USER MOD reduce.3.24.130724 H: found=0, std=0, add=283, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 281 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 THR N :NH3+ 178:sc= -0.156 (180deg=-0.175) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0466 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-3.6!) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -45:sc= 0.851 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -61:sc= 0.105 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.795 K(o=-0.79,f=-3.3!) USER MOD Single : A 24 TYR OH : rot 150:sc=-0.00813 USER MOD Single : A 25 ASN : amide:sc= -0.0941 X(o=-0.094,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -152:sc= -1.47 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -0.915 26.544 8.720 1.00 0.00 N ATOM 2 CA THR A 1 -0.369 25.509 7.857 1.00 0.00 C ATOM 3 C THR A 1 -1.097 24.183 8.089 1.00 0.00 C ATOM 4 O THR A 1 -0.799 23.185 7.435 1.00 0.00 O ATOM 5 CB THR A 1 1.137 25.428 8.111 1.00 0.00 C ATOM 6 OG1 THR A 1 1.603 26.751 7.863 1.00 0.00 O ATOM 7 CG2 THR A 1 1.862 24.576 7.068 1.00 0.00 C ATOM 0 H1 THR A 1 -0.389 27.429 8.576 1.00 0.00 H new ATOM 0 H2 THR A 1 -1.918 26.695 8.489 1.00 0.00 H new ATOM 0 H3 THR A 1 -0.830 26.248 9.713 1.00 0.00 H new ATOM 0 HA THR A 1 -0.523 25.749 6.805 1.00 0.00 H new ATOM 0 HB THR A 1 1.315 25.015 9.104 1.00 0.00 H new ATOM 0 HG1 THR A 1 2.572 26.789 8.006 1.00 0.00 H new ATOM 0 HG21 THR A 1 2.928 24.552 7.295 1.00 0.00 H new ATOM 0 HG22 THR A 1 1.464 23.561 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 1 1.712 25.007 6.078 1.00 0.00 H new ATOM 15 N SER A 2 -2.037 24.216 9.022 1.00 0.00 N ATOM 16 CA SER A 2 -2.810 23.030 9.348 1.00 0.00 C ATOM 17 C SER A 2 -3.754 22.687 8.194 1.00 0.00 C ATOM 18 O SER A 2 -4.378 21.627 8.192 1.00 0.00 O ATOM 19 CB SER A 2 -3.602 23.227 10.642 1.00 0.00 C ATOM 20 OG SER A 2 -3.890 21.988 11.285 1.00 0.00 O ATOM 0 H SER A 2 -2.281 25.046 9.563 1.00 0.00 H new ATOM 0 HA SER A 2 -2.118 22.202 9.501 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.035 23.865 11.321 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.535 23.746 10.421 1.00 0.00 H new ATOM 0 HG SER A 2 -4.395 22.156 12.108 1.00 0.00 H new ATOM 26 N SER A 3 -3.830 23.604 7.241 1.00 0.00 N ATOM 27 CA SER A 3 -4.688 23.412 6.085 1.00 0.00 C ATOM 28 C SER A 3 -3.995 22.508 5.063 1.00 0.00 C ATOM 29 O SER A 3 -4.611 22.083 4.087 1.00 0.00 O ATOM 30 CB SER A 3 -5.056 24.752 5.444 1.00 0.00 C ATOM 31 OG SER A 3 -6.328 25.222 5.882 1.00 0.00 O ATOM 0 H SER A 3 -3.311 24.482 7.246 1.00 0.00 H new ATOM 0 HA SER A 3 -5.609 22.934 6.418 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.293 25.492 5.687 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.063 24.645 4.359 1.00 0.00 H new ATOM 0 HG SER A 3 -6.526 26.080 5.452 1.00 0.00 H new ATOM 37 N ILE A 4 -2.724 22.241 5.324 1.00 0.00 N ATOM 38 CA ILE A 4 -1.941 21.395 4.439 1.00 0.00 C ATOM 39 C ILE A 4 -1.774 20.014 5.077 1.00 0.00 C ATOM 40 O ILE A 4 -2.019 18.995 4.434 1.00 0.00 O ATOM 41 CB ILE A 4 -0.616 22.072 4.084 1.00 0.00 C ATOM 42 CG1 ILE A 4 -0.855 23.388 3.340 1.00 0.00 C ATOM 43 CG2 ILE A 4 0.290 21.125 3.296 1.00 0.00 C ATOM 44 CD1 ILE A 4 0.304 24.362 3.562 1.00 0.00 C ATOM 0 H ILE A 4 -2.217 22.595 6.135 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.462 21.249 3.492 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.098 22.316 5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.970 23.191 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.785 23.840 3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.225 21.631 3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.500 20.239 3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.209 20.828 2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.109 25.289 3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.401 24.575 4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.229 23.917 3.195 1.00 0.00 H new ATOM 56 N VAL A 5 -1.357 20.025 6.335 1.00 0.00 N ATOM 57 CA VAL A 5 -1.155 18.787 7.067 1.00 0.00 C ATOM 58 C VAL A 5 -2.398 17.907 6.926 1.00 0.00 C ATOM 59 O VAL A 5 -2.294 16.728 6.589 1.00 0.00 O ATOM 60 CB VAL A 5 -0.800 19.092 8.524 1.00 0.00 C ATOM 61 CG1 VAL A 5 -0.826 17.819 9.373 1.00 0.00 C ATOM 62 CG2 VAL A 5 0.558 19.790 8.623 1.00 0.00 C ATOM 0 H VAL A 5 -1.154 20.872 6.865 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.315 18.231 6.652 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.555 19.772 8.917 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.570 18.064 10.404 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.823 17.381 9.341 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.103 17.104 8.980 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.786 19.995 9.669 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.330 19.145 8.203 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.527 20.727 8.068 1.00 0.00 H new ATOM 72 N HIS A 6 -3.546 18.513 7.191 1.00 0.00 N ATOM 73 CA HIS A 6 -4.809 17.799 7.098 1.00 0.00 C ATOM 74 C HIS A 6 -4.853 17.002 5.793 1.00 0.00 C ATOM 75 O HIS A 6 -5.146 15.808 5.800 1.00 0.00 O ATOM 76 CB HIS A 6 -5.989 18.761 7.246 1.00 0.00 C ATOM 77 CG HIS A 6 -7.314 18.076 7.480 1.00 0.00 C ATOM 78 ND1 HIS A 6 -7.494 17.101 8.446 1.00 0.00 N ATOM 79 CD2 HIS A 6 -8.521 18.236 6.865 1.00 0.00 C ATOM 80 CE1 HIS A 6 -8.755 16.699 8.404 1.00 0.00 C ATOM 81 NE2 HIS A 6 -9.390 17.403 7.424 1.00 0.00 N ATOM 0 H HIS A 6 -3.628 19.491 7.470 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.890 17.088 7.920 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.790 19.439 8.076 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.061 19.372 6.346 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.733 18.924 6.060 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.202 15.945 9.035 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -10.371 17.306 7.163 1.00 0.00 H new ATOM 90 N LEU A 7 -4.556 17.696 4.704 1.00 0.00 N ATOM 91 CA LEU A 7 -4.558 17.068 3.393 1.00 0.00 C ATOM 92 C LEU A 7 -3.656 15.832 3.423 1.00 0.00 C ATOM 93 O LEU A 7 -4.085 14.737 3.063 1.00 0.00 O ATOM 94 CB LEU A 7 -4.177 18.082 2.313 1.00 0.00 C ATOM 95 CG LEU A 7 -5.162 19.233 2.095 1.00 0.00 C ATOM 96 CD1 LEU A 7 -4.466 20.436 1.456 1.00 0.00 C ATOM 97 CD2 LEU A 7 -6.373 18.772 1.282 1.00 0.00 C ATOM 0 H LEU A 7 -4.312 18.686 4.702 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.560 16.725 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.205 18.505 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.056 17.550 1.369 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.532 19.555 3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.188 21.240 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.664 20.781 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.049 20.145 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.057 19.609 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.041 18.408 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.885 17.970 1.814 1.00 0.00 H new ATOM 109 N CYS A 8 -2.423 16.050 3.856 1.00 0.00 N ATOM 110 CA CYS A 8 -1.457 14.968 3.938 1.00 0.00 C ATOM 111 C CYS A 8 -2.053 13.856 4.804 1.00 0.00 C ATOM 112 O CYS A 8 -2.198 12.722 4.351 1.00 0.00 O ATOM 113 CB CYS A 8 -0.110 15.452 4.478 1.00 0.00 C ATOM 114 SG CYS A 8 1.245 14.439 3.780 1.00 0.00 S ATOM 0 H CYS A 8 -2.071 16.960 4.154 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.256 14.581 2.939 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.039 16.501 4.220 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.100 15.387 5.566 1.00 0.00 H new ATOM 0 HG CYS A 8 2.384 14.860 4.243 1.00 0.00 H new ATOM 120 N ALA A 9 -2.382 14.220 6.034 1.00 0.00 N ATOM 121 CA ALA A 9 -2.959 13.268 6.968 1.00 0.00 C ATOM 122 C ALA A 9 -3.969 12.386 6.231 1.00 0.00 C ATOM 123 O ALA A 9 -3.781 11.174 6.128 1.00 0.00 O ATOM 124 CB ALA A 9 -3.589 14.020 8.141 1.00 0.00 C ATOM 0 H ALA A 9 -2.260 15.162 6.406 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.187 12.616 7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.022 13.305 8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.825 14.608 8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.371 14.683 7.770 1.00 0.00 H new ATOM 130 N ILE A 10 -5.017 13.027 5.737 1.00 0.00 N ATOM 131 CA ILE A 10 -6.056 12.316 5.012 1.00 0.00 C ATOM 132 C ILE A 10 -5.411 11.398 3.972 1.00 0.00 C ATOM 133 O ILE A 10 -5.839 10.259 3.793 1.00 0.00 O ATOM 134 CB ILE A 10 -7.067 13.301 4.420 1.00 0.00 C ATOM 135 CG1 ILE A 10 -7.903 13.957 5.521 1.00 0.00 C ATOM 136 CG2 ILE A 10 -7.941 12.622 3.364 1.00 0.00 C ATOM 137 CD1 ILE A 10 -8.309 15.379 5.128 1.00 0.00 C ATOM 0 H ILE A 10 -5.169 14.032 5.824 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.625 11.680 5.690 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.515 14.096 3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.795 13.360 5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.333 13.981 6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.650 13.344 2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.311 12.243 2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.485 11.795 3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.902 15.822 5.928 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.415 15.980 4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.900 15.349 4.212 1.00 0.00 H new ATOM 149 N SER A 11 -4.390 11.929 3.314 1.00 0.00 N ATOM 150 CA SER A 11 -3.681 11.171 2.297 1.00 0.00 C ATOM 151 C SER A 11 -2.469 10.473 2.915 1.00 0.00 C ATOM 152 O SER A 11 -1.380 10.489 2.342 1.00 0.00 O ATOM 153 CB SER A 11 -3.242 12.075 1.143 1.00 0.00 C ATOM 154 OG SER A 11 -2.519 11.357 0.147 1.00 0.00 O ATOM 0 H SER A 11 -4.037 12.874 3.465 1.00 0.00 H new ATOM 0 HA SER A 11 -4.360 10.418 1.896 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.119 12.538 0.691 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.620 12.882 1.531 1.00 0.00 H new ATOM 0 HG SER A 11 -1.859 10.775 0.578 1.00 0.00 H new ATOM 160 N LEU A 12 -2.697 9.875 4.075 1.00 0.00 N ATOM 161 CA LEU A 12 -1.637 9.172 4.777 1.00 0.00 C ATOM 162 C LEU A 12 -2.206 7.901 5.409 1.00 0.00 C ATOM 163 O LEU A 12 -1.704 6.804 5.166 1.00 0.00 O ATOM 164 CB LEU A 12 -0.949 10.102 5.778 1.00 0.00 C ATOM 165 CG LEU A 12 0.567 9.945 5.907 1.00 0.00 C ATOM 166 CD1 LEU A 12 1.184 11.146 6.627 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.926 8.623 6.588 1.00 0.00 C ATOM 0 H LEU A 12 -3.601 9.863 4.547 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.859 8.861 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.165 11.132 5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.396 9.941 6.759 1.00 0.00 H new ATOM 0 HG LEU A 12 0.993 9.917 4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.262 11.009 6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.974 12.055 6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.756 11.231 7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.010 8.537 6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.486 8.596 7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.538 7.793 5.998 1.00 0.00 H new ATOM 179 N ILE A 13 -3.246 8.089 6.208 1.00 0.00 N ATOM 180 CA ILE A 13 -3.888 6.971 6.877 1.00 0.00 C ATOM 181 C ILE A 13 -4.345 5.951 5.832 1.00 0.00 C ATOM 182 O ILE A 13 -3.787 4.859 5.740 1.00 0.00 O ATOM 183 CB ILE A 13 -5.015 7.466 7.786 1.00 0.00 C ATOM 184 CG1 ILE A 13 -4.453 8.178 9.018 1.00 0.00 C ATOM 185 CG2 ILE A 13 -5.956 6.321 8.166 1.00 0.00 C ATOM 186 CD1 ILE A 13 -5.079 9.564 9.184 1.00 0.00 C ATOM 0 H ILE A 13 -3.660 9.000 6.407 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.181 6.462 7.532 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.604 8.197 7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.646 7.579 9.908 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.371 8.272 8.926 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.748 6.700 8.812 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.396 5.897 7.263 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.395 5.549 8.693 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.662 10.048 10.067 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.864 10.168 8.303 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.158 9.464 9.300 1.00 0.00 H new ATOM 198 N ARG A 14 -5.355 6.343 5.070 1.00 0.00 N ATOM 199 CA ARG A 14 -5.893 5.477 4.035 1.00 0.00 C ATOM 200 C ARG A 14 -4.757 4.858 3.218 1.00 0.00 C ATOM 201 O ARG A 14 -4.900 3.761 2.681 1.00 0.00 O ATOM 202 CB ARG A 14 -6.823 6.250 3.098 1.00 0.00 C ATOM 203 CG ARG A 14 -8.110 6.659 3.817 1.00 0.00 C ATOM 204 CD ARG A 14 -8.753 7.873 3.144 1.00 0.00 C ATOM 205 NE ARG A 14 -10.200 7.636 2.947 1.00 0.00 N ATOM 206 CZ ARG A 14 -10.704 6.710 2.119 1.00 0.00 C ATOM 207 NH1 ARG A 14 -9.881 5.930 1.406 1.00 0.00 N ATOM 208 NH2 ARG A 14 -12.031 6.565 2.005 1.00 0.00 N ATOM 0 H ARG A 14 -5.815 7.250 5.149 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.464 4.689 4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.313 7.138 2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.066 5.634 2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.812 5.825 3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.890 6.891 4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.602 8.761 3.757 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.273 8.063 2.184 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.855 8.213 3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.871 6.041 1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.265 5.225 0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -12.657 7.159 2.548 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.415 5.861 1.375 1.00 0.00 H new ATOM 222 N TYR A 15 -3.654 5.588 3.150 1.00 0.00 N ATOM 223 CA TYR A 15 -2.494 5.125 2.408 1.00 0.00 C ATOM 224 C TYR A 15 -1.315 4.853 3.345 1.00 0.00 C ATOM 225 O TYR A 15 -0.162 5.068 2.976 1.00 0.00 O ATOM 226 CB TYR A 15 -2.121 6.262 1.455 1.00 0.00 C ATOM 227 CG TYR A 15 -3.123 6.477 0.319 1.00 0.00 C ATOM 228 CD1 TYR A 15 -4.201 7.319 0.501 1.00 0.00 C ATOM 229 CD2 TYR A 15 -2.949 5.828 -0.887 1.00 0.00 C ATOM 230 CE1 TYR A 15 -5.145 7.521 -0.568 1.00 0.00 C ATOM 231 CE2 TYR A 15 -3.893 6.030 -1.956 1.00 0.00 C ATOM 232 CZ TYR A 15 -4.944 6.867 -1.743 1.00 0.00 C ATOM 233 OH TYR A 15 -5.836 7.057 -2.753 1.00 0.00 O ATOM 0 H TYR A 15 -3.539 6.498 3.597 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.720 4.197 1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.031 7.186 2.026 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.140 6.056 1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.337 7.826 1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.105 5.169 -1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.993 8.177 -0.439 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.769 5.529 -2.905 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.565 6.528 -3.532 1.00 0.00 H new ATOM 243 N TRP A 16 -1.646 4.385 4.539 1.00 0.00 N ATOM 244 CA TRP A 16 -0.630 4.082 5.532 1.00 0.00 C ATOM 245 C TRP A 16 -0.081 2.685 5.236 1.00 0.00 C ATOM 246 O TRP A 16 1.118 2.444 5.368 1.00 0.00 O ATOM 247 CB TRP A 16 -1.191 4.216 6.950 1.00 0.00 C ATOM 248 CG TRP A 16 -1.789 2.923 7.507 1.00 0.00 C ATOM 249 CD1 TRP A 16 -2.983 2.380 7.231 1.00 0.00 C ATOM 250 CD2 TRP A 16 -1.169 2.027 8.453 1.00 0.00 C ATOM 251 NE1 TRP A 16 -3.177 1.205 7.927 1.00 0.00 N ATOM 252 CE2 TRP A 16 -2.039 0.983 8.694 1.00 0.00 C ATOM 253 CE3 TRP A 16 0.085 2.096 9.085 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -1.749 -0.070 9.569 1.00 0.00 C ATOM 255 CZ3 TRP A 16 0.360 1.036 9.957 1.00 0.00 C ATOM 256 CH2 TRP A 16 -0.505 -0.023 10.210 1.00 0.00 C ATOM 0 H TRP A 16 -2.604 4.208 4.841 1.00 0.00 H new ATOM 0 HA TRP A 16 0.190 4.798 5.475 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.395 4.552 7.614 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -1.958 4.990 6.955 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -3.703 2.809 6.549 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.003 0.609 7.886 1.00 0.00 H new ATOM 0 HE3 TRP A 16 0.781 2.903 8.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -2.447 -0.876 9.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 1.311 1.041 10.469 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -0.219 -0.805 10.897 1.00 0.00 H new ATOM 267 N SER A 17 -0.985 1.800 4.842 1.00 0.00 N ATOM 268 CA SER A 17 -0.607 0.433 4.526 1.00 0.00 C ATOM 269 C SER A 17 0.222 0.403 3.240 1.00 0.00 C ATOM 270 O SER A 17 -0.169 -0.230 2.261 1.00 0.00 O ATOM 271 CB SER A 17 -1.840 -0.461 4.384 1.00 0.00 C ATOM 272 OG SER A 17 -1.490 -1.833 4.229 1.00 0.00 O ATOM 0 H SER A 17 -1.979 2.003 4.734 1.00 0.00 H new ATOM 0 HA SER A 17 -0.005 0.046 5.348 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.474 -0.346 5.263 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.426 -0.137 3.524 1.00 0.00 H new ATOM 0 HG SER A 17 -0.948 -1.943 3.420 1.00 0.00 H new ATOM 278 N ILE A 18 1.350 1.096 3.286 1.00 0.00 N ATOM 279 CA ILE A 18 2.237 1.157 2.136 1.00 0.00 C ATOM 280 C ILE A 18 3.633 1.582 2.597 1.00 0.00 C ATOM 281 O ILE A 18 4.633 1.002 2.176 1.00 0.00 O ATOM 282 CB ILE A 18 1.647 2.058 1.051 1.00 0.00 C ATOM 283 CG1 ILE A 18 0.622 1.299 0.205 1.00 0.00 C ATOM 284 CG2 ILE A 18 2.751 2.679 0.193 1.00 0.00 C ATOM 285 CD1 ILE A 18 -0.806 1.672 0.608 1.00 0.00 C ATOM 0 H ILE A 18 1.670 1.620 4.101 1.00 0.00 H new ATOM 0 HA ILE A 18 2.337 0.172 1.679 1.00 0.00 H new ATOM 0 HB ILE A 18 1.119 2.878 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.777 1.525 -0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.769 0.226 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.304 3.315 -0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.409 3.277 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.328 1.888 -0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.514 1.119 -0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.965 1.422 1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.957 2.742 0.463 1.00 0.00 H new ATOM 297 N THR A 19 3.657 2.591 3.455 1.00 0.00 N ATOM 298 CA THR A 19 4.913 3.101 3.977 1.00 0.00 C ATOM 299 C THR A 19 5.526 2.102 4.961 1.00 0.00 C ATOM 300 O THR A 19 6.671 1.683 4.794 1.00 0.00 O ATOM 301 CB THR A 19 4.646 4.475 4.594 1.00 0.00 C ATOM 302 OG1 THR A 19 4.715 5.371 3.488 1.00 0.00 O ATOM 303 CG2 THR A 19 5.778 4.933 5.516 1.00 0.00 C ATOM 0 H THR A 19 2.826 3.069 3.802 1.00 0.00 H new ATOM 0 HA THR A 19 5.650 3.223 3.184 1.00 0.00 H new ATOM 0 HB THR A 19 3.711 4.446 5.154 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.552 6.286 3.798 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.538 5.913 5.927 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.897 4.217 6.330 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.707 4.995 4.949 1.00 0.00 H new ATOM 311 N GLN A 20 4.737 1.748 5.965 1.00 0.00 N ATOM 312 CA GLN A 20 5.187 0.807 6.975 1.00 0.00 C ATOM 313 C GLN A 20 5.742 -0.457 6.314 1.00 0.00 C ATOM 314 O GLN A 20 6.520 -1.190 6.922 1.00 0.00 O ATOM 315 CB GLN A 20 4.058 0.465 7.949 1.00 0.00 C ATOM 316 CG GLN A 20 4.592 0.309 9.374 1.00 0.00 C ATOM 317 CD GLN A 20 5.142 1.636 9.902 1.00 0.00 C ATOM 318 OE1 GLN A 20 5.160 2.646 9.219 1.00 0.00 O ATOM 319 NE2 GLN A 20 5.587 1.577 11.154 1.00 0.00 N ATOM 0 H GLN A 20 3.788 2.097 6.100 1.00 0.00 H new ATOM 0 HA GLN A 20 5.987 1.276 7.548 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.301 1.249 7.924 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.570 -0.458 7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.795 -0.044 10.028 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.377 -0.447 9.391 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.543 0.698 11.670 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.973 2.410 11.598 1.00 0.00 H new ATOM 328 N ALA A 21 5.319 -0.672 5.077 1.00 0.00 N ATOM 329 CA ALA A 21 5.764 -1.835 4.326 1.00 0.00 C ATOM 330 C ALA A 21 6.781 -1.396 3.271 1.00 0.00 C ATOM 331 O ALA A 21 6.562 -1.587 2.075 1.00 0.00 O ATOM 332 CB ALA A 21 4.553 -2.539 3.711 1.00 0.00 C ATOM 0 H ALA A 21 4.674 -0.062 4.576 1.00 0.00 H new ATOM 0 HA ALA A 21 6.258 -2.551 4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.886 -3.411 3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.875 -2.856 4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.034 -1.852 3.043 1.00 0.00 H new ATOM 338 N ILE A 22 7.872 -0.817 3.751 1.00 0.00 N ATOM 339 CA ILE A 22 8.924 -0.350 2.864 1.00 0.00 C ATOM 340 C ILE A 22 10.245 -1.017 3.252 1.00 0.00 C ATOM 341 O ILE A 22 10.901 -1.636 2.415 1.00 0.00 O ATOM 342 CB ILE A 22 8.983 1.179 2.862 1.00 0.00 C ATOM 343 CG1 ILE A 22 7.902 1.769 1.955 1.00 0.00 C ATOM 344 CG2 ILE A 22 10.381 1.672 2.483 1.00 0.00 C ATOM 345 CD1 ILE A 22 7.798 3.284 2.139 1.00 0.00 C ATOM 0 H ILE A 22 8.050 -0.661 4.743 1.00 0.00 H new ATOM 0 HA ILE A 22 8.712 -0.639 1.835 1.00 0.00 H new ATOM 0 HB ILE A 22 8.780 1.530 3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.131 1.541 0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.941 1.305 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 22 10.396 2.762 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.107 1.295 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.636 1.311 1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.022 3.678 1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.545 3.508 3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.753 3.747 1.891 1.00 0.00 H new ATOM 357 N GLU A 23 10.596 -0.868 4.520 1.00 0.00 N ATOM 358 CA GLU A 23 11.828 -1.447 5.029 1.00 0.00 C ATOM 359 C GLU A 23 11.562 -2.844 5.596 1.00 0.00 C ATOM 360 O GLU A 23 12.140 -3.826 5.132 1.00 0.00 O ATOM 361 CB GLU A 23 12.467 -0.540 6.082 1.00 0.00 C ATOM 362 CG GLU A 23 13.969 -0.809 6.199 1.00 0.00 C ATOM 363 CD GLU A 23 14.704 0.415 6.748 1.00 0.00 C ATOM 364 OE1 GLU A 23 14.477 0.728 7.937 1.00 0.00 O ATOM 365 OE2 GLU A 23 15.476 1.010 5.966 1.00 0.00 O ATOM 0 H GLU A 23 10.049 -0.355 5.211 1.00 0.00 H new ATOM 0 HA GLU A 23 12.532 -1.539 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.301 0.504 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.988 -0.704 7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.139 -1.664 6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.372 -1.071 5.221 1.00 0.00 H new ATOM 372 N TYR A 24 10.689 -2.887 6.591 1.00 0.00 N ATOM 373 CA TYR A 24 10.340 -4.146 7.226 1.00 0.00 C ATOM 374 C TYR A 24 10.263 -5.277 6.197 1.00 0.00 C ATOM 375 O TYR A 24 10.850 -6.340 6.393 1.00 0.00 O ATOM 376 CB TYR A 24 8.955 -3.939 7.842 1.00 0.00 C ATOM 377 CG TYR A 24 8.931 -4.043 9.368 1.00 0.00 C ATOM 378 CD1 TYR A 24 9.614 -3.120 10.134 1.00 0.00 C ATOM 379 CD2 TYR A 24 8.225 -5.060 9.980 1.00 0.00 C ATOM 380 CE1 TYR A 24 9.591 -3.218 11.570 1.00 0.00 C ATOM 381 CE2 TYR A 24 8.203 -5.157 11.416 1.00 0.00 C ATOM 382 CZ TYR A 24 8.887 -4.232 12.140 1.00 0.00 C ATOM 383 OH TYR A 24 8.865 -4.324 13.497 1.00 0.00 O ATOM 0 H TYR A 24 10.213 -2.070 6.973 1.00 0.00 H new ATOM 0 HA TYR A 24 11.090 -4.422 7.967 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.581 -2.958 7.549 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.270 -4.678 7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.166 -2.324 9.656 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.690 -5.782 9.381 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.121 -2.502 12.181 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.655 -5.947 11.907 1.00 0.00 H new ATOM 0 HH TYR A 24 8.019 -4.727 13.784 1.00 0.00 H new ATOM 393 N ASN A 25 9.535 -5.008 5.124 1.00 0.00 N ATOM 394 CA ASN A 25 9.373 -5.989 4.064 1.00 0.00 C ATOM 395 C ASN A 25 10.752 -6.409 3.550 1.00 0.00 C ATOM 396 O ASN A 25 11.134 -7.572 3.665 1.00 0.00 O ATOM 397 CB ASN A 25 8.588 -5.405 2.888 1.00 0.00 C ATOM 398 CG ASN A 25 7.828 -6.502 2.139 1.00 0.00 C ATOM 399 OD1 ASN A 25 8.080 -6.786 0.979 1.00 0.00 O ATOM 400 ND2 ASN A 25 6.886 -7.099 2.863 1.00 0.00 N ATOM 0 H ASN A 25 9.050 -4.125 4.965 1.00 0.00 H new ATOM 0 HA ASN A 25 8.829 -6.841 4.473 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.886 -4.654 3.251 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.271 -4.899 2.205 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.322 -7.844 2.452 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.727 -6.812 3.829 1.00 0.00 H new ATOM 407 N LEU A 26 11.461 -5.438 2.992 1.00 0.00 N ATOM 408 CA LEU A 26 12.789 -5.692 2.460 1.00 0.00 C ATOM 409 C LEU A 26 13.585 -6.529 3.464 1.00 0.00 C ATOM 410 O LEU A 26 13.968 -7.660 3.168 1.00 0.00 O ATOM 411 CB LEU A 26 13.472 -4.378 2.076 1.00 0.00 C ATOM 412 CG LEU A 26 14.994 -4.433 1.926 1.00 0.00 C ATOM 413 CD1 LEU A 26 15.391 -5.013 0.567 1.00 0.00 C ATOM 414 CD2 LEU A 26 15.618 -3.057 2.166 1.00 0.00 C ATOM 0 H LEU A 26 11.141 -4.474 2.897 1.00 0.00 H new ATOM 0 HA LEU A 26 12.726 -6.273 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.046 -4.032 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.228 -3.630 2.831 1.00 0.00 H new ATOM 0 HG LEU A 26 15.388 -5.104 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.478 -5.041 0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.994 -6.024 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.984 -4.388 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.700 -3.124 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.221 -2.346 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.378 -2.720 3.174 1.00 0.00 H new ATOM 426 N LYS A 27 13.809 -5.940 4.629 1.00 0.00 N ATOM 427 CA LYS A 27 14.552 -6.618 5.678 1.00 0.00 C ATOM 428 C LYS A 27 13.573 -7.340 6.606 1.00 0.00 C ATOM 429 O LYS A 27 13.404 -6.951 7.760 1.00 0.00 O ATOM 430 CB LYS A 27 15.474 -5.634 6.403 1.00 0.00 C ATOM 431 CG LYS A 27 16.171 -6.307 7.587 1.00 0.00 C ATOM 432 CD LYS A 27 16.060 -5.449 8.848 1.00 0.00 C ATOM 433 CE LYS A 27 17.092 -5.875 9.894 1.00 0.00 C ATOM 434 NZ LYS A 27 16.640 -5.499 11.252 1.00 0.00 N ATOM 0 H LYS A 27 13.490 -5.002 4.870 1.00 0.00 H new ATOM 0 HA LYS A 27 15.206 -7.378 5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.220 -5.249 5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.896 -4.780 6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.725 -7.285 7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.221 -6.475 7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.208 -4.400 8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.057 -5.537 9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.248 -6.953 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.051 -5.403 9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.352 -5.796 11.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.514 -4.468 11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.736 -5.969 11.459 1.00 0.00 H new ATOM 448 N ARG A 28 12.955 -8.381 6.066 1.00 0.00 N ATOM 449 CA ARG A 28 11.998 -9.161 6.831 1.00 0.00 C ATOM 450 C ARG A 28 12.559 -9.477 8.219 1.00 0.00 C ATOM 451 O ARG A 28 13.636 -10.059 8.340 1.00 0.00 O ATOM 452 CB ARG A 28 11.658 -10.470 6.116 1.00 0.00 C ATOM 453 CG ARG A 28 10.204 -10.873 6.371 1.00 0.00 C ATOM 454 CD ARG A 28 9.450 -11.069 5.054 1.00 0.00 C ATOM 455 NE ARG A 28 10.021 -12.213 4.309 1.00 0.00 N ATOM 456 CZ ARG A 28 9.427 -12.797 3.259 1.00 0.00 C ATOM 457 NH1 ARG A 28 8.241 -12.349 2.826 1.00 0.00 N ATOM 458 NH2 ARG A 28 10.019 -13.830 2.644 1.00 0.00 N ATOM 0 H ARG A 28 13.099 -8.702 5.108 1.00 0.00 H new ATOM 0 HA ARG A 28 11.089 -8.567 6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.825 -10.357 5.045 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.324 -11.261 6.461 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.175 -11.795 6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.709 -10.106 6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.393 -11.245 5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.514 -10.163 4.451 1.00 0.00 H new ATOM 0 HE ARG A 28 10.923 -12.580 4.613 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.790 -11.564 3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.789 -12.793 2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.921 -14.172 2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.567 -14.275 1.845 1.00 0.00 H new ATOM 472 N THR A 29 11.802 -9.081 9.232 1.00 0.00 N ATOM 473 CA THR A 29 12.211 -9.314 10.607 1.00 0.00 C ATOM 474 C THR A 29 11.015 -9.766 11.449 1.00 0.00 C ATOM 475 O THR A 29 9.870 -9.454 11.125 1.00 0.00 O ATOM 476 CB THR A 29 12.872 -8.037 11.127 1.00 0.00 C ATOM 477 OG1 THR A 29 12.637 -8.072 12.532 1.00 0.00 O ATOM 478 CG2 THR A 29 12.151 -6.771 10.660 1.00 0.00 C ATOM 0 H THR A 29 10.908 -8.601 9.128 1.00 0.00 H new ATOM 0 HA THR A 29 12.939 -10.123 10.672 1.00 0.00 H new ATOM 0 HB THR A 29 13.910 -8.006 10.796 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.614 -7.157 12.883 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.662 -5.894 11.058 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.155 -6.731 9.571 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.122 -6.785 11.019 1.00 0.00 H new ATOM 486 N PRO A 30 11.331 -10.512 12.541 1.00 0.00 N ATOM 487 CA PRO A 30 10.296 -11.009 13.432 1.00 0.00 C ATOM 488 C PRO A 30 9.746 -9.886 14.314 1.00 0.00 C ATOM 489 O PRO A 30 9.993 -9.861 15.519 1.00 0.00 O ATOM 490 CB PRO A 30 10.963 -12.118 14.229 1.00 0.00 C ATOM 491 CG PRO A 30 12.460 -11.891 14.088 1.00 0.00 C ATOM 492 CD PRO A 30 12.676 -10.900 12.956 1.00 0.00 C ATOM 0 HA PRO A 30 9.426 -11.389 12.896 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.660 -12.084 15.275 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.679 -13.099 13.847 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.877 -11.505 15.018 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.970 -12.830 13.876 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.252 -10.037 13.290 1.00 0.00 H new ATOM 0 HD3 PRO A 30 13.229 -11.353 12.133 1.00 0.00 H new ATOM 500 N ARG A 31 9.010 -8.985 13.680 1.00 0.00 N ATOM 501 CA ARG A 31 8.423 -7.863 14.392 1.00 0.00 C ATOM 502 C ARG A 31 9.417 -7.304 15.413 1.00 0.00 C ATOM 503 O ARG A 31 9.376 -7.667 16.588 1.00 0.00 O ATOM 504 CB ARG A 31 7.140 -8.280 15.115 1.00 0.00 C ATOM 505 CG ARG A 31 6.552 -7.110 15.905 1.00 0.00 C ATOM 506 CD ARG A 31 5.087 -7.371 16.262 1.00 0.00 C ATOM 507 NE ARG A 31 4.993 -7.957 17.618 1.00 0.00 N ATOM 508 CZ ARG A 31 5.114 -9.265 17.881 1.00 0.00 C ATOM 509 NH1 ARG A 31 5.334 -10.131 16.883 1.00 0.00 N ATOM 510 NH2 ARG A 31 5.014 -9.707 19.142 1.00 0.00 N ATOM 0 H ARG A 31 8.807 -9.009 12.681 1.00 0.00 H new ATOM 0 HA ARG A 31 8.180 -7.095 13.658 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.409 -8.638 14.390 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.352 -9.109 15.790 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.130 -6.955 16.816 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.630 -6.195 15.318 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.522 -6.440 16.219 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.641 -8.048 15.533 1.00 0.00 H new ATOM 0 HE ARG A 31 4.826 -7.325 18.401 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.409 -9.794 15.923 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.426 -11.127 17.083 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.846 -9.048 19.902 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.106 -10.703 19.342 1.00 0.00 H new ATOM 524 N ARG A 32 10.285 -6.429 14.928 1.00 0.00 N ATOM 525 CA ARG A 32 11.287 -5.817 15.783 1.00 0.00 C ATOM 526 C ARG A 32 12.160 -4.855 14.974 1.00 0.00 C ATOM 527 O ARG A 32 12.528 -5.151 13.839 1.00 0.00 O ATOM 528 CB ARG A 32 12.178 -6.877 16.435 1.00 0.00 C ATOM 529 CG ARG A 32 12.452 -6.536 17.901 1.00 0.00 C ATOM 530 CD ARG A 32 13.754 -7.181 18.380 1.00 0.00 C ATOM 531 NE ARG A 32 13.482 -8.088 19.517 1.00 0.00 N ATOM 532 CZ ARG A 32 13.381 -7.686 20.791 1.00 0.00 C ATOM 533 NH1 ARG A 32 13.529 -6.391 21.098 1.00 0.00 N ATOM 534 NH2 ARG A 32 13.132 -8.580 21.758 1.00 0.00 N ATOM 0 H ARG A 32 10.315 -6.129 13.954 1.00 0.00 H new ATOM 0 HA ARG A 32 10.763 -5.268 16.565 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.697 -7.853 16.369 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.121 -6.949 15.892 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.512 -5.454 18.021 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.623 -6.880 18.519 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.216 -7.736 17.564 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.462 -6.409 18.681 1.00 0.00 H new ATOM 0 HE ARG A 32 13.364 -9.081 19.318 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.719 -5.711 20.362 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.452 -6.085 22.068 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.019 -9.566 21.524 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.055 -8.274 22.728 1.00 0.00 H new TER 548 ARG A 32