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+ -164:sc= 0 (180deg=-0.298) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 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= -0.581 X(o=-0.58,f=-0.92) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 16:sc= 0.0386 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -2.257 27.476 5.571 1.00 0.00 N ATOM 2 CA THR A 1 -1.203 26.477 5.565 1.00 0.00 C ATOM 3 C THR A 1 -1.634 25.242 6.359 1.00 0.00 C ATOM 4 O THR A 1 -1.313 24.115 5.984 1.00 0.00 O ATOM 5 CB THR A 1 0.071 27.131 6.103 1.00 0.00 C ATOM 6 OG1 THR A 1 0.446 28.053 5.083 1.00 0.00 O ATOM 7 CG2 THR A 1 1.247 26.153 6.172 1.00 0.00 C ATOM 0 H1 THR A 1 -2.075 28.177 4.824 1.00 0.00 H new ATOM 0 H2 THR A 1 -3.173 27.015 5.398 1.00 0.00 H new ATOM 0 H3 THR A 1 -2.279 27.952 6.495 1.00 0.00 H new ATOM 0 HA THR A 1 -1.001 26.121 4.555 1.00 0.00 H new ATOM 0 HB THR A 1 -0.122 27.538 7.096 1.00 0.00 H new ATOM 0 HG1 THR A 1 1.263 28.523 5.351 1.00 0.00 H new ATOM 0 HG21 THR A 1 2.126 26.668 6.560 1.00 0.00 H new ATOM 0 HG22 THR A 1 0.992 25.323 6.831 1.00 0.00 H new ATOM 0 HG23 THR A 1 1.462 25.771 5.174 1.00 0.00 H new ATOM 15 N SER A 2 -2.355 25.496 7.441 1.00 0.00 N ATOM 16 CA SER A 2 -2.834 24.419 8.291 1.00 0.00 C ATOM 17 C SER A 2 -3.876 23.585 7.542 1.00 0.00 C ATOM 18 O SER A 2 -4.276 22.520 8.009 1.00 0.00 O ATOM 19 CB SER A 2 -3.427 24.965 9.591 1.00 0.00 C ATOM 20 OG SER A 2 -2.611 24.660 10.719 1.00 0.00 O ATOM 0 H SER A 2 -2.619 26.432 7.749 1.00 0.00 H new ATOM 0 HA SER A 2 -1.986 23.784 8.549 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.545 26.046 9.510 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.422 24.546 9.740 1.00 0.00 H new ATOM 0 HG SER A 2 -3.023 25.027 11.529 1.00 0.00 H new ATOM 26 N SER A 3 -4.285 24.101 6.393 1.00 0.00 N ATOM 27 CA SER A 3 -5.272 23.417 5.575 1.00 0.00 C ATOM 28 C SER A 3 -4.610 22.277 4.798 1.00 0.00 C ATOM 29 O SER A 3 -5.289 21.367 4.326 1.00 0.00 O ATOM 30 CB SER A 3 -5.957 24.388 4.611 1.00 0.00 C ATOM 31 OG SER A 3 -7.333 24.070 4.420 1.00 0.00 O ATOM 0 H SER A 3 -3.951 24.985 6.009 1.00 0.00 H new ATOM 0 HA SER A 3 -6.035 23.003 6.235 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.870 25.404 4.997 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.443 24.367 3.650 1.00 0.00 H new ATOM 0 HG SER A 3 -7.734 24.714 3.800 1.00 0.00 H new ATOM 37 N ILE A 4 -3.292 22.365 4.691 1.00 0.00 N ATOM 38 CA ILE A 4 -2.531 21.352 3.980 1.00 0.00 C ATOM 39 C ILE A 4 -2.434 20.093 4.844 1.00 0.00 C ATOM 40 O ILE A 4 -2.832 19.010 4.416 1.00 0.00 O ATOM 41 CB ILE A 4 -1.172 21.908 3.548 1.00 0.00 C ATOM 42 CG1 ILE A 4 -1.342 23.093 2.596 1.00 0.00 C ATOM 43 CG2 ILE A 4 -0.297 20.808 2.944 1.00 0.00 C ATOM 44 CD1 ILE A 4 -1.882 22.633 1.240 1.00 0.00 C ATOM 0 H ILE A 4 -2.732 23.122 5.084 1.00 0.00 H new ATOM 0 HA ILE A 4 -3.041 21.069 3.059 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.657 22.279 4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.023 23.822 3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.384 23.595 2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.663 21.229 2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.135 20.025 3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.795 20.385 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.994 23.494 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.186 21.923 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.851 22.154 1.378 1.00 0.00 H new ATOM 56 N VAL A 5 -1.902 20.276 6.043 1.00 0.00 N ATOM 57 CA VAL A 5 -1.748 19.169 6.971 1.00 0.00 C ATOM 58 C VAL A 5 -3.071 18.406 7.073 1.00 0.00 C ATOM 59 O VAL A 5 -3.079 17.197 7.296 1.00 0.00 O ATOM 60 CB VAL A 5 -1.249 19.684 8.323 1.00 0.00 C ATOM 61 CG1 VAL A 5 -1.300 18.581 9.382 1.00 0.00 C ATOM 62 CG2 VAL A 5 0.161 20.263 8.202 1.00 0.00 C ATOM 0 H VAL A 5 -1.572 21.175 6.394 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.996 18.469 6.608 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.914 20.486 8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.940 18.973 10.333 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.327 18.235 9.497 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.669 17.748 9.071 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.492 20.622 9.177 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.843 19.489 7.850 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.155 21.091 7.493 1.00 0.00 H new ATOM 72 N HIS A 6 -4.158 19.146 6.904 1.00 0.00 N ATOM 73 CA HIS A 6 -5.483 18.554 6.974 1.00 0.00 C ATOM 74 C HIS A 6 -5.581 17.394 5.982 1.00 0.00 C ATOM 75 O HIS A 6 -5.752 16.244 6.381 1.00 0.00 O ATOM 76 CB HIS A 6 -6.563 19.615 6.755 1.00 0.00 C ATOM 77 CG HIS A 6 -7.851 19.071 6.182 1.00 0.00 C ATOM 78 ND1 HIS A 6 -8.467 17.933 6.672 1.00 0.00 N ATOM 79 CD2 HIS A 6 -8.631 19.521 5.158 1.00 0.00 C ATOM 80 CE1 HIS A 6 -9.567 17.717 5.967 1.00 0.00 C ATOM 81 NE2 HIS A 6 -9.667 18.702 5.029 1.00 0.00 N ATOM 0 H HIS A 6 -4.148 20.149 6.719 1.00 0.00 H new ATOM 0 HA HIS A 6 -5.651 18.147 7.971 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.778 20.102 7.706 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.174 20.382 6.085 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.438 20.396 4.554 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.263 16.904 6.110 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -10.415 18.794 4.342 1.00 0.00 H new ATOM 90 N LEU A 7 -5.467 17.737 4.707 1.00 0.00 N ATOM 91 CA LEU A 7 -5.540 16.738 3.654 1.00 0.00 C ATOM 92 C LEU A 7 -4.363 15.770 3.792 1.00 0.00 C ATOM 93 O LEU A 7 -4.508 14.573 3.553 1.00 0.00 O ATOM 94 CB LEU A 7 -5.626 17.411 2.283 1.00 0.00 C ATOM 95 CG LEU A 7 -4.342 18.073 1.779 1.00 0.00 C ATOM 96 CD1 LEU A 7 -3.912 17.484 0.434 1.00 0.00 C ATOM 97 CD2 LEU A 7 -4.498 19.594 1.716 1.00 0.00 C ATOM 0 H LEU A 7 -5.325 18.692 4.379 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.451 16.147 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.937 16.664 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.411 18.167 2.320 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.545 17.860 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.997 17.972 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.733 16.415 0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.700 17.645 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.571 20.040 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.312 19.848 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.722 19.978 2.711 1.00 0.00 H new ATOM 109 N CYS A 8 -3.224 16.326 4.178 1.00 0.00 N ATOM 110 CA CYS A 8 -2.023 15.527 4.351 1.00 0.00 C ATOM 111 C CYS A 8 -2.372 14.316 5.219 1.00 0.00 C ATOM 112 O CYS A 8 -2.281 13.176 4.765 1.00 0.00 O ATOM 113 CB CYS A 8 -0.879 16.348 4.951 1.00 0.00 C ATOM 114 SG CYS A 8 0.683 15.980 4.071 1.00 0.00 S ATOM 0 H CYS A 8 -3.108 17.320 4.376 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.667 15.186 3.379 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.106 17.412 4.877 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.772 16.118 6.011 1.00 0.00 H new ATOM 0 HG CYS A 8 1.647 16.683 4.586 1.00 0.00 H new ATOM 120 N ALA A 9 -2.764 14.604 6.451 1.00 0.00 N ATOM 121 CA ALA A 9 -3.127 13.553 7.386 1.00 0.00 C ATOM 122 C ALA A 9 -3.939 12.483 6.653 1.00 0.00 C ATOM 123 O ALA A 9 -3.476 11.357 6.482 1.00 0.00 O ATOM 124 CB ALA A 9 -3.891 14.160 8.565 1.00 0.00 C ATOM 0 H ALA A 9 -2.838 15.551 6.824 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.236 13.072 7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.163 13.372 9.267 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.260 14.892 9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.794 14.649 8.200 1.00 0.00 H new ATOM 130 N ILE A 10 -5.136 12.873 6.241 1.00 0.00 N ATOM 131 CA ILE A 10 -6.017 11.961 5.531 1.00 0.00 C ATOM 132 C ILE A 10 -5.201 11.158 4.516 1.00 0.00 C ATOM 133 O ILE A 10 -5.159 9.931 4.579 1.00 0.00 O ATOM 134 CB ILE A 10 -7.191 12.723 4.912 1.00 0.00 C ATOM 135 CG1 ILE A 10 -8.144 13.235 5.995 1.00 0.00 C ATOM 136 CG2 ILE A 10 -7.914 11.865 3.872 1.00 0.00 C ATOM 137 CD1 ILE A 10 -8.734 14.593 5.608 1.00 0.00 C ATOM 0 H ILE A 10 -5.517 13.808 6.385 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.461 11.245 6.222 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.796 13.595 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.948 12.515 6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.611 13.322 6.942 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.744 12.430 3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.218 11.591 3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.296 10.962 4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.408 14.934 6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.929 15.317 5.480 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.287 14.497 4.673 1.00 0.00 H new ATOM 149 N SER A 11 -4.574 11.884 3.602 1.00 0.00 N ATOM 150 CA SER A 11 -3.762 11.255 2.574 1.00 0.00 C ATOM 151 C SER A 11 -2.858 10.192 3.200 1.00 0.00 C ATOM 152 O SER A 11 -2.953 9.013 2.861 1.00 0.00 O ATOM 153 CB SER A 11 -2.922 12.291 1.825 1.00 0.00 C ATOM 154 OG SER A 11 -2.162 11.703 0.773 1.00 0.00 O ATOM 0 H SER A 11 -4.612 12.902 3.552 1.00 0.00 H new ATOM 0 HA SER A 11 -4.429 10.779 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.577 13.059 1.414 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.249 12.787 2.525 1.00 0.00 H new ATOM 0 HG SER A 11 -2.510 10.808 0.579 1.00 0.00 H new ATOM 160 N LEU A 12 -2.001 10.646 4.103 1.00 0.00 N ATOM 161 CA LEU A 12 -1.080 9.748 4.780 1.00 0.00 C ATOM 162 C LEU A 12 -1.807 8.448 5.130 1.00 0.00 C ATOM 163 O LEU A 12 -1.420 7.374 4.674 1.00 0.00 O ATOM 164 CB LEU A 12 -0.444 10.442 5.986 1.00 0.00 C ATOM 165 CG LEU A 12 0.868 9.839 6.492 1.00 0.00 C ATOM 166 CD1 LEU A 12 0.668 8.390 6.941 1.00 0.00 C ATOM 167 CD2 LEU A 12 1.971 9.966 5.439 1.00 0.00 C ATOM 0 H LEU A 12 -1.925 11.624 4.382 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.253 9.483 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.265 11.486 5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.163 10.436 6.805 1.00 0.00 H new ATOM 0 HG LEU A 12 1.190 10.405 7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.616 7.985 7.296 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.065 8.357 7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.311 7.795 6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.893 9.530 5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.671 9.440 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.136 11.019 5.210 1.00 0.00 H new ATOM 179 N ILE A 13 -2.848 8.589 5.937 1.00 0.00 N ATOM 180 CA ILE A 13 -3.633 7.440 6.355 1.00 0.00 C ATOM 181 C ILE A 13 -3.920 6.556 5.139 1.00 0.00 C ATOM 182 O ILE A 13 -3.556 5.381 5.122 1.00 0.00 O ATOM 183 CB ILE A 13 -4.892 7.892 7.097 1.00 0.00 C ATOM 184 CG1 ILE A 13 -4.532 8.645 8.379 1.00 0.00 C ATOM 185 CG2 ILE A 13 -5.822 6.708 7.371 1.00 0.00 C ATOM 186 CD1 ILE A 13 -5.662 9.590 8.795 1.00 0.00 C ATOM 0 H ILE A 13 -3.166 9.482 6.313 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.073 6.834 7.067 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.435 8.587 6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.335 7.933 9.180 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.615 9.214 8.226 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.709 7.057 7.899 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.118 6.252 6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.302 5.971 7.983 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.381 10.113 9.709 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.840 10.316 8.002 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.571 9.015 8.971 1.00 0.00 H new ATOM 198 N ARG A 14 -4.570 7.154 4.152 1.00 0.00 N ATOM 199 CA ARG A 14 -4.910 6.436 2.936 1.00 0.00 C ATOM 200 C ARG A 14 -3.665 5.767 2.349 1.00 0.00 C ATOM 201 O ARG A 14 -3.770 4.772 1.633 1.00 0.00 O ATOM 202 CB ARG A 14 -5.516 7.376 1.892 1.00 0.00 C ATOM 203 CG ARG A 14 -6.013 6.595 0.673 1.00 0.00 C ATOM 204 CD ARG A 14 -6.219 7.523 -0.526 1.00 0.00 C ATOM 205 NE ARG A 14 -7.111 6.879 -1.516 1.00 0.00 N ATOM 206 CZ ARG A 14 -7.282 7.319 -2.770 1.00 0.00 C ATOM 207 NH1 ARG A 14 -6.623 8.405 -3.195 1.00 0.00 N ATOM 208 NH2 ARG A 14 -8.113 6.672 -3.599 1.00 0.00 N ATOM 0 H ARG A 14 -4.870 8.129 4.170 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.647 5.676 3.195 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.343 7.932 2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.771 8.108 1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.293 5.818 0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.950 6.094 0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.651 8.468 -0.195 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.259 7.755 -0.986 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.628 6.049 -1.226 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.991 8.897 -2.564 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.753 8.740 -4.150 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.615 5.845 -3.275 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.244 7.007 -4.554 1.00 0.00 H new ATOM 222 N TYR A 15 -2.516 6.341 2.673 1.00 0.00 N ATOM 223 CA TYR A 15 -1.252 5.814 2.187 1.00 0.00 C ATOM 224 C TYR A 15 -0.404 5.273 3.339 1.00 0.00 C ATOM 225 O TYR A 15 0.820 5.211 3.238 1.00 0.00 O ATOM 226 CB TYR A 15 -0.523 6.994 1.542 1.00 0.00 C ATOM 227 CG TYR A 15 -1.007 7.329 0.130 1.00 0.00 C ATOM 228 CD1 TYR A 15 -0.566 6.585 -0.945 1.00 0.00 C ATOM 229 CD2 TYR A 15 -1.885 8.375 -0.068 1.00 0.00 C ATOM 230 CE1 TYR A 15 -1.021 6.901 -2.274 1.00 0.00 C ATOM 231 CE2 TYR A 15 -2.341 8.691 -1.397 1.00 0.00 C ATOM 232 CZ TYR A 15 -1.886 7.938 -2.435 1.00 0.00 C ATOM 233 OH TYR A 15 -2.317 8.236 -3.690 1.00 0.00 O ATOM 0 H TYR A 15 -2.434 7.166 3.267 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.421 4.995 1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.645 7.873 2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.544 6.773 1.506 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.120 5.766 -0.790 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.230 8.957 0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.683 6.327 -3.124 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.028 9.507 -1.566 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.931 8.999 -3.652 1.00 0.00 H new ATOM 243 N TRP A 16 -1.089 4.895 4.409 1.00 0.00 N ATOM 244 CA TRP A 16 -0.413 4.361 5.580 1.00 0.00 C ATOM 245 C TRP A 16 0.142 2.982 5.217 1.00 0.00 C ATOM 246 O TRP A 16 1.244 2.625 5.631 1.00 0.00 O ATOM 247 CB TRP A 16 -1.352 4.329 6.787 1.00 0.00 C ATOM 248 CG TRP A 16 -2.144 3.027 6.926 1.00 0.00 C ATOM 249 CD1 TRP A 16 -3.202 2.624 6.209 1.00 0.00 C ATOM 250 CD2 TRP A 16 -1.895 1.967 7.873 1.00 0.00 C ATOM 251 NE1 TRP A 16 -3.652 1.387 6.623 1.00 0.00 N ATOM 252 CE2 TRP A 16 -2.832 0.974 7.667 1.00 0.00 C ATOM 253 CE3 TRP A 16 -0.912 1.850 8.871 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -2.878 -0.205 8.420 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -0.971 0.665 9.615 1.00 0.00 C ATOM 256 CH2 TRP A 16 -1.908 -0.343 9.420 1.00 0.00 C ATOM 0 H TRP A 16 -2.104 4.948 4.490 1.00 0.00 H new ATOM 0 HA TRP A 16 0.417 5.004 5.874 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.767 4.485 7.693 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.052 5.161 6.712 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -3.647 3.196 5.408 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.441 0.871 6.235 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -0.170 2.614 9.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -3.622 -0.967 8.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -0.237 0.525 10.395 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -1.888 -1.229 10.037 1.00 0.00 H new ATOM 267 N SER A 17 -0.647 2.245 4.449 1.00 0.00 N ATOM 268 CA SER A 17 -0.248 0.913 4.027 1.00 0.00 C ATOM 269 C SER A 17 0.934 1.003 3.059 1.00 0.00 C ATOM 270 O SER A 17 0.799 0.690 1.878 1.00 0.00 O ATOM 271 CB SER A 17 -1.414 0.170 3.372 1.00 0.00 C ATOM 272 OG SER A 17 -1.178 -1.233 3.296 1.00 0.00 O ATOM 0 H SER A 17 -1.560 2.545 4.108 1.00 0.00 H new ATOM 0 HA SER A 17 0.055 0.351 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.326 0.354 3.940 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.578 0.565 2.369 1.00 0.00 H new ATOM 0 HG SER A 17 -1.946 -1.671 2.873 1.00 0.00 H new ATOM 278 N ILE A 18 2.067 1.433 3.597 1.00 0.00 N ATOM 279 CA ILE A 18 3.271 1.568 2.796 1.00 0.00 C ATOM 280 C ILE A 18 4.491 1.597 3.719 1.00 0.00 C ATOM 281 O ILE A 18 5.492 0.935 3.451 1.00 0.00 O ATOM 282 CB ILE A 18 3.168 2.784 1.874 1.00 0.00 C ATOM 283 CG1 ILE A 18 3.808 2.498 0.514 1.00 0.00 C ATOM 284 CG2 ILE A 18 3.763 4.028 2.538 1.00 0.00 C ATOM 285 CD1 ILE A 18 5.213 1.914 0.682 1.00 0.00 C ATOM 0 H ILE A 18 2.176 1.692 4.578 1.00 0.00 H new ATOM 0 HA ILE A 18 3.389 0.708 2.137 1.00 0.00 H new ATOM 0 HB ILE A 18 2.112 2.988 1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.185 1.801 -0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.860 3.418 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.677 4.878 1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.222 4.242 3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.814 3.851 2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.646 1.720 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.840 2.624 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.155 0.982 1.244 1.00 0.00 H new ATOM 297 N THR A 19 4.368 2.373 4.786 1.00 0.00 N ATOM 298 CA THR A 19 5.448 2.498 5.749 1.00 0.00 C ATOM 299 C THR A 19 5.685 1.164 6.460 1.00 0.00 C ATOM 300 O THR A 19 6.797 0.639 6.448 1.00 0.00 O ATOM 301 CB THR A 19 5.100 3.642 6.704 1.00 0.00 C ATOM 302 OG1 THR A 19 5.299 4.817 5.924 1.00 0.00 O ATOM 303 CG2 THR A 19 6.109 3.778 7.847 1.00 0.00 C ATOM 0 H THR A 19 3.536 2.922 5.005 1.00 0.00 H new ATOM 0 HA THR A 19 6.390 2.741 5.258 1.00 0.00 H new ATOM 0 HB THR A 19 4.104 3.481 7.116 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.094 5.608 6.465 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.816 4.604 8.495 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.131 2.854 8.425 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.100 3.973 7.436 1.00 0.00 H new ATOM 311 N GLN A 20 4.621 0.654 7.063 1.00 0.00 N ATOM 312 CA GLN A 20 4.699 -0.609 7.778 1.00 0.00 C ATOM 313 C GLN A 20 5.524 -1.620 6.980 1.00 0.00 C ATOM 314 O GLN A 20 6.462 -2.216 7.508 1.00 0.00 O ATOM 315 CB GLN A 20 3.302 -1.156 8.079 1.00 0.00 C ATOM 316 CG GLN A 20 2.543 -0.228 9.028 1.00 0.00 C ATOM 317 CD GLN A 20 2.280 -0.912 10.371 1.00 0.00 C ATOM 318 OE1 GLN A 20 1.309 -1.628 10.553 1.00 0.00 O ATOM 319 NE2 GLN A 20 3.198 -0.654 11.299 1.00 0.00 N ATOM 0 H GLN A 20 3.700 1.092 7.071 1.00 0.00 H new ATOM 0 HA GLN A 20 5.198 -0.435 8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.743 -1.268 7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.384 -2.148 8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.118 0.684 9.187 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.597 0.067 8.574 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.987 -0.045 11.081 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.113 -1.065 12.229 1.00 0.00 H new ATOM 328 N ALA A 21 5.145 -1.784 5.721 1.00 0.00 N ATOM 329 CA ALA A 21 5.838 -2.713 4.845 1.00 0.00 C ATOM 330 C ALA A 21 6.640 -1.927 3.807 1.00 0.00 C ATOM 331 O ALA A 21 6.308 -1.936 2.623 1.00 0.00 O ATOM 332 CB ALA A 21 4.824 -3.661 4.202 1.00 0.00 C ATOM 0 H ALA A 21 4.366 -1.289 5.287 1.00 0.00 H new ATOM 0 HA ALA A 21 6.541 -3.323 5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.344 -4.358 3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.301 -4.217 4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.103 -3.084 3.622 1.00 0.00 H new ATOM 338 N ILE A 22 7.682 -1.265 4.289 1.00 0.00 N ATOM 339 CA ILE A 22 8.535 -0.474 3.418 1.00 0.00 C ATOM 340 C ILE A 22 9.927 -1.107 3.363 1.00 0.00 C ATOM 341 O ILE A 22 10.525 -1.210 2.293 1.00 0.00 O ATOM 342 CB ILE A 22 8.542 0.990 3.860 1.00 0.00 C ATOM 343 CG1 ILE A 22 8.721 1.924 2.661 1.00 0.00 C ATOM 344 CG2 ILE A 22 9.600 1.233 4.938 1.00 0.00 C ATOM 345 CD1 ILE A 22 8.261 3.344 2.998 1.00 0.00 C ATOM 0 H ILE A 22 7.955 -1.260 5.272 1.00 0.00 H new ATOM 0 HA ILE A 22 8.144 -0.473 2.400 1.00 0.00 H new ATOM 0 HB ILE A 22 7.573 1.217 4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.769 1.939 2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.151 1.545 1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.583 2.282 5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.386 0.608 5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.585 0.983 4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.399 3.987 2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.207 3.329 3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.849 3.729 3.831 1.00 0.00 H new ATOM 357 N GLU A 23 10.403 -1.515 4.531 1.00 0.00 N ATOM 358 CA GLU A 23 11.713 -2.135 4.629 1.00 0.00 C ATOM 359 C GLU A 23 11.573 -3.648 4.809 1.00 0.00 C ATOM 360 O GLU A 23 12.061 -4.422 3.987 1.00 0.00 O ATOM 361 CB GLU A 23 12.526 -1.520 5.771 1.00 0.00 C ATOM 362 CG GLU A 23 13.825 -0.903 5.248 1.00 0.00 C ATOM 363 CD GLU A 23 13.745 0.625 5.249 1.00 0.00 C ATOM 364 OE1 GLU A 23 12.768 1.142 4.666 1.00 0.00 O ATOM 365 OE2 GLU A 23 14.663 1.241 5.832 1.00 0.00 O ATOM 0 H GLU A 23 9.905 -1.428 5.417 1.00 0.00 H new ATOM 0 HA GLU A 23 12.252 -1.948 3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.933 -0.756 6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.755 -2.285 6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.661 -1.227 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.020 -1.260 4.237 1.00 0.00 H new ATOM 372 N TYR A 24 10.903 -4.023 5.889 1.00 0.00 N ATOM 373 CA TYR A 24 10.693 -5.430 6.187 1.00 0.00 C ATOM 374 C TYR A 24 10.371 -6.217 4.915 1.00 0.00 C ATOM 375 O TYR A 24 11.004 -7.234 4.634 1.00 0.00 O ATOM 376 CB TYR A 24 9.486 -5.485 7.126 1.00 0.00 C ATOM 377 CG TYR A 24 9.851 -5.452 8.611 1.00 0.00 C ATOM 378 CD1 TYR A 24 10.520 -4.362 9.133 1.00 0.00 C ATOM 379 CD2 TYR A 24 9.513 -6.510 9.429 1.00 0.00 C ATOM 380 CE1 TYR A 24 10.864 -4.331 10.531 1.00 0.00 C ATOM 381 CE2 TYR A 24 9.857 -6.479 10.827 1.00 0.00 C ATOM 382 CZ TYR A 24 10.515 -5.390 11.309 1.00 0.00 C ATOM 383 OH TYR A 24 10.840 -5.361 12.630 1.00 0.00 O ATOM 0 H TYR A 24 10.499 -3.378 6.568 1.00 0.00 H new ATOM 0 HA TYR A 24 11.588 -5.867 6.630 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.828 -4.644 6.905 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.921 -6.394 6.921 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.785 -3.533 8.493 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.990 -7.362 9.021 1.00 0.00 H new ATOM 0 HE1 TYR A 24 11.388 -3.485 10.952 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.599 -7.301 11.478 1.00 0.00 H new ATOM 0 HH TYR A 24 10.527 -6.183 13.062 1.00 0.00 H new ATOM 393 N ASN A 25 9.387 -5.718 4.182 1.00 0.00 N ATOM 394 CA ASN A 25 8.974 -6.363 2.947 1.00 0.00 C ATOM 395 C ASN A 25 10.208 -6.659 2.093 1.00 0.00 C ATOM 396 O ASN A 25 10.425 -7.798 1.683 1.00 0.00 O ATOM 397 CB ASN A 25 8.045 -5.456 2.137 1.00 0.00 C ATOM 398 CG ASN A 25 7.140 -6.279 1.217 1.00 0.00 C ATOM 399 OD1 ASN A 25 7.478 -6.591 0.087 1.00 0.00 O ATOM 400 ND2 ASN A 25 5.974 -6.612 1.763 1.00 0.00 N ATOM 0 H ASN A 25 8.864 -4.875 4.419 1.00 0.00 H new ATOM 0 HA ASN A 25 8.447 -7.281 3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.434 -4.858 2.813 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.637 -4.760 1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.300 -7.161 1.230 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.754 -6.318 2.715 1.00 0.00 H new ATOM 407 N LEU A 26 10.985 -5.613 1.850 1.00 0.00 N ATOM 408 CA LEU A 26 12.192 -5.747 1.053 1.00 0.00 C ATOM 409 C LEU A 26 12.903 -7.049 1.425 1.00 0.00 C ATOM 410 O LEU A 26 13.071 -7.931 0.584 1.00 0.00 O ATOM 411 CB LEU A 26 13.071 -4.503 1.199 1.00 0.00 C ATOM 412 CG LEU A 26 13.741 -4.001 -0.082 1.00 0.00 C ATOM 413 CD1 LEU A 26 13.344 -2.553 -0.377 1.00 0.00 C ATOM 414 CD2 LEU A 26 15.259 -4.176 -0.012 1.00 0.00 C ATOM 0 H LEU A 26 10.802 -4.669 2.191 1.00 0.00 H new ATOM 0 HA LEU A 26 11.943 -5.811 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.461 -3.697 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.848 -4.716 1.933 1.00 0.00 H new ATOM 0 HG LEU A 26 13.385 -4.609 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.834 -2.221 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.263 -2.490 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.652 -1.915 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.710 -3.811 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.652 -3.610 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.498 -5.232 0.116 1.00 0.00 H new ATOM 426 N LYS A 27 13.301 -7.129 2.686 1.00 0.00 N ATOM 427 CA LYS A 27 13.990 -8.309 3.180 1.00 0.00 C ATOM 428 C LYS A 27 12.982 -9.233 3.866 1.00 0.00 C ATOM 429 O LYS A 27 12.975 -9.350 5.091 1.00 0.00 O ATOM 430 CB LYS A 27 15.165 -7.909 4.075 1.00 0.00 C ATOM 431 CG LYS A 27 16.184 -9.045 4.184 1.00 0.00 C ATOM 432 CD LYS A 27 15.907 -9.913 5.412 1.00 0.00 C ATOM 433 CE LYS A 27 17.010 -10.956 5.607 1.00 0.00 C ATOM 434 NZ LYS A 27 16.435 -12.319 5.645 1.00 0.00 N ATOM 0 H LYS A 27 13.159 -6.396 3.381 1.00 0.00 H new ATOM 0 HA LYS A 27 14.426 -8.869 2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.648 -7.020 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.798 -7.648 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.147 -9.659 3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.190 -8.631 4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.837 -9.283 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.945 -10.413 5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.735 -10.883 4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.548 -10.756 6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.197 -13.014 5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.761 -12.390 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.942 -12.513 4.750 1.00 0.00 H new ATOM 448 N ARG A 28 12.155 -9.866 3.047 1.00 0.00 N ATOM 449 CA ARG A 28 11.144 -10.775 3.560 1.00 0.00 C ATOM 450 C ARG A 28 11.741 -11.675 4.644 1.00 0.00 C ATOM 451 O ARG A 28 12.960 -11.748 4.793 1.00 0.00 O ATOM 452 CB ARG A 28 10.570 -11.648 2.441 1.00 0.00 C ATOM 453 CG ARG A 28 9.200 -11.134 1.994 1.00 0.00 C ATOM 454 CD ARG A 28 9.084 -11.142 0.468 1.00 0.00 C ATOM 455 NE ARG A 28 8.016 -12.076 0.047 1.00 0.00 N ATOM 456 CZ ARG A 28 7.401 -12.027 -1.143 1.00 0.00 C ATOM 457 NH1 ARG A 28 7.745 -11.090 -2.037 1.00 0.00 N ATOM 458 NH2 ARG A 28 6.443 -12.916 -1.439 1.00 0.00 N ATOM 0 H ARG A 28 12.164 -9.767 2.032 1.00 0.00 H new ATOM 0 HA ARG A 28 10.341 -10.173 3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.254 -11.655 1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.481 -12.678 2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.416 -11.756 2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.047 -10.122 2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.864 -10.138 0.106 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.034 -11.439 0.024 1.00 0.00 H new ATOM 0 HE ARG A 28 7.730 -12.802 0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.475 -10.414 -1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.277 -11.053 -2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.182 -13.630 -0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.975 -12.879 -2.344 1.00 0.00 H new ATOM 472 N THR A 29 10.855 -12.338 5.372 1.00 0.00 N ATOM 473 CA THR A 29 11.279 -13.230 6.437 1.00 0.00 C ATOM 474 C THR A 29 12.034 -12.451 7.516 1.00 0.00 C ATOM 475 O THR A 29 13.232 -12.656 7.711 1.00 0.00 O ATOM 476 CB THR A 29 12.104 -14.356 5.811 1.00 0.00 C ATOM 477 OG1 THR A 29 11.152 -15.111 5.066 1.00 0.00 O ATOM 478 CG2 THR A 29 12.630 -15.346 6.853 1.00 0.00 C ATOM 0 H THR A 29 9.845 -12.275 5.245 1.00 0.00 H new ATOM 0 HA THR A 29 10.423 -13.677 6.942 1.00 0.00 H new ATOM 0 HB THR A 29 12.942 -13.928 5.260 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.602 -15.861 4.625 1.00 0.00 H new ATOM 0 HG21 THR A 29 13.208 -16.125 6.356 1.00 0.00 H new ATOM 0 HG22 THR A 29 13.266 -14.821 7.566 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.791 -15.799 7.381 1.00 0.00 H new ATOM 486 N PRO A 30 11.285 -11.551 8.206 1.00 0.00 N ATOM 487 CA PRO A 30 11.871 -10.740 9.260 1.00 0.00 C ATOM 488 C PRO A 30 12.102 -11.569 10.525 1.00 0.00 C ATOM 489 O PRO A 30 11.743 -12.744 10.576 1.00 0.00 O ATOM 490 CB PRO A 30 10.890 -9.598 9.469 1.00 0.00 C ATOM 491 CG PRO A 30 9.576 -10.059 8.859 1.00 0.00 C ATOM 492 CD PRO A 30 9.864 -11.281 8.002 1.00 0.00 C ATOM 0 HA PRO A 30 12.857 -10.357 8.997 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.771 -9.375 10.529 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.245 -8.686 8.989 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.856 -10.302 9.641 1.00 0.00 H new ATOM 0 HG3 PRO A 30 9.136 -9.265 8.256 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.252 -12.130 8.305 1.00 0.00 H new ATOM 0 HD3 PRO A 30 9.644 -11.089 6.952 1.00 0.00 H new ATOM 500 N ARG A 31 12.701 -10.924 11.515 1.00 0.00 N ATOM 501 CA ARG A 31 12.984 -11.587 12.777 1.00 0.00 C ATOM 502 C ARG A 31 13.922 -12.775 12.553 1.00 0.00 C ATOM 503 O ARG A 31 13.809 -13.480 11.552 1.00 0.00 O ATOM 504 CB ARG A 31 11.697 -12.080 13.441 1.00 0.00 C ATOM 505 CG ARG A 31 11.943 -12.452 14.905 1.00 0.00 C ATOM 506 CD ARG A 31 10.629 -12.497 15.688 1.00 0.00 C ATOM 507 NE ARG A 31 10.893 -12.858 17.098 1.00 0.00 N ATOM 508 CZ ARG A 31 11.170 -14.100 17.517 1.00 0.00 C ATOM 509 NH1 ARG A 31 11.223 -15.108 16.635 1.00 0.00 N ATOM 510 NH2 ARG A 31 11.396 -14.335 18.817 1.00 0.00 N ATOM 0 H ARG A 31 12.998 -9.949 11.469 1.00 0.00 H new ATOM 0 HA ARG A 31 13.462 -10.860 13.434 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.933 -11.305 13.383 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.314 -12.946 12.901 1.00 0.00 H new ATOM 0 HG2 ARG A 31 12.436 -13.423 14.959 1.00 0.00 H new ATOM 0 HG3 ARG A 31 12.617 -11.726 15.360 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.133 -11.527 15.639 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.953 -13.224 15.238 1.00 0.00 H new ATOM 0 HE ARG A 31 10.862 -12.114 17.795 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.052 -14.929 15.645 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.434 -16.054 16.953 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.357 -13.568 19.488 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.607 -15.281 19.135 1.00 0.00 H new ATOM 524 N ARG A 32 14.827 -12.960 13.503 1.00 0.00 N ATOM 525 CA ARG A 32 15.784 -14.050 13.422 1.00 0.00 C ATOM 526 C ARG A 32 15.064 -15.368 13.127 1.00 0.00 C ATOM 527 O ARG A 32 13.842 -15.395 12.997 1.00 0.00 O ATOM 528 CB ARG A 32 16.573 -14.189 14.726 1.00 0.00 C ATOM 529 CG ARG A 32 15.649 -14.557 15.889 1.00 0.00 C ATOM 530 CD ARG A 32 16.452 -15.076 17.084 1.00 0.00 C ATOM 531 NE ARG A 32 16.489 -14.053 18.152 1.00 0.00 N ATOM 532 CZ ARG A 32 16.772 -14.316 19.435 1.00 0.00 C ATOM 533 NH1 ARG A 32 17.043 -15.571 19.817 1.00 0.00 N ATOM 534 NH2 ARG A 32 16.782 -13.324 20.336 1.00 0.00 N ATOM 0 H ARG A 32 14.918 -12.373 14.333 1.00 0.00 H new ATOM 0 HA ARG A 32 16.478 -13.822 12.613 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.341 -14.954 14.611 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.086 -13.253 14.946 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.069 -13.684 16.188 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.938 -15.317 15.566 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.003 -15.994 17.464 1.00 0.00 H new ATOM 0 HD3 ARG A 32 17.466 -15.324 16.771 1.00 0.00 H new ATOM 0 HE ARG A 32 16.286 -13.087 17.896 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.034 -16.326 19.131 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.258 -15.772 20.794 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.574 -12.369 20.045 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.997 -13.524 21.313 1.00 0.00 H new TER 548 ARG A 32