USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 264 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0602 X(o=-0.06,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.146 USER MOD Single : A 45 GLN : amide:sc= -0.0287 K(o=-0.029,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 63.162 19.796 10.819 1.00 0.00 N ATOM 2 CA ALA A 1 64.308 18.845 10.721 1.00 0.00 C ATOM 3 C ALA A 1 65.366 19.194 11.771 1.00 0.00 C ATOM 4 O ALA A 1 65.974 20.246 11.721 1.00 0.00 O ATOM 5 CB ALA A 1 64.871 19.039 9.309 1.00 0.00 C ATOM 0 H1 ALA A 1 62.447 19.553 10.103 1.00 0.00 H new ATOM 0 H2 ALA A 1 62.738 19.733 11.767 1.00 0.00 H new ATOM 0 H3 ALA A 1 63.501 20.766 10.655 1.00 0.00 H new ATOM 0 HA ALA A 1 64.006 17.813 10.898 1.00 0.00 H new ATOM 0 HB1 ALA A 1 65.720 18.371 9.161 1.00 0.00 H new ATOM 0 HB2 ALA A 1 64.098 18.812 8.575 1.00 0.00 H new ATOM 0 HB3 ALA A 1 65.196 20.072 9.186 1.00 0.00 H new ATOM 13 N LEU A 2 65.589 18.325 12.719 1.00 0.00 N ATOM 14 CA LEU A 2 66.603 18.612 13.772 1.00 0.00 C ATOM 15 C LEU A 2 68.014 18.319 13.247 1.00 0.00 C ATOM 16 O LEU A 2 68.594 17.286 13.529 1.00 0.00 O ATOM 17 CB LEU A 2 66.248 17.688 14.944 1.00 0.00 C ATOM 18 CG LEU A 2 64.940 18.159 15.599 1.00 0.00 C ATOM 19 CD1 LEU A 2 64.307 17.001 16.375 1.00 0.00 C ATOM 20 CD2 LEU A 2 65.233 19.311 16.562 1.00 0.00 C ATOM 0 H LEU A 2 65.112 17.428 12.809 1.00 0.00 H new ATOM 0 HA LEU A 2 66.595 19.659 14.075 1.00 0.00 H new ATOM 0 HB2 LEU A 2 66.140 16.662 14.591 1.00 0.00 H new ATOM 0 HB3 LEU A 2 67.054 17.689 15.678 1.00 0.00 H new ATOM 0 HG LEU A 2 64.253 18.497 14.823 1.00 0.00 H new ATOM 0 HD11 LEU A 2 63.380 17.338 16.839 1.00 0.00 H new ATOM 0 HD12 LEU A 2 64.094 16.179 15.692 1.00 0.00 H new ATOM 0 HD13 LEU A 2 64.996 16.661 17.148 1.00 0.00 H new ATOM 0 HD21 LEU A 2 64.304 19.643 17.025 1.00 0.00 H new ATOM 0 HD22 LEU A 2 65.923 18.973 17.335 1.00 0.00 H new ATOM 0 HD23 LEU A 2 65.681 20.139 16.013 1.00 0.00 H new ATOM 32 N ALA A 3 68.565 19.220 12.479 1.00 0.00 N ATOM 33 CA ALA A 3 69.932 19.007 11.930 1.00 0.00 C ATOM 34 C ALA A 3 70.711 20.326 11.908 1.00 0.00 C ATOM 35 O ALA A 3 70.174 21.380 12.198 1.00 0.00 O ATOM 36 CB ALA A 3 69.716 18.484 10.511 1.00 0.00 C ATOM 0 H ALA A 3 68.123 20.099 12.208 1.00 0.00 H new ATOM 0 HA ALA A 3 70.512 18.310 12.535 1.00 0.00 H new ATOM 0 HB1 ALA A 3 70.682 18.303 10.039 1.00 0.00 H new ATOM 0 HB2 ALA A 3 69.150 17.553 10.548 1.00 0.00 H new ATOM 0 HB3 ALA A 3 69.162 19.223 9.931 1.00 0.00 H new ATOM 42 N ARG A 4 71.975 20.280 11.567 1.00 0.00 N ATOM 43 CA ARG A 4 72.797 21.530 11.531 1.00 0.00 C ATOM 44 C ARG A 4 72.443 22.400 10.309 1.00 0.00 C ATOM 45 O ARG A 4 72.715 23.589 10.291 1.00 0.00 O ATOM 46 CB ARG A 4 74.255 21.065 11.447 1.00 0.00 C ATOM 47 CG ARG A 4 74.715 20.551 12.819 1.00 0.00 C ATOM 48 CD ARG A 4 75.529 21.638 13.532 1.00 0.00 C ATOM 49 NE ARG A 4 74.546 22.369 14.392 1.00 0.00 N ATOM 50 CZ ARG A 4 74.889 23.473 15.022 1.00 0.00 C ATOM 51 NH1 ARG A 4 76.104 23.954 14.912 1.00 0.00 N ATOM 52 NH2 ARG A 4 74.011 24.093 15.765 1.00 0.00 N ATOM 0 H ARG A 4 72.475 19.428 11.311 1.00 0.00 H new ATOM 0 HA ARG A 4 72.613 22.144 12.412 1.00 0.00 H new ATOM 0 HB2 ARG A 4 74.353 20.276 10.701 1.00 0.00 H new ATOM 0 HB3 ARG A 4 74.891 21.889 11.125 1.00 0.00 H new ATOM 0 HG2 ARG A 4 73.851 20.275 13.423 1.00 0.00 H new ATOM 0 HG3 ARG A 4 75.319 19.652 12.697 1.00 0.00 H new ATOM 0 HD2 ARG A 4 76.328 21.201 14.132 1.00 0.00 H new ATOM 0 HD3 ARG A 4 76.000 22.310 12.815 1.00 0.00 H new ATOM 0 HE ARG A 4 73.598 22.007 14.491 1.00 0.00 H new ATOM 0 HH11 ARG A 4 76.793 23.472 14.334 1.00 0.00 H new ATOM 0 HH12 ARG A 4 76.360 24.810 15.404 1.00 0.00 H new ATOM 0 HH21 ARG A 4 73.065 23.721 15.855 1.00 0.00 H new ATOM 0 HH22 ARG A 4 74.271 24.949 16.255 1.00 0.00 H new ATOM 66 N CYS A 5 71.850 21.832 9.286 1.00 0.00 N ATOM 67 CA CYS A 5 71.496 22.649 8.086 1.00 0.00 C ATOM 68 C CYS A 5 70.028 22.430 7.696 1.00 0.00 C ATOM 69 O CYS A 5 69.500 21.346 7.868 1.00 0.00 O ATOM 70 CB CYS A 5 72.438 22.159 6.978 1.00 0.00 C ATOM 71 SG CYS A 5 72.097 20.424 6.596 1.00 0.00 S ATOM 0 H CYS A 5 71.598 20.845 9.231 1.00 0.00 H new ATOM 0 HA CYS A 5 71.608 23.718 8.269 1.00 0.00 H new ATOM 0 HB2 CYS A 5 72.309 22.769 6.084 1.00 0.00 H new ATOM 0 HB3 CYS A 5 73.475 22.273 7.294 1.00 0.00 H new ATOM 76 N PRO A 6 69.409 23.476 7.193 1.00 0.00 N ATOM 77 CA PRO A 6 67.982 23.387 6.788 1.00 0.00 C ATOM 78 C PRO A 6 67.840 22.677 5.432 1.00 0.00 C ATOM 79 O PRO A 6 68.380 23.113 4.430 1.00 0.00 O ATOM 80 CB PRO A 6 67.551 24.845 6.685 1.00 0.00 C ATOM 81 CG PRO A 6 68.809 25.617 6.422 1.00 0.00 C ATOM 82 CD PRO A 6 69.965 24.812 6.957 1.00 0.00 C ATOM 0 HA PRO A 6 67.376 22.813 7.489 1.00 0.00 H new ATOM 0 HB2 PRO A 6 66.829 24.985 5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 6 67.071 25.178 7.605 1.00 0.00 H new ATOM 0 HG2 PRO A 6 68.931 25.796 5.354 1.00 0.00 H new ATOM 0 HG3 PRO A 6 68.767 26.593 6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 6 70.788 24.778 6.243 1.00 0.00 H new ATOM 0 HD3 PRO A 6 70.358 25.246 7.877 1.00 0.00 H new ATOM 90 N GLY A 7 67.104 21.594 5.391 1.00 0.00 N ATOM 91 CA GLY A 7 66.913 20.857 4.103 1.00 0.00 C ATOM 92 C GLY A 7 67.899 19.685 3.996 1.00 0.00 C ATOM 93 O GLY A 7 68.073 19.118 2.933 1.00 0.00 O ATOM 0 H GLY A 7 66.626 21.188 6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 7 65.890 20.485 4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 7 67.057 21.538 3.264 1.00 0.00 H new ATOM 97 N CYS A 8 68.560 19.321 5.064 1.00 0.00 N ATOM 98 CA CYS A 8 69.538 18.191 4.995 1.00 0.00 C ATOM 99 C CYS A 8 69.811 17.641 6.401 1.00 0.00 C ATOM 100 O CYS A 8 69.370 18.200 7.390 1.00 0.00 O ATOM 101 CB CYS A 8 70.813 18.783 4.383 1.00 0.00 C ATOM 102 SG CYS A 8 71.009 20.509 4.895 1.00 0.00 S ATOM 0 H CYS A 8 68.466 19.756 5.982 1.00 0.00 H new ATOM 0 HA CYS A 8 69.161 17.361 4.398 1.00 0.00 H new ATOM 0 HB2 CYS A 8 71.680 18.202 4.698 1.00 0.00 H new ATOM 0 HB3 CYS A 8 70.766 18.722 3.296 1.00 0.00 H new ATOM 107 N GLY A 9 70.529 16.547 6.499 1.00 0.00 N ATOM 108 CA GLY A 9 70.830 15.956 7.838 1.00 0.00 C ATOM 109 C GLY A 9 70.177 14.579 7.949 1.00 0.00 C ATOM 110 O GLY A 9 69.628 14.067 6.990 1.00 0.00 O ATOM 0 H GLY A 9 70.920 16.038 5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 9 71.908 15.871 7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 9 70.459 16.610 8.627 1.00 0.00 H new ATOM 114 N GLN A 10 70.225 13.973 9.108 1.00 0.00 N ATOM 115 CA GLN A 10 69.604 12.627 9.279 1.00 0.00 C ATOM 116 C GLN A 10 68.132 12.766 9.696 1.00 0.00 C ATOM 117 O GLN A 10 67.686 12.157 10.651 1.00 0.00 O ATOM 118 CB GLN A 10 70.415 11.938 10.384 1.00 0.00 C ATOM 119 CG GLN A 10 71.903 11.890 10.002 1.00 0.00 C ATOM 120 CD GLN A 10 72.527 10.582 10.501 1.00 0.00 C ATOM 121 OE1 GLN A 10 73.294 9.956 9.793 1.00 0.00 O ATOM 122 NE2 GLN A 10 72.246 10.143 11.694 1.00 0.00 N ATOM 0 H GLN A 10 70.668 14.354 9.944 1.00 0.00 H new ATOM 0 HA GLN A 10 69.618 12.053 8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 10 70.291 12.475 11.324 1.00 0.00 H new ATOM 0 HB3 GLN A 10 70.040 10.927 10.543 1.00 0.00 H new ATOM 0 HG2 GLN A 10 72.012 11.966 8.920 1.00 0.00 H new ATOM 0 HG3 GLN A 10 72.427 12.742 10.436 1.00 0.00 H new ATOM 0 HE21 GLN A 10 71.604 10.664 12.291 1.00 0.00 H new ATOM 0 HE22 GLN A 10 72.668 9.278 12.032 1.00 0.00 H new ATOM 131 N GLY A 11 67.371 13.562 8.987 1.00 0.00 N ATOM 132 CA GLY A 11 65.930 13.739 9.342 1.00 0.00 C ATOM 133 C GLY A 11 65.105 12.599 8.739 1.00 0.00 C ATOM 134 O GLY A 11 64.216 12.826 7.940 1.00 0.00 O ATOM 0 H GLY A 11 67.686 14.097 8.178 1.00 0.00 H new ATOM 0 HA2 GLY A 11 65.812 13.753 10.425 1.00 0.00 H new ATOM 0 HA3 GLY A 11 65.569 14.698 8.970 1.00 0.00 H new ATOM 138 N VAL A 12 65.387 11.380 9.113 1.00 0.00 N ATOM 139 CA VAL A 12 64.612 10.227 8.558 1.00 0.00 C ATOM 140 C VAL A 12 64.229 9.233 9.678 1.00 0.00 C ATOM 141 O VAL A 12 64.020 8.057 9.433 1.00 0.00 O ATOM 142 CB VAL A 12 65.558 9.585 7.532 1.00 0.00 C ATOM 143 CG1 VAL A 12 66.684 8.838 8.246 1.00 0.00 C ATOM 144 CG2 VAL A 12 64.780 8.601 6.655 1.00 0.00 C ATOM 0 H VAL A 12 66.119 11.130 9.778 1.00 0.00 H new ATOM 0 HA VAL A 12 63.670 10.535 8.104 1.00 0.00 H new ATOM 0 HB VAL A 12 65.986 10.373 6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 12 67.347 8.388 7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 12 67.249 9.536 8.864 1.00 0.00 H new ATOM 0 HG13 VAL A 12 66.260 8.057 8.877 1.00 0.00 H new ATOM 0 HG21 VAL A 12 65.455 8.148 5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 12 64.345 7.822 7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 12 63.985 9.131 6.130 1.00 0.00 H new ATOM 154 N GLN A 13 64.136 9.693 10.901 1.00 0.00 N ATOM 155 CA GLN A 13 63.773 8.775 12.028 1.00 0.00 C ATOM 156 C GLN A 13 62.297 8.360 11.961 1.00 0.00 C ATOM 157 O GLN A 13 61.896 7.422 12.620 1.00 0.00 O ATOM 158 CB GLN A 13 64.049 9.569 13.313 1.00 0.00 C ATOM 159 CG GLN A 13 65.153 8.875 14.119 1.00 0.00 C ATOM 160 CD GLN A 13 65.937 9.917 14.916 1.00 0.00 C ATOM 161 OE1 GLN A 13 65.729 10.074 16.105 1.00 0.00 O ATOM 162 NE2 GLN A 13 66.833 10.646 14.315 1.00 0.00 N ATOM 0 H GLN A 13 64.295 10.664 11.169 1.00 0.00 H new ATOM 0 HA GLN A 13 64.352 7.853 11.984 1.00 0.00 H new ATOM 0 HB2 GLN A 13 64.350 10.587 13.066 1.00 0.00 H new ATOM 0 HB3 GLN A 13 63.140 9.642 13.910 1.00 0.00 H new ATOM 0 HG2 GLN A 13 64.717 8.139 14.794 1.00 0.00 H new ATOM 0 HG3 GLN A 13 65.822 8.336 13.449 1.00 0.00 H new ATOM 0 HE21 GLN A 13 67.010 10.518 13.319 1.00 0.00 H new ATOM 0 HE22 GLN A 13 67.358 11.345 14.840 1.00 0.00 H new ATOM 171 N ALA A 14 61.487 9.036 11.176 1.00 0.00 N ATOM 172 CA ALA A 14 60.032 8.677 11.071 1.00 0.00 C ATOM 173 C ALA A 14 59.350 8.782 12.442 1.00 0.00 C ATOM 174 O ALA A 14 59.178 7.800 13.145 1.00 0.00 O ATOM 175 CB ALA A 14 59.996 7.236 10.548 1.00 0.00 C ATOM 0 H ALA A 14 61.774 9.827 10.599 1.00 0.00 H new ATOM 0 HA ALA A 14 59.496 9.354 10.405 1.00 0.00 H new ATOM 0 HB1 ALA A 14 58.960 6.911 10.448 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.486 7.189 9.576 1.00 0.00 H new ATOM 0 HB3 ALA A 14 60.516 6.582 11.248 1.00 0.00 H new ATOM 181 N GLY A 15 58.955 9.968 12.818 1.00 0.00 N ATOM 182 CA GLY A 15 58.276 10.160 14.133 1.00 0.00 C ATOM 183 C GLY A 15 56.936 10.857 13.905 1.00 0.00 C ATOM 184 O GLY A 15 56.791 12.038 14.160 1.00 0.00 O ATOM 0 H GLY A 15 59.074 10.818 12.267 1.00 0.00 H new ATOM 0 HA2 GLY A 15 58.121 9.198 14.621 1.00 0.00 H new ATOM 0 HA3 GLY A 15 58.902 10.756 14.796 1.00 0.00 H new ATOM 188 N CYS A 16 55.953 10.140 13.425 1.00 0.00 N ATOM 189 CA CYS A 16 54.616 10.764 13.176 1.00 0.00 C ATOM 190 C CYS A 16 53.857 10.902 14.497 1.00 0.00 C ATOM 191 O CYS A 16 53.564 9.916 15.149 1.00 0.00 O ATOM 192 CB CYS A 16 53.885 9.797 12.240 1.00 0.00 C ATOM 193 SG CYS A 16 54.383 10.113 10.524 1.00 0.00 S ATOM 0 H CYS A 16 56.017 9.149 13.194 1.00 0.00 H new ATOM 0 HA CYS A 16 54.699 11.760 12.741 1.00 0.00 H new ATOM 0 HB2 CYS A 16 54.117 8.767 12.512 1.00 0.00 H new ATOM 0 HB3 CYS A 16 52.807 9.920 12.344 1.00 0.00 H new ATOM 198 N PRO A 17 53.557 12.133 14.854 1.00 0.00 N ATOM 199 CA PRO A 17 52.830 12.401 16.123 1.00 0.00 C ATOM 200 C PRO A 17 51.385 11.886 16.058 1.00 0.00 C ATOM 201 O PRO A 17 50.883 11.327 17.012 1.00 0.00 O ATOM 202 CB PRO A 17 52.878 13.926 16.251 1.00 0.00 C ATOM 203 CG PRO A 17 53.062 14.425 14.854 1.00 0.00 C ATOM 204 CD PRO A 17 53.861 13.375 14.123 1.00 0.00 C ATOM 0 HA PRO A 17 53.274 11.894 16.980 1.00 0.00 H new ATOM 0 HB2 PRO A 17 51.960 14.314 16.691 1.00 0.00 H new ATOM 0 HB3 PRO A 17 53.699 14.243 16.895 1.00 0.00 H new ATOM 0 HG2 PRO A 17 52.099 14.586 14.370 1.00 0.00 H new ATOM 0 HG3 PRO A 17 53.584 15.382 14.850 1.00 0.00 H new ATOM 0 HD2 PRO A 17 53.567 13.305 13.076 1.00 0.00 H new ATOM 0 HD3 PRO A 17 54.928 13.599 14.141 1.00 0.00 H new ATOM 212 N GLY A 18 50.714 12.068 14.954 1.00 0.00 N ATOM 213 CA GLY A 18 49.303 11.584 14.842 1.00 0.00 C ATOM 214 C GLY A 18 48.781 11.835 13.430 1.00 0.00 C ATOM 215 O GLY A 18 47.819 12.551 13.232 1.00 0.00 O ATOM 0 H GLY A 18 51.080 12.531 14.122 1.00 0.00 H new ATOM 0 HA2 GLY A 18 49.254 10.520 15.074 1.00 0.00 H new ATOM 0 HA3 GLY A 18 48.674 12.098 15.569 1.00 0.00 H new ATOM 219 N GLY A 19 49.409 11.249 12.452 1.00 0.00 N ATOM 220 CA GLY A 19 48.960 11.436 11.040 1.00 0.00 C ATOM 221 C GLY A 19 50.082 11.020 10.087 1.00 0.00 C ATOM 222 O GLY A 19 50.757 11.850 9.512 1.00 0.00 O ATOM 0 H GLY A 19 50.221 10.643 12.568 1.00 0.00 H new ATOM 0 HA2 GLY A 19 48.067 10.840 10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 19 48.690 12.478 10.868 1.00 0.00 H new ATOM 226 N CYS A 20 50.301 9.741 9.928 1.00 0.00 N ATOM 227 CA CYS A 20 51.391 9.273 9.018 1.00 0.00 C ATOM 228 C CYS A 20 50.805 8.710 7.717 1.00 0.00 C ATOM 229 O CYS A 20 51.327 8.935 6.639 1.00 0.00 O ATOM 230 CB CYS A 20 52.141 8.185 9.792 1.00 0.00 C ATOM 231 SG CYS A 20 53.925 8.396 9.563 1.00 0.00 S ATOM 0 H CYS A 20 49.773 9.000 10.388 1.00 0.00 H new ATOM 0 HA CYS A 20 52.055 10.090 8.734 1.00 0.00 H new ATOM 0 HB2 CYS A 20 51.891 8.241 10.852 1.00 0.00 H new ATOM 0 HB3 CYS A 20 51.834 7.199 9.443 1.00 0.00 H new ATOM 236 N VAL A 21 49.724 7.985 7.809 1.00 0.00 N ATOM 237 CA VAL A 21 49.095 7.404 6.581 1.00 0.00 C ATOM 238 C VAL A 21 47.795 8.142 6.254 1.00 0.00 C ATOM 239 O VAL A 21 46.737 7.547 6.147 1.00 0.00 O ATOM 240 CB VAL A 21 48.812 5.934 6.930 1.00 0.00 C ATOM 241 CG1 VAL A 21 48.554 5.148 5.644 1.00 0.00 C ATOM 242 CG2 VAL A 21 50.013 5.316 7.653 1.00 0.00 C ATOM 0 H VAL A 21 49.245 7.767 8.683 1.00 0.00 H new ATOM 0 HA VAL A 21 49.739 7.494 5.706 1.00 0.00 H new ATOM 0 HB VAL A 21 47.939 5.892 7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 21 48.353 4.105 5.889 1.00 0.00 H new ATOM 0 HG12 VAL A 21 47.694 5.571 5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 21 49.431 5.207 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 21 49.797 4.275 7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 21 50.890 5.365 7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 21 50.207 5.868 8.573 1.00 0.00 H new ATOM 252 N GLU A 22 47.858 9.435 6.090 1.00 0.00 N ATOM 253 CA GLU A 22 46.621 10.210 5.765 1.00 0.00 C ATOM 254 C GLU A 22 46.284 10.084 4.267 1.00 0.00 C ATOM 255 O GLU A 22 45.980 11.057 3.605 1.00 0.00 O ATOM 256 CB GLU A 22 46.943 11.662 6.149 1.00 0.00 C ATOM 257 CG GLU A 22 45.831 12.220 7.049 1.00 0.00 C ATOM 258 CD GLU A 22 46.193 12.022 8.522 1.00 0.00 C ATOM 259 OE1 GLU A 22 46.896 12.861 9.055 1.00 0.00 O ATOM 260 OE2 GLU A 22 45.749 11.043 9.102 1.00 0.00 O ATOM 0 H GLU A 22 48.710 9.990 6.166 1.00 0.00 H new ATOM 0 HA GLU A 22 45.748 9.842 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 22 47.901 11.707 6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 22 47.038 12.273 5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 22 45.684 13.280 6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 22 44.889 11.719 6.828 1.00 0.00 H new ATOM 267 N GLU A 23 46.328 8.890 3.732 1.00 0.00 N ATOM 268 CA GLU A 23 45.999 8.690 2.290 1.00 0.00 C ATOM 269 C GLU A 23 44.936 7.583 2.114 1.00 0.00 C ATOM 270 O GLU A 23 44.149 7.620 1.184 1.00 0.00 O ATOM 271 CB GLU A 23 47.325 8.305 1.609 1.00 0.00 C ATOM 272 CG GLU A 23 47.778 6.903 2.040 1.00 0.00 C ATOM 273 CD GLU A 23 48.752 6.349 1.004 1.00 0.00 C ATOM 274 OE1 GLU A 23 48.376 6.235 -0.151 1.00 0.00 O ATOM 275 OE2 GLU A 23 49.866 6.042 1.380 1.00 0.00 O ATOM 0 H GLU A 23 46.580 8.040 4.237 1.00 0.00 H new ATOM 0 HA GLU A 23 45.573 9.590 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 23 47.204 8.335 0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 23 48.094 9.034 1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 23 48.256 6.947 3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 23 46.916 6.243 2.136 1.00 0.00 H new ATOM 282 N GLU A 24 44.899 6.612 3.014 1.00 0.00 N ATOM 283 CA GLU A 24 43.897 5.501 2.938 1.00 0.00 C ATOM 284 C GLU A 24 43.993 4.734 1.605 1.00 0.00 C ATOM 285 O GLU A 24 44.790 5.062 0.742 1.00 0.00 O ATOM 286 CB GLU A 24 42.532 6.178 3.108 1.00 0.00 C ATOM 287 CG GLU A 24 42.598 7.209 4.247 1.00 0.00 C ATOM 288 CD GLU A 24 41.184 7.525 4.737 1.00 0.00 C ATOM 289 OE1 GLU A 24 40.723 6.844 5.635 1.00 0.00 O ATOM 290 OE2 GLU A 24 40.588 8.449 4.215 1.00 0.00 O ATOM 0 H GLU A 24 45.536 6.549 3.808 1.00 0.00 H new ATOM 0 HA GLU A 24 44.071 4.750 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 24 42.241 6.668 2.179 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.770 5.430 3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 24 43.200 6.820 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 24 43.085 8.120 3.899 1.00 0.00 H new ATOM 297 N ASP A 25 43.200 3.701 1.439 1.00 0.00 N ATOM 298 CA ASP A 25 43.250 2.901 0.177 1.00 0.00 C ATOM 299 C ASP A 25 42.065 3.261 -0.734 1.00 0.00 C ATOM 300 O ASP A 25 42.195 3.289 -1.945 1.00 0.00 O ATOM 301 CB ASP A 25 43.180 1.428 0.624 1.00 0.00 C ATOM 302 CG ASP A 25 41.730 1.014 0.878 1.00 0.00 C ATOM 303 OD1 ASP A 25 41.160 1.480 1.850 1.00 0.00 O ATOM 304 OD2 ASP A 25 41.213 0.230 0.099 1.00 0.00 O ATOM 0 H ASP A 25 42.519 3.378 2.126 1.00 0.00 H new ATOM 0 HA ASP A 25 44.154 3.100 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 25 43.618 0.788 -0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 25 43.768 1.289 1.531 1.00 0.00 H new ATOM 309 N GLY A 26 40.917 3.523 -0.168 1.00 0.00 N ATOM 310 CA GLY A 26 39.729 3.867 -0.999 1.00 0.00 C ATOM 311 C GLY A 26 38.643 2.820 -0.766 1.00 0.00 C ATOM 312 O GLY A 26 38.606 1.800 -1.430 1.00 0.00 O ATOM 0 H GLY A 26 40.751 3.513 0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 26 39.360 4.858 -0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 26 40.003 3.898 -2.054 1.00 0.00 H new ATOM 316 N GLY A 27 37.762 3.065 0.175 1.00 0.00 N ATOM 317 CA GLY A 27 36.673 2.086 0.472 1.00 0.00 C ATOM 318 C GLY A 27 35.829 1.859 -0.784 1.00 0.00 C ATOM 319 O GLY A 27 35.053 2.705 -1.181 1.00 0.00 O ATOM 0 H GLY A 27 37.752 3.906 0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 27 37.101 1.142 0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 27 36.046 2.459 1.281 1.00 0.00 H new ATOM 323 N SER A 28 35.988 0.728 -1.416 1.00 0.00 N ATOM 324 CA SER A 28 35.214 0.444 -2.664 1.00 0.00 C ATOM 325 C SER A 28 33.773 -0.006 -2.353 1.00 0.00 C ATOM 326 O SER A 28 32.841 0.514 -2.941 1.00 0.00 O ATOM 327 CB SER A 28 35.985 -0.673 -3.388 1.00 0.00 C ATOM 328 OG SER A 28 37.182 -0.987 -2.677 1.00 0.00 O ATOM 0 H SER A 28 36.622 -0.015 -1.123 1.00 0.00 H new ATOM 0 HA SER A 28 35.123 1.341 -3.276 1.00 0.00 H new ATOM 0 HB2 SER A 28 35.359 -1.562 -3.471 1.00 0.00 H new ATOM 0 HB3 SER A 28 36.228 -0.358 -4.403 1.00 0.00 H new ATOM 0 HG SER A 28 37.664 -1.700 -3.146 1.00 0.00 H new ATOM 334 N PRO A 29 33.618 -0.961 -1.458 1.00 0.00 N ATOM 335 CA PRO A 29 32.255 -1.459 -1.120 1.00 0.00 C ATOM 336 C PRO A 29 31.466 -0.426 -0.293 1.00 0.00 C ATOM 337 O PRO A 29 31.062 -0.686 0.824 1.00 0.00 O ATOM 338 CB PRO A 29 32.529 -2.728 -0.312 1.00 0.00 C ATOM 339 CG PRO A 29 33.897 -2.540 0.257 1.00 0.00 C ATOM 340 CD PRO A 29 34.664 -1.657 -0.692 1.00 0.00 C ATOM 0 HA PRO A 29 31.642 -1.643 -2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 29 31.789 -2.860 0.477 1.00 0.00 H new ATOM 0 HB3 PRO A 29 32.483 -3.615 -0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 29 33.842 -2.084 1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 29 34.398 -3.501 0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 29 35.300 -0.953 -0.156 1.00 0.00 H new ATOM 0 HD3 PRO A 29 35.313 -2.241 -1.344 1.00 0.00 H new ATOM 348 N ALA A 30 31.237 0.742 -0.842 1.00 0.00 N ATOM 349 CA ALA A 30 30.470 1.787 -0.109 1.00 0.00 C ATOM 350 C ALA A 30 29.231 2.198 -0.919 1.00 0.00 C ATOM 351 O ALA A 30 28.955 3.371 -1.094 1.00 0.00 O ATOM 352 CB ALA A 30 31.443 2.968 0.039 1.00 0.00 C ATOM 0 H ALA A 30 31.552 1.014 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 30 30.112 1.437 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 30 30.950 3.781 0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 30 32.321 2.648 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 30 31.749 3.313 -0.949 1.00 0.00 H new ATOM 358 N GLU A 31 28.485 1.240 -1.407 1.00 0.00 N ATOM 359 CA GLU A 31 27.269 1.563 -2.211 1.00 0.00 C ATOM 360 C GLU A 31 26.103 1.915 -1.276 1.00 0.00 C ATOM 361 O GLU A 31 25.665 3.047 -1.218 1.00 0.00 O ATOM 362 CB GLU A 31 26.975 0.293 -3.026 1.00 0.00 C ATOM 363 CG GLU A 31 26.043 0.627 -4.198 1.00 0.00 C ATOM 364 CD GLU A 31 26.841 0.644 -5.501 1.00 0.00 C ATOM 365 OE1 GLU A 31 27.230 -0.421 -5.952 1.00 0.00 O ATOM 366 OE2 GLU A 31 27.052 1.717 -6.030 1.00 0.00 O ATOM 0 H GLU A 31 28.667 0.244 -1.282 1.00 0.00 H new ATOM 0 HA GLU A 31 27.413 2.424 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 31 27.906 -0.133 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 31 26.514 -0.461 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 31 25.242 -0.110 -4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 31 25.572 1.597 -4.036 1.00 0.00 H new ATOM 373 N GLY A 32 25.602 0.953 -0.549 1.00 0.00 N ATOM 374 CA GLY A 32 24.467 1.220 0.385 1.00 0.00 C ATOM 375 C GLY A 32 23.244 0.424 -0.050 1.00 0.00 C ATOM 376 O GLY A 32 22.311 0.964 -0.610 1.00 0.00 O ATOM 0 H GLY A 32 25.931 -0.012 -0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 32 24.748 0.946 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 32 24.235 2.285 0.395 1.00 0.00 H new ATOM 380 N CYS A 33 23.237 -0.854 0.214 1.00 0.00 N ATOM 381 CA CYS A 33 22.060 -1.691 -0.176 1.00 0.00 C ATOM 382 C CYS A 33 20.931 -1.497 0.838 1.00 0.00 C ATOM 383 O CYS A 33 21.127 -1.625 2.037 1.00 0.00 O ATOM 384 CB CYS A 33 22.553 -3.145 -0.170 1.00 0.00 C ATOM 385 SG CYS A 33 23.365 -3.519 1.409 1.00 0.00 S ATOM 0 H CYS A 33 23.992 -1.356 0.681 1.00 0.00 H new ATOM 0 HA CYS A 33 21.669 -1.416 -1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 33 21.714 -3.823 -0.326 1.00 0.00 H new ATOM 0 HB3 CYS A 33 23.249 -3.305 -0.993 1.00 0.00 H new ATOM 390 N ALA A 34 19.755 -1.175 0.372 1.00 0.00 N ATOM 391 CA ALA A 34 18.600 -0.966 1.304 1.00 0.00 C ATOM 392 C ALA A 34 17.293 -1.455 0.661 1.00 0.00 C ATOM 393 O ALA A 34 16.212 -1.094 1.094 1.00 0.00 O ATOM 394 CB ALA A 34 18.547 0.544 1.533 1.00 0.00 C ATOM 0 H ALA A 34 19.540 -1.046 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 34 18.720 -1.520 2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.724 0.781 2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 34 19.486 0.878 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.393 1.051 0.581 1.00 0.00 H new ATOM 400 N GLU A 35 17.381 -2.264 -0.361 1.00 0.00 N ATOM 401 CA GLU A 35 16.150 -2.767 -1.036 1.00 0.00 C ATOM 402 C GLU A 35 15.690 -4.089 -0.400 1.00 0.00 C ATOM 403 O GLU A 35 16.102 -4.441 0.690 1.00 0.00 O ATOM 404 CB GLU A 35 16.568 -2.964 -2.499 1.00 0.00 C ATOM 405 CG GLU A 35 16.955 -1.609 -3.111 1.00 0.00 C ATOM 406 CD GLU A 35 18.471 -1.520 -3.264 1.00 0.00 C ATOM 407 OE1 GLU A 35 19.128 -1.152 -2.301 1.00 0.00 O ATOM 408 OE2 GLU A 35 18.953 -1.826 -4.338 1.00 0.00 O ATOM 0 H GLU A 35 18.258 -2.600 -0.759 1.00 0.00 H new ATOM 0 HA GLU A 35 15.308 -2.081 -0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 35 17.409 -3.655 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 35 15.750 -3.410 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 35 16.475 -1.489 -4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.597 -0.798 -2.476 1.00 0.00 H new ATOM 415 N ALA A 36 14.833 -4.821 -1.069 1.00 0.00 N ATOM 416 CA ALA A 36 14.332 -6.113 -0.498 1.00 0.00 C ATOM 417 C ALA A 36 15.254 -7.289 -0.872 1.00 0.00 C ATOM 418 O ALA A 36 14.790 -8.361 -1.222 1.00 0.00 O ATOM 419 CB ALA A 36 12.943 -6.304 -1.112 1.00 0.00 C ATOM 0 H ALA A 36 14.458 -4.581 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 36 14.305 -6.085 0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.506 -7.232 -0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.304 -5.466 -0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.028 -6.350 -2.198 1.00 0.00 H new ATOM 425 N GLU A 37 16.546 -7.102 -0.793 1.00 0.00 N ATOM 426 CA GLU A 37 17.490 -8.211 -1.127 1.00 0.00 C ATOM 427 C GLU A 37 18.660 -8.262 -0.121 1.00 0.00 C ATOM 428 O GLU A 37 19.622 -8.986 -0.321 1.00 0.00 O ATOM 429 CB GLU A 37 17.997 -7.898 -2.543 1.00 0.00 C ATOM 430 CG GLU A 37 18.700 -6.532 -2.570 1.00 0.00 C ATOM 431 CD GLU A 37 19.816 -6.541 -3.612 1.00 0.00 C ATOM 432 OE1 GLU A 37 20.920 -6.915 -3.265 1.00 0.00 O ATOM 433 OE2 GLU A 37 19.541 -6.193 -4.742 1.00 0.00 O ATOM 0 H GLU A 37 16.989 -6.228 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 37 17.003 -9.185 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 37 18.687 -8.676 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 37 17.162 -7.898 -3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.980 -5.747 -2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.111 -6.306 -1.586 1.00 0.00 H new ATOM 440 N GLY A 38 18.590 -7.515 0.953 1.00 0.00 N ATOM 441 CA GLY A 38 19.706 -7.530 1.948 1.00 0.00 C ATOM 442 C GLY A 38 20.942 -6.882 1.316 1.00 0.00 C ATOM 443 O GLY A 38 20.983 -5.685 1.105 1.00 0.00 O ATOM 0 H GLY A 38 17.811 -6.898 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 38 19.416 -6.989 2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 38 19.929 -8.554 2.249 1.00 0.00 H new ATOM 447 N CYS A 39 21.945 -7.659 1.001 1.00 0.00 N ATOM 448 CA CYS A 39 23.176 -7.088 0.366 1.00 0.00 C ATOM 449 C CYS A 39 23.977 -8.192 -0.333 1.00 0.00 C ATOM 450 O CYS A 39 24.276 -8.105 -1.505 1.00 0.00 O ATOM 451 CB CYS A 39 23.984 -6.473 1.514 1.00 0.00 C ATOM 452 SG CYS A 39 24.740 -4.926 0.957 1.00 0.00 S ATOM 0 H CYS A 39 21.967 -8.667 1.155 1.00 0.00 H new ATOM 0 HA CYS A 39 22.934 -6.345 -0.394 1.00 0.00 H new ATOM 0 HB2 CYS A 39 23.336 -6.286 2.370 1.00 0.00 H new ATOM 0 HB3 CYS A 39 24.755 -7.169 1.844 1.00 0.00 H new ATOM 457 N LEU A 40 24.323 -9.235 0.382 1.00 0.00 N ATOM 458 CA LEU A 40 25.107 -10.348 -0.234 1.00 0.00 C ATOM 459 C LEU A 40 24.271 -11.099 -1.285 1.00 0.00 C ATOM 460 O LEU A 40 24.808 -11.813 -2.107 1.00 0.00 O ATOM 461 CB LEU A 40 25.467 -11.276 0.929 1.00 0.00 C ATOM 462 CG LEU A 40 26.509 -12.299 0.465 1.00 0.00 C ATOM 463 CD1 LEU A 40 27.533 -12.537 1.576 1.00 0.00 C ATOM 464 CD2 LEU A 40 25.810 -13.618 0.129 1.00 0.00 C ATOM 0 H LEU A 40 24.095 -9.363 1.368 1.00 0.00 H new ATOM 0 HA LEU A 40 25.991 -9.977 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 40 25.859 -10.695 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 40 24.575 -11.788 1.289 1.00 0.00 H new ATOM 0 HG LEU A 40 27.019 -11.917 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 40 28.271 -13.265 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 40 28.032 -11.599 1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 40 27.026 -12.917 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 40 26.549 -14.348 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 40 25.299 -13.995 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 40 25.083 -13.452 -0.666 1.00 0.00 H new ATOM 476 N ARG A 41 22.965 -10.945 -1.257 1.00 0.00 N ATOM 477 CA ARG A 41 22.076 -11.643 -2.241 1.00 0.00 C ATOM 478 C ARG A 41 22.168 -13.163 -2.046 1.00 0.00 C ATOM 479 O ARG A 41 22.792 -13.874 -2.815 1.00 0.00 O ATOM 480 CB ARG A 41 22.580 -11.226 -3.630 1.00 0.00 C ATOM 481 CG ARG A 41 21.497 -10.426 -4.358 1.00 0.00 C ATOM 482 CD ARG A 41 21.993 -10.056 -5.760 1.00 0.00 C ATOM 483 NE ARG A 41 22.080 -11.351 -6.504 1.00 0.00 N ATOM 484 CZ ARG A 41 22.415 -11.369 -7.773 1.00 0.00 C ATOM 485 NH1 ARG A 41 22.669 -10.254 -8.413 1.00 0.00 N ATOM 486 NH2 ARG A 41 22.494 -12.514 -8.399 1.00 0.00 N ATOM 0 H ARG A 41 22.473 -10.357 -0.584 1.00 0.00 H new ATOM 0 HA ARG A 41 21.028 -11.373 -2.112 1.00 0.00 H new ATOM 0 HB2 ARG A 41 23.485 -10.626 -3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 41 22.844 -12.110 -4.211 1.00 0.00 H new ATOM 0 HG2 ARG A 41 20.581 -11.013 -4.427 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.256 -9.524 -3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.306 -9.366 -6.251 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.964 -9.562 -5.716 1.00 0.00 H new ATOM 0 HE ARG A 41 21.877 -12.227 -6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 41 22.607 -9.360 -7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 41 22.928 -10.280 -9.399 1.00 0.00 H new ATOM 0 HH21 ARG A 41 22.296 -13.382 -7.901 1.00 0.00 H new ATOM 0 HH22 ARG A 41 22.753 -12.539 -9.385 1.00 0.00 H new ATOM 500 N ARG A 42 21.539 -13.664 -1.014 1.00 0.00 N ATOM 501 CA ARG A 42 21.561 -15.121 -0.728 1.00 0.00 C ATOM 502 C ARG A 42 20.124 -15.623 -0.538 1.00 0.00 C ATOM 503 O ARG A 42 19.713 -15.965 0.557 1.00 0.00 O ATOM 504 CB ARG A 42 22.362 -15.243 0.573 1.00 0.00 C ATOM 505 CG ARG A 42 22.740 -16.706 0.810 1.00 0.00 C ATOM 506 CD ARG A 42 24.073 -16.774 1.560 1.00 0.00 C ATOM 507 NE ARG A 42 25.108 -16.923 0.490 1.00 0.00 N ATOM 508 CZ ARG A 42 26.383 -17.009 0.801 1.00 0.00 C ATOM 509 NH1 ARG A 42 26.764 -16.982 2.053 1.00 0.00 N ATOM 510 NH2 ARG A 42 27.277 -17.131 -0.151 1.00 0.00 N ATOM 0 H ARG A 42 21.002 -13.109 -0.347 1.00 0.00 H new ATOM 0 HA ARG A 42 22.002 -15.712 -1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 42 23.261 -14.630 0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 42 21.773 -14.869 1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 42 21.961 -17.205 1.386 1.00 0.00 H new ATOM 0 HG3 ARG A 42 22.819 -17.231 -0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 42 24.241 -15.873 2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 42 24.095 -17.616 2.251 1.00 0.00 H new ATOM 0 HE ARG A 42 24.823 -16.958 -0.489 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.070 -16.894 2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 42 27.755 -17.049 2.286 1.00 0.00 H new ATOM 0 HH21 ARG A 42 26.982 -17.159 -1.127 1.00 0.00 H new ATOM 0 HH22 ARG A 42 28.267 -17.198 0.085 1.00 0.00 H new ATOM 524 N GLU A 43 19.350 -15.632 -1.593 1.00 0.00 N ATOM 525 CA GLU A 43 17.924 -16.072 -1.488 1.00 0.00 C ATOM 526 C GLU A 43 17.796 -17.554 -1.115 1.00 0.00 C ATOM 527 O GLU A 43 17.599 -18.404 -1.966 1.00 0.00 O ATOM 528 CB GLU A 43 17.314 -15.805 -2.870 1.00 0.00 C ATOM 529 CG GLU A 43 17.373 -14.301 -3.168 1.00 0.00 C ATOM 530 CD GLU A 43 17.534 -14.078 -4.668 1.00 0.00 C ATOM 531 OE1 GLU A 43 18.589 -14.404 -5.191 1.00 0.00 O ATOM 532 OE2 GLU A 43 16.604 -13.576 -5.273 1.00 0.00 O ATOM 0 H GLU A 43 19.645 -15.352 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 43 17.410 -15.529 -0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.858 -16.360 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.281 -16.153 -2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.464 -13.815 -2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.206 -13.847 -2.632 1.00 0.00 H new ATOM 539 N GLY A 44 17.889 -17.863 0.150 1.00 0.00 N ATOM 540 CA GLY A 44 17.756 -19.281 0.600 1.00 0.00 C ATOM 541 C GLY A 44 18.804 -20.161 -0.081 1.00 0.00 C ATOM 542 O GLY A 44 18.497 -21.235 -0.575 1.00 0.00 O ATOM 0 H GLY A 44 18.053 -17.189 0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 44 17.873 -19.337 1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.757 -19.650 0.368 1.00 0.00 H new ATOM 546 N GLN A 45 20.034 -19.727 -0.103 1.00 0.00 N ATOM 547 CA GLN A 45 21.115 -20.548 -0.735 1.00 0.00 C ATOM 548 C GLN A 45 22.391 -20.482 0.122 1.00 0.00 C ATOM 549 O GLN A 45 23.362 -21.106 -0.253 1.00 0.00 O ATOM 550 CB GLN A 45 21.355 -19.939 -2.132 1.00 0.00 C ATOM 551 CG GLN A 45 21.726 -18.459 -2.009 1.00 0.00 C ATOM 552 CD GLN A 45 23.100 -18.215 -2.635 1.00 0.00 C ATOM 553 OE1 GLN A 45 24.045 -17.870 -1.950 1.00 0.00 O ATOM 554 NE2 GLN A 45 23.263 -18.387 -3.917 1.00 0.00 N ATOM 555 OXT GLN A 45 22.371 -19.812 1.141 1.00 0.00 O ATOM 0 H GLN A 45 20.342 -18.837 0.290 1.00 0.00 H new ATOM 0 HA GLN A 45 20.835 -21.598 -0.813 1.00 0.00 H new ATOM 0 HB2 GLN A 45 22.153 -20.480 -2.640 1.00 0.00 H new ATOM 0 HB3 GLN A 45 20.458 -20.047 -2.742 1.00 0.00 H new ATOM 0 HG2 GLN A 45 20.976 -17.844 -2.506 1.00 0.00 H new ATOM 0 HG3 GLN A 45 21.737 -18.163 -0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 45 22.475 -18.676 -4.497 1.00 0.00 H new ATOM 0 HE22 GLN A 45 24.178 -18.233 -4.340 1.00 0.00 H new TER 564 GLN A 45