USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 516 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+ -112:sc= 0.106 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -25:sc= 0.0572 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 76:sc= 0.745 USER MOD Single : A 18 GLN : amide:sc= -0.521 K(o=-0.52,f=-4.6!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.038 X(o=-0.038,f=-0.14) USER MOD Single : A 33 SER OG : rot 70:sc= 0.61 USER MOD Single : A 36 SER OG : rot -140:sc=-0.00171 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.00495 X(o=-0.005,f=-0.086) USER MOD Single : A 52 SER OG : rot 67:sc= 1.29 USER MOD Single : A 60 THR OG1 : rot -85:sc= 1.2 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.895 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 56:sc= 0.106 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.887 17.947 -5.866 1.00 25.00 N ATOM 2 CA ALA A 1 9.693 17.100 -6.147 1.00 25.00 C ATOM 3 C ALA A 1 9.302 16.330 -4.901 1.00 25.00 C ATOM 4 O ALA A 1 10.136 16.125 -4.032 1.00 25.00 O ATOM 5 CB ALA A 1 9.987 16.121 -7.314 1.00 25.00 C ATOM 0 H1 ALA A 1 10.615 18.950 -5.895 1.00 25.00 H new ATOM 0 H2 ALA A 1 11.262 17.717 -4.924 1.00 25.00 H new ATOM 0 H3 ALA A 1 11.618 17.765 -6.583 1.00 25.00 H new ATOM 0 HA ALA A 1 8.865 17.745 -6.439 1.00 25.00 H new ATOM 0 HB1 ALA A 1 9.105 15.510 -7.507 1.00 25.00 H new ATOM 0 HB2 ALA A 1 10.238 16.688 -8.210 1.00 25.00 H new ATOM 0 HB3 ALA A 1 10.824 15.476 -7.046 1.00 25.00 H new ATOM 13 N TYR A 2 8.045 15.922 -4.809 1.00 25.00 N ATOM 14 CA TYR A 2 7.565 15.162 -3.657 1.00 25.00 C ATOM 15 C TYR A 2 8.179 13.757 -3.646 1.00 25.00 C ATOM 16 O TYR A 2 8.434 13.179 -4.703 1.00 25.00 O ATOM 17 CB TYR A 2 6.036 15.057 -3.722 1.00 25.00 C ATOM 18 CG TYR A 2 5.427 14.400 -2.504 1.00 25.00 C ATOM 19 CD1 TYR A 2 5.332 15.094 -1.280 1.00 25.00 C ATOM 20 CD2 TYR A 2 4.946 13.074 -2.562 1.00 25.00 C ATOM 21 CE1 TYR A 2 4.776 14.472 -0.129 1.00 25.00 C ATOM 22 CE2 TYR A 2 4.383 12.452 -1.415 1.00 25.00 C ATOM 23 CZ TYR A 2 4.310 13.155 -0.210 1.00 25.00 C ATOM 24 OH TYR A 2 3.770 12.545 0.891 1.00 25.00 O ATOM 0 H TYR A 2 7.335 16.103 -5.518 1.00 25.00 H new ATOM 0 HA TYR A 2 7.862 15.677 -2.744 1.00 25.00 H new ATOM 0 HB2 TYR A 2 5.615 16.056 -3.835 1.00 25.00 H new ATOM 0 HB3 TYR A 2 5.756 14.490 -4.610 1.00 25.00 H new ATOM 0 HD1 TYR A 2 5.687 16.112 -1.216 1.00 25.00 H new ATOM 0 HD2 TYR A 2 5.007 12.525 -3.490 1.00 25.00 H new ATOM 0 HE1 TYR A 2 4.714 15.013 0.803 1.00 25.00 H new ATOM 0 HE2 TYR A 2 4.013 11.439 -1.475 1.00 25.00 H new ATOM 0 HH TYR A 2 3.496 11.633 0.659 1.00 25.00 H new ATOM 34 N ARG A 3 8.379 13.209 -2.453 1.00 25.00 N ATOM 35 CA ARG A 3 8.837 11.833 -2.271 1.00 25.00 C ATOM 36 C ARG A 3 7.927 11.231 -1.217 1.00 25.00 C ATOM 37 O ARG A 3 7.412 11.962 -0.383 1.00 25.00 O ATOM 38 CB ARG A 3 10.282 11.785 -1.764 1.00 25.00 C ATOM 39 CG ARG A 3 11.323 11.769 -2.864 1.00 25.00 C ATOM 40 CD ARG A 3 12.588 11.027 -2.404 1.00 25.00 C ATOM 41 NE ARG A 3 12.353 9.574 -2.253 1.00 25.00 N ATOM 42 CZ ARG A 3 12.427 8.674 -3.229 1.00 25.00 C ATOM 43 NH1 ARG A 3 12.739 8.994 -4.462 1.00 25.00 N ATOM 44 NH2 ARG A 3 12.178 7.430 -2.967 1.00 25.00 N ATOM 0 H ARG A 3 8.227 13.709 -1.577 1.00 25.00 H new ATOM 0 HA ARG A 3 8.806 11.294 -3.218 1.00 25.00 H new ATOM 0 HB2 ARG A 3 10.460 12.648 -1.123 1.00 25.00 H new ATOM 0 HB3 ARG A 3 10.409 10.897 -1.145 1.00 25.00 H new ATOM 0 HG2 ARG A 3 10.914 11.286 -3.751 1.00 25.00 H new ATOM 0 HG3 ARG A 3 11.577 12.791 -3.146 1.00 25.00 H new ATOM 0 HD2 ARG A 3 13.388 11.192 -3.126 1.00 25.00 H new ATOM 0 HD3 ARG A 3 12.926 11.441 -1.454 1.00 25.00 H new ATOM 0 HE ARG A 3 12.114 9.234 -1.321 1.00 25.00 H new ATOM 0 HH11 ARG A 3 12.936 9.965 -4.702 1.00 25.00 H new ATOM 0 HH12 ARG A 3 12.784 8.271 -5.180 1.00 25.00 H new ATOM 0 HH21 ARG A 3 11.928 7.149 -2.019 1.00 25.00 H new ATOM 0 HH22 ARG A 3 12.232 6.732 -3.709 1.00 25.00 H new ATOM 58 N PRO A 4 7.753 9.897 -1.216 1.00 25.00 N ATOM 59 CA PRO A 4 6.891 9.283 -0.199 1.00 25.00 C ATOM 60 C PRO A 4 7.474 9.297 1.210 1.00 25.00 C ATOM 61 O PRO A 4 6.750 9.111 2.173 1.00 25.00 O ATOM 62 CB PRO A 4 6.759 7.845 -0.698 1.00 25.00 C ATOM 63 CG PRO A 4 8.031 7.586 -1.405 1.00 25.00 C ATOM 64 CD PRO A 4 8.307 8.877 -2.130 1.00 25.00 C ATOM 0 HA PRO A 4 5.953 9.829 -0.098 1.00 25.00 H new ATOM 0 HB2 PRO A 4 6.614 7.149 0.128 1.00 25.00 H new ATOM 0 HB3 PRO A 4 5.903 7.732 -1.364 1.00 25.00 H new ATOM 0 HG2 PRO A 4 8.833 7.339 -0.709 1.00 25.00 H new ATOM 0 HG3 PRO A 4 7.941 6.749 -2.098 1.00 25.00 H new ATOM 0 HD2 PRO A 4 9.374 9.024 -2.300 1.00 25.00 H new ATOM 0 HD3 PRO A 4 7.822 8.903 -3.106 1.00 25.00 H new ATOM 72 N SER A 5 8.784 9.506 1.301 1.00 25.00 N ATOM 73 CA SER A 5 9.517 9.501 2.579 1.00 25.00 C ATOM 74 C SER A 5 9.323 8.151 3.255 1.00 25.00 C ATOM 75 O SER A 5 8.797 8.039 4.353 1.00 25.00 O ATOM 76 CB SER A 5 9.075 10.644 3.494 1.00 25.00 C ATOM 77 OG SER A 5 10.014 10.841 4.540 1.00 25.00 O ATOM 0 H SER A 5 9.377 9.685 0.491 1.00 25.00 H new ATOM 0 HA SER A 5 10.576 9.659 2.376 1.00 25.00 H new ATOM 0 HB2 SER A 5 8.971 11.561 2.914 1.00 25.00 H new ATOM 0 HB3 SER A 5 8.095 10.421 3.916 1.00 25.00 H new ATOM 0 HG SER A 5 10.506 10.009 4.699 1.00 25.00 H new ATOM 83 N GLU A 6 9.778 7.125 2.552 1.00 25.00 N ATOM 84 CA GLU A 6 9.650 5.729 2.976 1.00 25.00 C ATOM 85 C GLU A 6 10.485 5.426 4.220 1.00 25.00 C ATOM 86 O GLU A 6 10.370 4.359 4.826 1.00 25.00 O ATOM 87 CB GLU A 6 10.082 4.815 1.823 1.00 25.00 C ATOM 88 CG GLU A 6 11.433 5.191 1.197 1.00 25.00 C ATOM 89 CD GLU A 6 11.287 6.102 -0.028 1.00 25.00 C ATOM 90 OE1 GLU A 6 11.355 7.355 0.112 1.00 25.00 O ATOM 91 OE2 GLU A 6 11.124 5.575 -1.141 1.00 25.00 O ATOM 0 H GLU A 6 10.254 7.235 1.657 1.00 25.00 H new ATOM 0 HA GLU A 6 8.607 5.548 3.235 1.00 25.00 H new ATOM 0 HB2 GLU A 6 10.136 3.789 2.187 1.00 25.00 H new ATOM 0 HB3 GLU A 6 9.316 4.839 1.048 1.00 25.00 H new ATOM 0 HG2 GLU A 6 12.048 5.691 1.945 1.00 25.00 H new ATOM 0 HG3 GLU A 6 11.960 4.282 0.907 1.00 25.00 H new ATOM 98 N THR A 7 11.321 6.377 4.599 1.00 25.00 N ATOM 99 CA THR A 7 12.145 6.267 5.785 1.00 25.00 C ATOM 100 C THR A 7 12.013 7.551 6.566 1.00 25.00 C ATOM 101 O THR A 7 11.717 8.614 6.011 1.00 25.00 O ATOM 102 CB THR A 7 13.622 6.033 5.424 1.00 25.00 C ATOM 103 OG1 THR A 7 14.074 7.064 4.543 1.00 25.00 O ATOM 104 CG2 THR A 7 13.784 4.716 4.720 1.00 25.00 C ATOM 0 H THR A 7 11.446 7.251 4.088 1.00 25.00 H new ATOM 0 HA THR A 7 11.811 5.414 6.375 1.00 25.00 H new ATOM 0 HB THR A 7 14.203 6.037 6.346 1.00 25.00 H new ATOM 0 HG1 THR A 7 15.015 6.912 4.317 1.00 25.00 H new ATOM 0 HG21 THR A 7 14.834 4.564 4.470 1.00 25.00 H new ATOM 0 HG22 THR A 7 13.445 3.911 5.372 1.00 25.00 H new ATOM 0 HG23 THR A 7 13.190 4.717 3.806 1.00 25.00 H new ATOM 112 N LEU A 8 12.216 7.441 7.865 1.00 25.00 N ATOM 113 CA LEU A 8 12.110 8.574 8.769 1.00 25.00 C ATOM 114 C LEU A 8 13.286 8.618 9.674 1.00 25.00 C ATOM 115 O LEU A 8 13.775 7.601 10.136 1.00 25.00 O ATOM 116 CB LEU A 8 10.904 8.457 9.673 1.00 25.00 C ATOM 117 CG LEU A 8 9.543 8.383 9.031 1.00 25.00 C ATOM 118 CD1 LEU A 8 8.483 8.122 10.030 1.00 25.00 C ATOM 119 CD2 LEU A 8 9.229 9.668 8.259 1.00 25.00 C ATOM 0 H LEU A 8 12.459 6.564 8.325 1.00 25.00 H new ATOM 0 HA LEU A 8 12.038 9.462 8.141 1.00 25.00 H new ATOM 0 HB2 LEU A 8 11.032 7.566 10.287 1.00 25.00 H new ATOM 0 HB3 LEU A 8 10.909 9.313 10.348 1.00 25.00 H new ATOM 0 HG LEU A 8 9.564 7.548 8.331 1.00 25.00 H new ATOM 0 HD11 LEU A 8 7.515 8.075 9.530 1.00 25.00 H new ATOM 0 HD12 LEU A 8 8.679 7.173 10.530 1.00 25.00 H new ATOM 0 HD13 LEU A 8 8.472 8.925 10.767 1.00 25.00 H new ATOM 0 HD21 LEU A 8 8.241 9.588 7.806 1.00 25.00 H new ATOM 0 HD22 LEU A 8 9.247 10.517 8.943 1.00 25.00 H new ATOM 0 HD23 LEU A 8 9.976 9.815 7.479 1.00 25.00 H new ATOM 131 N CYS A 9 13.676 9.824 10.009 1.00 25.00 N ATOM 132 CA CYS A 9 14.791 10.025 10.918 1.00 25.00 C ATOM 133 C CYS A 9 14.673 11.385 11.574 1.00 25.00 C ATOM 134 O CYS A 9 13.988 12.272 11.058 1.00 25.00 O ATOM 135 CB CYS A 9 16.110 9.918 10.149 1.00 25.00 C ATOM 136 SG CYS A 9 17.388 8.958 11.030 1.00 25.00 S ATOM 0 H CYS A 9 13.243 10.683 9.670 1.00 25.00 H new ATOM 0 HA CYS A 9 14.773 9.257 11.692 1.00 25.00 H new ATOM 0 HB2 CYS A 9 15.921 9.454 9.181 1.00 25.00 H new ATOM 0 HB3 CYS A 9 16.490 10.921 9.953 1.00 25.00 H new ATOM 141 N GLY A 10 15.329 11.552 12.713 1.00 25.00 N ATOM 142 CA GLY A 10 15.300 12.827 13.409 1.00 25.00 C ATOM 143 C GLY A 10 13.889 13.288 13.721 1.00 25.00 C ATOM 144 O GLY A 10 13.045 12.513 14.179 1.00 25.00 O ATOM 0 H GLY A 10 15.882 10.827 13.170 1.00 25.00 H new ATOM 0 HA2 GLY A 10 15.865 12.743 14.338 1.00 25.00 H new ATOM 0 HA3 GLY A 10 15.798 13.581 12.800 1.00 25.00 H new ATOM 148 N GLY A 11 13.627 14.558 13.438 1.00 25.00 N ATOM 149 CA GLY A 11 12.320 15.136 13.698 1.00 25.00 C ATOM 150 C GLY A 11 11.197 14.543 12.869 1.00 25.00 C ATOM 151 O GLY A 11 10.061 14.548 13.315 1.00 25.00 O ATOM 0 H GLY A 11 14.302 15.204 13.029 1.00 25.00 H new ATOM 0 HA2 GLY A 11 12.083 15.007 14.754 1.00 25.00 H new ATOM 0 HA3 GLY A 11 12.367 16.209 13.510 1.00 25.00 H new ATOM 155 N GLU A 12 11.493 14.000 11.695 1.00 25.00 N ATOM 156 CA GLU A 12 10.445 13.401 10.859 1.00 25.00 C ATOM 157 C GLU A 12 9.872 12.170 11.550 1.00 25.00 C ATOM 158 O GLU A 12 8.664 11.935 11.537 1.00 25.00 O ATOM 159 CB GLU A 12 11.000 12.990 9.488 1.00 25.00 C ATOM 160 CG GLU A 12 11.417 14.150 8.588 1.00 25.00 C ATOM 161 CD GLU A 12 10.239 14.882 8.012 1.00 25.00 C ATOM 162 OE1 GLU A 12 9.539 15.618 8.642 1.00 25.00 O ATOM 163 OE2 GLU A 12 10.052 14.653 6.763 1.00 25.00 O ATOM 0 H GLU A 12 12.432 13.959 11.299 1.00 25.00 H new ATOM 0 HA GLU A 12 9.664 14.147 10.714 1.00 25.00 H new ATOM 0 HB2 GLU A 12 11.862 12.341 9.641 1.00 25.00 H new ATOM 0 HB3 GLU A 12 10.245 12.400 8.969 1.00 25.00 H new ATOM 0 HG2 GLU A 12 12.030 14.847 9.159 1.00 25.00 H new ATOM 0 HG3 GLU A 12 12.038 13.771 7.776 1.00 25.00 H new ATOM 170 N LEU A 13 10.741 11.392 12.178 1.00 25.00 N ATOM 171 CA LEU A 13 10.298 10.183 12.859 1.00 25.00 C ATOM 172 C LEU A 13 9.481 10.574 14.082 1.00 25.00 C ATOM 173 O LEU A 13 8.422 10.016 14.336 1.00 25.00 O ATOM 174 CB LEU A 13 11.499 9.312 13.248 1.00 25.00 C ATOM 175 CG LEU A 13 11.189 7.920 13.831 1.00 25.00 C ATOM 176 CD1 LEU A 13 10.137 7.135 13.029 1.00 25.00 C ATOM 177 CD2 LEU A 13 12.486 7.124 13.885 1.00 25.00 C ATOM 0 H LEU A 13 11.744 11.572 12.231 1.00 25.00 H new ATOM 0 HA LEU A 13 9.673 9.593 12.189 1.00 25.00 H new ATOM 0 HB2 LEU A 13 12.122 9.179 12.364 1.00 25.00 H new ATOM 0 HB3 LEU A 13 12.094 9.861 13.978 1.00 25.00 H new ATOM 0 HG LEU A 13 10.765 8.069 14.824 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.970 6.166 13.499 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.202 7.695 13.010 1.00 25.00 H new ATOM 0 HD13 LEU A 13 10.492 6.988 12.009 1.00 25.00 H new ATOM 0 HD21 LEU A 13 12.288 6.134 14.295 1.00 25.00 H new ATOM 0 HD22 LEU A 13 12.894 7.025 12.879 1.00 25.00 H new ATOM 0 HD23 LEU A 13 13.205 7.643 14.519 1.00 25.00 H new ATOM 189 N VAL A 14 9.958 11.578 14.805 1.00 25.00 N ATOM 190 CA VAL A 14 9.250 12.089 15.980 1.00 25.00 C ATOM 191 C VAL A 14 7.872 12.605 15.591 1.00 25.00 C ATOM 192 O VAL A 14 6.897 12.295 16.254 1.00 25.00 O ATOM 193 CB VAL A 14 10.068 13.223 16.677 1.00 25.00 C ATOM 194 CG1 VAL A 14 9.212 14.022 17.686 1.00 25.00 C ATOM 195 CG2 VAL A 14 11.272 12.614 17.397 1.00 25.00 C ATOM 0 H VAL A 14 10.834 12.059 14.601 1.00 25.00 H new ATOM 0 HA VAL A 14 9.133 11.265 16.684 1.00 25.00 H new ATOM 0 HB VAL A 14 10.399 13.916 15.904 1.00 25.00 H new ATOM 0 HG11 VAL A 14 9.822 14.799 18.146 1.00 25.00 H new ATOM 0 HG12 VAL A 14 8.371 14.481 17.166 1.00 25.00 H new ATOM 0 HG13 VAL A 14 8.838 13.350 18.458 1.00 25.00 H new ATOM 0 HG21 VAL A 14 11.843 13.405 17.883 1.00 25.00 H new ATOM 0 HG22 VAL A 14 10.926 11.902 18.147 1.00 25.00 H new ATOM 0 HG23 VAL A 14 11.906 12.100 16.675 1.00 25.00 H new ATOM 205 N ASP A 15 7.777 13.366 14.511 1.00 25.00 N ATOM 206 CA ASP A 15 6.493 13.930 14.112 1.00 25.00 C ATOM 207 C ASP A 15 5.507 12.849 13.705 1.00 25.00 C ATOM 208 O ASP A 15 4.330 12.949 14.000 1.00 25.00 O ATOM 209 CB ASP A 15 6.668 14.929 12.972 1.00 25.00 C ATOM 210 CG ASP A 15 5.415 15.709 12.698 1.00 25.00 C ATOM 211 OD1 ASP A 15 4.952 15.844 11.605 1.00 25.00 O ATOM 212 OD2 ASP A 15 4.890 16.248 13.761 1.00 25.00 O ATOM 0 H ASP A 15 8.560 13.606 13.902 1.00 25.00 H new ATOM 0 HA ASP A 15 6.088 14.450 14.980 1.00 25.00 H new ATOM 0 HB2 ASP A 15 7.476 15.619 13.217 1.00 25.00 H new ATOM 0 HB3 ASP A 15 6.967 14.397 12.069 1.00 25.00 H new ATOM 217 N THR A 16 5.990 11.786 13.085 1.00 25.00 N ATOM 218 CA THR A 16 5.112 10.676 12.726 1.00 25.00 C ATOM 219 C THR A 16 4.639 9.938 13.981 1.00 25.00 C ATOM 220 O THR A 16 3.480 9.566 14.093 1.00 25.00 O ATOM 221 CB THR A 16 5.828 9.706 11.790 1.00 25.00 C ATOM 222 OG1 THR A 16 6.331 10.436 10.667 1.00 25.00 O ATOM 223 CG2 THR A 16 4.887 8.640 11.277 1.00 25.00 C ATOM 0 H THR A 16 6.968 11.664 12.822 1.00 25.00 H new ATOM 0 HA THR A 16 4.243 11.084 12.210 1.00 25.00 H new ATOM 0 HB THR A 16 6.633 9.227 12.346 1.00 25.00 H new ATOM 0 HG1 THR A 16 7.128 10.939 10.934 1.00 25.00 H new ATOM 0 HG21 THR A 16 5.428 7.966 10.613 1.00 25.00 H new ATOM 0 HG22 THR A 16 4.484 8.075 12.118 1.00 25.00 H new ATOM 0 HG23 THR A 16 4.070 9.109 10.730 1.00 25.00 H new ATOM 231 N LEU A 17 5.521 9.771 14.954 1.00 25.00 N ATOM 232 CA LEU A 17 5.143 9.143 16.224 1.00 25.00 C ATOM 233 C LEU A 17 4.110 10.008 16.960 1.00 25.00 C ATOM 234 O LEU A 17 3.155 9.491 17.539 1.00 25.00 O ATOM 235 CB LEU A 17 6.391 8.904 17.075 1.00 25.00 C ATOM 236 CG LEU A 17 7.214 7.681 16.636 1.00 25.00 C ATOM 237 CD1 LEU A 17 8.685 7.871 16.926 1.00 25.00 C ATOM 238 CD2 LEU A 17 6.715 6.415 17.341 1.00 25.00 C ATOM 0 H LEU A 17 6.498 10.057 14.896 1.00 25.00 H new ATOM 0 HA LEU A 17 4.679 8.176 16.028 1.00 25.00 H new ATOM 0 HB2 LEU A 17 7.024 9.791 17.033 1.00 25.00 H new ATOM 0 HB3 LEU A 17 6.091 8.775 18.115 1.00 25.00 H new ATOM 0 HG LEU A 17 7.085 7.572 15.559 1.00 25.00 H new ATOM 0 HD11 LEU A 17 9.237 6.988 16.603 1.00 25.00 H new ATOM 0 HD12 LEU A 17 9.052 8.745 16.388 1.00 25.00 H new ATOM 0 HD13 LEU A 17 8.829 8.017 17.997 1.00 25.00 H new ATOM 0 HD21 LEU A 17 7.309 5.560 17.018 1.00 25.00 H new ATOM 0 HD22 LEU A 17 6.812 6.537 18.420 1.00 25.00 H new ATOM 0 HD23 LEU A 17 5.668 6.246 17.088 1.00 25.00 H new ATOM 250 N GLN A 18 4.265 11.321 16.868 1.00 25.00 N ATOM 251 CA GLN A 18 3.286 12.261 17.423 1.00 25.00 C ATOM 252 C GLN A 18 1.971 12.218 16.642 1.00 25.00 C ATOM 253 O GLN A 18 0.937 12.580 17.164 1.00 25.00 O ATOM 254 CB GLN A 18 3.830 13.695 17.374 1.00 25.00 C ATOM 255 CG GLN A 18 4.982 13.959 18.331 1.00 25.00 C ATOM 256 CD GLN A 18 5.646 15.300 18.090 1.00 25.00 C ATOM 257 OE1 GLN A 18 5.979 15.658 16.968 1.00 25.00 O ATOM 258 NE2 GLN A 18 5.867 16.036 19.144 1.00 25.00 N ATOM 0 H GLN A 18 5.062 11.767 16.413 1.00 25.00 H new ATOM 0 HA GLN A 18 3.104 11.963 18.456 1.00 25.00 H new ATOM 0 HB2 GLN A 18 4.160 13.912 16.358 1.00 25.00 H new ATOM 0 HB3 GLN A 18 3.019 14.387 17.600 1.00 25.00 H new ATOM 0 HG2 GLN A 18 4.614 13.919 19.356 1.00 25.00 H new ATOM 0 HG3 GLN A 18 5.724 13.167 18.228 1.00 25.00 H new ATOM 0 HE21 GLN A 18 5.577 15.708 20.065 1.00 25.00 H new ATOM 0 HE22 GLN A 18 6.330 16.940 19.047 1.00 25.00 H new ATOM 267 N PHE A 19 2.006 11.793 15.390 1.00 25.00 N ATOM 268 CA PHE A 19 0.789 11.710 14.587 1.00 25.00 C ATOM 269 C PHE A 19 -0.036 10.461 14.916 1.00 25.00 C ATOM 270 O PHE A 19 -1.242 10.549 15.111 1.00 25.00 O ATOM 271 CB PHE A 19 1.136 11.723 13.096 1.00 25.00 C ATOM 272 CG PHE A 19 -0.068 11.778 12.199 1.00 25.00 C ATOM 273 CD1 PHE A 19 -0.671 13.011 11.893 1.00 25.00 C ATOM 274 CD2 PHE A 19 -0.613 10.595 11.660 1.00 25.00 C ATOM 275 CE1 PHE A 19 -1.815 13.070 11.057 1.00 25.00 C ATOM 276 CE2 PHE A 19 -1.756 10.642 10.824 1.00 25.00 C ATOM 277 CZ PHE A 19 -2.359 11.882 10.523 1.00 25.00 C ATOM 0 H PHE A 19 2.856 11.501 14.907 1.00 25.00 H new ATOM 0 HA PHE A 19 0.182 12.582 14.831 1.00 25.00 H new ATOM 0 HB2 PHE A 19 1.774 12.582 12.887 1.00 25.00 H new ATOM 0 HB3 PHE A 19 1.715 10.831 12.858 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -0.258 13.923 12.299 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -0.155 9.644 11.886 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -2.269 14.023 10.829 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -2.166 9.729 10.417 1.00 25.00 H new ATOM 0 HZ PHE A 19 -3.232 11.922 9.888 1.00 25.00 H new ATOM 287 N VAL A 20 0.605 9.298 14.961 1.00 25.00 N ATOM 288 CA VAL A 20 -0.129 8.031 15.138 1.00 25.00 C ATOM 289 C VAL A 20 -0.749 7.879 16.529 1.00 25.00 C ATOM 290 O VAL A 20 -1.732 7.163 16.699 1.00 25.00 O ATOM 291 CB VAL A 20 0.768 6.781 14.827 1.00 25.00 C ATOM 292 CG1 VAL A 20 1.382 6.902 13.449 1.00 25.00 C ATOM 293 CG2 VAL A 20 1.864 6.610 15.860 1.00 25.00 C ATOM 0 H VAL A 20 1.617 9.197 14.880 1.00 25.00 H new ATOM 0 HA VAL A 20 -0.943 8.076 14.414 1.00 25.00 H new ATOM 0 HB VAL A 20 0.126 5.901 14.863 1.00 25.00 H new ATOM 0 HG11 VAL A 20 2.001 6.028 13.248 1.00 25.00 H new ATOM 0 HG12 VAL A 20 0.590 6.965 12.702 1.00 25.00 H new ATOM 0 HG13 VAL A 20 1.997 7.801 13.402 1.00 25.00 H new ATOM 0 HG21 VAL A 20 2.465 5.735 15.612 1.00 25.00 H new ATOM 0 HG22 VAL A 20 2.499 7.496 15.867 1.00 25.00 H new ATOM 0 HG23 VAL A 20 1.418 6.476 16.845 1.00 25.00 H new ATOM 303 N CYS A 21 -0.161 8.539 17.520 1.00 25.00 N ATOM 304 CA CYS A 21 -0.621 8.421 18.915 1.00 25.00 C ATOM 305 C CYS A 21 -0.852 9.753 19.618 1.00 25.00 C ATOM 306 O CYS A 21 -1.171 9.797 20.812 1.00 25.00 O ATOM 307 CB CYS A 21 0.378 7.575 19.698 1.00 25.00 C ATOM 308 SG CYS A 21 0.188 5.822 19.251 1.00 25.00 S ATOM 0 H CYS A 21 0.636 9.163 17.392 1.00 25.00 H new ATOM 0 HA CYS A 21 -1.599 7.942 18.881 1.00 25.00 H new ATOM 0 HB2 CYS A 21 1.394 7.906 19.484 1.00 25.00 H new ATOM 0 HB3 CYS A 21 0.219 7.706 20.768 1.00 25.00 H new ATOM 313 N GLY A 22 -0.723 10.844 18.887 1.00 25.00 N ATOM 314 CA GLY A 22 -0.948 12.149 19.474 1.00 25.00 C ATOM 315 C GLY A 22 0.120 12.527 20.481 1.00 25.00 C ATOM 316 O GLY A 22 1.212 11.962 20.545 1.00 25.00 O ATOM 0 H GLY A 22 -0.467 10.853 17.900 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -0.978 12.899 18.683 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -1.923 12.161 19.962 1.00 25.00 H new ATOM 320 N ASP A 23 -0.249 13.472 21.327 1.00 25.00 N ATOM 321 CA ASP A 23 0.600 13.976 22.412 1.00 25.00 C ATOM 322 C ASP A 23 0.789 12.952 23.548 1.00 25.00 C ATOM 323 O ASP A 23 1.332 13.261 24.597 1.00 25.00 O ATOM 324 CB ASP A 23 -0.024 15.257 22.963 1.00 25.00 C ATOM 325 CG ASP A 23 0.905 16.006 23.898 1.00 25.00 C ATOM 326 OD1 ASP A 23 0.443 16.359 25.007 1.00 25.00 O ATOM 327 OD2 ASP A 23 2.075 16.248 23.532 1.00 25.00 O ATOM 0 H ASP A 23 -1.162 13.924 21.285 1.00 25.00 H new ATOM 0 HA ASP A 23 1.591 14.170 22.001 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -0.300 15.908 22.133 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -0.944 15.009 23.493 1.00 25.00 H new ATOM 332 N ARG A 24 0.225 11.761 23.398 1.00 25.00 N ATOM 333 CA ARG A 24 0.238 10.764 24.479 1.00 25.00 C ATOM 334 C ARG A 24 1.606 10.126 24.679 1.00 25.00 C ATOM 335 O ARG A 24 1.848 9.456 25.680 1.00 25.00 O ATOM 336 CB ARG A 24 -0.850 9.713 24.237 1.00 25.00 C ATOM 337 CG ARG A 24 -2.276 10.300 24.055 1.00 25.00 C ATOM 338 CD ARG A 24 -2.773 11.141 25.266 1.00 25.00 C ATOM 339 NE ARG A 24 -2.156 12.486 25.322 1.00 25.00 N ATOM 340 CZ ARG A 24 -2.323 13.380 26.288 1.00 25.00 C ATOM 341 NH1 ARG A 24 -3.124 13.163 27.303 1.00 25.00 N ATOM 342 NH2 ARG A 24 -1.667 14.507 26.244 1.00 25.00 N ATOM 0 H ARG A 24 -0.246 11.456 22.547 1.00 25.00 H new ATOM 0 HA ARG A 24 0.019 11.286 25.410 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -0.591 9.137 23.349 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -0.860 9.018 25.076 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -2.289 10.925 23.162 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -2.975 9.482 23.882 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -3.857 11.245 25.210 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -2.552 10.606 26.189 1.00 25.00 H new ATOM 0 HE ARG A 24 -1.547 12.749 24.547 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -3.641 12.286 27.366 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -3.230 13.871 28.029 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -1.030 14.697 25.470 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -1.791 15.198 26.984 1.00 25.00 H new ATOM 356 N GLY A 25 2.523 10.421 23.773 1.00 25.00 N ATOM 357 CA GLY A 25 3.908 10.031 23.953 1.00 25.00 C ATOM 358 C GLY A 25 4.231 8.654 23.426 1.00 25.00 C ATOM 359 O GLY A 25 3.351 7.887 23.029 1.00 25.00 O ATOM 0 H GLY A 25 2.333 10.928 22.908 1.00 25.00 H new ATOM 0 HA2 GLY A 25 4.548 10.759 23.454 1.00 25.00 H new ATOM 0 HA3 GLY A 25 4.150 10.069 25.015 1.00 25.00 H new ATOM 363 N PHE A 26 5.520 8.355 23.386 1.00 25.00 N ATOM 364 CA PHE A 26 6.006 7.113 22.814 1.00 25.00 C ATOM 365 C PHE A 26 7.406 6.793 23.317 1.00 25.00 C ATOM 366 O PHE A 26 8.112 7.642 23.865 1.00 25.00 O ATOM 367 CB PHE A 26 6.019 7.235 21.286 1.00 25.00 C ATOM 368 CG PHE A 26 6.532 8.554 20.802 1.00 25.00 C ATOM 369 CD1 PHE A 26 5.631 9.599 20.506 1.00 25.00 C ATOM 370 CD2 PHE A 26 7.913 8.774 20.649 1.00 25.00 C ATOM 371 CE1 PHE A 26 6.106 10.854 20.073 1.00 25.00 C ATOM 372 CE2 PHE A 26 8.399 10.028 20.216 1.00 25.00 C ATOM 373 CZ PHE A 26 7.495 11.067 19.922 1.00 25.00 C ATOM 0 H PHE A 26 6.254 8.964 23.748 1.00 25.00 H new ATOM 0 HA PHE A 26 5.343 6.303 23.118 1.00 25.00 H new ATOM 0 HB2 PHE A 26 6.636 6.438 20.870 1.00 25.00 H new ATOM 0 HB3 PHE A 26 5.008 7.085 20.908 1.00 25.00 H new ATOM 0 HD1 PHE A 26 4.569 9.436 20.612 1.00 25.00 H new ATOM 0 HD2 PHE A 26 8.609 7.976 20.865 1.00 25.00 H new ATOM 0 HE1 PHE A 26 5.410 11.651 19.857 1.00 25.00 H new ATOM 0 HE2 PHE A 26 9.462 10.189 20.111 1.00 25.00 H new ATOM 0 HZ PHE A 26 7.862 12.024 19.582 1.00 25.00 H new ATOM 383 N TYR A 27 7.789 5.552 23.098 1.00 25.00 N ATOM 384 CA TYR A 27 9.104 5.032 23.406 1.00 25.00 C ATOM 385 C TYR A 27 9.926 5.161 22.126 1.00 25.00 C ATOM 386 O TYR A 27 9.375 5.396 21.063 1.00 25.00 O ATOM 387 CB TYR A 27 8.973 3.546 23.766 1.00 25.00 C ATOM 388 CG TYR A 27 8.248 3.232 25.075 1.00 25.00 C ATOM 389 CD1 TYR A 27 6.829 3.268 25.183 1.00 25.00 C ATOM 390 CD2 TYR A 27 8.983 2.832 26.211 1.00 25.00 C ATOM 391 CE1 TYR A 27 6.190 2.897 26.404 1.00 25.00 C ATOM 392 CE2 TYR A 27 8.338 2.465 27.410 1.00 25.00 C ATOM 393 CZ TYR A 27 6.950 2.501 27.497 1.00 25.00 C ATOM 394 OH TYR A 27 6.333 2.134 28.664 1.00 25.00 O ATOM 0 H TYR A 27 7.171 4.853 22.686 1.00 25.00 H new ATOM 0 HA TYR A 27 9.567 5.565 24.236 1.00 25.00 H new ATOM 0 HB2 TYR A 27 8.449 3.041 22.954 1.00 25.00 H new ATOM 0 HB3 TYR A 27 9.973 3.116 23.816 1.00 25.00 H new ATOM 0 HD1 TYR A 27 6.233 3.578 24.337 1.00 25.00 H new ATOM 0 HD2 TYR A 27 10.062 2.806 26.161 1.00 25.00 H new ATOM 0 HE1 TYR A 27 5.113 2.924 26.478 1.00 25.00 H new ATOM 0 HE2 TYR A 27 8.923 2.155 28.263 1.00 25.00 H new ATOM 0 HH TYR A 27 7.010 1.884 29.327 1.00 25.00 H new ATOM 404 N PHE A 28 11.233 4.937 22.208 1.00 25.00 N ATOM 405 CA PHE A 28 12.062 4.918 21.005 1.00 25.00 C ATOM 406 C PHE A 28 12.791 3.598 20.986 1.00 25.00 C ATOM 407 O PHE A 28 12.723 2.850 20.033 1.00 25.00 O ATOM 408 CB PHE A 28 13.052 6.082 20.996 1.00 25.00 C ATOM 409 CG PHE A 28 12.879 7.003 19.816 1.00 25.00 C ATOM 410 CD1 PHE A 28 13.776 6.955 18.731 1.00 25.00 C ATOM 411 CD2 PHE A 28 11.801 7.911 19.768 1.00 25.00 C ATOM 412 CE1 PHE A 28 13.600 7.808 17.605 1.00 25.00 C ATOM 413 CE2 PHE A 28 11.624 8.769 18.650 1.00 25.00 C ATOM 414 CZ PHE A 28 12.526 8.715 17.572 1.00 25.00 C ATOM 0 H PHE A 28 11.736 4.768 23.079 1.00 25.00 H new ATOM 0 HA PHE A 28 11.440 5.029 20.117 1.00 25.00 H new ATOM 0 HB2 PHE A 28 12.936 6.656 21.916 1.00 25.00 H new ATOM 0 HB3 PHE A 28 14.068 5.686 20.993 1.00 25.00 H new ATOM 0 HD1 PHE A 28 14.606 6.264 18.754 1.00 25.00 H new ATOM 0 HD2 PHE A 28 11.102 7.954 20.590 1.00 25.00 H new ATOM 0 HE1 PHE A 28 14.291 7.759 16.776 1.00 25.00 H new ATOM 0 HE2 PHE A 28 10.797 9.463 18.628 1.00 25.00 H new ATOM 0 HZ PHE A 28 12.394 9.368 16.722 1.00 25.00 H new ATOM 424 N ASN A 29 13.415 3.285 22.108 1.00 25.00 N ATOM 425 CA ASN A 29 14.125 2.023 22.293 1.00 25.00 C ATOM 426 C ASN A 29 13.572 1.277 23.477 1.00 25.00 C ATOM 427 O ASN A 29 14.284 0.567 24.172 1.00 25.00 O ATOM 428 CB ASN A 29 15.611 2.285 22.480 1.00 25.00 C ATOM 429 CG ASN A 29 15.891 3.409 23.441 1.00 25.00 C ATOM 430 OD1 ASN A 29 15.888 4.566 23.069 1.00 25.00 O ATOM 431 ND2 ASN A 29 16.129 3.079 24.672 1.00 25.00 N ATOM 0 H ASN A 29 13.446 3.899 22.922 1.00 25.00 H new ATOM 0 HA ASN A 29 13.985 1.409 21.404 1.00 25.00 H new ATOM 0 HB2 ASN A 29 16.092 1.376 22.841 1.00 25.00 H new ATOM 0 HB3 ASN A 29 16.058 2.520 21.514 1.00 25.00 H new ATOM 0 HD21 ASN A 29 16.322 3.802 25.365 1.00 25.00 H new ATOM 0 HD22 ASN A 29 16.123 2.097 24.947 1.00 25.00 H new ATOM 438 N ARG A 30 12.281 1.472 23.687 1.00 25.00 N ATOM 439 CA ARG A 30 11.526 0.794 24.747 1.00 25.00 C ATOM 440 C ARG A 30 12.235 0.679 26.090 1.00 25.00 C ATOM 441 O ARG A 30 12.350 -0.408 26.639 1.00 25.00 O ATOM 442 CB ARG A 30 11.158 -0.590 24.262 1.00 25.00 C ATOM 443 CG ARG A 30 10.669 -0.561 22.858 1.00 25.00 C ATOM 444 CD ARG A 30 9.617 -1.630 22.602 1.00 25.00 C ATOM 445 NE ARG A 30 10.167 -2.996 22.691 1.00 25.00 N ATOM 446 CZ ARG A 30 9.506 -4.107 22.379 1.00 25.00 C ATOM 447 NH1 ARG A 30 8.270 -4.090 21.941 1.00 25.00 N ATOM 448 NH2 ARG A 30 10.106 -5.260 22.502 1.00 25.00 N ATOM 0 H ARG A 30 11.716 2.109 23.126 1.00 25.00 H new ATOM 0 HA ARG A 30 10.654 1.420 24.938 1.00 25.00 H new ATOM 0 HB2 ARG A 30 12.026 -1.245 24.333 1.00 25.00 H new ATOM 0 HB3 ARG A 30 10.388 -1.011 24.908 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.249 0.421 22.640 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.508 -0.707 22.178 1.00 25.00 H new ATOM 0 HD2 ARG A 30 8.808 -1.520 23.324 1.00 25.00 H new ATOM 0 HD3 ARG A 30 9.184 -1.480 21.613 1.00 25.00 H new ATOM 0 HE ARG A 30 11.128 -3.096 23.017 1.00 25.00 H new ATOM 0 HH11 ARG A 30 7.781 -3.202 21.829 1.00 25.00 H new ATOM 0 HH12 ARG A 30 7.798 -4.965 21.712 1.00 25.00 H new ATOM 0 HH21 ARG A 30 11.070 -5.301 22.834 1.00 25.00 H new ATOM 0 HH22 ARG A 30 9.611 -6.120 22.266 1.00 25.00 H new ATOM 462 N PRO A 31 12.767 1.796 26.608 1.00 25.00 N ATOM 463 CA PRO A 31 13.597 1.565 27.788 1.00 25.00 C ATOM 464 C PRO A 31 12.832 1.210 29.052 1.00 25.00 C ATOM 465 O PRO A 31 13.311 0.474 29.900 1.00 25.00 O ATOM 466 CB PRO A 31 14.301 2.907 27.968 1.00 25.00 C ATOM 467 CG PRO A 31 13.368 3.920 27.371 1.00 25.00 C ATOM 468 CD PRO A 31 12.798 3.208 26.176 1.00 25.00 C ATOM 0 HA PRO A 31 14.250 0.705 27.636 1.00 25.00 H new ATOM 0 HB2 PRO A 31 14.488 3.116 29.021 1.00 25.00 H new ATOM 0 HB3 PRO A 31 15.268 2.916 27.464 1.00 25.00 H new ATOM 0 HG2 PRO A 31 12.588 4.212 28.075 1.00 25.00 H new ATOM 0 HG3 PRO A 31 13.894 4.830 27.083 1.00 25.00 H new ATOM 0 HD2 PRO A 31 11.802 3.575 25.926 1.00 25.00 H new ATOM 0 HD3 PRO A 31 13.420 3.345 25.291 1.00 25.00 H new ATOM 476 N ALA A 32 11.672 1.838 29.176 1.00 25.00 N ATOM 477 CA ALA A 32 10.755 1.695 30.324 1.00 25.00 C ATOM 478 C ALA A 32 11.411 1.970 31.681 1.00 25.00 C ATOM 479 O ALA A 32 10.929 1.566 32.723 1.00 25.00 O ATOM 480 CB ALA A 32 10.092 0.302 30.305 1.00 25.00 C ATOM 0 H ALA A 32 11.322 2.482 28.467 1.00 25.00 H new ATOM 0 HA ALA A 32 9.993 2.465 30.206 1.00 25.00 H new ATOM 0 HB1 ALA A 32 9.418 0.208 31.156 1.00 25.00 H new ATOM 0 HB2 ALA A 32 9.528 0.180 29.380 1.00 25.00 H new ATOM 0 HB3 ALA A 32 10.861 -0.468 30.365 1.00 25.00 H new ATOM 486 N SER A 33 12.517 2.688 31.623 1.00 25.00 N ATOM 487 CA SER A 33 13.349 2.961 32.796 1.00 25.00 C ATOM 488 C SER A 33 13.528 4.440 33.063 1.00 25.00 C ATOM 489 O SER A 33 14.334 4.866 33.875 1.00 25.00 O ATOM 490 CB SER A 33 14.706 2.335 32.586 1.00 25.00 C ATOM 491 OG SER A 33 14.613 0.924 32.499 1.00 25.00 O ATOM 0 H SER A 33 12.871 3.103 30.761 1.00 25.00 H new ATOM 0 HA SER A 33 12.841 2.535 33.661 1.00 25.00 H new ATOM 0 HB2 SER A 33 15.154 2.729 31.674 1.00 25.00 H new ATOM 0 HB3 SER A 33 15.366 2.608 33.409 1.00 25.00 H new ATOM 0 HG SER A 33 14.170 0.676 31.661 1.00 25.00 H new ATOM 497 N ARG A 34 12.746 5.187 32.305 1.00 25.00 N ATOM 498 CA ARG A 34 12.627 6.652 32.304 1.00 25.00 C ATOM 499 C ARG A 34 13.963 7.368 32.322 1.00 25.00 C ATOM 500 O ARG A 34 14.111 8.448 32.883 1.00 25.00 O ATOM 501 CB ARG A 34 11.716 7.114 33.446 1.00 25.00 C ATOM 502 CG ARG A 34 12.209 6.787 34.852 1.00 25.00 C ATOM 503 CD ARG A 34 11.456 7.575 35.862 1.00 25.00 C ATOM 504 NE ARG A 34 11.854 7.218 37.238 1.00 25.00 N ATOM 505 CZ ARG A 34 12.923 7.682 37.880 1.00 25.00 C ATOM 506 NH1 ARG A 34 13.768 8.523 37.332 1.00 25.00 N ATOM 507 NH2 ARG A 34 13.149 7.284 39.101 1.00 25.00 N ATOM 0 H ARG A 34 12.125 4.761 31.617 1.00 25.00 H new ATOM 0 HA ARG A 34 12.167 6.931 31.356 1.00 25.00 H new ATOM 0 HB2 ARG A 34 11.584 8.193 33.368 1.00 25.00 H new ATOM 0 HB3 ARG A 34 10.734 6.662 33.310 1.00 25.00 H new ATOM 0 HG2 ARG A 34 12.087 5.722 35.048 1.00 25.00 H new ATOM 0 HG3 ARG A 34 13.274 7.006 34.931 1.00 25.00 H new ATOM 0 HD2 ARG A 34 11.629 8.638 35.697 1.00 25.00 H new ATOM 0 HD3 ARG A 34 10.387 7.403 35.736 1.00 25.00 H new ATOM 0 HE ARG A 34 11.258 6.559 37.740 1.00 25.00 H new ATOM 0 HH11 ARG A 34 13.618 8.847 36.376 1.00 25.00 H new ATOM 0 HH12 ARG A 34 14.575 8.853 37.862 1.00 25.00 H new ATOM 0 HH21 ARG A 34 12.511 6.627 39.550 1.00 25.00 H new ATOM 0 HH22 ARG A 34 13.964 7.630 39.608 1.00 25.00 H new ATOM 521 N VAL A 35 14.935 6.737 31.690 1.00 25.00 N ATOM 522 CA VAL A 35 16.296 7.234 31.718 1.00 25.00 C ATOM 523 C VAL A 35 16.495 8.505 30.899 1.00 25.00 C ATOM 524 O VAL A 35 17.383 9.302 31.166 1.00 25.00 O ATOM 525 CB VAL A 35 17.324 6.170 31.226 1.00 25.00 C ATOM 526 CG1 VAL A 35 17.343 4.992 32.174 1.00 25.00 C ATOM 527 CG2 VAL A 35 16.995 5.679 29.790 1.00 25.00 C ATOM 0 H VAL A 35 14.807 5.880 31.152 1.00 25.00 H new ATOM 0 HA VAL A 35 16.476 7.465 32.768 1.00 25.00 H new ATOM 0 HB VAL A 35 18.306 6.642 31.206 1.00 25.00 H new ATOM 0 HG11 VAL A 35 18.064 4.254 31.823 1.00 25.00 H new ATOM 0 HG12 VAL A 35 17.627 5.331 33.170 1.00 25.00 H new ATOM 0 HG13 VAL A 35 16.352 4.541 32.214 1.00 25.00 H new ATOM 0 HG21 VAL A 35 17.733 4.938 29.481 1.00 25.00 H new ATOM 0 HG22 VAL A 35 16.002 5.229 29.778 1.00 25.00 H new ATOM 0 HG23 VAL A 35 17.019 6.524 29.102 1.00 25.00 H new ATOM 537 N SER A 36 15.668 8.680 29.883 1.00 25.00 N ATOM 538 CA SER A 36 15.759 9.835 29.006 1.00 25.00 C ATOM 539 C SER A 36 14.382 10.073 28.424 1.00 25.00 C ATOM 540 O SER A 36 13.533 9.186 28.467 1.00 25.00 O ATOM 541 CB SER A 36 16.772 9.584 27.885 1.00 25.00 C ATOM 542 OG SER A 36 16.359 8.503 27.066 1.00 25.00 O ATOM 0 H SER A 36 14.919 8.030 29.643 1.00 25.00 H new ATOM 0 HA SER A 36 16.098 10.708 29.564 1.00 25.00 H new ATOM 0 HB2 SER A 36 16.881 10.484 27.280 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.750 9.368 28.314 1.00 25.00 H new ATOM 0 HG SER A 36 17.137 7.957 26.827 1.00 25.00 H new ATOM 548 N ARG A 37 14.160 11.270 27.892 1.00 25.00 N ATOM 549 CA ARG A 37 12.852 11.639 27.333 1.00 25.00 C ATOM 550 C ARG A 37 12.909 12.001 25.849 1.00 25.00 C ATOM 551 O ARG A 37 11.886 12.219 25.231 1.00 25.00 O ATOM 552 CB ARG A 37 12.250 12.798 28.145 1.00 25.00 C ATOM 553 CG ARG A 37 12.978 14.141 27.976 1.00 25.00 C ATOM 554 CD ARG A 37 12.522 15.171 29.014 1.00 25.00 C ATOM 555 NE ARG A 37 13.070 14.886 30.355 1.00 25.00 N ATOM 556 CZ ARG A 37 12.890 15.644 31.435 1.00 25.00 C ATOM 557 NH1 ARG A 37 12.179 16.744 31.410 1.00 25.00 N ATOM 558 NH2 ARG A 37 13.442 15.286 32.561 1.00 25.00 N ATOM 0 H ARG A 37 14.865 12.005 27.833 1.00 25.00 H new ATOM 0 HA ARG A 37 12.214 10.759 27.407 1.00 25.00 H new ATOM 0 HB2 ARG A 37 11.207 12.925 27.854 1.00 25.00 H new ATOM 0 HB3 ARG A 37 12.256 12.527 29.201 1.00 25.00 H new ATOM 0 HG2 ARG A 37 14.053 13.985 28.067 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.795 14.530 26.974 1.00 25.00 H new ATOM 0 HD2 ARG A 37 12.835 16.166 28.699 1.00 25.00 H new ATOM 0 HD3 ARG A 37 11.433 15.180 29.062 1.00 25.00 H new ATOM 0 HE ARG A 37 13.631 14.041 30.463 1.00 25.00 H new ATOM 0 HH11 ARG A 37 11.739 17.047 30.541 1.00 25.00 H new ATOM 0 HH12 ARG A 37 12.065 17.297 32.259 1.00 25.00 H new ATOM 0 HH21 ARG A 37 14.003 14.435 32.606 1.00 25.00 H new ATOM 0 HH22 ARG A 37 13.313 15.857 33.396 1.00 25.00 H new ATOM 572 N ARG A 38 14.115 12.095 25.296 1.00 25.00 N ATOM 573 CA ARG A 38 14.299 12.489 23.887 1.00 25.00 C ATOM 574 C ARG A 38 15.658 12.053 23.332 1.00 25.00 C ATOM 575 O ARG A 38 16.354 12.820 22.688 1.00 25.00 O ATOM 576 CB ARG A 38 14.093 14.009 23.728 1.00 25.00 C ATOM 577 CG ARG A 38 14.997 14.918 24.577 1.00 25.00 C ATOM 578 CD ARG A 38 14.477 16.354 24.500 1.00 25.00 C ATOM 579 NE ARG A 38 15.331 17.310 25.230 1.00 25.00 N ATOM 580 CZ ARG A 38 15.033 18.588 25.451 1.00 25.00 C ATOM 581 NH1 ARG A 38 13.910 19.127 25.037 1.00 25.00 N ATOM 582 NH2 ARG A 38 15.879 19.337 26.100 1.00 25.00 N ATOM 0 H ARG A 38 14.984 11.905 25.795 1.00 25.00 H new ATOM 0 HA ARG A 38 13.544 11.968 23.299 1.00 25.00 H new ATOM 0 HB2 ARG A 38 14.241 14.265 22.679 1.00 25.00 H new ATOM 0 HB3 ARG A 38 13.055 14.239 23.969 1.00 25.00 H new ATOM 0 HG2 ARG A 38 15.007 14.577 25.612 1.00 25.00 H new ATOM 0 HG3 ARG A 38 16.024 14.870 24.215 1.00 25.00 H new ATOM 0 HD2 ARG A 38 14.412 16.657 23.455 1.00 25.00 H new ATOM 0 HD3 ARG A 38 13.466 16.392 24.907 1.00 25.00 H new ATOM 0 HE ARG A 38 16.219 16.965 25.594 1.00 25.00 H new ATOM 0 HH11 ARG A 38 13.231 18.562 24.527 1.00 25.00 H new ATOM 0 HH12 ARG A 38 13.717 20.111 25.225 1.00 25.00 H new ATOM 0 HH21 ARG A 38 16.759 18.942 26.433 1.00 25.00 H new ATOM 0 HH22 ARG A 38 15.661 20.318 26.275 1.00 25.00 H new ATOM 596 N SER A 39 16.026 10.811 23.603 1.00 25.00 N ATOM 597 CA SER A 39 17.299 10.254 23.124 1.00 25.00 C ATOM 598 C SER A 39 17.016 9.080 22.173 1.00 25.00 C ATOM 599 O SER A 39 16.590 8.010 22.620 1.00 25.00 O ATOM 600 CB SER A 39 18.145 9.774 24.302 1.00 25.00 C ATOM 601 OG SER A 39 19.361 9.206 23.859 1.00 25.00 O ATOM 0 H SER A 39 15.465 10.161 24.153 1.00 25.00 H new ATOM 0 HA SER A 39 17.850 11.030 22.593 1.00 25.00 H new ATOM 0 HB2 SER A 39 18.353 10.611 24.969 1.00 25.00 H new ATOM 0 HB3 SER A 39 17.585 9.038 24.879 1.00 25.00 H new ATOM 0 HG SER A 39 19.884 8.908 24.633 1.00 25.00 H new ATOM 607 N PRO A 40 17.181 9.282 20.850 1.00 25.00 N ATOM 608 CA PRO A 40 16.868 8.228 19.874 1.00 25.00 C ATOM 609 C PRO A 40 17.975 7.173 19.712 1.00 25.00 C ATOM 610 O PRO A 40 18.582 7.057 18.657 1.00 25.00 O ATOM 611 CB PRO A 40 16.670 9.031 18.588 1.00 25.00 C ATOM 612 CG PRO A 40 17.655 10.125 18.704 1.00 25.00 C ATOM 613 CD PRO A 40 17.623 10.517 20.164 1.00 25.00 C ATOM 0 HA PRO A 40 16.007 7.632 20.177 1.00 25.00 H new ATOM 0 HB2 PRO A 40 16.851 8.421 17.703 1.00 25.00 H new ATOM 0 HB3 PRO A 40 15.653 9.415 18.508 1.00 25.00 H new ATOM 0 HG2 PRO A 40 18.650 9.796 18.404 1.00 25.00 H new ATOM 0 HG3 PRO A 40 17.391 10.966 18.062 1.00 25.00 H new ATOM 0 HD2 PRO A 40 18.604 10.840 20.513 1.00 25.00 H new ATOM 0 HD3 PRO A 40 16.934 11.342 20.342 1.00 25.00 H new ATOM 621 N GLN A 41 18.247 6.422 20.768 1.00 25.00 N ATOM 622 CA GLN A 41 19.345 5.447 20.752 1.00 25.00 C ATOM 623 C GLN A 41 19.158 4.351 19.689 1.00 25.00 C ATOM 624 O GLN A 41 19.917 4.260 18.731 1.00 25.00 O ATOM 625 CB GLN A 41 19.492 4.792 22.136 1.00 25.00 C ATOM 626 CG GLN A 41 19.820 5.762 23.279 1.00 25.00 C ATOM 627 CD GLN A 41 21.192 6.397 23.142 1.00 25.00 C ATOM 628 OE1 GLN A 41 21.367 7.370 22.436 1.00 25.00 O ATOM 629 NE2 GLN A 41 22.163 5.850 23.827 1.00 25.00 N ATOM 0 H GLN A 41 17.730 6.463 21.646 1.00 25.00 H new ATOM 0 HA GLN A 41 20.248 6.001 20.496 1.00 25.00 H new ATOM 0 HB2 GLN A 41 18.565 4.271 22.376 1.00 25.00 H new ATOM 0 HB3 GLN A 41 20.277 4.037 22.083 1.00 25.00 H new ATOM 0 HG2 GLN A 41 19.064 6.547 23.311 1.00 25.00 H new ATOM 0 HG3 GLN A 41 19.766 5.228 24.228 1.00 25.00 H new ATOM 0 HE21 GLN A 41 21.979 5.033 24.410 1.00 25.00 H new ATOM 0 HE22 GLN A 41 23.104 6.240 23.779 1.00 25.00 H new ATOM 638 N ARG A 42 18.183 3.477 19.906 1.00 25.00 N ATOM 639 CA ARG A 42 17.925 2.337 19.026 1.00 25.00 C ATOM 640 C ARG A 42 16.417 2.128 18.894 1.00 25.00 C ATOM 641 O ARG A 42 15.647 3.031 19.198 1.00 25.00 O ATOM 642 CB ARG A 42 18.600 1.106 19.629 1.00 25.00 C ATOM 643 CG ARG A 42 20.106 1.137 19.499 1.00 25.00 C ATOM 644 CD ARG A 42 20.664 -0.092 20.100 1.00 25.00 C ATOM 645 NE ARG A 42 22.137 -0.113 20.024 1.00 25.00 N ATOM 646 CZ ARG A 42 22.914 -1.133 20.377 1.00 25.00 C ATOM 647 NH1 ARG A 42 22.427 -2.259 20.842 1.00 25.00 N ATOM 648 NH2 ARG A 42 24.207 -1.018 20.259 1.00 25.00 N ATOM 0 H ARG A 42 17.545 3.537 20.700 1.00 25.00 H new ATOM 0 HA ARG A 42 18.329 2.516 18.030 1.00 25.00 H new ATOM 0 HB2 ARG A 42 18.333 1.031 20.683 1.00 25.00 H new ATOM 0 HB3 ARG A 42 18.217 0.211 19.139 1.00 25.00 H new ATOM 0 HG2 ARG A 42 20.392 1.207 18.450 1.00 25.00 H new ATOM 0 HG3 ARG A 42 20.509 2.018 19.999 1.00 25.00 H new ATOM 0 HD2 ARG A 42 20.352 -0.162 21.142 1.00 25.00 H new ATOM 0 HD3 ARG A 42 20.260 -0.965 19.587 1.00 25.00 H new ATOM 0 HE ARG A 42 22.598 0.725 19.671 1.00 25.00 H new ATOM 0 HH11 ARG A 42 21.419 -2.375 20.944 1.00 25.00 H new ATOM 0 HH12 ARG A 42 23.057 -3.018 21.102 1.00 25.00 H new ATOM 0 HH21 ARG A 42 24.611 -0.153 19.900 1.00 25.00 H new ATOM 0 HH22 ARG A 42 24.814 -1.793 20.526 1.00 25.00 H new ATOM 662 N GLY A 43 15.995 0.944 18.479 1.00 25.00 N ATOM 663 CA GLY A 43 14.580 0.632 18.415 1.00 25.00 C ATOM 664 C GLY A 43 13.936 1.148 17.154 1.00 25.00 C ATOM 665 O GLY A 43 14.304 0.739 16.063 1.00 25.00 O ATOM 0 H GLY A 43 16.611 0.187 18.183 1.00 25.00 H new ATOM 0 HA2 GLY A 43 14.446 -0.448 18.473 1.00 25.00 H new ATOM 0 HA3 GLY A 43 14.076 1.063 19.280 1.00 25.00 H new ATOM 669 N ILE A 44 12.986 2.054 17.298 1.00 25.00 N ATOM 670 CA ILE A 44 12.226 2.580 16.160 1.00 25.00 C ATOM 671 C ILE A 44 13.130 3.274 15.139 1.00 25.00 C ATOM 672 O ILE A 44 12.906 3.168 13.947 1.00 25.00 O ATOM 673 CB ILE A 44 11.085 3.545 16.637 1.00 25.00 C ATOM 674 CG1 ILE A 44 10.172 3.945 15.468 1.00 25.00 C ATOM 675 CG2 ILE A 44 11.651 4.814 17.272 1.00 25.00 C ATOM 676 CD1 ILE A 44 9.148 2.904 15.089 1.00 25.00 C ATOM 0 H ILE A 44 12.715 2.449 18.198 1.00 25.00 H new ATOM 0 HA ILE A 44 11.767 1.726 15.663 1.00 25.00 H new ATOM 0 HB ILE A 44 10.507 2.999 17.382 1.00 25.00 H new ATOM 0 HG12 ILE A 44 9.654 4.868 15.728 1.00 25.00 H new ATOM 0 HG13 ILE A 44 10.791 4.161 14.597 1.00 25.00 H new ATOM 0 HG21 ILE A 44 10.831 5.458 17.590 1.00 25.00 H new ATOM 0 HG22 ILE A 44 12.260 4.548 18.136 1.00 25.00 H new ATOM 0 HG23 ILE A 44 12.266 5.342 16.543 1.00 25.00 H new ATOM 0 HD11 ILE A 44 8.548 3.270 14.256 1.00 25.00 H new ATOM 0 HD12 ILE A 44 9.655 1.985 14.795 1.00 25.00 H new ATOM 0 HD13 ILE A 44 8.500 2.703 15.942 1.00 25.00 H new ATOM 688 N VAL A 45 14.198 3.919 15.581 1.00 25.00 N ATOM 689 CA VAL A 45 15.108 4.569 14.643 1.00 25.00 C ATOM 690 C VAL A 45 15.779 3.504 13.770 1.00 25.00 C ATOM 691 O VAL A 45 16.027 3.719 12.600 1.00 25.00 O ATOM 692 CB VAL A 45 16.129 5.494 15.382 1.00 25.00 C ATOM 693 CG1 VAL A 45 16.964 4.718 16.381 1.00 25.00 C ATOM 694 CG2 VAL A 45 17.016 6.236 14.389 1.00 25.00 C ATOM 0 H VAL A 45 14.456 4.008 16.564 1.00 25.00 H new ATOM 0 HA VAL A 45 14.544 5.231 13.985 1.00 25.00 H new ATOM 0 HB VAL A 45 15.554 6.233 15.939 1.00 25.00 H new ATOM 0 HG11 VAL A 45 17.662 5.394 16.875 1.00 25.00 H new ATOM 0 HG12 VAL A 45 16.311 4.263 17.126 1.00 25.00 H new ATOM 0 HG13 VAL A 45 17.521 3.938 15.862 1.00 25.00 H new ATOM 0 HG21 VAL A 45 17.716 6.872 14.931 1.00 25.00 H new ATOM 0 HG22 VAL A 45 17.571 5.516 13.788 1.00 25.00 H new ATOM 0 HG23 VAL A 45 16.396 6.852 13.737 1.00 25.00 H new ATOM 704 N GLU A 46 15.979 2.311 14.304 1.00 25.00 N ATOM 705 CA GLU A 46 16.569 1.233 13.521 1.00 25.00 C ATOM 706 C GLU A 46 15.539 0.615 12.581 1.00 25.00 C ATOM 707 O GLU A 46 15.893 0.076 11.546 1.00 25.00 O ATOM 708 CB GLU A 46 17.151 0.169 14.443 1.00 25.00 C ATOM 709 CG GLU A 46 18.177 0.733 15.419 1.00 25.00 C ATOM 710 CD GLU A 46 18.880 -0.338 16.192 1.00 25.00 C ATOM 711 OE1 GLU A 46 18.341 -0.994 17.043 1.00 25.00 O ATOM 712 OE2 GLU A 46 20.136 -0.453 15.900 1.00 25.00 O ATOM 0 H GLU A 46 15.745 2.064 15.266 1.00 25.00 H new ATOM 0 HA GLU A 46 17.373 1.652 12.915 1.00 25.00 H new ATOM 0 HB2 GLU A 46 16.343 -0.302 15.003 1.00 25.00 H new ATOM 0 HB3 GLU A 46 17.618 -0.611 13.842 1.00 25.00 H new ATOM 0 HG2 GLU A 46 18.911 1.322 14.869 1.00 25.00 H new ATOM 0 HG3 GLU A 46 17.680 1.411 16.113 1.00 25.00 H new ATOM 719 N GLU A 47 14.267 0.720 12.936 1.00 25.00 N ATOM 720 CA GLU A 47 13.194 0.195 12.092 1.00 25.00 C ATOM 721 C GLU A 47 12.870 1.156 10.950 1.00 25.00 C ATOM 722 O GLU A 47 12.523 0.728 9.869 1.00 25.00 O ATOM 723 CB GLU A 47 11.916 -0.030 12.919 1.00 25.00 C ATOM 724 CG GLU A 47 12.073 -1.020 14.068 1.00 25.00 C ATOM 725 CD GLU A 47 12.467 -2.390 13.600 1.00 25.00 C ATOM 726 OE1 GLU A 47 11.777 -3.076 12.915 1.00 25.00 O ATOM 727 OE2 GLU A 47 13.625 -2.768 14.042 1.00 25.00 O ATOM 0 H GLU A 47 13.949 1.162 13.799 1.00 25.00 H new ATOM 0 HA GLU A 47 13.542 -0.752 11.679 1.00 25.00 H new ATOM 0 HB2 GLU A 47 11.587 0.927 13.323 1.00 25.00 H new ATOM 0 HB3 GLU A 47 11.127 -0.384 12.256 1.00 25.00 H new ATOM 0 HG2 GLU A 47 12.825 -0.647 14.763 1.00 25.00 H new ATOM 0 HG3 GLU A 47 11.134 -1.084 14.618 1.00 25.00 H new ATOM 734 N CYS A 48 12.939 2.453 11.218 1.00 25.00 N ATOM 735 CA CYS A 48 12.475 3.462 10.260 1.00 25.00 C ATOM 736 C CYS A 48 13.549 4.323 9.590 1.00 25.00 C ATOM 737 O CYS A 48 13.266 4.951 8.585 1.00 25.00 O ATOM 738 CB CYS A 48 11.490 4.388 10.964 1.00 25.00 C ATOM 739 SG CYS A 48 10.074 3.514 11.702 1.00 25.00 S ATOM 0 H CYS A 48 13.310 2.836 12.087 1.00 25.00 H new ATOM 0 HA CYS A 48 12.030 2.885 9.449 1.00 25.00 H new ATOM 0 HB2 CYS A 48 12.015 4.938 11.745 1.00 25.00 H new ATOM 0 HB3 CYS A 48 11.121 5.124 10.250 1.00 25.00 H new ATOM 744 N CYS A 49 14.756 4.376 10.139 1.00 25.00 N ATOM 745 CA CYS A 49 15.842 5.167 9.527 1.00 25.00 C ATOM 746 C CYS A 49 16.885 4.253 8.892 1.00 25.00 C ATOM 747 O CYS A 49 17.329 4.478 7.775 1.00 25.00 O ATOM 748 CB CYS A 49 16.511 6.071 10.574 1.00 25.00 C ATOM 749 SG CYS A 49 17.645 7.311 9.866 1.00 25.00 S ATOM 0 H CYS A 49 15.016 3.890 10.997 1.00 25.00 H new ATOM 0 HA CYS A 49 15.403 5.792 8.750 1.00 25.00 H new ATOM 0 HB2 CYS A 49 15.737 6.585 11.143 1.00 25.00 H new ATOM 0 HB3 CYS A 49 17.063 5.448 11.277 1.00 25.00 H new ATOM 754 N PHE A 50 17.263 3.202 9.611 1.00 25.00 N ATOM 755 CA PHE A 50 18.237 2.234 9.094 1.00 25.00 C ATOM 756 C PHE A 50 17.531 1.225 8.184 1.00 25.00 C ATOM 757 O PHE A 50 18.176 0.486 7.438 1.00 25.00 O ATOM 758 CB PHE A 50 18.927 1.492 10.247 1.00 25.00 C ATOM 759 CG PHE A 50 19.837 2.364 11.086 1.00 25.00 C ATOM 760 CD1 PHE A 50 21.234 2.304 10.922 1.00 25.00 C ATOM 761 CD2 PHE A 50 19.308 3.242 12.053 1.00 25.00 C ATOM 762 CE1 PHE A 50 22.092 3.110 11.719 1.00 25.00 C ATOM 763 CE2 PHE A 50 20.150 4.046 12.851 1.00 25.00 C ATOM 764 CZ PHE A 50 21.540 3.981 12.686 1.00 25.00 C ATOM 0 H PHE A 50 16.916 2.995 10.547 1.00 25.00 H new ATOM 0 HA PHE A 50 18.993 2.774 8.524 1.00 25.00 H new ATOM 0 HB2 PHE A 50 18.164 1.055 10.892 1.00 25.00 H new ATOM 0 HB3 PHE A 50 19.509 0.667 9.837 1.00 25.00 H new ATOM 0 HD1 PHE A 50 21.658 1.639 10.184 1.00 25.00 H new ATOM 0 HD2 PHE A 50 18.238 3.301 12.186 1.00 25.00 H new ATOM 0 HE1 PHE A 50 23.162 3.057 11.586 1.00 25.00 H new ATOM 0 HE2 PHE A 50 19.723 4.710 13.588 1.00 25.00 H new ATOM 0 HZ PHE A 50 22.187 4.594 13.295 1.00 25.00 H new ATOM 774 N ARG A 51 16.205 1.196 8.271 1.00 25.00 N ATOM 775 CA ARG A 51 15.344 0.326 7.458 1.00 25.00 C ATOM 776 C ARG A 51 14.106 1.164 7.173 1.00 25.00 C ATOM 777 O ARG A 51 14.099 2.338 7.500 1.00 25.00 O ATOM 778 CB ARG A 51 14.965 -0.969 8.211 1.00 25.00 C ATOM 779 CG ARG A 51 16.143 -1.889 8.535 1.00 25.00 C ATOM 780 CD ARG A 51 16.810 -2.427 7.268 1.00 25.00 C ATOM 781 NE ARG A 51 18.044 -3.172 7.572 1.00 25.00 N ATOM 782 CZ ARG A 51 19.075 -3.312 6.745 1.00 25.00 C ATOM 783 NH1 ARG A 51 19.092 -2.779 5.547 1.00 25.00 N ATOM 784 NH2 ARG A 51 20.116 -3.996 7.133 1.00 25.00 N ATOM 0 H ARG A 51 15.683 1.786 8.919 1.00 25.00 H new ATOM 0 HA ARG A 51 15.848 0.001 6.548 1.00 25.00 H new ATOM 0 HB2 ARG A 51 14.466 -0.699 9.142 1.00 25.00 H new ATOM 0 HB3 ARG A 51 14.243 -1.523 7.612 1.00 25.00 H new ATOM 0 HG2 ARG A 51 16.877 -1.344 9.129 1.00 25.00 H new ATOM 0 HG3 ARG A 51 15.796 -2.723 9.145 1.00 25.00 H new ATOM 0 HD2 ARG A 51 16.114 -3.078 6.739 1.00 25.00 H new ATOM 0 HD3 ARG A 51 17.042 -1.598 6.599 1.00 25.00 H new ATOM 0 HE ARG A 51 18.112 -3.615 8.488 1.00 25.00 H new ATOM 0 HH11 ARG A 51 18.294 -2.234 5.220 1.00 25.00 H new ATOM 0 HH12 ARG A 51 19.903 -2.910 4.942 1.00 25.00 H new ATOM 0 HH21 ARG A 51 20.133 -4.416 8.062 1.00 25.00 H new ATOM 0 HH22 ARG A 51 20.913 -4.110 6.507 1.00 25.00 H new ATOM 798 N SER A 52 13.081 0.566 6.591 1.00 25.00 N ATOM 799 CA SER A 52 11.822 1.259 6.298 1.00 25.00 C ATOM 800 C SER A 52 10.743 0.643 7.182 1.00 25.00 C ATOM 801 O SER A 52 10.858 -0.523 7.568 1.00 25.00 O ATOM 802 CB SER A 52 11.467 1.092 4.817 1.00 25.00 C ATOM 803 OG SER A 52 10.217 1.679 4.508 1.00 25.00 O ATOM 0 H SER A 52 13.090 -0.413 6.305 1.00 25.00 H new ATOM 0 HA SER A 52 11.910 2.326 6.501 1.00 25.00 H new ATOM 0 HB2 SER A 52 12.244 1.547 4.203 1.00 25.00 H new ATOM 0 HB3 SER A 52 11.443 0.032 4.566 1.00 25.00 H new ATOM 0 HG SER A 52 10.278 2.652 4.610 1.00 25.00 H new ATOM 809 N CYS A 53 9.720 1.418 7.521 1.00 25.00 N ATOM 810 CA CYS A 53 8.655 0.956 8.406 1.00 25.00 C ATOM 811 C CYS A 53 7.317 1.563 8.002 1.00 25.00 C ATOM 812 O CYS A 53 7.264 2.577 7.316 1.00 25.00 O ATOM 813 CB CYS A 53 8.970 1.364 9.846 1.00 25.00 C ATOM 814 SG CYS A 53 8.843 3.160 10.132 1.00 25.00 S ATOM 0 H CYS A 53 9.604 2.377 7.194 1.00 25.00 H new ATOM 0 HA CYS A 53 8.591 -0.129 8.328 1.00 25.00 H new ATOM 0 HB2 CYS A 53 8.287 0.847 10.520 1.00 25.00 H new ATOM 0 HB3 CYS A 53 9.978 1.034 10.098 1.00 25.00 H new ATOM 819 N ASP A 54 6.245 0.948 8.479 1.00 25.00 N ATOM 820 CA ASP A 54 4.882 1.429 8.239 1.00 25.00 C ATOM 821 C ASP A 54 4.378 2.141 9.482 1.00 25.00 C ATOM 822 O ASP A 54 4.894 1.914 10.575 1.00 25.00 O ATOM 823 CB ASP A 54 3.953 0.249 7.959 1.00 25.00 C ATOM 824 CG ASP A 54 4.081 -0.262 6.547 1.00 25.00 C ATOM 825 OD1 ASP A 54 4.450 -1.438 6.372 1.00 25.00 O ATOM 826 OD2 ASP A 54 3.776 0.507 5.617 1.00 25.00 O ATOM 0 H ASP A 54 6.290 0.100 9.044 1.00 25.00 H new ATOM 0 HA ASP A 54 4.892 2.105 7.384 1.00 25.00 H new ATOM 0 HB2 ASP A 54 4.176 -0.559 8.656 1.00 25.00 H new ATOM 0 HB3 ASP A 54 2.922 0.551 8.141 1.00 25.00 H new ATOM 831 N LEU A 55 3.310 2.919 9.339 1.00 25.00 N ATOM 832 CA LEU A 55 2.671 3.588 10.485 1.00 25.00 C ATOM 833 C LEU A 55 2.204 2.565 11.511 1.00 25.00 C ATOM 834 O LEU A 55 2.165 2.829 12.705 1.00 25.00 O ATOM 835 CB LEU A 55 1.485 4.448 10.001 1.00 25.00 C ATOM 836 CG LEU A 55 0.022 4.147 10.404 1.00 25.00 C ATOM 837 CD1 LEU A 55 -0.799 5.433 10.309 1.00 25.00 C ATOM 838 CD2 LEU A 55 -0.619 3.093 9.484 1.00 25.00 C ATOM 0 H LEU A 55 2.862 3.107 8.442 1.00 25.00 H new ATOM 0 HA LEU A 55 3.404 4.238 10.962 1.00 25.00 H new ATOM 0 HB2 LEU A 55 1.692 5.471 10.317 1.00 25.00 H new ATOM 0 HB3 LEU A 55 1.517 4.438 8.912 1.00 25.00 H new ATOM 0 HG LEU A 55 0.031 3.759 11.422 1.00 25.00 H new ATOM 0 HD11 LEU A 55 -1.831 5.227 10.592 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.381 6.182 10.981 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -0.771 5.808 9.286 1.00 25.00 H new ATOM 0 HD21 LEU A 55 -1.646 2.910 9.801 1.00 25.00 H new ATOM 0 HD22 LEU A 55 -0.615 3.456 8.456 1.00 25.00 H new ATOM 0 HD23 LEU A 55 -0.050 2.165 9.543 1.00 25.00 H new ATOM 850 N ALA A 56 1.866 1.385 11.024 1.00 25.00 N ATOM 851 CA ALA A 56 1.368 0.317 11.863 1.00 25.00 C ATOM 852 C ALA A 56 2.493 -0.252 12.736 1.00 25.00 C ATOM 853 O ALA A 56 2.311 -0.496 13.923 1.00 25.00 O ATOM 854 CB ALA A 56 0.766 -0.748 10.968 1.00 25.00 C ATOM 0 H ALA A 56 1.930 1.143 10.035 1.00 25.00 H new ATOM 0 HA ALA A 56 0.602 0.695 12.540 1.00 25.00 H new ATOM 0 HB1 ALA A 56 0.384 -1.564 11.581 1.00 25.00 H new ATOM 0 HB2 ALA A 56 -0.050 -0.317 10.388 1.00 25.00 H new ATOM 0 HB3 ALA A 56 1.531 -1.129 10.291 1.00 25.00 H new ATOM 860 N LEU A 57 3.671 -0.410 12.144 1.00 25.00 N ATOM 861 CA LEU A 57 4.853 -0.875 12.871 1.00 25.00 C ATOM 862 C LEU A 57 5.242 0.201 13.877 1.00 25.00 C ATOM 863 O LEU A 57 5.556 -0.069 15.032 1.00 25.00 O ATOM 864 CB LEU A 57 5.994 -1.120 11.866 1.00 25.00 C ATOM 865 CG LEU A 57 7.289 -1.786 12.369 1.00 25.00 C ATOM 866 CD1 LEU A 57 8.047 -2.352 11.168 1.00 25.00 C ATOM 867 CD2 LEU A 57 8.215 -0.841 13.142 1.00 25.00 C ATOM 0 H LEU A 57 3.837 -0.222 11.155 1.00 25.00 H new ATOM 0 HA LEU A 57 4.650 -1.807 13.398 1.00 25.00 H new ATOM 0 HB2 LEU A 57 5.597 -1.735 11.058 1.00 25.00 H new ATOM 0 HB3 LEU A 57 6.264 -0.158 11.431 1.00 25.00 H new ATOM 0 HG LEU A 57 6.990 -2.567 13.068 1.00 25.00 H new ATOM 0 HD11 LEU A 57 8.967 -2.827 11.509 1.00 25.00 H new ATOM 0 HD12 LEU A 57 7.425 -3.089 10.660 1.00 25.00 H new ATOM 0 HD13 LEU A 57 8.290 -1.544 10.478 1.00 25.00 H new ATOM 0 HD21 LEU A 57 9.104 -1.384 13.462 1.00 25.00 H new ATOM 0 HD22 LEU A 57 8.509 -0.012 12.498 1.00 25.00 H new ATOM 0 HD23 LEU A 57 7.692 -0.454 14.016 1.00 25.00 H new ATOM 879 N LEU A 58 5.202 1.434 13.416 1.00 25.00 N ATOM 880 CA LEU A 58 5.568 2.589 14.193 1.00 25.00 C ATOM 881 C LEU A 58 4.692 2.798 15.433 1.00 25.00 C ATOM 882 O LEU A 58 5.191 3.149 16.504 1.00 25.00 O ATOM 883 CB LEU A 58 5.494 3.766 13.230 1.00 25.00 C ATOM 884 CG LEU A 58 6.046 5.084 13.711 1.00 25.00 C ATOM 885 CD1 LEU A 58 6.798 5.768 12.587 1.00 25.00 C ATOM 886 CD2 LEU A 58 4.918 5.956 14.188 1.00 25.00 C ATOM 0 H LEU A 58 4.906 1.661 12.467 1.00 25.00 H new ATOM 0 HA LEU A 58 6.568 2.467 14.608 1.00 25.00 H new ATOM 0 HB2 LEU A 58 6.023 3.490 12.318 1.00 25.00 H new ATOM 0 HB3 LEU A 58 4.449 3.916 12.959 1.00 25.00 H new ATOM 0 HG LEU A 58 6.735 4.909 14.537 1.00 25.00 H new ATOM 0 HD11 LEU A 58 7.194 6.720 12.941 1.00 25.00 H new ATOM 0 HD12 LEU A 58 7.620 5.132 12.259 1.00 25.00 H new ATOM 0 HD13 LEU A 58 6.121 5.945 11.751 1.00 25.00 H new ATOM 0 HD21 LEU A 58 5.317 6.909 14.536 1.00 25.00 H new ATOM 0 HD22 LEU A 58 4.222 6.132 13.368 1.00 25.00 H new ATOM 0 HD23 LEU A 58 4.396 5.461 15.007 1.00 25.00 H new ATOM 898 N GLU A 59 3.405 2.526 15.300 1.00 25.00 N ATOM 899 CA GLU A 59 2.445 2.664 16.396 1.00 25.00 C ATOM 900 C GLU A 59 2.759 1.745 17.588 1.00 25.00 C ATOM 901 O GLU A 59 2.444 2.067 18.728 1.00 25.00 O ATOM 902 CB GLU A 59 1.044 2.366 15.842 1.00 25.00 C ATOM 903 CG GLU A 59 -0.094 2.461 16.849 1.00 25.00 C ATOM 904 CD GLU A 59 -0.566 1.109 17.311 1.00 25.00 C ATOM 905 OE1 GLU A 59 -0.250 0.602 18.346 1.00 25.00 O ATOM 906 OE2 GLU A 59 -1.346 0.526 16.472 1.00 25.00 O ATOM 0 H GLU A 59 2.989 2.201 14.427 1.00 25.00 H new ATOM 0 HA GLU A 59 2.505 3.682 16.780 1.00 25.00 H new ATOM 0 HB2 GLU A 59 0.841 3.058 15.025 1.00 25.00 H new ATOM 0 HB3 GLU A 59 1.047 1.362 15.417 1.00 25.00 H new ATOM 0 HG2 GLU A 59 0.235 3.042 17.711 1.00 25.00 H new ATOM 0 HG3 GLU A 59 -0.928 3.000 16.400 1.00 25.00 H new ATOM 914 N THR A 60 3.430 0.631 17.343 1.00 25.00 N ATOM 915 CA THR A 60 3.757 -0.318 18.416 1.00 25.00 C ATOM 916 C THR A 60 4.667 0.272 19.497 1.00 25.00 C ATOM 917 O THR A 60 4.792 -0.283 20.590 1.00 25.00 O ATOM 918 CB THR A 60 4.401 -1.603 17.866 1.00 25.00 C ATOM 919 OG1 THR A 60 5.713 -1.319 17.374 1.00 25.00 O ATOM 920 CG2 THR A 60 3.564 -2.174 16.729 1.00 25.00 C ATOM 0 H THR A 60 3.761 0.355 16.419 1.00 25.00 H new ATOM 0 HA THR A 60 2.799 -0.556 18.879 1.00 25.00 H new ATOM 0 HB THR A 60 4.457 -2.330 18.676 1.00 25.00 H new ATOM 0 HG1 THR A 60 5.653 -0.992 16.452 1.00 25.00 H new ATOM 0 HG21 THR A 60 4.034 -3.082 16.352 1.00 25.00 H new ATOM 0 HG22 THR A 60 2.564 -2.408 17.095 1.00 25.00 H new ATOM 0 HG23 THR A 60 3.494 -1.441 15.925 1.00 25.00 H new ATOM 928 N TYR A 61 5.331 1.375 19.183 1.00 25.00 N ATOM 929 CA TYR A 61 6.220 2.038 20.131 1.00 25.00 C ATOM 930 C TYR A 61 5.514 3.088 21.001 1.00 25.00 C ATOM 931 O TYR A 61 6.164 3.740 21.809 1.00 25.00 O ATOM 932 CB TYR A 61 7.374 2.697 19.371 1.00 25.00 C ATOM 933 CG TYR A 61 8.472 1.722 19.007 1.00 25.00 C ATOM 934 CD1 TYR A 61 9.602 1.586 19.836 1.00 25.00 C ATOM 935 CD2 TYR A 61 8.398 0.936 17.836 1.00 25.00 C ATOM 936 CE1 TYR A 61 10.643 0.680 19.508 1.00 25.00 C ATOM 937 CE2 TYR A 61 9.446 0.038 17.495 1.00 25.00 C ATOM 938 CZ TYR A 61 10.554 -0.085 18.338 1.00 25.00 C ATOM 939 OH TYR A 61 11.560 -0.959 18.015 1.00 25.00 O ATOM 0 H TYR A 61 5.271 1.833 18.274 1.00 25.00 H new ATOM 0 HA TYR A 61 6.588 1.267 20.808 1.00 25.00 H new ATOM 0 HB2 TYR A 61 6.988 3.157 18.462 1.00 25.00 H new ATOM 0 HB3 TYR A 61 7.793 3.498 19.980 1.00 25.00 H new ATOM 0 HD1 TYR A 61 9.677 2.180 20.735 1.00 25.00 H new ATOM 0 HD2 TYR A 61 7.535 1.018 17.192 1.00 25.00 H new ATOM 0 HE1 TYR A 61 11.500 0.580 20.157 1.00 25.00 H new ATOM 0 HE2 TYR A 61 9.386 -0.546 16.589 1.00 25.00 H new ATOM 0 HH TYR A 61 11.342 -1.412 17.174 1.00 25.00 H new ATOM 949 N CYS A 62 4.211 3.273 20.848 1.00 25.00 N ATOM 950 CA CYS A 62 3.496 4.289 21.632 1.00 25.00 C ATOM 951 C CYS A 62 3.476 4.005 23.136 1.00 25.00 C ATOM 952 O CYS A 62 3.663 2.877 23.576 1.00 25.00 O ATOM 953 CB CYS A 62 2.077 4.435 21.121 1.00 25.00 C ATOM 954 SG CYS A 62 2.057 5.087 19.428 1.00 25.00 S ATOM 0 H CYS A 62 3.627 2.745 20.199 1.00 25.00 H new ATOM 0 HA CYS A 62 4.048 5.220 21.499 1.00 25.00 H new ATOM 0 HB2 CYS A 62 1.576 3.467 21.147 1.00 25.00 H new ATOM 0 HB3 CYS A 62 1.517 5.101 21.777 1.00 25.00 H new ATOM 959 N ALA A 63 3.303 5.063 23.920 1.00 25.00 N ATOM 960 CA ALA A 63 3.381 4.964 25.376 1.00 25.00 C ATOM 961 C ALA A 63 2.070 4.542 26.033 1.00 25.00 C ATOM 962 O ALA A 63 2.053 3.747 26.965 1.00 25.00 O ATOM 963 CB ALA A 63 3.826 6.308 25.949 1.00 25.00 C ATOM 0 H ALA A 63 3.107 6.002 23.573 1.00 25.00 H new ATOM 0 HA ALA A 63 4.106 4.181 25.598 1.00 25.00 H new ATOM 0 HB1 ALA A 63 3.886 6.239 27.035 1.00 25.00 H new ATOM 0 HB2 ALA A 63 4.805 6.568 25.548 1.00 25.00 H new ATOM 0 HB3 ALA A 63 3.105 7.078 25.674 1.00 25.00 H new ATOM 969 N THR A 64 0.995 5.164 25.587 1.00 25.00 N ATOM 970 CA THR A 64 -0.327 4.987 26.182 1.00 25.00 C ATOM 971 C THR A 64 -1.342 5.492 25.136 1.00 25.00 C ATOM 972 O THR A 64 -0.991 6.328 24.294 1.00 25.00 O ATOM 973 CB THR A 64 -0.420 5.782 27.543 1.00 25.00 C ATOM 974 OG1 THR A 64 -1.489 5.280 28.346 1.00 25.00 O ATOM 975 CG2 THR A 64 -0.651 7.248 27.332 1.00 25.00 C ATOM 0 H THR A 64 1.009 5.811 24.798 1.00 25.00 H new ATOM 0 HA THR A 64 -0.533 3.945 26.427 1.00 25.00 H new ATOM 0 HB THR A 64 0.538 5.642 28.043 1.00 25.00 H new ATOM 0 HG1 THR A 64 -1.531 5.783 29.186 1.00 25.00 H new ATOM 0 HG21 THR A 64 -0.707 7.750 28.298 1.00 25.00 H new ATOM 0 HG22 THR A 64 0.172 7.666 26.753 1.00 25.00 H new ATOM 0 HG23 THR A 64 -1.586 7.395 26.792 1.00 25.00 H new ATOM 983 N PRO A 65 -2.580 4.964 25.131 1.00 25.00 N ATOM 984 CA PRO A 65 -3.587 5.395 24.152 1.00 25.00 C ATOM 985 C PRO A 65 -4.229 6.750 24.467 1.00 25.00 C ATOM 986 O PRO A 65 -4.071 7.305 25.558 1.00 25.00 O ATOM 987 CB PRO A 65 -4.638 4.287 24.252 1.00 25.00 C ATOM 988 CG PRO A 65 -4.591 3.893 25.677 1.00 25.00 C ATOM 989 CD PRO A 65 -3.119 3.915 26.014 1.00 25.00 C ATOM 0 HA PRO A 65 -3.145 5.535 23.166 1.00 25.00 H new ATOM 0 HB2 PRO A 65 -5.627 4.645 23.967 1.00 25.00 H new ATOM 0 HB3 PRO A 65 -4.401 3.449 23.596 1.00 25.00 H new ATOM 0 HG2 PRO A 65 -5.154 4.587 26.302 1.00 25.00 H new ATOM 0 HG3 PRO A 65 -5.021 2.904 25.832 1.00 25.00 H new ATOM 0 HD2 PRO A 65 -2.951 4.150 27.065 1.00 25.00 H new ATOM 0 HD3 PRO A 65 -2.649 2.950 25.824 1.00 25.00 H new ATOM 997 N ALA A 66 -4.995 7.258 23.512 1.00 25.00 N ATOM 998 CA ALA A 66 -5.770 8.475 23.708 1.00 25.00 C ATOM 999 C ALA A 66 -7.106 8.098 24.358 1.00 25.00 C ATOM 1000 O ALA A 66 -7.560 6.967 24.234 1.00 25.00 O ATOM 1001 CB ALA A 66 -6.005 9.164 22.356 1.00 25.00 C ATOM 0 H ALA A 66 -5.097 6.842 22.586 1.00 25.00 H new ATOM 0 HA ALA A 66 -5.231 9.168 24.355 1.00 25.00 H new ATOM 0 HB1 ALA A 66 -6.585 10.074 22.507 1.00 25.00 H new ATOM 0 HB2 ALA A 66 -5.045 9.416 21.905 1.00 25.00 H new ATOM 0 HB3 ALA A 66 -6.551 8.491 21.695 1.00 25.00 H new ATOM 1007 N LYS A 67 -7.763 9.063 24.991 1.00 25.00 N ATOM 1008 CA LYS A 67 -9.086 8.843 25.602 1.00 25.00 C ATOM 1009 C LYS A 67 -10.209 9.008 24.562 1.00 25.00 C ATOM 1010 O LYS A 67 -11.209 9.675 24.806 1.00 25.00 O ATOM 1011 CB LYS A 67 -9.300 9.800 26.789 1.00 25.00 C ATOM 1012 CG LYS A 67 -9.191 11.300 26.457 1.00 25.00 C ATOM 1013 CD LYS A 67 -9.916 12.127 27.514 1.00 25.00 C ATOM 1014 CE LYS A 67 -10.047 13.582 27.081 1.00 25.00 C ATOM 1015 NZ LYS A 67 -10.869 14.366 28.069 1.00 25.00 N ATOM 0 H LYS A 67 -7.406 10.012 25.099 1.00 25.00 H new ATOM 0 HA LYS A 67 -9.120 7.819 25.974 1.00 25.00 H new ATOM 0 HB2 LYS A 67 -10.286 9.610 27.214 1.00 25.00 H new ATOM 0 HB3 LYS A 67 -8.569 9.562 27.562 1.00 25.00 H new ATOM 0 HG2 LYS A 67 -8.143 11.594 26.410 1.00 25.00 H new ATOM 0 HG3 LYS A 67 -9.621 11.495 25.474 1.00 25.00 H new ATOM 0 HD2 LYS A 67 -10.906 11.707 27.692 1.00 25.00 H new ATOM 0 HD3 LYS A 67 -9.373 12.073 28.457 1.00 25.00 H new ATOM 0 HE2 LYS A 67 -9.057 14.029 26.990 1.00 25.00 H new ATOM 0 HE3 LYS A 67 -10.511 13.632 26.096 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 -10.944 15.354 27.752 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 -11.820 13.951 28.136 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 -10.412 14.336 29.003 1.00 25.00 H new ATOM 1029 N SER A 68 -10.004 8.431 23.391 1.00 25.00 N ATOM 1030 CA SER A 68 -10.949 8.540 22.283 1.00 25.00 C ATOM 1031 C SER A 68 -12.099 7.545 22.442 1.00 25.00 C ATOM 1032 O SER A 68 -12.124 6.501 21.792 1.00 25.00 O ATOM 1033 CB SER A 68 -10.205 8.276 20.977 1.00 25.00 C ATOM 1034 OG SER A 68 -9.340 7.164 21.129 1.00 25.00 O ATOM 0 H SER A 68 -9.178 7.872 23.177 1.00 25.00 H new ATOM 0 HA SER A 68 -11.376 9.543 22.275 1.00 25.00 H new ATOM 0 HB2 SER A 68 -10.918 8.086 20.175 1.00 25.00 H new ATOM 0 HB3 SER A 68 -9.631 9.157 20.691 1.00 25.00 H new ATOM 0 HG SER A 68 -9.856 6.387 21.431 1.00 25.00 H new ATOM 1040 N GLU A 69 -13.030 7.875 23.326 1.00 25.00 N ATOM 1041 CA GLU A 69 -14.221 7.068 23.588 1.00 25.00 C ATOM 1042 C GLU A 69 -15.362 8.048 23.812 1.00 25.00 C ATOM 1043 O GLU A 69 -16.532 7.681 23.594 1.00 25.00 O ATOM 1044 CB GLU A 69 -14.038 6.204 24.842 1.00 25.00 C ATOM 1045 CG GLU A 69 -12.952 5.142 24.716 1.00 25.00 C ATOM 1046 CD GLU A 69 -12.862 4.267 25.932 1.00 25.00 C ATOM 1047 OE1 GLU A 69 -11.921 4.250 26.679 1.00 25.00 O ATOM 1048 OE2 GLU A 69 -13.891 3.515 26.108 1.00 25.00 O ATOM 1049 OXT GLU A 69 -15.043 9.195 24.201 1.00 25.00 O ATOM 0 H GLU A 69 -12.982 8.723 23.891 1.00 25.00 H new ATOM 0 HA GLU A 69 -14.416 6.395 22.753 1.00 25.00 H new ATOM 0 HB2 GLU A 69 -13.800 6.853 25.685 1.00 25.00 H new ATOM 0 HB3 GLU A 69 -14.984 5.715 25.074 1.00 25.00 H new ATOM 0 HG2 GLU A 69 -13.152 4.524 23.841 1.00 25.00 H new ATOM 0 HG3 GLU A 69 -11.991 5.628 24.550 1.00 25.00 H new TER 1056 GLU A 69