USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 449 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 3 MET CE :methyl -161:sc= -0.0239 (180deg=-0.211) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 74:sc= 1.26 USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= -0.252 (180deg=-0.943) USER MOD Single : A 53 THR OG1 : rot -95:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 3 6.136 1.785 0.391 1.00 0.00 N ATOM 20 CA MET A 3 6.345 1.994 1.819 1.00 0.00 C ATOM 21 C MET A 3 7.618 2.796 2.071 1.00 0.00 C ATOM 22 O MET A 3 7.579 3.864 2.679 1.00 0.00 O ATOM 23 CB MET A 3 6.422 0.651 2.547 1.00 0.00 C ATOM 24 CG MET A 3 5.563 0.588 3.800 1.00 0.00 C ATOM 25 SD MET A 3 4.650 -0.961 3.939 1.00 0.00 S ATOM 26 CE MET A 3 3.470 -0.779 2.604 1.00 0.00 C ATOM 0 HA MET A 3 5.498 2.560 2.205 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.113 -0.141 1.865 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.459 0.453 2.817 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.198 0.711 4.678 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.860 1.421 3.796 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.637 -1.465 2.759 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.098 0.245 2.584 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.956 -1.007 1.655 1.00 0.00 H new ATOM 36 N GLU A 4 8.745 2.272 1.598 1.00 0.00 N ATOM 37 CA GLU A 4 10.030 2.940 1.774 1.00 0.00 C ATOM 38 C GLU A 4 9.958 4.390 1.304 1.00 0.00 C ATOM 39 O GLU A 4 10.488 5.291 1.953 1.00 0.00 O ATOM 40 CB GLU A 4 11.125 2.197 1.006 1.00 0.00 C ATOM 41 CG GLU A 4 10.717 1.795 -0.401 1.00 0.00 C ATOM 42 CD GLU A 4 11.874 1.241 -1.209 1.00 0.00 C ATOM 43 OE1 GLU A 4 12.781 2.024 -1.560 1.00 0.00 O ATOM 44 OE2 GLU A 4 11.872 0.024 -1.490 1.00 0.00 O ATOM 0 H GLU A 4 8.794 1.388 1.091 1.00 0.00 H new ATOM 0 HA GLU A 4 10.272 2.932 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.011 2.829 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.405 1.303 1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.926 1.047 -0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.301 2.661 -0.916 1.00 0.00 H new ATOM 51 N ARG A 5 9.299 4.606 0.170 1.00 0.00 N ATOM 52 CA ARG A 5 9.159 5.945 -0.389 1.00 0.00 C ATOM 53 C ARG A 5 8.288 6.820 0.508 1.00 0.00 C ATOM 54 O ARG A 5 8.549 8.012 0.673 1.00 0.00 O ATOM 55 CB ARG A 5 8.554 5.874 -1.793 1.00 0.00 C ATOM 56 CG ARG A 5 8.687 7.168 -2.579 1.00 0.00 C ATOM 57 CD ARG A 5 9.819 7.091 -3.591 1.00 0.00 C ATOM 58 NE ARG A 5 9.926 8.312 -4.386 1.00 0.00 N ATOM 59 CZ ARG A 5 9.151 8.580 -5.430 1.00 0.00 C ATOM 60 NH1 ARG A 5 8.215 7.718 -5.804 1.00 0.00 N ATOM 61 NH2 ARG A 5 9.309 9.713 -6.103 1.00 0.00 N ATOM 0 H ARG A 5 8.854 3.871 -0.379 1.00 0.00 H new ATOM 0 HA ARG A 5 10.151 6.392 -0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.038 5.070 -2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.498 5.615 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.750 7.380 -3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.867 7.995 -1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.760 6.914 -3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.656 6.240 -4.253 1.00 0.00 H new ATOM 0 HE ARG A 5 10.636 8.997 -4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.089 6.847 -5.289 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.621 7.927 -6.607 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.027 10.379 -5.818 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.713 9.917 -6.905 1.00 0.00 H new ATOM 75 N LEU A 6 7.252 6.221 1.085 1.00 0.00 N ATOM 76 CA LEU A 6 6.342 6.945 1.965 1.00 0.00 C ATOM 77 C LEU A 6 7.073 7.459 3.201 1.00 0.00 C ATOM 78 O LEU A 6 7.077 8.659 3.477 1.00 0.00 O ATOM 79 CB LEU A 6 5.181 6.042 2.385 1.00 0.00 C ATOM 80 CG LEU A 6 3.778 6.555 2.055 1.00 0.00 C ATOM 81 CD1 LEU A 6 3.473 6.362 0.578 1.00 0.00 C ATOM 82 CD2 LEU A 6 2.737 5.851 2.913 1.00 0.00 C ATOM 0 H LEU A 6 7.021 5.235 0.959 1.00 0.00 H new ATOM 0 HA LEU A 6 5.949 7.801 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.312 5.070 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.243 5.881 3.461 1.00 0.00 H new ATOM 0 HG LEU A 6 3.741 7.622 2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.471 6.733 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.200 6.913 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.529 5.302 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.745 6.229 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.775 4.778 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.944 6.041 3.966 1.00 0.00 H new ATOM 94 N ARG A 7 7.693 6.544 3.939 1.00 0.00 N ATOM 95 CA ARG A 7 8.429 6.906 5.144 1.00 0.00 C ATOM 96 C ARG A 7 9.602 7.823 4.811 1.00 0.00 C ATOM 97 O ARG A 7 9.923 8.737 5.571 1.00 0.00 O ATOM 98 CB ARG A 7 8.936 5.649 5.854 1.00 0.00 C ATOM 99 CG ARG A 7 9.555 5.925 7.214 1.00 0.00 C ATOM 100 CD ARG A 7 8.529 6.479 8.190 1.00 0.00 C ATOM 101 NE ARG A 7 8.935 6.287 9.580 1.00 0.00 N ATOM 102 CZ ARG A 7 8.093 6.334 10.606 1.00 0.00 C ATOM 103 NH1 ARG A 7 6.803 6.564 10.399 1.00 0.00 N ATOM 104 NH2 ARG A 7 8.539 6.149 11.841 1.00 0.00 N ATOM 0 H ARG A 7 7.700 5.547 3.724 1.00 0.00 H new ATOM 0 HA ARG A 7 7.749 7.441 5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.107 4.952 5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.675 5.158 5.221 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.981 5.005 7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.375 6.635 7.105 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.384 7.542 7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.569 5.991 8.022 1.00 0.00 H new ATOM 0 HE ARG A 7 9.920 6.107 9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.456 6.705 9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.158 6.600 11.189 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.530 5.970 12.004 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.891 6.185 12.628 1.00 0.00 H new ATOM 118 N ASP A 8 10.236 7.573 3.671 1.00 0.00 N ATOM 119 CA ASP A 8 11.373 8.376 3.237 1.00 0.00 C ATOM 120 C ASP A 8 10.941 9.806 2.926 1.00 0.00 C ATOM 121 O ASP A 8 11.466 10.762 3.497 1.00 0.00 O ATOM 122 CB ASP A 8 12.027 7.749 2.005 1.00 0.00 C ATOM 123 CG ASP A 8 13.139 8.609 1.438 1.00 0.00 C ATOM 124 OD1 ASP A 8 14.119 8.868 2.168 1.00 0.00 O ATOM 125 OD2 ASP A 8 13.030 9.023 0.265 1.00 0.00 O ATOM 0 H ASP A 8 9.982 6.821 3.031 1.00 0.00 H new ATOM 0 HA ASP A 8 12.099 8.403 4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.427 6.770 2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.270 7.588 1.238 1.00 0.00 H new ATOM 130 N VAL A 9 9.981 9.945 2.017 1.00 0.00 N ATOM 131 CA VAL A 9 9.479 11.257 1.630 1.00 0.00 C ATOM 132 C VAL A 9 8.834 11.970 2.814 1.00 0.00 C ATOM 133 O VAL A 9 9.117 13.138 3.077 1.00 0.00 O ATOM 134 CB VAL A 9 8.451 11.151 0.487 1.00 0.00 C ATOM 135 CG1 VAL A 9 7.899 12.523 0.136 1.00 0.00 C ATOM 136 CG2 VAL A 9 9.078 10.491 -0.732 1.00 0.00 C ATOM 0 H VAL A 9 9.536 9.164 1.535 1.00 0.00 H new ATOM 0 HA VAL A 9 10.337 11.834 1.285 1.00 0.00 H new ATOM 0 HB VAL A 9 7.622 10.528 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.175 12.428 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.411 12.954 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.714 13.173 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.339 10.424 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.926 11.086 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.419 9.490 -0.469 1.00 0.00 H new ATOM 146 N ARG A 10 7.965 11.257 3.524 1.00 0.00 N ATOM 147 CA ARG A 10 7.279 11.822 4.680 1.00 0.00 C ATOM 148 C ARG A 10 8.281 12.352 5.702 1.00 0.00 C ATOM 149 O ARG A 10 8.166 13.486 6.166 1.00 0.00 O ATOM 150 CB ARG A 10 6.380 10.768 5.331 1.00 0.00 C ATOM 151 CG ARG A 10 5.417 11.340 6.358 1.00 0.00 C ATOM 152 CD ARG A 10 4.335 10.337 6.725 1.00 0.00 C ATOM 153 NE ARG A 10 3.189 10.413 5.823 1.00 0.00 N ATOM 154 CZ ARG A 10 2.161 9.574 5.868 1.00 0.00 C ATOM 155 NH1 ARG A 10 2.134 8.601 6.768 1.00 0.00 N ATOM 156 NH2 ARG A 10 1.155 9.708 5.012 1.00 0.00 N ATOM 0 H ARG A 10 7.720 10.288 3.319 1.00 0.00 H new ATOM 0 HA ARG A 10 6.664 12.653 4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.809 10.259 4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.006 10.016 5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.967 11.628 7.254 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.957 12.245 5.962 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.751 9.330 6.699 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.004 10.519 7.748 1.00 0.00 H new ATOM 0 HE ARG A 10 3.178 11.151 5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.904 8.495 7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.343 7.958 6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.171 10.456 4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.366 9.063 5.048 1.00 0.00 H new ATOM 170 N GLU A 11 9.262 11.524 6.046 1.00 0.00 N ATOM 171 CA GLU A 11 10.282 11.910 7.014 1.00 0.00 C ATOM 172 C GLU A 11 11.152 13.038 6.466 1.00 0.00 C ATOM 173 O GLU A 11 11.462 13.996 7.174 1.00 0.00 O ATOM 174 CB GLU A 11 11.156 10.707 7.374 1.00 0.00 C ATOM 175 CG GLU A 11 12.235 11.022 8.397 1.00 0.00 C ATOM 176 CD GLU A 11 12.370 9.943 9.453 1.00 0.00 C ATOM 177 OE1 GLU A 11 12.963 8.887 9.151 1.00 0.00 O ATOM 178 OE2 GLU A 11 11.883 10.156 10.584 1.00 0.00 O ATOM 0 H GLU A 11 9.372 10.583 5.669 1.00 0.00 H new ATOM 0 HA GLU A 11 9.778 12.266 7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.521 9.911 7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.627 10.326 6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.190 11.147 7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.006 11.972 8.880 1.00 0.00 H new ATOM 185 N ARG A 12 11.541 12.917 5.201 1.00 0.00 N ATOM 186 CA ARG A 12 12.376 13.924 4.559 1.00 0.00 C ATOM 187 C ARG A 12 11.684 15.284 4.559 1.00 0.00 C ATOM 188 O ARG A 12 12.298 16.306 4.870 1.00 0.00 O ATOM 189 CB ARG A 12 12.704 13.507 3.124 1.00 0.00 C ATOM 190 CG ARG A 12 13.912 12.592 3.017 1.00 0.00 C ATOM 191 CD ARG A 12 15.183 13.378 2.736 1.00 0.00 C ATOM 192 NE ARG A 12 16.082 12.662 1.835 1.00 0.00 N ATOM 193 CZ ARG A 12 16.840 11.639 2.213 1.00 0.00 C ATOM 194 NH1 ARG A 12 16.807 11.214 3.469 1.00 0.00 N ATOM 195 NH2 ARG A 12 17.633 11.039 1.335 1.00 0.00 N ATOM 0 H ARG A 12 11.291 12.131 4.601 1.00 0.00 H new ATOM 0 HA ARG A 12 13.303 14.007 5.127 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.838 13.003 2.694 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.882 14.401 2.526 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.028 12.030 3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.749 11.864 2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.924 14.342 2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.698 13.582 3.675 1.00 0.00 H new ATOM 0 HE ARG A 12 16.130 12.964 0.862 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.199 11.673 4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.390 10.428 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.661 11.363 0.368 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.215 10.253 1.627 1.00 0.00 H new ATOM 209 N LEU A 13 10.403 15.290 4.208 1.00 0.00 N ATOM 210 CA LEU A 13 9.626 16.525 4.166 1.00 0.00 C ATOM 211 C LEU A 13 9.487 17.127 5.561 1.00 0.00 C ATOM 212 O LEU A 13 9.764 18.308 5.767 1.00 0.00 O ATOM 213 CB LEU A 13 8.242 16.260 3.572 1.00 0.00 C ATOM 214 CG LEU A 13 7.787 17.224 2.476 1.00 0.00 C ATOM 215 CD1 LEU A 13 6.454 16.779 1.894 1.00 0.00 C ATOM 216 CD2 LEU A 13 7.686 18.641 3.021 1.00 0.00 C ATOM 0 H LEU A 13 9.880 14.454 3.948 1.00 0.00 H new ATOM 0 HA LEU A 13 10.155 17.238 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.230 15.248 3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.510 16.288 4.380 1.00 0.00 H new ATOM 0 HG LEU A 13 8.530 17.215 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.146 17.477 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.558 15.782 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.701 16.759 2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.361 19.314 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.964 18.666 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.661 18.959 3.390 1.00 0.00 H new ATOM 228 N GLN A 14 9.058 16.306 6.514 1.00 0.00 N ATOM 229 CA GLN A 14 8.884 16.758 7.889 1.00 0.00 C ATOM 230 C GLN A 14 10.147 17.443 8.401 1.00 0.00 C ATOM 231 O GLN A 14 10.137 18.634 8.710 1.00 0.00 O ATOM 232 CB GLN A 14 8.525 15.579 8.795 1.00 0.00 C ATOM 233 CG GLN A 14 7.181 14.948 8.469 1.00 0.00 C ATOM 234 CD GLN A 14 6.047 15.538 9.283 1.00 0.00 C ATOM 235 OE1 GLN A 14 5.980 15.356 10.499 1.00 0.00 O ATOM 236 NE2 GLN A 14 5.147 16.250 8.615 1.00 0.00 N ATOM 0 H GLN A 14 8.825 15.325 6.359 1.00 0.00 H new ATOM 0 HA GLN A 14 8.068 17.481 7.906 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.303 14.820 8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.516 15.917 9.831 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.969 15.081 7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.234 13.875 8.651 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.242 16.375 7.607 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.361 16.672 9.110 1.00 0.00 H new ATOM 245 N ALA A 15 11.232 16.681 8.490 1.00 0.00 N ATOM 246 CA ALA A 15 12.503 17.214 8.963 1.00 0.00 C ATOM 247 C ALA A 15 12.921 18.437 8.153 1.00 0.00 C ATOM 248 O ALA A 15 13.398 19.427 8.708 1.00 0.00 O ATOM 249 CB ALA A 15 13.582 16.143 8.900 1.00 0.00 C ATOM 0 H ALA A 15 11.256 15.692 8.241 1.00 0.00 H new ATOM 0 HA ALA A 15 12.375 17.524 10.000 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.526 16.556 9.256 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.295 15.300 9.528 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.700 15.805 7.870 1.00 0.00 H new ATOM 255 N TRP A 16 12.741 18.360 6.840 1.00 0.00 N ATOM 256 CA TRP A 16 13.100 19.461 5.954 1.00 0.00 C ATOM 257 C TRP A 16 12.481 20.770 6.432 1.00 0.00 C ATOM 258 O TRP A 16 13.172 21.633 6.971 1.00 0.00 O ATOM 259 CB TRP A 16 12.648 19.161 4.524 1.00 0.00 C ATOM 260 CG TRP A 16 12.767 20.338 3.603 1.00 0.00 C ATOM 261 CD1 TRP A 16 11.780 20.874 2.827 1.00 0.00 C ATOM 262 CD2 TRP A 16 13.941 21.121 3.362 1.00 0.00 C ATOM 263 NE1 TRP A 16 12.270 21.945 2.117 1.00 0.00 N ATOM 264 CE2 TRP A 16 13.593 22.117 2.429 1.00 0.00 C ATOM 265 CE3 TRP A 16 15.252 21.080 3.845 1.00 0.00 C ATOM 266 CZ2 TRP A 16 14.509 23.060 1.970 1.00 0.00 C ATOM 267 CZ3 TRP A 16 16.160 22.016 3.389 1.00 0.00 C ATOM 268 CH2 TRP A 16 15.785 22.996 2.460 1.00 0.00 C ATOM 0 H TRP A 16 12.349 17.547 6.365 1.00 0.00 H new ATOM 0 HA TRP A 16 14.185 19.567 5.970 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.242 18.338 4.128 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.611 18.826 4.541 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.764 20.511 2.778 1.00 0.00 H new ATOM 0 HE1 TRP A 16 11.735 22.518 1.464 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.550 20.330 4.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.223 23.815 1.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 17.176 21.992 3.755 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.518 23.715 2.124 1.00 0.00 H new ATOM 279 N GLU A 17 11.174 20.909 6.231 1.00 0.00 N ATOM 280 CA GLU A 17 10.463 22.114 6.642 1.00 0.00 C ATOM 281 C GLU A 17 10.744 22.439 8.106 1.00 0.00 C ATOM 282 O GLU A 17 10.777 23.606 8.498 1.00 0.00 O ATOM 283 CB GLU A 17 8.958 21.943 6.426 1.00 0.00 C ATOM 284 CG GLU A 17 8.332 20.881 7.315 1.00 0.00 C ATOM 285 CD GLU A 17 6.821 20.835 7.194 1.00 0.00 C ATOM 286 OE1 GLU A 17 6.183 21.900 7.323 1.00 0.00 O ATOM 287 OE2 GLU A 17 6.278 19.733 6.970 1.00 0.00 O ATOM 0 H GLU A 17 10.587 20.203 5.787 1.00 0.00 H new ATOM 0 HA GLU A 17 10.819 22.942 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.463 22.896 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.776 21.685 5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.743 19.906 7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.604 21.075 8.353 1.00 0.00 H new ATOM 294 N ARG A 18 10.946 21.399 8.908 1.00 0.00 N ATOM 295 CA ARG A 18 11.223 21.574 10.329 1.00 0.00 C ATOM 296 C ARG A 18 12.429 22.484 10.541 1.00 0.00 C ATOM 297 O ARG A 18 12.285 23.643 10.928 1.00 0.00 O ATOM 298 CB ARG A 18 11.471 20.217 10.992 1.00 0.00 C ATOM 299 CG ARG A 18 10.297 19.719 11.819 1.00 0.00 C ATOM 300 CD ARG A 18 10.022 20.633 13.003 1.00 0.00 C ATOM 301 NE ARG A 18 9.359 19.927 14.096 1.00 0.00 N ATOM 302 CZ ARG A 18 8.738 20.541 15.097 1.00 0.00 C ATOM 303 NH1 ARG A 18 8.694 21.865 15.142 1.00 0.00 N ATOM 304 NH2 ARG A 18 8.158 19.829 16.055 1.00 0.00 N ATOM 0 H ARG A 18 10.923 20.427 8.599 1.00 0.00 H new ATOM 0 HA ARG A 18 10.352 22.042 10.788 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.699 19.482 10.220 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.350 20.290 11.632 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.408 19.658 11.191 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.504 18.711 12.177 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.961 21.055 13.361 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.400 21.468 12.680 1.00 0.00 H new ATOM 0 HE ARG A 18 9.374 18.907 14.091 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.138 22.415 14.407 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.216 22.334 15.912 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.189 18.810 16.023 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.681 20.301 16.823 1.00 0.00 H new ATOM 318 N ALA A 19 13.619 21.950 10.284 1.00 0.00 N ATOM 319 CA ALA A 19 14.850 22.714 10.445 1.00 0.00 C ATOM 320 C ALA A 19 14.892 23.895 9.482 1.00 0.00 C ATOM 321 O ALA A 19 15.476 24.936 9.786 1.00 0.00 O ATOM 322 CB ALA A 19 16.060 21.815 10.234 1.00 0.00 C ATOM 0 H ALA A 19 13.756 20.991 9.964 1.00 0.00 H new ATOM 0 HA ALA A 19 14.875 23.106 11.462 1.00 0.00 H new ATOM 0 HB1 ALA A 19 16.973 22.398 10.357 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.045 21.007 10.965 1.00 0.00 H new ATOM 0 HB3 ALA A 19 16.031 21.395 9.228 1.00 0.00 H new ATOM 328 N PHE A 20 14.271 23.728 8.319 1.00 0.00 N ATOM 329 CA PHE A 20 14.239 24.781 7.311 1.00 0.00 C ATOM 330 C PHE A 20 13.675 26.074 7.892 1.00 0.00 C ATOM 331 O PHE A 20 14.397 27.056 8.067 1.00 0.00 O ATOM 332 CB PHE A 20 13.401 24.340 6.109 1.00 0.00 C ATOM 333 CG PHE A 20 13.109 25.452 5.142 1.00 0.00 C ATOM 334 CD1 PHE A 20 14.036 25.810 4.178 1.00 0.00 C ATOM 335 CD2 PHE A 20 11.907 26.138 5.198 1.00 0.00 C ATOM 336 CE1 PHE A 20 13.771 26.833 3.286 1.00 0.00 C ATOM 337 CE2 PHE A 20 11.635 27.161 4.309 1.00 0.00 C ATOM 338 CZ PHE A 20 12.569 27.509 3.352 1.00 0.00 C ATOM 0 H PHE A 20 13.783 22.873 8.051 1.00 0.00 H new ATOM 0 HA PHE A 20 15.262 24.967 6.984 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.925 23.541 5.584 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.459 23.923 6.466 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.978 25.284 4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 20 11.174 25.871 5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.503 27.103 2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.694 27.688 4.362 1.00 0.00 H new ATOM 0 HZ PHE A 20 12.359 28.308 2.657 1.00 0.00 H new ATOM 348 N ARG A 21 12.379 26.066 8.189 1.00 0.00 N ATOM 349 CA ARG A 21 11.716 27.238 8.749 1.00 0.00 C ATOM 350 C ARG A 21 12.284 27.578 10.124 1.00 0.00 C ATOM 351 O ARG A 21 12.093 28.685 10.629 1.00 0.00 O ATOM 352 CB ARG A 21 10.209 26.997 8.852 1.00 0.00 C ATOM 353 CG ARG A 21 9.471 28.079 9.625 1.00 0.00 C ATOM 354 CD ARG A 21 9.578 29.429 8.932 1.00 0.00 C ATOM 355 NE ARG A 21 8.345 29.785 8.235 1.00 0.00 N ATOM 356 CZ ARG A 21 8.038 31.025 7.871 1.00 0.00 C ATOM 357 NH1 ARG A 21 8.871 32.022 8.136 1.00 0.00 N ATOM 358 NH2 ARG A 21 6.897 31.269 7.240 1.00 0.00 N ATOM 0 H ARG A 21 11.768 25.261 8.051 1.00 0.00 H new ATOM 0 HA ARG A 21 11.897 28.081 8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.791 26.930 7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.035 26.035 9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.421 27.803 9.727 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.881 28.152 10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.813 30.197 9.669 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.403 29.407 8.220 1.00 0.00 H new ATOM 0 HE ARG A 21 7.683 29.040 8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.750 31.838 8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.633 32.973 7.856 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.254 30.504 7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.662 32.222 6.961 1.00 0.00 H new ATOM 372 N ARG A 22 12.981 26.620 10.724 1.00 0.00 N ATOM 373 CA ARG A 22 13.574 26.817 12.041 1.00 0.00 C ATOM 374 C ARG A 22 14.827 27.683 11.949 1.00 0.00 C ATOM 375 O ARG A 22 15.049 28.561 12.783 1.00 0.00 O ATOM 376 CB ARG A 22 13.919 25.468 12.676 1.00 0.00 C ATOM 377 CG ARG A 22 14.493 25.584 14.079 1.00 0.00 C ATOM 378 CD ARG A 22 14.139 24.373 14.927 1.00 0.00 C ATOM 379 NE ARG A 22 15.050 23.256 14.693 1.00 0.00 N ATOM 380 CZ ARG A 22 15.184 22.230 15.526 1.00 0.00 C ATOM 381 NH1 ARG A 22 14.469 22.180 16.642 1.00 0.00 N ATOM 382 NH2 ARG A 22 16.034 21.251 15.244 1.00 0.00 N ATOM 0 H ARG A 22 13.149 25.699 10.319 1.00 0.00 H new ATOM 0 HA ARG A 22 12.844 27.330 12.667 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.021 24.852 12.710 1.00 0.00 H new ATOM 0 HB3 ARG A 22 14.637 24.950 12.040 1.00 0.00 H new ATOM 0 HG2 ARG A 22 15.577 25.686 14.023 1.00 0.00 H new ATOM 0 HG3 ARG A 22 14.112 26.487 14.556 1.00 0.00 H new ATOM 0 HD2 ARG A 22 14.166 24.648 15.981 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.118 24.061 14.705 1.00 0.00 H new ATOM 0 HE ARG A 22 15.614 23.264 13.843 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.814 22.931 16.862 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.574 21.391 17.280 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.586 21.286 14.387 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.136 20.464 15.885 1.00 0.00 H new ATOM 396 N GLN A 23 15.642 27.429 10.930 1.00 0.00 N ATOM 397 CA GLN A 23 16.873 28.185 10.730 1.00 0.00 C ATOM 398 C GLN A 23 16.660 29.317 9.731 1.00 0.00 C ATOM 399 O GLN A 23 16.911 30.483 10.037 1.00 0.00 O ATOM 400 CB GLN A 23 17.990 27.261 10.242 1.00 0.00 C ATOM 401 CG GLN A 23 18.049 25.934 10.980 1.00 0.00 C ATOM 402 CD GLN A 23 19.446 25.593 11.458 1.00 0.00 C ATOM 403 OE1 GLN A 23 19.993 26.257 12.339 1.00 0.00 O ATOM 404 NE2 GLN A 23 20.033 24.552 10.878 1.00 0.00 N ATOM 0 H GLN A 23 15.472 26.706 10.231 1.00 0.00 H new ATOM 0 HA GLN A 23 17.163 28.619 11.687 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.852 27.069 9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.947 27.772 10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.375 25.968 11.836 1.00 0.00 H new ATOM 0 HG3 GLN A 23 17.690 25.141 10.323 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.543 24.030 10.152 1.00 0.00 H new ATOM 0 HE22 GLN A 23 20.974 24.275 11.159 1.00 0.00 H new ATOM 413 N ARG A 24 16.197 28.966 8.536 1.00 0.00 N ATOM 414 CA ARG A 24 15.952 29.953 7.491 1.00 0.00 C ATOM 415 C ARG A 24 14.849 30.922 7.907 1.00 0.00 C ATOM 416 O ARG A 24 14.972 32.133 7.728 1.00 0.00 O ATOM 417 CB ARG A 24 15.569 29.258 6.183 1.00 0.00 C ATOM 418 CG ARG A 24 16.723 28.520 5.525 1.00 0.00 C ATOM 419 CD ARG A 24 17.878 29.459 5.212 1.00 0.00 C ATOM 420 NE ARG A 24 19.077 29.124 5.976 1.00 0.00 N ATOM 421 CZ ARG A 24 19.817 28.045 5.748 1.00 0.00 C ATOM 422 NH1 ARG A 24 19.482 27.200 4.782 1.00 0.00 N ATOM 423 NH2 ARG A 24 20.894 27.809 6.486 1.00 0.00 N ATOM 0 H ARG A 24 15.984 28.005 8.267 1.00 0.00 H new ATOM 0 HA ARG A 24 16.871 30.519 7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.762 28.552 6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.180 30.001 5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.069 27.723 6.183 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.377 28.047 4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.103 29.415 4.146 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.582 30.484 5.433 1.00 0.00 H new ATOM 0 HE ARG A 24 19.362 29.754 6.726 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.655 27.378 4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.052 26.372 4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 24 21.155 28.457 7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.461 26.980 6.310 1.00 0.00 H new ATOM 437 N GLY A 25 13.769 30.379 8.462 1.00 0.00 N ATOM 438 CA GLY A 25 12.660 31.209 8.894 1.00 0.00 C ATOM 439 C GLY A 25 12.102 32.061 7.771 1.00 0.00 C ATOM 440 O GLY A 25 11.670 33.191 7.995 1.00 0.00 O ATOM 0 H GLY A 25 13.643 29.379 8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.868 30.574 9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.989 31.856 9.707 1.00 0.00 H new ATOM 444 N ARG A 26 12.112 31.518 6.558 1.00 0.00 N ATOM 445 CA ARG A 26 11.605 32.236 5.395 1.00 0.00 C ATOM 446 C ARG A 26 11.802 31.418 4.122 1.00 0.00 C ATOM 447 O ARG A 26 12.246 30.271 4.172 1.00 0.00 O ATOM 448 CB ARG A 26 12.307 33.588 5.258 1.00 0.00 C ATOM 449 CG ARG A 26 13.813 33.515 5.454 1.00 0.00 C ATOM 450 CD ARG A 26 14.546 34.432 4.487 1.00 0.00 C ATOM 451 NE ARG A 26 15.908 34.718 4.930 1.00 0.00 N ATOM 452 CZ ARG A 26 16.856 35.192 4.130 1.00 0.00 C ATOM 453 NH1 ARG A 26 16.592 35.433 2.853 1.00 0.00 N ATOM 454 NH2 ARG A 26 18.072 35.428 4.607 1.00 0.00 N ATOM 0 H ARG A 26 12.466 30.583 6.355 1.00 0.00 H new ATOM 0 HA ARG A 26 10.537 32.401 5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.097 33.998 4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.887 34.281 5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.061 33.792 6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.150 32.489 5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.575 33.969 3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.994 35.366 4.385 1.00 0.00 H new ATOM 0 HE ARG A 26 16.144 34.544 5.907 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.659 35.254 2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.322 35.797 2.241 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.279 35.245 5.589 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.799 35.792 3.992 1.00 0.00 H new ATOM 468 N ARG A 27 11.467 32.016 2.983 1.00 0.00 N ATOM 469 CA ARG A 27 11.605 31.342 1.697 1.00 0.00 C ATOM 470 C ARG A 27 13.001 30.744 1.544 1.00 0.00 C ATOM 471 O ARG A 27 13.977 31.230 2.114 1.00 0.00 O ATOM 472 CB ARG A 27 11.330 32.319 0.553 1.00 0.00 C ATOM 473 CG ARG A 27 10.088 31.978 -0.254 1.00 0.00 C ATOM 474 CD ARG A 27 10.398 31.880 -1.739 1.00 0.00 C ATOM 475 NE ARG A 27 10.220 33.159 -2.421 1.00 0.00 N ATOM 476 CZ ARG A 27 10.670 33.407 -3.646 1.00 0.00 C ATOM 477 NH1 ARG A 27 11.320 32.469 -4.320 1.00 0.00 N ATOM 478 NH2 ARG A 27 10.468 34.596 -4.199 1.00 0.00 N ATOM 0 H ARG A 27 11.098 32.965 2.924 1.00 0.00 H new ATOM 0 HA ARG A 27 10.875 30.533 1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.223 33.323 0.962 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.192 32.337 -0.113 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.674 31.032 0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.326 32.740 -0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.424 31.537 -1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.750 31.132 -2.196 1.00 0.00 H new ATOM 0 HE ARG A 27 9.723 33.902 -1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.476 31.553 -3.898 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.664 32.663 -5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.967 35.320 -3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.814 34.786 -5.140 1.00 0.00 H new ATOM 492 N PRO A 28 13.098 29.662 0.757 1.00 0.00 N ATOM 493 CA PRO A 28 14.368 28.974 0.511 1.00 0.00 C ATOM 494 C PRO A 28 15.321 29.803 -0.344 1.00 0.00 C ATOM 495 O PRO A 28 14.971 30.890 -0.804 1.00 0.00 O ATOM 496 CB PRO A 28 13.946 27.705 -0.235 1.00 0.00 C ATOM 497 CG PRO A 28 12.653 28.061 -0.884 1.00 0.00 C ATOM 498 CD PRO A 28 11.975 29.028 0.046 1.00 0.00 C ATOM 0 HA PRO A 28 14.912 28.780 1.436 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.693 27.413 -0.973 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.828 26.864 0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 28 12.819 28.512 -1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 28 12.038 27.175 -1.041 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.380 29.760 -0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 28 11.300 28.518 0.734 1.00 0.00 H new ATOM 506 N SER A 29 16.525 29.282 -0.554 1.00 0.00 N ATOM 507 CA SER A 29 17.530 29.976 -1.352 1.00 0.00 C ATOM 508 C SER A 29 18.251 29.006 -2.282 1.00 0.00 C ATOM 509 O SER A 29 18.301 27.804 -2.023 1.00 0.00 O ATOM 510 CB SER A 29 18.541 30.675 -0.442 1.00 0.00 C ATOM 511 OG SER A 29 18.208 32.040 -0.262 1.00 0.00 O ATOM 0 H SER A 29 16.829 28.382 -0.183 1.00 0.00 H new ATOM 0 HA SER A 29 17.021 30.724 -1.960 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.571 30.174 0.526 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.539 30.595 -0.873 1.00 0.00 H new ATOM 0 HG SER A 29 18.869 32.463 0.325 1.00 0.00 H new ATOM 517 N GLN A 30 18.807 29.537 -3.366 1.00 0.00 N ATOM 518 CA GLN A 30 19.525 28.718 -4.336 1.00 0.00 C ATOM 519 C GLN A 30 20.659 27.949 -3.665 1.00 0.00 C ATOM 520 O GLN A 30 21.126 26.935 -4.184 1.00 0.00 O ATOM 521 CB GLN A 30 20.081 29.592 -5.461 1.00 0.00 C ATOM 522 CG GLN A 30 19.314 29.463 -6.767 1.00 0.00 C ATOM 523 CD GLN A 30 19.776 30.455 -7.816 1.00 0.00 C ATOM 524 OE1 GLN A 30 20.971 30.719 -7.953 1.00 0.00 O ATOM 525 NE2 GLN A 30 18.830 31.011 -8.563 1.00 0.00 N ATOM 0 H GLN A 30 18.774 30.530 -3.595 1.00 0.00 H new ATOM 0 HA GLN A 30 18.823 27.999 -4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 30 20.066 30.634 -5.142 1.00 0.00 H new ATOM 0 HB3 GLN A 30 21.124 29.327 -5.634 1.00 0.00 H new ATOM 0 HG2 GLN A 30 19.430 28.451 -7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.251 29.611 -6.576 1.00 0.00 H new ATOM 0 HE21 GLN A 30 17.852 30.763 -8.415 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.081 31.686 -9.285 1.00 0.00 H new ATOM 534 N ASP A 31 21.097 28.439 -2.511 1.00 0.00 N ATOM 535 CA ASP A 31 22.176 27.797 -1.769 1.00 0.00 C ATOM 536 C ASP A 31 21.705 26.486 -1.149 1.00 0.00 C ATOM 537 O ASP A 31 22.373 25.458 -1.264 1.00 0.00 O ATOM 538 CB ASP A 31 22.699 28.732 -0.677 1.00 0.00 C ATOM 539 CG ASP A 31 23.501 29.889 -1.241 1.00 0.00 C ATOM 540 OD1 ASP A 31 24.630 29.651 -1.719 1.00 0.00 O ATOM 541 OD2 ASP A 31 22.999 31.032 -1.205 1.00 0.00 O ATOM 0 H ASP A 31 20.722 29.278 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 31 22.983 27.578 -2.468 1.00 0.00 H new ATOM 0 HB2 ASP A 31 21.858 29.122 -0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 31 23.322 28.165 0.015 1.00 0.00 H new ATOM 546 N ASP A 32 20.551 26.529 -0.492 1.00 0.00 N ATOM 547 CA ASP A 32 19.990 25.343 0.146 1.00 0.00 C ATOM 548 C ASP A 32 19.275 24.464 -0.875 1.00 0.00 C ATOM 549 O ASP A 32 19.238 23.241 -0.739 1.00 0.00 O ATOM 550 CB ASP A 32 19.020 25.748 1.258 1.00 0.00 C ATOM 551 CG ASP A 32 19.356 25.095 2.584 1.00 0.00 C ATOM 552 OD1 ASP A 32 20.526 25.183 3.009 1.00 0.00 O ATOM 553 OD2 ASP A 32 18.448 24.494 3.197 1.00 0.00 O ATOM 0 H ASP A 32 19.986 27.372 -0.387 1.00 0.00 H new ATOM 0 HA ASP A 32 20.810 24.771 0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.038 26.832 1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.005 25.475 0.968 1.00 0.00 H new ATOM 558 N VAL A 33 18.705 25.095 -1.897 1.00 0.00 N ATOM 559 CA VAL A 33 17.991 24.370 -2.941 1.00 0.00 C ATOM 560 C VAL A 33 18.955 23.582 -3.821 1.00 0.00 C ATOM 561 O VAL A 33 18.724 22.409 -4.115 1.00 0.00 O ATOM 562 CB VAL A 33 17.170 25.326 -3.826 1.00 0.00 C ATOM 563 CG1 VAL A 33 16.491 24.560 -4.952 1.00 0.00 C ATOM 564 CG2 VAL A 33 16.147 26.079 -2.990 1.00 0.00 C ATOM 0 H VAL A 33 18.724 26.107 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 33 17.314 23.678 -2.440 1.00 0.00 H new ATOM 0 HB VAL A 33 17.848 26.054 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.915 25.252 -5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.247 24.071 -5.566 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.824 23.808 -4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.576 26.750 -3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.471 25.368 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.660 26.659 -2.223 1.00 0.00 H new ATOM 574 N GLU A 34 20.036 24.234 -4.237 1.00 0.00 N ATOM 575 CA GLU A 34 21.035 23.593 -5.084 1.00 0.00 C ATOM 576 C GLU A 34 21.903 22.635 -4.272 1.00 0.00 C ATOM 577 O GLU A 34 22.673 21.855 -4.830 1.00 0.00 O ATOM 578 CB GLU A 34 21.914 24.647 -5.760 1.00 0.00 C ATOM 579 CG GLU A 34 22.576 24.158 -7.038 1.00 0.00 C ATOM 580 CD GLU A 34 23.718 25.051 -7.481 1.00 0.00 C ATOM 581 OE1 GLU A 34 23.519 26.283 -7.542 1.00 0.00 O ATOM 582 OE2 GLU A 34 24.811 24.520 -7.768 1.00 0.00 O ATOM 0 H GLU A 34 20.242 25.205 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 34 20.512 23.021 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.307 25.523 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.686 24.967 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 34 22.950 23.146 -6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 34 21.831 24.106 -7.832 1.00 0.00 H new ATOM 589 N ALA A 35 21.772 22.703 -2.951 1.00 0.00 N ATOM 590 CA ALA A 35 22.542 21.842 -2.062 1.00 0.00 C ATOM 591 C ALA A 35 22.007 20.414 -2.081 1.00 0.00 C ATOM 592 O ALA A 35 22.769 19.455 -1.969 1.00 0.00 O ATOM 593 CB ALA A 35 22.525 22.396 -0.645 1.00 0.00 C ATOM 0 H ALA A 35 21.140 23.345 -2.473 1.00 0.00 H new ATOM 0 HA ALA A 35 23.572 21.821 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 35 23.104 21.743 0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 35 22.962 23.395 -0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.497 22.448 -0.287 1.00 0.00 H new ATOM 599 N ALA A 36 20.692 20.282 -2.224 1.00 0.00 N ATOM 600 CA ALA A 36 20.056 18.971 -2.258 1.00 0.00 C ATOM 601 C ALA A 36 20.074 18.390 -3.668 1.00 0.00 C ATOM 602 O ALA A 36 20.252 19.101 -4.657 1.00 0.00 O ATOM 603 CB ALA A 36 18.628 19.064 -1.741 1.00 0.00 C ATOM 0 H ALA A 36 20.047 21.067 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 36 20.622 18.302 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.165 18.078 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.636 19.429 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.059 19.752 -2.366 1.00 0.00 H new ATOM 609 N PRO A 37 19.885 17.065 -3.765 1.00 0.00 N ATOM 610 CA PRO A 37 19.875 16.359 -5.049 1.00 0.00 C ATOM 611 C PRO A 37 18.645 16.694 -5.885 1.00 0.00 C ATOM 612 O PRO A 37 17.841 17.545 -5.508 1.00 0.00 O ATOM 613 CB PRO A 37 19.859 14.883 -4.642 1.00 0.00 C ATOM 614 CG PRO A 37 19.244 14.871 -3.286 1.00 0.00 C ATOM 615 CD PRO A 37 19.666 16.155 -2.628 1.00 0.00 C ATOM 0 HA PRO A 37 20.726 16.634 -5.672 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.279 14.285 -5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 37 20.866 14.466 -4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.158 14.804 -3.351 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.583 14.009 -2.712 1.00 0.00 H new ATOM 0 HD2 PRO A 37 18.897 16.532 -1.953 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.573 16.025 -2.037 1.00 0.00 H new ATOM 623 N GLU A 38 18.506 16.019 -7.022 1.00 0.00 N ATOM 624 CA GLU A 38 17.373 16.246 -7.911 1.00 0.00 C ATOM 625 C GLU A 38 16.064 15.843 -7.239 1.00 0.00 C ATOM 626 O GLU A 38 15.180 16.673 -7.031 1.00 0.00 O ATOM 627 CB GLU A 38 17.552 15.463 -9.214 1.00 0.00 C ATOM 628 CG GLU A 38 17.564 16.340 -10.454 1.00 0.00 C ATOM 629 CD GLU A 38 18.841 16.197 -11.258 1.00 0.00 C ATOM 630 OE1 GLU A 38 19.933 16.335 -10.668 1.00 0.00 O ATOM 631 OE2 GLU A 38 18.748 15.948 -12.479 1.00 0.00 O ATOM 0 H GLU A 38 19.164 15.311 -7.349 1.00 0.00 H new ATOM 0 HA GLU A 38 17.332 17.311 -8.139 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.486 14.903 -9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.747 14.733 -9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.712 16.084 -11.084 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.440 17.382 -10.159 1.00 0.00 H new ATOM 638 N GLU A 39 15.948 14.561 -6.903 1.00 0.00 N ATOM 639 CA GLU A 39 14.747 14.047 -6.256 1.00 0.00 C ATOM 640 C GLU A 39 14.344 14.929 -5.078 1.00 0.00 C ATOM 641 O GLU A 39 13.208 15.400 -4.999 1.00 0.00 O ATOM 642 CB GLU A 39 14.973 12.611 -5.778 1.00 0.00 C ATOM 643 CG GLU A 39 14.478 11.560 -6.757 1.00 0.00 C ATOM 644 CD GLU A 39 15.343 10.314 -6.760 1.00 0.00 C ATOM 645 OE1 GLU A 39 16.520 10.409 -7.165 1.00 0.00 O ATOM 646 OE2 GLU A 39 14.841 9.243 -6.358 1.00 0.00 O ATOM 0 H GLU A 39 16.671 13.861 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 39 13.939 14.056 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.038 12.459 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.469 12.471 -4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.454 11.286 -6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.456 11.985 -7.760 1.00 0.00 H new ATOM 653 N THR A 40 15.282 15.149 -4.162 1.00 0.00 N ATOM 654 CA THR A 40 15.026 15.972 -2.987 1.00 0.00 C ATOM 655 C THR A 40 14.552 17.366 -3.384 1.00 0.00 C ATOM 656 O THR A 40 13.570 17.875 -2.845 1.00 0.00 O ATOM 657 CB THR A 40 16.283 16.101 -2.106 1.00 0.00 C ATOM 658 OG1 THR A 40 16.689 14.810 -1.639 1.00 0.00 O ATOM 659 CG2 THR A 40 16.021 17.016 -0.920 1.00 0.00 C ATOM 0 H THR A 40 16.227 14.768 -4.212 1.00 0.00 H new ATOM 0 HA THR A 40 14.242 15.473 -2.417 1.00 0.00 H new ATOM 0 HB THR A 40 17.080 16.535 -2.710 1.00 0.00 H new ATOM 0 HG1 THR A 40 17.490 14.901 -1.081 1.00 0.00 H new ATOM 0 HG21 THR A 40 16.923 17.092 -0.313 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.741 18.006 -1.279 1.00 0.00 H new ATOM 0 HG23 THR A 40 15.211 16.607 -0.317 1.00 0.00 H new ATOM 667 N ARG A 41 15.257 17.977 -4.331 1.00 0.00 N ATOM 668 CA ARG A 41 14.908 19.313 -4.801 1.00 0.00 C ATOM 669 C ARG A 41 13.447 19.371 -5.238 1.00 0.00 C ATOM 670 O ARG A 41 12.744 20.342 -4.961 1.00 0.00 O ATOM 671 CB ARG A 41 15.816 19.721 -5.962 1.00 0.00 C ATOM 672 CG ARG A 41 17.027 20.532 -5.532 1.00 0.00 C ATOM 673 CD ARG A 41 18.084 20.577 -6.624 1.00 0.00 C ATOM 674 NE ARG A 41 18.222 21.913 -7.198 1.00 0.00 N ATOM 675 CZ ARG A 41 17.418 22.396 -8.138 1.00 0.00 C ATOM 676 NH1 ARG A 41 16.423 21.655 -8.608 1.00 0.00 N ATOM 677 NH2 ARG A 41 17.607 23.621 -8.610 1.00 0.00 N ATOM 0 H ARG A 41 16.073 17.569 -4.788 1.00 0.00 H new ATOM 0 HA ARG A 41 15.050 20.010 -3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.155 18.824 -6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.236 20.302 -6.679 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.717 21.547 -5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.454 20.098 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.042 20.258 -6.214 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.822 19.870 -7.411 1.00 0.00 H new ATOM 0 HE ARG A 41 18.978 22.508 -6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.275 20.713 -8.247 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.806 22.028 -9.330 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.371 24.194 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.988 23.990 -9.332 1.00 0.00 H new ATOM 691 N ALA A 42 12.998 18.325 -5.924 1.00 0.00 N ATOM 692 CA ALA A 42 11.622 18.256 -6.398 1.00 0.00 C ATOM 693 C ALA A 42 10.641 18.198 -5.231 1.00 0.00 C ATOM 694 O ALA A 42 9.680 18.966 -5.176 1.00 0.00 O ATOM 695 CB ALA A 42 11.436 17.051 -7.307 1.00 0.00 C ATOM 0 H ALA A 42 13.568 17.514 -6.164 1.00 0.00 H new ATOM 0 HA ALA A 42 11.415 19.162 -6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.403 17.012 -7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.103 17.136 -8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.668 16.140 -6.755 1.00 0.00 H new ATOM 701 N LEU A 43 10.889 17.282 -4.302 1.00 0.00 N ATOM 702 CA LEU A 43 10.027 17.122 -3.136 1.00 0.00 C ATOM 703 C LEU A 43 9.990 18.402 -2.307 1.00 0.00 C ATOM 704 O LEU A 43 8.922 18.859 -1.900 1.00 0.00 O ATOM 705 CB LEU A 43 10.514 15.957 -2.273 1.00 0.00 C ATOM 706 CG LEU A 43 10.859 14.668 -3.019 1.00 0.00 C ATOM 707 CD1 LEU A 43 12.107 14.028 -2.431 1.00 0.00 C ATOM 708 CD2 LEU A 43 9.689 13.696 -2.976 1.00 0.00 C ATOM 0 H LEU A 43 11.680 16.639 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 43 9.018 16.909 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.397 16.283 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.744 15.731 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 43 11.060 14.918 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.337 13.112 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.945 14.720 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.935 13.793 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.953 12.785 -3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.456 13.453 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.818 14.154 -3.446 1.00 0.00 H new ATOM 720 N TYR A 44 11.162 18.977 -2.063 1.00 0.00 N ATOM 721 CA TYR A 44 11.264 20.205 -1.283 1.00 0.00 C ATOM 722 C TYR A 44 10.522 21.349 -1.967 1.00 0.00 C ATOM 723 O TYR A 44 9.609 21.943 -1.393 1.00 0.00 O ATOM 724 CB TYR A 44 12.732 20.584 -1.079 1.00 0.00 C ATOM 725 CG TYR A 44 13.446 19.719 -0.064 1.00 0.00 C ATOM 726 CD1 TYR A 44 12.822 18.610 0.493 1.00 0.00 C ATOM 727 CD2 TYR A 44 14.743 20.011 0.337 1.00 0.00 C ATOM 728 CE1 TYR A 44 13.469 17.817 1.421 1.00 0.00 C ATOM 729 CE2 TYR A 44 15.399 19.223 1.263 1.00 0.00 C ATOM 730 CZ TYR A 44 14.758 18.128 1.802 1.00 0.00 C ATOM 731 OH TYR A 44 15.408 17.341 2.725 1.00 0.00 O ATOM 0 H TYR A 44 12.055 18.612 -2.394 1.00 0.00 H new ATOM 0 HA TYR A 44 10.803 20.027 -0.311 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.253 20.514 -2.034 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.789 21.625 -0.761 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.814 18.363 0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 44 15.248 20.869 -0.082 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.969 16.959 1.846 1.00 0.00 H new ATOM 0 HE2 TYR A 44 16.408 19.463 1.563 1.00 0.00 H new ATOM 0 HH TYR A 44 16.308 17.696 2.882 1.00 0.00 H new ATOM 741 N ARG A 45 10.920 21.651 -3.199 1.00 0.00 N ATOM 742 CA ARG A 45 10.295 22.723 -3.963 1.00 0.00 C ATOM 743 C ARG A 45 8.804 22.458 -4.152 1.00 0.00 C ATOM 744 O ARG A 45 8.018 23.385 -4.340 1.00 0.00 O ATOM 745 CB ARG A 45 10.974 22.871 -5.325 1.00 0.00 C ATOM 746 CG ARG A 45 11.048 24.307 -5.816 1.00 0.00 C ATOM 747 CD ARG A 45 11.684 24.393 -7.195 1.00 0.00 C ATOM 748 NE ARG A 45 10.981 25.332 -8.065 1.00 0.00 N ATOM 749 CZ ARG A 45 11.364 25.611 -9.306 1.00 0.00 C ATOM 750 NH1 ARG A 45 12.437 25.026 -9.820 1.00 0.00 N ATOM 751 NH2 ARG A 45 10.672 26.477 -10.036 1.00 0.00 N ATOM 0 H ARG A 45 11.673 21.168 -3.689 1.00 0.00 H new ATOM 0 HA ARG A 45 10.414 23.651 -3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.983 22.464 -5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.433 22.273 -6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.045 24.733 -5.849 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.625 24.905 -5.110 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.725 24.701 -7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.687 23.405 -7.655 1.00 0.00 H new ATOM 0 HE ARG A 45 10.151 25.799 -7.700 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.971 24.360 -9.262 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.728 25.242 -10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.846 26.929 -9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.967 26.691 -10.989 1.00 0.00 H new ATOM 765 N GLU A 46 8.423 21.185 -4.100 1.00 0.00 N ATOM 766 CA GLU A 46 7.027 20.798 -4.267 1.00 0.00 C ATOM 767 C GLU A 46 6.191 21.253 -3.075 1.00 0.00 C ATOM 768 O GLU A 46 5.253 22.037 -3.224 1.00 0.00 O ATOM 769 CB GLU A 46 6.912 19.282 -4.437 1.00 0.00 C ATOM 770 CG GLU A 46 5.478 18.781 -4.467 1.00 0.00 C ATOM 771 CD GLU A 46 4.651 19.441 -5.553 1.00 0.00 C ATOM 772 OE1 GLU A 46 5.201 19.690 -6.647 1.00 0.00 O ATOM 773 OE2 GLU A 46 3.456 19.709 -5.310 1.00 0.00 O ATOM 0 H GLU A 46 9.061 20.405 -3.944 1.00 0.00 H new ATOM 0 HA GLU A 46 6.645 21.286 -5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.410 18.990 -5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.442 18.792 -3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.477 17.702 -4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.013 18.965 -3.499 1.00 0.00 H new ATOM 780 N TYR A 47 6.536 20.755 -1.893 1.00 0.00 N ATOM 781 CA TYR A 47 5.816 21.107 -0.675 1.00 0.00 C ATOM 782 C TYR A 47 6.049 22.569 -0.307 1.00 0.00 C ATOM 783 O TYR A 47 5.210 23.200 0.336 1.00 0.00 O ATOM 784 CB TYR A 47 6.252 20.203 0.479 1.00 0.00 C ATOM 785 CG TYR A 47 5.239 20.120 1.599 1.00 0.00 C ATOM 786 CD1 TYR A 47 4.226 19.168 1.577 1.00 0.00 C ATOM 787 CD2 TYR A 47 5.294 20.993 2.678 1.00 0.00 C ATOM 788 CE1 TYR A 47 3.298 19.089 2.597 1.00 0.00 C ATOM 789 CE2 TYR A 47 4.371 20.920 3.704 1.00 0.00 C ATOM 790 CZ TYR A 47 3.375 19.967 3.659 1.00 0.00 C ATOM 791 OH TYR A 47 2.453 19.892 4.677 1.00 0.00 O ATOM 0 H TYR A 47 7.310 20.106 -1.752 1.00 0.00 H new ATOM 0 HA TYR A 47 4.751 20.963 -0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.438 19.200 0.094 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.196 20.571 0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.164 18.478 0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.071 21.742 2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.517 18.344 2.564 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.429 21.605 4.537 1.00 0.00 H new ATOM 0 HH TYR A 47 2.649 20.580 5.347 1.00 0.00 H new ATOM 801 N ARG A 48 7.195 23.100 -0.721 1.00 0.00 N ATOM 802 CA ARG A 48 7.540 24.488 -0.435 1.00 0.00 C ATOM 803 C ARG A 48 6.722 25.441 -1.301 1.00 0.00 C ATOM 804 O ARG A 48 6.186 26.437 -0.813 1.00 0.00 O ATOM 805 CB ARG A 48 9.033 24.722 -0.670 1.00 0.00 C ATOM 806 CG ARG A 48 9.546 26.025 -0.077 1.00 0.00 C ATOM 807 CD ARG A 48 10.626 25.777 0.964 1.00 0.00 C ATOM 808 NE ARG A 48 10.204 24.805 1.969 1.00 0.00 N ATOM 809 CZ ARG A 48 9.391 25.097 2.978 1.00 0.00 C ATOM 810 NH1 ARG A 48 8.914 26.326 3.115 1.00 0.00 N ATOM 811 NH2 ARG A 48 9.053 24.157 3.852 1.00 0.00 N ATOM 0 H ARG A 48 7.900 22.591 -1.255 1.00 0.00 H new ATOM 0 HA ARG A 48 7.308 24.686 0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.594 23.892 -0.241 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.228 24.719 -1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.944 26.656 -0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.719 26.569 0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.530 25.419 0.471 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.881 26.717 1.453 1.00 0.00 H new ATOM 0 HE ARG A 48 10.553 23.850 1.892 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.171 27.050 2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.290 26.547 3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.418 23.210 3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.429 24.382 4.627 1.00 0.00 H new ATOM 825 N THR A 49 6.630 25.130 -2.591 1.00 0.00 N ATOM 826 CA THR A 49 5.880 25.959 -3.525 1.00 0.00 C ATOM 827 C THR A 49 4.381 25.861 -3.266 1.00 0.00 C ATOM 828 O THR A 49 3.652 26.846 -3.393 1.00 0.00 O ATOM 829 CB THR A 49 6.164 25.559 -4.985 1.00 0.00 C ATOM 830 OG1 THR A 49 7.549 25.760 -5.288 1.00 0.00 O ATOM 831 CG2 THR A 49 5.307 26.369 -5.945 1.00 0.00 C ATOM 0 H THR A 49 7.066 24.310 -3.012 1.00 0.00 H new ATOM 0 HA THR A 49 6.207 26.987 -3.367 1.00 0.00 H new ATOM 0 HB THR A 49 5.916 24.504 -5.104 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.083 25.060 -4.857 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.525 26.069 -6.970 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.253 26.190 -5.731 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.527 27.430 -5.823 1.00 0.00 H new ATOM 839 N LEU A 50 3.925 24.668 -2.901 1.00 0.00 N ATOM 840 CA LEU A 50 2.512 24.441 -2.622 1.00 0.00 C ATOM 841 C LEU A 50 2.090 25.147 -1.338 1.00 0.00 C ATOM 842 O LEU A 50 1.041 25.790 -1.285 1.00 0.00 O ATOM 843 CB LEU A 50 2.228 22.942 -2.511 1.00 0.00 C ATOM 844 CG LEU A 50 1.669 22.270 -3.766 1.00 0.00 C ATOM 845 CD1 LEU A 50 0.249 22.742 -4.037 1.00 0.00 C ATOM 846 CD2 LEU A 50 2.564 22.549 -4.964 1.00 0.00 C ATOM 0 H LEU A 50 4.514 23.842 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 50 1.933 24.854 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.153 22.437 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.523 22.786 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 50 1.646 21.193 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.132 22.253 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.387 22.490 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.246 23.822 -4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.151 22.063 -5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.620 23.624 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.563 22.160 -4.770 1.00 0.00 H new ATOM 858 N LYS A 51 2.914 25.025 -0.303 1.00 0.00 N ATOM 859 CA LYS A 51 2.630 25.653 0.981 1.00 0.00 C ATOM 860 C LYS A 51 2.813 27.165 0.899 1.00 0.00 C ATOM 861 O LYS A 51 2.143 27.920 1.604 1.00 0.00 O ATOM 862 CB LYS A 51 3.541 25.077 2.067 1.00 0.00 C ATOM 863 CG LYS A 51 4.965 25.600 2.007 1.00 0.00 C ATOM 864 CD LYS A 51 5.836 24.970 3.082 1.00 0.00 C ATOM 865 CE LYS A 51 5.895 25.837 4.330 1.00 0.00 C ATOM 866 NZ LYS A 51 4.597 25.846 5.061 1.00 0.00 N ATOM 0 H LYS A 51 3.786 24.496 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 51 1.592 25.443 1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.119 25.309 3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.558 23.991 1.977 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.389 25.391 1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.961 26.683 2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.444 23.986 3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.843 24.820 2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.681 25.470 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.162 26.856 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.761 26.097 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.960 26.545 4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.163 24.902 5.009 1.00 0.00 H new ATOM 880 N ARG A 52 3.724 27.601 0.035 1.00 0.00 N ATOM 881 CA ARG A 52 3.994 29.023 -0.139 1.00 0.00 C ATOM 882 C ARG A 52 2.835 29.714 -0.851 1.00 0.00 C ATOM 883 O ARG A 52 2.360 30.762 -0.414 1.00 0.00 O ATOM 884 CB ARG A 52 5.287 29.225 -0.932 1.00 0.00 C ATOM 885 CG ARG A 52 6.534 29.264 -0.064 1.00 0.00 C ATOM 886 CD ARG A 52 6.946 30.692 0.256 1.00 0.00 C ATOM 887 NE ARG A 52 5.927 31.395 1.031 1.00 0.00 N ATOM 888 CZ ARG A 52 5.835 32.719 1.095 1.00 0.00 C ATOM 889 NH1 ARG A 52 6.698 33.479 0.434 1.00 0.00 N ATOM 890 NH2 ARG A 52 4.880 33.285 1.821 1.00 0.00 N ATOM 0 H ARG A 52 4.288 26.990 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 52 4.108 29.469 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.386 28.420 -1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.217 30.156 -1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.350 28.721 0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.351 28.755 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.883 30.683 0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.132 31.232 -0.672 1.00 0.00 H new ATOM 0 HE ARG A 52 5.249 30.839 1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.434 33.047 -0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.626 34.495 0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.215 32.704 2.331 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.811 34.302 1.869 1.00 0.00 H new ATOM 904 N THR A 53 2.384 29.119 -1.951 1.00 0.00 N ATOM 905 CA THR A 53 1.283 29.678 -2.725 1.00 0.00 C ATOM 906 C THR A 53 -0.052 29.446 -2.026 1.00 0.00 C ATOM 907 O THR A 53 -0.783 30.393 -1.730 1.00 0.00 O ATOM 908 CB THR A 53 1.222 29.067 -4.138 1.00 0.00 C ATOM 909 OG1 THR A 53 1.277 27.639 -4.057 1.00 0.00 O ATOM 910 CG2 THR A 53 2.370 29.576 -4.996 1.00 0.00 C ATOM 0 H THR A 53 2.765 28.250 -2.326 1.00 0.00 H new ATOM 0 HA THR A 53 1.466 30.749 -2.808 1.00 0.00 H new ATOM 0 HB THR A 53 0.282 29.368 -4.600 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.203 27.340 -4.173 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.307 29.131 -5.989 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.309 30.661 -5.080 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.319 29.301 -4.535 1.00 0.00 H new