USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 396 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 5 LYS NZ :NH3+ -166:sc= -0.0411 (180deg=-0.296) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.75 K(o=-1.8,f=-2.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 1.25 K(o=1.2,f=-4.5!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= -0.0453 (180deg=-0.259) USER MOD Single : A 38 LYS NZ :NH3+ -146:sc= 1.31 (180deg=1.13) USER MOD Single : A 43 LYS NZ :NH3+ -171:sc=-0.00961 (180deg=-0.102) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= -0.0835 (180deg=-0.412) USER MOD ----------------------------------------------------------------- ATOM 37 N GLU A 4 9.114 11.377 -36.852 1.00 0.00 N ATOM 38 CA GLU A 4 9.813 12.609 -36.581 1.00 0.00 C ATOM 39 C GLU A 4 11.312 12.403 -36.913 1.00 0.00 C ATOM 40 O GLU A 4 11.758 11.260 -37.029 1.00 0.00 O ATOM 41 CB GLU A 4 9.621 13.019 -35.104 1.00 0.00 C ATOM 42 CG GLU A 4 10.229 14.368 -34.743 1.00 0.00 C ATOM 43 CD GLU A 4 9.763 15.472 -35.661 1.00 0.00 C ATOM 44 OE1 GLU A 4 8.774 16.151 -35.331 1.00 0.00 O ATOM 45 OE2 GLU A 4 10.383 15.660 -36.730 1.00 0.00 O1- ATOM 0 HA GLU A 4 9.413 13.414 -37.198 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.554 13.044 -34.882 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.062 12.253 -34.466 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.967 14.619 -33.715 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.316 14.297 -34.786 1.00 0.00 H new ATOM 52 N LYS A 5 12.089 13.485 -37.051 1.00 0.00 N ATOM 53 CA LYS A 5 13.499 13.350 -37.400 1.00 0.00 C ATOM 54 C LYS A 5 14.367 13.267 -36.157 1.00 0.00 C ATOM 55 O LYS A 5 15.592 13.319 -36.231 1.00 0.00 O ATOM 56 CB LYS A 5 13.945 14.492 -38.310 1.00 0.00 C ATOM 57 CG LYS A 5 13.174 14.538 -39.614 1.00 0.00 C ATOM 58 CD LYS A 5 13.702 15.603 -40.548 1.00 0.00 C ATOM 59 CE LYS A 5 12.881 15.662 -41.824 1.00 0.00 C ATOM 60 NZ LYS A 5 12.856 14.358 -42.539 1.00 0.00 N1+ ATOM 0 H LYS A 5 11.768 14.445 -36.928 1.00 0.00 H new ATOM 0 HA LYS A 5 13.621 12.416 -37.949 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.820 15.439 -37.785 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.008 14.385 -38.525 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.232 13.566 -40.104 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.121 14.728 -39.406 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.678 16.573 -40.051 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.744 15.395 -40.791 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.861 15.962 -41.584 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.291 16.427 -42.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.495 14.498 -43.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.819 13.968 -42.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.237 13.695 -42.030 1.00 0.00 H new ATOM 74 N LEU A 6 13.722 13.126 -35.020 1.00 0.00 N ATOM 75 CA LEU A 6 14.416 12.958 -33.762 1.00 0.00 C ATOM 76 C LEU A 6 14.306 11.495 -33.341 1.00 0.00 C ATOM 77 O LEU A 6 13.960 10.642 -34.163 1.00 0.00 O ATOM 78 CB LEU A 6 13.814 13.873 -32.688 1.00 0.00 C ATOM 79 CG LEU A 6 13.867 15.376 -32.985 1.00 0.00 C ATOM 80 CD1 LEU A 6 13.216 16.164 -31.859 1.00 0.00 C ATOM 81 CD2 LEU A 6 15.304 15.832 -33.194 1.00 0.00 C ATOM 0 H LEU A 6 12.705 13.125 -34.941 1.00 0.00 H new ATOM 0 HA LEU A 6 15.465 13.231 -33.880 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.773 13.588 -32.537 1.00 0.00 H new ATOM 0 HB3 LEU A 6 14.334 13.689 -31.748 1.00 0.00 H new ATOM 0 HG LEU A 6 13.312 15.564 -33.904 1.00 0.00 H new ATOM 0 HD11 LEU A 6 13.262 17.229 -32.086 1.00 0.00 H new ATOM 0 HD12 LEU A 6 12.174 15.860 -31.757 1.00 0.00 H new ATOM 0 HD13 LEU A 6 13.744 15.969 -30.926 1.00 0.00 H new ATOM 0 HD21 LEU A 6 15.319 16.902 -33.404 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.884 15.630 -32.294 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.739 15.291 -34.035 1.00 0.00 H new ATOM 93 N THR A 7 14.592 11.196 -32.092 1.00 0.00 N ATOM 94 CA THR A 7 14.492 9.834 -31.623 1.00 0.00 C ATOM 95 C THR A 7 13.130 9.613 -30.940 1.00 0.00 C ATOM 96 O THR A 7 12.368 10.569 -30.761 1.00 0.00 O ATOM 97 CB THR A 7 15.623 9.511 -30.637 1.00 0.00 C ATOM 98 OG1 THR A 7 15.613 10.466 -29.568 1.00 0.00 O ATOM 99 CG2 THR A 7 16.974 9.544 -31.337 1.00 0.00 C ATOM 0 H THR A 7 14.893 11.872 -31.390 1.00 0.00 H new ATOM 0 HA THR A 7 14.581 9.169 -32.482 1.00 0.00 H new ATOM 0 HB THR A 7 15.463 8.509 -30.239 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.334 10.259 -28.937 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.761 9.312 -30.620 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.986 8.807 -32.140 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.144 10.537 -31.754 1.00 0.00 H new ATOM 107 N ALA A 8 12.826 8.374 -30.536 1.00 0.00 N ATOM 108 CA ALA A 8 11.552 8.103 -29.886 1.00 0.00 C ATOM 109 C ALA A 8 11.602 8.557 -28.439 1.00 0.00 C ATOM 110 O ALA A 8 10.583 8.929 -27.853 1.00 0.00 O ATOM 111 CB ALA A 8 11.170 6.619 -29.988 1.00 0.00 C ATOM 0 H ALA A 8 13.435 7.563 -30.647 1.00 0.00 H new ATOM 0 HA ALA A 8 10.777 8.668 -30.404 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.214 6.455 -29.492 1.00 0.00 H new ATOM 0 HB2 ALA A 8 11.088 6.336 -31.037 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.937 6.012 -29.507 1.00 0.00 H new ATOM 117 N ASP A 9 12.803 8.556 -27.874 1.00 0.00 N ATOM 118 CA ASP A 9 12.998 8.988 -26.494 1.00 0.00 C ATOM 119 C ASP A 9 12.861 10.497 -26.389 1.00 0.00 C ATOM 120 O ASP A 9 12.390 11.013 -25.377 1.00 0.00 O ATOM 121 CB ASP A 9 14.370 8.530 -25.945 1.00 0.00 C ATOM 122 CG ASP A 9 14.652 9.064 -24.549 1.00 0.00 C ATOM 123 OD1 ASP A 9 14.179 8.458 -23.566 1.00 0.00 O ATOM 124 OD2 ASP A 9 15.354 10.090 -24.427 1.00 0.00 O1- ATOM 0 H ASP A 9 13.656 8.261 -28.349 1.00 0.00 H new ATOM 0 HA ASP A 9 12.225 8.520 -25.885 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.404 7.441 -25.926 1.00 0.00 H new ATOM 0 HB3 ASP A 9 15.157 8.862 -26.622 1.00 0.00 H new ATOM 129 N ALA A 10 13.235 11.202 -27.457 1.00 0.00 N ATOM 130 CA ALA A 10 13.174 12.664 -27.465 1.00 0.00 C ATOM 131 C ALA A 10 11.731 13.160 -27.451 1.00 0.00 C ATOM 132 O ALA A 10 11.433 14.199 -26.865 1.00 0.00 O ATOM 133 CB ALA A 10 13.946 13.257 -28.655 1.00 0.00 C ATOM 0 H ALA A 10 13.581 10.788 -28.322 1.00 0.00 H new ATOM 0 HA ALA A 10 13.657 13.011 -26.552 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.878 14.345 -28.627 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.992 12.957 -28.596 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.516 12.890 -29.587 1.00 0.00 H new ATOM 139 N GLU A 11 10.829 12.404 -28.074 1.00 0.00 N ATOM 140 CA GLU A 11 9.427 12.790 -28.104 1.00 0.00 C ATOM 141 C GLU A 11 8.780 12.526 -26.755 1.00 0.00 C ATOM 142 O GLU A 11 8.020 13.351 -26.243 1.00 0.00 O ATOM 143 CB GLU A 11 8.674 12.056 -29.212 1.00 0.00 C ATOM 144 CG GLU A 11 9.201 12.351 -30.606 1.00 0.00 C ATOM 145 CD GLU A 11 8.298 11.810 -31.686 1.00 0.00 C ATOM 146 OE1 GLU A 11 8.615 10.750 -32.264 1.00 0.00 O ATOM 147 OE2 GLU A 11 7.255 12.436 -31.953 1.00 0.00 O1- ATOM 0 H GLU A 11 11.043 11.532 -28.558 1.00 0.00 H new ATOM 0 HA GLU A 11 9.375 13.858 -28.317 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.733 10.983 -29.030 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.620 12.330 -29.166 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.308 13.429 -30.731 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.195 11.917 -30.716 1.00 0.00 H new ATOM 154 N LEU A 12 9.100 11.376 -26.174 1.00 0.00 N ATOM 155 CA LEU A 12 8.587 11.014 -24.861 1.00 0.00 C ATOM 156 C LEU A 12 9.127 11.975 -23.812 1.00 0.00 C ATOM 157 O LEU A 12 8.416 12.381 -22.895 1.00 0.00 O ATOM 158 CB LEU A 12 8.982 9.578 -24.507 1.00 0.00 C ATOM 159 CG LEU A 12 8.520 8.497 -25.487 1.00 0.00 C ATOM 160 CD1 LEU A 12 9.023 7.133 -25.049 1.00 0.00 C ATOM 161 CD2 LEU A 12 7.003 8.492 -25.609 1.00 0.00 C ATOM 0 H LEU A 12 9.714 10.678 -26.594 1.00 0.00 H new ATOM 0 HA LEU A 12 7.499 11.079 -24.882 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.068 9.529 -24.428 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.580 9.344 -23.521 1.00 0.00 H new ATOM 0 HG LEU A 12 8.940 8.723 -26.467 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.685 6.376 -25.757 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.113 7.140 -25.017 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.633 6.902 -24.058 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.697 7.716 -26.311 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.560 8.294 -24.633 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.664 9.463 -25.971 1.00 0.00 H new ATOM 173 N GLN A 13 10.390 12.351 -23.975 1.00 0.00 N ATOM 174 CA GLN A 13 11.038 13.290 -23.067 1.00 0.00 C ATOM 175 C GLN A 13 10.363 14.647 -23.177 1.00 0.00 C ATOM 176 O GLN A 13 10.112 15.306 -22.173 1.00 0.00 O ATOM 177 CB GLN A 13 12.556 13.391 -23.373 1.00 0.00 C ATOM 178 CG GLN A 13 13.356 14.255 -22.403 1.00 0.00 C ATOM 179 CD GLN A 13 13.236 15.735 -22.686 1.00 0.00 C ATOM 180 OE1 GLN A 13 13.039 16.147 -23.831 1.00 0.00 O ATOM 181 NE2 GLN A 13 13.358 16.542 -21.656 1.00 0.00 N ATOM 0 H GLN A 13 10.988 12.018 -24.731 1.00 0.00 H new ATOM 0 HA GLN A 13 10.935 12.930 -22.043 1.00 0.00 H new ATOM 0 HB2 GLN A 13 12.978 12.386 -23.373 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.682 13.790 -24.379 1.00 0.00 H new ATOM 0 HG2 GLN A 13 13.017 14.057 -21.386 1.00 0.00 H new ATOM 0 HG3 GLN A 13 14.406 13.966 -22.451 1.00 0.00 H new ATOM 0 HE21 GLN A 13 13.520 16.159 -20.725 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.290 17.551 -21.788 1.00 0.00 H new ATOM 190 N ARG A 14 10.056 15.043 -24.409 1.00 0.00 N ATOM 191 CA ARG A 14 9.372 16.313 -24.676 1.00 0.00 C ATOM 192 C ARG A 14 8.049 16.386 -23.914 1.00 0.00 C ATOM 193 O ARG A 14 7.781 17.357 -23.205 1.00 0.00 O ATOM 194 CB ARG A 14 9.110 16.485 -26.188 1.00 0.00 C ATOM 195 CG ARG A 14 8.344 17.750 -26.544 1.00 0.00 C ATOM 196 CD ARG A 14 7.943 17.765 -28.012 1.00 0.00 C ATOM 197 NE ARG A 14 9.102 17.800 -28.909 1.00 0.00 N ATOM 198 CZ ARG A 14 9.041 17.570 -30.227 1.00 0.00 C ATOM 199 NH1 ARG A 14 7.885 17.260 -30.798 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 10.138 17.651 -30.969 1.00 0.00 N ATOM 0 H ARG A 14 10.270 14.501 -25.246 1.00 0.00 H new ATOM 0 HA ARG A 14 10.021 17.119 -24.335 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.065 16.491 -26.713 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.553 15.621 -26.550 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.452 17.824 -25.921 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.959 18.623 -26.325 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.344 16.881 -28.231 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.312 18.633 -28.204 1.00 0.00 H new ATOM 0 HE ARG A 14 10.013 18.013 -28.503 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.038 17.196 -30.233 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.843 17.086 -31.802 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.030 17.889 -30.536 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.089 17.475 -31.973 1.00 0.00 H new ATOM 214 N LEU A 15 7.242 15.339 -24.046 1.00 0.00 N ATOM 215 CA LEU A 15 5.933 15.286 -23.399 1.00 0.00 C ATOM 216 C LEU A 15 6.058 15.203 -21.876 1.00 0.00 C ATOM 217 O LEU A 15 5.174 15.654 -21.148 1.00 0.00 O ATOM 218 CB LEU A 15 5.113 14.099 -23.932 1.00 0.00 C ATOM 219 CG LEU A 15 4.846 14.096 -25.440 1.00 0.00 C ATOM 220 CD1 LEU A 15 4.094 12.839 -25.846 1.00 0.00 C ATOM 221 CD2 LEU A 15 4.069 15.339 -25.853 1.00 0.00 C ATOM 0 H LEU A 15 7.471 14.512 -24.597 1.00 0.00 H new ATOM 0 HA LEU A 15 5.412 16.212 -23.640 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.633 13.177 -23.673 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.155 14.081 -23.413 1.00 0.00 H new ATOM 0 HG LEU A 15 5.806 14.106 -25.956 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.913 12.854 -26.921 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.688 11.961 -25.590 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.141 12.799 -25.318 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.890 15.316 -26.928 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.115 15.363 -25.327 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.645 16.229 -25.600 1.00 0.00 H new ATOM 233 N LYS A 16 7.157 14.641 -21.398 1.00 0.00 N ATOM 234 CA LYS A 16 7.370 14.499 -19.968 1.00 0.00 C ATOM 235 C LYS A 16 7.925 15.789 -19.373 1.00 0.00 C ATOM 236 O LYS A 16 7.543 16.194 -18.276 1.00 0.00 O ATOM 237 CB LYS A 16 8.314 13.327 -19.681 1.00 0.00 C ATOM 238 CG LYS A 16 8.506 13.038 -18.202 1.00 0.00 C ATOM 239 CD LYS A 16 9.364 11.804 -17.985 1.00 0.00 C ATOM 240 CE LYS A 16 9.510 11.487 -16.506 1.00 0.00 C ATOM 241 NZ LYS A 16 10.275 10.239 -16.282 1.00 0.00 N1+ ATOM 0 H LYS A 16 7.913 14.277 -21.978 1.00 0.00 H new ATOM 0 HA LYS A 16 6.408 14.293 -19.498 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.925 12.433 -20.168 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.285 13.538 -20.129 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.973 13.897 -17.720 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.535 12.895 -17.729 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.918 10.953 -18.499 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.349 11.961 -18.425 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.011 12.315 -16.005 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.522 11.393 -16.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.352 10.058 -15.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.784 9.444 -16.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.227 10.337 -16.689 1.00 0.00 H new ATOM 255 N ASN A 17 8.812 16.442 -20.114 1.00 0.00 N ATOM 256 CA ASN A 17 9.429 17.692 -19.654 1.00 0.00 C ATOM 257 C ASN A 17 8.414 18.820 -19.631 1.00 0.00 C ATOM 258 O ASN A 17 8.501 19.729 -18.804 1.00 0.00 O ATOM 259 CB ASN A 17 10.641 18.081 -20.528 1.00 0.00 C ATOM 260 CG ASN A 17 11.271 19.396 -20.103 1.00 0.00 C ATOM 261 OD1 ASN A 17 10.894 20.466 -20.586 1.00 0.00 O ATOM 262 ND2 ASN A 17 12.230 19.328 -19.201 1.00 0.00 N ATOM 0 H ASN A 17 9.123 16.132 -21.035 1.00 0.00 H new ATOM 0 HA ASN A 17 9.787 17.523 -18.638 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.390 17.291 -20.476 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.325 18.154 -21.569 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.688 20.180 -18.879 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.514 18.423 -18.825 1.00 0.00 H new ATOM 269 N GLU A 18 7.436 18.750 -20.524 1.00 0.00 N ATOM 270 CA GLU A 18 6.405 19.778 -20.593 1.00 0.00 C ATOM 271 C GLU A 18 5.411 19.603 -19.447 1.00 0.00 C ATOM 272 O GLU A 18 4.647 20.518 -19.130 1.00 0.00 O ATOM 273 CB GLU A 18 5.679 19.747 -21.947 1.00 0.00 C ATOM 274 CG GLU A 18 4.782 20.948 -22.181 1.00 0.00 C ATOM 275 CD GLU A 18 4.134 20.935 -23.541 1.00 0.00 C ATOM 276 OE1 GLU A 18 4.841 21.149 -24.548 1.00 0.00 O ATOM 277 OE2 GLU A 18 2.911 20.732 -23.616 1.00 0.00 O1- ATOM 0 H GLU A 18 7.334 17.998 -21.206 1.00 0.00 H new ATOM 0 HA GLU A 18 6.887 20.751 -20.496 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.419 19.695 -22.746 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.080 18.839 -22.008 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.007 20.972 -21.414 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.368 21.861 -22.071 1.00 0.00 H new ATOM 284 N ARG A 19 5.455 18.414 -18.825 1.00 0.00 N ATOM 285 CA ARG A 19 4.600 18.057 -17.691 1.00 0.00 C ATOM 286 C ARG A 19 3.155 17.845 -18.140 1.00 0.00 C ATOM 287 O ARG A 19 2.545 18.723 -18.752 1.00 0.00 O ATOM 288 CB ARG A 19 4.668 19.126 -16.588 1.00 0.00 C ATOM 289 CG ARG A 19 4.354 18.609 -15.193 1.00 0.00 C ATOM 290 CD ARG A 19 5.470 17.710 -14.676 1.00 0.00 C ATOM 291 NE ARG A 19 6.766 18.400 -14.665 1.00 0.00 N ATOM 292 CZ ARG A 19 7.886 17.902 -14.140 1.00 0.00 C ATOM 293 NH1 ARG A 19 7.889 16.697 -13.579 1.00 0.00 N1+ ATOM 294 NH2 ARG A 19 9.008 18.613 -14.187 1.00 0.00 N ATOM 0 H ARG A 19 6.094 17.668 -19.101 1.00 0.00 H new ATOM 0 HA ARG A 19 4.972 17.119 -17.280 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.666 19.564 -16.584 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.970 19.927 -16.831 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.216 19.450 -14.513 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.415 18.055 -15.210 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.228 17.374 -13.667 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.538 16.819 -15.301 1.00 0.00 H new ATOM 0 HE ARG A 19 6.813 19.326 -15.089 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.031 16.147 -13.548 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.750 16.323 -13.179 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.010 19.535 -14.623 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.867 18.237 -13.787 1.00 0.00 H new ATOM 308 N HIS A 20 2.612 16.679 -17.839 1.00 0.00 N ATOM 309 CA HIS A 20 1.233 16.368 -18.223 1.00 0.00 C ATOM 310 C HIS A 20 0.250 17.194 -17.406 1.00 0.00 C ATOM 311 O HIS A 20 -0.657 17.823 -17.961 1.00 0.00 O ATOM 312 CB HIS A 20 0.936 14.871 -18.076 1.00 0.00 C ATOM 313 CG HIS A 20 1.726 14.010 -19.004 1.00 0.00 C ATOM 314 ND1 HIS A 20 2.587 13.029 -18.569 1.00 0.00 N ATOM 315 CD2 HIS A 20 1.777 13.981 -20.357 1.00 0.00 C ATOM 316 CE1 HIS A 20 3.133 12.435 -19.615 1.00 0.00 C ATOM 317 NE2 HIS A 20 2.659 12.992 -20.709 1.00 0.00 N ATOM 0 H HIS A 20 3.093 15.934 -17.335 1.00 0.00 H new ATOM 0 HA HIS A 20 1.113 16.628 -19.275 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.141 14.568 -17.049 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.126 14.701 -18.252 1.00 0.00 H new ATOM 0 HD2 HIS A 20 1.226 14.618 -21.033 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.849 11.627 -19.578 1.00 0.00 H new ATOM 0 HE2 HIS A 20 2.907 12.731 -21.663 1.00 0.00 H new ATOM 325 N GLU A 21 0.446 17.190 -16.083 1.00 0.00 N ATOM 326 CA GLU A 21 -0.374 17.987 -15.130 1.00 0.00 C ATOM 327 C GLU A 21 -1.806 17.461 -14.988 1.00 0.00 C ATOM 328 O GLU A 21 -2.228 17.080 -13.890 1.00 0.00 O ATOM 329 CB GLU A 21 -0.406 19.466 -15.537 1.00 0.00 C ATOM 330 CG GLU A 21 0.957 20.131 -15.560 1.00 0.00 C ATOM 331 CD GLU A 21 0.874 21.589 -15.937 1.00 0.00 C ATOM 332 OE1 GLU A 21 1.004 21.907 -17.141 1.00 0.00 O ATOM 333 OE2 GLU A 21 0.681 22.429 -15.032 1.00 0.00 O1- ATOM 0 H GLU A 21 1.175 16.638 -15.631 1.00 0.00 H new ATOM 0 HA GLU A 21 0.110 17.885 -14.158 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.856 19.550 -16.526 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.051 20.008 -14.846 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.422 20.037 -14.578 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.601 19.610 -16.269 1.00 0.00 H new ATOM 340 N GLU A 22 -2.542 17.418 -16.094 1.00 0.00 N ATOM 341 CA GLU A 22 -3.940 16.999 -16.071 1.00 0.00 C ATOM 342 C GLU A 22 -4.074 15.559 -15.604 1.00 0.00 C ATOM 343 O GLU A 22 -5.084 15.186 -15.017 1.00 0.00 O ATOM 344 CB GLU A 22 -4.595 17.171 -17.445 1.00 0.00 C ATOM 345 CG GLU A 22 -4.390 18.539 -18.062 1.00 0.00 C ATOM 346 CD GLU A 22 -5.101 18.679 -19.384 1.00 0.00 C ATOM 347 OE1 GLU A 22 -4.684 18.028 -20.360 1.00 0.00 O ATOM 348 OE2 GLU A 22 -6.083 19.450 -19.455 1.00 0.00 O1- ATOM 0 H GLU A 22 -2.193 17.669 -17.019 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.459 17.642 -15.360 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.197 16.416 -18.122 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.665 16.983 -17.352 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.751 19.304 -17.374 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.324 18.716 -18.204 1.00 0.00 H new ATOM 355 N ALA A 23 -3.040 14.761 -15.846 1.00 0.00 N ATOM 356 CA ALA A 23 -3.048 13.361 -15.434 1.00 0.00 C ATOM 357 C ALA A 23 -3.033 13.238 -13.915 1.00 0.00 C ATOM 358 O ALA A 23 -3.564 12.285 -13.360 1.00 0.00 O ATOM 359 CB ALA A 23 -1.875 12.590 -16.053 1.00 0.00 C ATOM 0 H ALA A 23 -2.189 15.057 -16.323 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.972 12.915 -15.802 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.910 11.551 -15.726 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.946 12.631 -17.140 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.935 13.039 -15.733 1.00 0.00 H new ATOM 365 N GLU A 24 -2.451 14.225 -13.242 1.00 0.00 N ATOM 366 CA GLU A 24 -2.378 14.201 -11.788 1.00 0.00 C ATOM 367 C GLU A 24 -3.645 14.813 -11.196 1.00 0.00 C ATOM 368 O GLU A 24 -4.170 14.333 -10.189 1.00 0.00 O ATOM 369 CB GLU A 24 -1.128 14.946 -11.282 1.00 0.00 C ATOM 370 CG GLU A 24 -0.823 14.718 -9.803 1.00 0.00 C ATOM 371 CD GLU A 24 -0.470 13.272 -9.492 1.00 0.00 C ATOM 372 OE1 GLU A 24 0.721 12.909 -9.595 1.00 0.00 O ATOM 373 OE2 GLU A 24 -1.382 12.488 -9.151 1.00 0.00 O1- ATOM 0 H GLU A 24 -2.027 15.044 -13.677 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.299 13.164 -11.463 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.267 14.632 -11.872 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.260 16.014 -11.454 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.004 15.362 -9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.688 15.012 -9.208 1.00 0.00 H new ATOM 380 N LEU A 25 -4.148 15.862 -11.844 1.00 0.00 N ATOM 381 CA LEU A 25 -5.359 16.535 -11.385 1.00 0.00 C ATOM 382 C LEU A 25 -6.594 15.662 -11.617 1.00 0.00 C ATOM 383 O LEU A 25 -7.549 15.701 -10.836 1.00 0.00 O ATOM 384 CB LEU A 25 -5.520 17.906 -12.070 1.00 0.00 C ATOM 385 CG LEU A 25 -4.345 18.872 -11.898 1.00 0.00 C ATOM 386 CD1 LEU A 25 -4.624 20.183 -12.609 1.00 0.00 C ATOM 387 CD2 LEU A 25 -4.060 19.113 -10.422 1.00 0.00 C ATOM 0 H LEU A 25 -3.736 16.263 -12.687 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.263 16.702 -10.312 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.681 17.743 -13.136 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.420 18.383 -11.681 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.461 18.419 -12.347 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.778 20.857 -12.475 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.774 19.996 -13.672 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.521 20.640 -12.191 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.222 19.802 -10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.942 19.542 -9.947 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.812 18.167 -9.940 1.00 0.00 H new ATOM 399 N GLU A 26 -6.564 14.859 -12.680 1.00 0.00 N ATOM 400 CA GLU A 26 -7.666 13.947 -12.973 1.00 0.00 C ATOM 401 C GLU A 26 -7.592 12.766 -12.030 1.00 0.00 C ATOM 402 O GLU A 26 -8.611 12.288 -11.519 1.00 0.00 O ATOM 403 CB GLU A 26 -7.612 13.458 -14.429 1.00 0.00 C ATOM 404 CG GLU A 26 -8.733 12.503 -14.799 1.00 0.00 C ATOM 405 CD GLU A 26 -8.611 11.994 -16.211 1.00 0.00 C ATOM 406 OE1 GLU A 26 -8.041 10.906 -16.408 1.00 0.00 O ATOM 407 OE2 GLU A 26 -9.083 12.682 -17.139 1.00 0.00 O1- ATOM 0 H GLU A 26 -5.794 14.822 -13.348 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.607 14.479 -12.834 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.649 14.321 -15.094 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.656 12.964 -14.601 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.730 11.659 -14.110 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.691 13.008 -14.679 1.00 0.00 H new ATOM 414 N ARG A 27 -6.368 12.315 -11.788 1.00 0.00 N ATOM 415 CA ARG A 27 -6.111 11.204 -10.878 1.00 0.00 C ATOM 416 C ARG A 27 -6.567 11.569 -9.475 1.00 0.00 C ATOM 417 O ARG A 27 -7.057 10.729 -8.741 1.00 0.00 O ATOM 418 CB ARG A 27 -4.615 10.848 -10.869 1.00 0.00 C ATOM 419 CG ARG A 27 -4.257 9.637 -10.026 1.00 0.00 C ATOM 420 CD ARG A 27 -2.757 9.394 -10.039 1.00 0.00 C ATOM 421 NE ARG A 27 -2.247 9.170 -11.398 1.00 0.00 N ATOM 422 CZ ARG A 27 -1.193 9.803 -11.932 1.00 0.00 C ATOM 423 NH1 ARG A 27 -0.559 10.750 -11.253 1.00 0.00 N1+ ATOM 424 NH2 ARG A 27 -0.792 9.500 -13.162 1.00 0.00 N ATOM 0 H ARG A 27 -5.528 12.706 -12.214 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.671 10.335 -11.223 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.292 10.668 -11.894 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.053 11.707 -10.503 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.596 9.789 -9.001 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.776 8.757 -10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.247 10.250 -9.597 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.525 8.529 -9.418 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.730 8.483 -11.977 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.873 11.002 -10.316 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.242 11.226 -11.668 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.286 8.787 -13.698 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.010 9.981 -13.570 1.00 0.00 H new ATOM 438 N LEU A 28 -6.422 12.846 -9.126 1.00 0.00 N ATOM 439 CA LEU A 28 -6.817 13.337 -7.799 1.00 0.00 C ATOM 440 C LEU A 28 -8.314 13.134 -7.556 1.00 0.00 C ATOM 441 O LEU A 28 -8.739 12.887 -6.427 1.00 0.00 O ATOM 442 CB LEU A 28 -6.443 14.828 -7.615 1.00 0.00 C ATOM 443 CG LEU A 28 -6.822 15.450 -6.265 1.00 0.00 C ATOM 444 CD1 LEU A 28 -6.087 14.758 -5.125 1.00 0.00 C ATOM 445 CD2 LEU A 28 -6.529 16.942 -6.265 1.00 0.00 C ATOM 0 H LEU A 28 -6.035 13.562 -9.740 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.266 12.753 -7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.367 14.933 -7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.923 15.404 -8.406 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.892 15.309 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.371 15.216 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.351 13.701 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.012 14.862 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.804 17.367 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.466 17.104 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.107 17.426 -7.052 1.00 0.00 H new ATOM 457 N LYS A 29 -9.104 13.199 -8.623 1.00 0.00 N ATOM 458 CA LYS A 29 -10.551 13.044 -8.497 1.00 0.00 C ATOM 459 C LYS A 29 -10.909 11.586 -8.202 1.00 0.00 C ATOM 460 O LYS A 29 -11.919 11.303 -7.563 1.00 0.00 O ATOM 461 CB LYS A 29 -11.283 13.564 -9.760 1.00 0.00 C ATOM 462 CG LYS A 29 -12.806 13.556 -9.648 1.00 0.00 C ATOM 463 CD LYS A 29 -13.462 14.314 -10.803 1.00 0.00 C ATOM 464 CE LYS A 29 -13.147 13.683 -12.152 1.00 0.00 C ATOM 465 NZ LYS A 29 -13.776 14.426 -13.275 1.00 0.00 N1+ ATOM 0 H LYS A 29 -8.773 13.356 -9.575 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.888 13.651 -7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.950 14.581 -9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.989 12.953 -10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.165 12.527 -9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.104 14.007 -8.701 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.542 14.335 -10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.120 15.349 -10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.067 13.655 -12.296 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.496 12.651 -12.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.536 13.963 -14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.809 14.431 -13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.424 15.404 -13.284 1.00 0.00 H new ATOM 479 N SER A 30 -10.072 10.667 -8.669 1.00 0.00 N ATOM 480 CA SER A 30 -10.272 9.250 -8.408 1.00 0.00 C ATOM 481 C SER A 30 -9.537 8.828 -7.129 1.00 0.00 C ATOM 482 O SER A 30 -9.932 7.872 -6.452 1.00 0.00 O ATOM 483 CB SER A 30 -9.796 8.419 -9.600 1.00 0.00 C ATOM 484 OG SER A 30 -10.405 8.869 -10.802 1.00 0.00 O ATOM 0 H SER A 30 -9.248 10.880 -9.231 1.00 0.00 H new ATOM 0 HA SER A 30 -11.338 9.071 -8.264 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.712 8.488 -9.688 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.036 7.368 -9.436 1.00 0.00 H new ATOM 0 HG SER A 30 -10.087 8.326 -11.553 1.00 0.00 H new ATOM 490 N GLU A 31 -8.468 9.555 -6.803 1.00 0.00 N ATOM 491 CA GLU A 31 -7.667 9.257 -5.623 1.00 0.00 C ATOM 492 C GLU A 31 -8.420 9.657 -4.363 1.00 0.00 C ATOM 493 O GLU A 31 -8.316 8.997 -3.326 1.00 0.00 O ATOM 494 CB GLU A 31 -6.284 9.949 -5.688 1.00 0.00 C ATOM 495 CG GLU A 31 -5.359 9.578 -4.544 1.00 0.00 C ATOM 496 CD GLU A 31 -5.053 8.100 -4.508 1.00 0.00 C ATOM 497 OE1 GLU A 31 -4.060 7.681 -5.131 1.00 0.00 O ATOM 498 OE2 GLU A 31 -5.802 7.349 -3.859 1.00 0.00 O1- ATOM 0 H GLU A 31 -8.139 10.355 -7.343 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.489 8.182 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.802 9.690 -6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.428 11.029 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.428 10.137 -4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.816 9.875 -3.600 1.00 0.00 H new ATOM 505 N ARG A 32 -9.195 10.724 -4.456 1.00 0.00 N ATOM 506 CA ARG A 32 -9.996 11.162 -3.344 1.00 0.00 C ATOM 507 C ARG A 32 -11.402 10.562 -3.510 1.00 0.00 C ATOM 508 O ARG A 32 -11.739 10.105 -4.602 1.00 0.00 O ATOM 509 CB ARG A 32 -10.049 12.698 -3.301 1.00 0.00 C ATOM 510 CG ARG A 32 -10.775 13.275 -2.091 1.00 0.00 C ATOM 511 CD ARG A 32 -10.595 14.782 -2.006 1.00 0.00 C ATOM 512 NE ARG A 32 -9.188 15.148 -1.818 1.00 0.00 N ATOM 513 CZ ARG A 32 -8.733 16.399 -1.715 1.00 0.00 C ATOM 514 NH1 ARG A 32 -9.574 17.429 -1.769 1.00 0.00 N1+ ATOM 515 NH2 ARG A 32 -7.431 16.619 -1.554 1.00 0.00 N ATOM 0 H ARG A 32 -9.281 11.298 -5.294 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.563 10.826 -2.402 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.030 13.084 -3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.538 13.057 -4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.837 13.036 -2.153 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.397 12.809 -1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.974 15.246 -2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.187 15.174 -1.179 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.506 14.391 -1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.574 17.265 -1.890 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.219 18.382 -1.690 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.783 15.833 -1.510 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.081 17.574 -1.475 1.00 0.00 H new ATOM 529 N HIS A 33 -12.217 10.537 -2.465 1.00 0.00 N ATOM 530 CA HIS A 33 -13.534 9.954 -2.585 1.00 0.00 C ATOM 531 C HIS A 33 -14.580 11.050 -2.833 1.00 0.00 C ATOM 532 O HIS A 33 -14.264 12.236 -2.742 1.00 0.00 O ATOM 533 CB HIS A 33 -13.889 9.149 -1.322 1.00 0.00 C ATOM 534 CG HIS A 33 -14.034 9.984 -0.082 1.00 0.00 C ATOM 535 ND1 HIS A 33 -12.965 10.540 0.581 1.00 0.00 N ATOM 536 CD2 HIS A 33 -15.137 10.366 0.605 1.00 0.00 C ATOM 537 CE1 HIS A 33 -13.399 11.224 1.620 1.00 0.00 C ATOM 538 NE2 HIS A 33 -14.714 11.137 1.656 1.00 0.00 N ATOM 0 H HIS A 33 -11.990 10.908 -1.542 1.00 0.00 H new ATOM 0 HA HIS A 33 -13.533 9.273 -3.436 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -14.822 8.612 -1.497 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -13.116 8.399 -1.153 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -16.159 10.111 0.369 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.782 11.764 2.323 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -15.318 11.573 2.353 1.00 0.00 H new ATOM 546 N ASP A 34 -15.820 10.656 -3.116 1.00 0.00 N ATOM 547 CA ASP A 34 -16.879 11.614 -3.350 1.00 0.00 C ATOM 548 C ASP A 34 -18.131 11.169 -2.638 1.00 0.00 C ATOM 549 O ASP A 34 -18.785 10.212 -3.050 1.00 0.00 O ATOM 550 CB ASP A 34 -17.150 11.784 -4.843 1.00 0.00 C ATOM 551 CG ASP A 34 -18.347 12.672 -5.109 1.00 0.00 C ATOM 552 OD1 ASP A 34 -18.268 13.891 -4.837 1.00 0.00 O ATOM 553 OD2 ASP A 34 -19.376 12.158 -5.599 1.00 0.00 O1- ATOM 0 H ASP A 34 -16.108 9.680 -3.187 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.563 12.581 -2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.270 12.210 -5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.318 10.806 -5.294 1.00 0.00 H new ATOM 558 N HIS A 35 -18.445 11.844 -1.556 1.00 0.00 N ATOM 559 CA HIS A 35 -19.597 11.502 -0.743 1.00 0.00 C ATOM 560 C HIS A 35 -19.955 12.664 0.159 1.00 0.00 C ATOM 561 O HIS A 35 -21.119 13.043 0.256 1.00 0.00 O ATOM 562 CB HIS A 35 -19.304 10.240 0.084 1.00 0.00 C ATOM 563 CG HIS A 35 -20.372 9.871 1.073 1.00 0.00 C ATOM 564 ND1 HIS A 35 -20.087 9.524 2.369 1.00 0.00 N ATOM 565 CD2 HIS A 35 -21.720 9.784 0.950 1.00 0.00 C ATOM 566 CE1 HIS A 35 -21.205 9.239 3.006 1.00 0.00 C ATOM 567 NE2 HIS A 35 -22.210 9.390 2.169 1.00 0.00 N ATOM 0 H HIS A 35 -17.913 12.644 -1.213 1.00 0.00 H new ATOM 0 HA HIS A 35 -20.446 11.295 -1.394 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.155 9.403 -0.598 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -18.366 10.384 0.621 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -22.298 9.987 0.061 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -21.283 8.934 4.039 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -23.194 9.238 2.391 1.00 0.00 H new ATOM 575 N ASP A 36 -18.940 13.236 0.801 1.00 0.00 N ATOM 576 CA ASP A 36 -19.133 14.381 1.694 1.00 0.00 C ATOM 577 C ASP A 36 -19.788 15.526 0.941 1.00 0.00 C ATOM 578 O ASP A 36 -20.632 16.240 1.481 1.00 0.00 O ATOM 579 CB ASP A 36 -17.794 14.848 2.290 1.00 0.00 C ATOM 580 CG ASP A 36 -17.147 13.812 3.187 1.00 0.00 C ATOM 581 OD1 ASP A 36 -16.301 13.030 2.694 1.00 0.00 O ATOM 582 OD2 ASP A 36 -17.470 13.777 4.396 1.00 0.00 O1- ATOM 0 H ASP A 36 -17.972 12.926 0.721 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.783 14.067 2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -17.109 15.096 1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -17.957 15.763 2.860 1.00 0.00 H new ATOM 587 N LYS A 37 -19.404 15.676 -0.315 1.00 0.00 N ATOM 588 CA LYS A 37 -19.951 16.708 -1.180 1.00 0.00 C ATOM 589 C LYS A 37 -21.458 16.536 -1.348 1.00 0.00 C ATOM 590 O LYS A 37 -22.215 17.499 -1.254 1.00 0.00 O ATOM 591 CB LYS A 37 -19.270 16.657 -2.547 1.00 0.00 C ATOM 592 CG LYS A 37 -19.722 17.741 -3.507 1.00 0.00 C ATOM 593 CD LYS A 37 -19.055 17.585 -4.861 1.00 0.00 C ATOM 594 CE LYS A 37 -19.433 18.714 -5.801 1.00 0.00 C ATOM 595 NZ LYS A 37 -18.943 20.028 -5.316 1.00 0.00 N1+ ATOM 0 H LYS A 37 -18.704 15.086 -0.764 1.00 0.00 H new ATOM 0 HA LYS A 37 -19.764 17.677 -0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.192 16.738 -2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -19.461 15.684 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -20.805 17.698 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.485 18.721 -3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.973 17.563 -4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.344 16.631 -5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -19.020 18.516 -6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.517 18.749 -5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.992 20.723 -6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.535 20.348 -4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.958 19.935 -4.997 1.00 0.00 H new ATOM 609 N LYS A 38 -21.894 15.303 -1.572 1.00 0.00 N ATOM 610 CA LYS A 38 -23.312 15.045 -1.783 1.00 0.00 C ATOM 611 C LYS A 38 -24.074 15.133 -0.468 1.00 0.00 C ATOM 612 O LYS A 38 -25.278 15.373 -0.451 1.00 0.00 O ATOM 613 CB LYS A 38 -23.563 13.694 -2.462 1.00 0.00 C ATOM 614 CG LYS A 38 -24.925 13.616 -3.127 1.00 0.00 C ATOM 615 CD LYS A 38 -25.136 12.295 -3.832 1.00 0.00 C ATOM 616 CE LYS A 38 -26.398 12.322 -4.683 1.00 0.00 C ATOM 617 NZ LYS A 38 -27.603 12.687 -3.893 1.00 0.00 N1+ ATOM 0 H LYS A 38 -21.296 14.477 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 38 -23.681 15.817 -2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -22.788 13.518 -3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -23.479 12.899 -1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -25.703 13.755 -2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -25.025 14.430 -3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -24.274 12.074 -4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -25.207 11.494 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -26.270 13.036 -5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -26.548 11.343 -5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -28.429 12.176 -4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -27.456 12.429 -2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -27.768 13.711 -3.965 1.00 0.00 H new ATOM 631 N GLU A 39 -23.371 14.942 0.637 1.00 0.00 N ATOM 632 CA GLU A 39 -23.987 15.095 1.940 1.00 0.00 C ATOM 633 C GLU A 39 -24.299 16.566 2.178 1.00 0.00 C ATOM 634 O GLU A 39 -25.284 16.909 2.831 1.00 0.00 O ATOM 635 CB GLU A 39 -23.099 14.536 3.055 1.00 0.00 C ATOM 636 CG GLU A 39 -22.830 13.052 2.930 1.00 0.00 C ATOM 637 CD GLU A 39 -22.081 12.508 4.116 1.00 0.00 C ATOM 638 OE1 GLU A 39 -20.854 12.703 4.185 1.00 0.00 O ATOM 639 OE2 GLU A 39 -22.719 11.880 4.984 1.00 0.00 O1- ATOM 0 H GLU A 39 -22.384 14.684 0.656 1.00 0.00 H new ATOM 0 HA GLU A 39 -24.914 14.521 1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -22.149 15.070 3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -23.573 14.731 4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -23.776 12.521 2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -22.256 12.864 2.023 1.00 0.00 H new ATOM 646 N ALA A 40 -23.472 17.439 1.596 1.00 0.00 N ATOM 647 CA ALA A 40 -23.691 18.872 1.694 1.00 0.00 C ATOM 648 C ALA A 40 -24.790 19.275 0.726 1.00 0.00 C ATOM 649 O ALA A 40 -25.411 20.325 0.865 1.00 0.00 O ATOM 650 CB ALA A 40 -22.406 19.653 1.419 1.00 0.00 C ATOM 0 H ALA A 40 -22.649 17.173 1.055 1.00 0.00 H new ATOM 0 HA ALA A 40 -23.999 19.114 2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -22.605 20.722 1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -21.645 19.369 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -22.050 19.426 0.414 1.00 0.00 H new ATOM 656 N GLU A 41 -25.017 18.419 -0.260 1.00 0.00 N ATOM 657 CA GLU A 41 -26.097 18.603 -1.222 1.00 0.00 C ATOM 658 C GLU A 41 -27.420 18.338 -0.517 1.00 0.00 C ATOM 659 O GLU A 41 -28.370 19.117 -0.631 1.00 0.00 O ATOM 660 CB GLU A 41 -25.897 17.665 -2.449 1.00 0.00 C ATOM 661 CG GLU A 41 -27.045 17.639 -3.451 1.00 0.00 C ATOM 662 CD GLU A 41 -28.066 16.554 -3.150 1.00 0.00 C ATOM 663 OE1 GLU A 41 -29.160 16.883 -2.651 1.00 0.00 O ATOM 664 OE2 GLU A 41 -27.775 15.362 -3.417 1.00 0.00 O1- ATOM 0 H GLU A 41 -24.460 17.579 -0.417 1.00 0.00 H new ATOM 0 HA GLU A 41 -26.097 19.625 -1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -24.989 17.968 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -25.732 16.651 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -27.542 18.609 -3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -26.643 17.486 -4.453 1.00 0.00 H new ATOM 671 N ARG A 42 -27.458 17.246 0.238 1.00 0.00 N ATOM 672 CA ARG A 42 -28.628 16.891 1.028 1.00 0.00 C ATOM 673 C ARG A 42 -28.887 17.958 2.081 1.00 0.00 C ATOM 674 O ARG A 42 -30.013 18.434 2.244 1.00 0.00 O ATOM 675 CB ARG A 42 -28.420 15.541 1.720 1.00 0.00 C ATOM 676 CG ARG A 42 -28.194 14.375 0.776 1.00 0.00 C ATOM 677 CD ARG A 42 -27.866 13.110 1.551 1.00 0.00 C ATOM 678 NE ARG A 42 -27.695 11.953 0.676 1.00 0.00 N ATOM 679 CZ ARG A 42 -27.188 10.781 1.067 1.00 0.00 C ATOM 680 NH1 ARG A 42 -26.763 10.619 2.319 1.00 0.00 N1+ ATOM 681 NH2 ARG A 42 -27.097 9.778 0.204 1.00 0.00 N ATOM 0 H ARG A 42 -26.684 16.587 0.319 1.00 0.00 H new ATOM 0 HA ARG A 42 -29.485 16.820 0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -27.564 15.619 2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -29.291 15.327 2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -29.085 14.214 0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -27.379 14.609 0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -26.954 13.265 2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -28.663 12.907 2.266 1.00 0.00 H new ATOM 0 HE ARG A 42 -27.982 12.046 -0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -26.824 11.391 2.982 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -26.376 9.723 2.614 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -27.414 9.902 -0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -26.710 8.883 0.502 1.00 0.00 H new ATOM 695 N LYS A 43 -27.823 18.345 2.778 1.00 0.00 N ATOM 696 CA LYS A 43 -27.917 19.349 3.837 1.00 0.00 C ATOM 697 C LYS A 43 -28.365 20.707 3.282 1.00 0.00 C ATOM 698 O LYS A 43 -29.039 21.473 3.971 1.00 0.00 O ATOM 699 CB LYS A 43 -26.579 19.480 4.604 1.00 0.00 C ATOM 700 CG LYS A 43 -26.620 20.472 5.755 1.00 0.00 C ATOM 701 CD LYS A 43 -27.669 20.090 6.789 1.00 0.00 C ATOM 702 CE LYS A 43 -27.779 21.141 7.880 1.00 0.00 C ATOM 703 NZ LYS A 43 -26.519 21.277 8.652 1.00 0.00 N1+ ATOM 0 H LYS A 43 -26.883 17.979 2.629 1.00 0.00 H new ATOM 0 HA LYS A 43 -28.677 19.011 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -26.297 18.501 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -25.799 19.783 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -25.640 20.519 6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -26.835 21.469 5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -28.636 19.967 6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -27.412 19.128 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -28.035 22.102 7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -28.592 20.877 8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -26.682 21.889 9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -26.205 20.339 8.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -25.785 21.699 8.048 1.00 0.00 H new ATOM 717 N ALA A 44 -28.022 20.984 2.021 1.00 0.00 N ATOM 718 CA ALA A 44 -28.397 22.246 1.387 1.00 0.00 C ATOM 719 C ALA A 44 -29.912 22.394 1.315 1.00 0.00 C ATOM 720 O ALA A 44 -30.437 23.508 1.308 1.00 0.00 O ATOM 721 CB ALA A 44 -27.777 22.362 -0.003 1.00 0.00 C ATOM 0 H ALA A 44 -27.488 20.353 1.423 1.00 0.00 H new ATOM 0 HA ALA A 44 -28.008 23.057 2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -28.071 23.310 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -26.691 22.320 0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -28.126 21.539 -0.627 1.00 0.00 H new ATOM 727 N LEU A 45 -30.612 21.268 1.287 1.00 0.00 N ATOM 728 CA LEU A 45 -32.062 21.292 1.240 1.00 0.00 C ATOM 729 C LEU A 45 -32.628 21.435 2.648 1.00 0.00 C ATOM 730 O LEU A 45 -33.679 22.038 2.844 1.00 0.00 O ATOM 731 CB LEU A 45 -32.623 20.027 0.550 1.00 0.00 C ATOM 732 CG LEU A 45 -34.151 19.959 0.422 1.00 0.00 C ATOM 733 CD1 LEU A 45 -34.675 21.099 -0.438 1.00 0.00 C ATOM 734 CD2 LEU A 45 -34.578 18.615 -0.151 1.00 0.00 C ATOM 0 H LEU A 45 -30.200 20.335 1.296 1.00 0.00 H new ATOM 0 HA LEU A 45 -32.370 22.153 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -32.190 19.958 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -32.284 19.152 1.106 1.00 0.00 H new ATOM 0 HG LEU A 45 -34.581 20.063 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -35.760 21.029 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -34.404 22.052 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -34.237 21.034 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -35.664 18.584 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -34.134 18.482 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -34.242 17.815 0.509 1.00 0.00 H new ATOM 746 N GLU A 46 -31.901 20.916 3.634 1.00 0.00 N ATOM 747 CA GLU A 46 -32.357 20.975 5.018 1.00 0.00 C ATOM 748 C GLU A 46 -32.184 22.386 5.587 1.00 0.00 C ATOM 749 O GLU A 46 -33.029 22.859 6.351 1.00 0.00 O ATOM 750 CB GLU A 46 -31.638 19.927 5.901 1.00 0.00 C ATOM 751 CG GLU A 46 -32.183 19.848 7.320 1.00 0.00 C ATOM 752 CD GLU A 46 -31.422 18.873 8.189 1.00 0.00 C ATOM 753 OE1 GLU A 46 -31.474 17.656 7.914 1.00 0.00 O ATOM 754 OE2 GLU A 46 -30.775 19.318 9.165 1.00 0.00 O1- ATOM 0 H GLU A 46 -31.001 20.454 3.502 1.00 0.00 H new ATOM 0 HA GLU A 46 -33.419 20.732 5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -31.726 18.947 5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -30.575 20.166 5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -32.145 20.838 7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -33.232 19.554 7.285 1.00 0.00 H new ATOM 761 N ASP A 47 -31.102 23.070 5.188 1.00 0.00 N ATOM 762 CA ASP A 47 -30.846 24.436 5.665 1.00 0.00 C ATOM 763 C ASP A 47 -31.827 25.410 5.053 1.00 0.00 C ATOM 764 O ASP A 47 -32.162 26.433 5.655 1.00 0.00 O ATOM 765 CB ASP A 47 -29.405 24.903 5.363 1.00 0.00 C ATOM 766 CG ASP A 47 -28.365 24.222 6.220 1.00 0.00 C ATOM 767 OD1 ASP A 47 -28.396 24.398 7.453 1.00 0.00 O ATOM 768 OD2 ASP A 47 -27.495 23.528 5.663 1.00 0.00 O1- ATOM 0 H ASP A 47 -30.399 22.706 4.545 1.00 0.00 H new ATOM 0 HA ASP A 47 -30.974 24.416 6.747 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -29.182 24.714 4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -29.341 25.981 5.513 1.00 0.00 H new ATOM 773 N LYS A 48 -32.298 25.090 3.860 1.00 0.00 N ATOM 774 CA LYS A 48 -33.231 25.961 3.171 1.00 0.00 C ATOM 775 C LYS A 48 -34.650 25.703 3.643 1.00 0.00 C ATOM 776 O LYS A 48 -35.401 26.639 3.896 1.00 0.00 O ATOM 777 CB LYS A 48 -33.135 25.797 1.646 1.00 0.00 C ATOM 778 CG LYS A 48 -33.977 26.805 0.882 1.00 0.00 C ATOM 779 CD LYS A 48 -33.772 26.692 -0.616 1.00 0.00 C ATOM 780 CE LYS A 48 -34.556 27.763 -1.360 1.00 0.00 C ATOM 781 NZ LYS A 48 -34.152 29.137 -0.953 1.00 0.00 N1+ ATOM 0 H LYS A 48 -32.052 24.240 3.353 1.00 0.00 H new ATOM 0 HA LYS A 48 -32.962 26.989 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -32.093 25.898 1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -33.451 24.790 1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -35.030 26.651 1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -33.722 27.813 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -32.711 26.786 -0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -34.087 25.705 -0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -34.404 27.644 -2.433 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -35.621 27.628 -1.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -34.527 29.826 -1.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -34.532 29.345 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -33.114 29.201 -0.930 1.00 0.00 H new ATOM 795 N LEU A 49 -34.997 24.426 3.797 1.00 0.00 N ATOM 796 CA LEU A 49 -36.349 24.033 4.233 1.00 0.00 C ATOM 797 C LEU A 49 -36.647 24.568 5.636 1.00 0.00 C ATOM 798 O LEU A 49 -37.805 24.782 6.002 1.00 0.00 O ATOM 799 CB LEU A 49 -36.512 22.498 4.209 1.00 0.00 C ATOM 800 CG LEU A 49 -37.927 21.973 4.459 1.00 0.00 C ATOM 801 CD1 LEU A 49 -38.850 22.355 3.312 1.00 0.00 C ATOM 802 CD2 LEU A 49 -37.910 20.464 4.653 1.00 0.00 C ATOM 0 H LEU A 49 -34.366 23.642 3.628 1.00 0.00 H new ATOM 0 HA LEU A 49 -37.062 24.470 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -36.175 22.131 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -35.848 22.070 4.960 1.00 0.00 H new ATOM 0 HG LEU A 49 -38.307 22.432 5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -39.852 21.973 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -38.887 23.441 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -38.473 21.926 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -38.925 20.108 4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -37.509 19.987 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -37.284 20.214 5.510 1.00 0.00 H new ATOM 814 N ALA A 50 -35.594 24.785 6.414 1.00 0.00 N ATOM 815 CA ALA A 50 -35.740 25.309 7.768 1.00 0.00 C ATOM 816 C ALA A 50 -35.852 26.829 7.755 1.00 0.00 C ATOM 817 O ALA A 50 -36.308 27.436 8.723 1.00 0.00 O ATOM 818 CB ALA A 50 -34.579 24.866 8.655 1.00 0.00 C ATOM 0 H ALA A 50 -34.630 24.607 6.132 1.00 0.00 H new ATOM 0 HA ALA A 50 -36.661 24.902 8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -34.713 25.270 9.658 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -34.553 23.777 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -33.642 25.234 8.238 1.00 0.00 H new ATOM 824 N ASP A 51 -35.433 27.440 6.658 1.00 0.00 N ATOM 825 CA ASP A 51 -35.511 28.895 6.523 1.00 0.00 C ATOM 826 C ASP A 51 -36.854 29.298 5.933 1.00 0.00 C ATOM 827 O ASP A 51 -37.561 30.139 6.489 1.00 0.00 O ATOM 828 CB ASP A 51 -34.354 29.448 5.664 1.00 0.00 C ATOM 829 CG ASP A 51 -34.415 30.958 5.502 1.00 0.00 C ATOM 830 OD1 ASP A 51 -34.287 31.678 6.519 1.00 0.00 O ATOM 831 OD2 ASP A 51 -34.569 31.436 4.354 1.00 0.00 O1- ATOM 0 H ASP A 51 -35.037 26.959 5.850 1.00 0.00 H new ATOM 0 HA ASP A 51 -35.418 29.329 7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -33.404 29.174 6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -34.381 28.980 4.680 1.00 0.00 H new