USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 540 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 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= 0.904 (180deg=0.39) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= -0.0497 (180deg=-0.327) USER MOD Single : A 73 LYS NZ :NH3+ -136:sc= 1.2 (180deg=0.859) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 1.715 -15.505 5.200 1.00 0.00 N ATOM 19 CA ARG A 2 2.520 -14.306 5.400 1.00 0.00 C ATOM 20 C ARG A 2 1.829 -13.087 4.798 1.00 0.00 C ATOM 21 O ARG A 2 1.310 -13.146 3.684 1.00 0.00 O ATOM 22 CB ARG A 2 3.909 -14.479 4.777 1.00 0.00 C ATOM 23 CG ARG A 2 4.786 -15.497 5.492 1.00 0.00 C ATOM 24 CD ARG A 2 4.181 -16.892 5.459 1.00 0.00 C ATOM 25 NE ARG A 2 5.079 -17.892 6.032 1.00 0.00 N ATOM 26 CZ ARG A 2 6.250 -18.234 5.496 1.00 0.00 C ATOM 27 NH1 ARG A 2 6.646 -17.697 4.349 1.00 0.00 N ATOM 28 NH2 ARG A 2 7.020 -19.126 6.102 1.00 0.00 N ATOM 0 HA ARG A 2 2.633 -14.151 6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.794 -14.781 3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.417 -13.515 4.775 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.771 -15.518 5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.930 -15.188 6.527 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.240 -16.892 6.009 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.948 -17.162 4.429 1.00 0.00 H new ATOM 0 HE ARG A 2 4.792 -18.356 6.894 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.053 -17.018 3.872 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.544 -17.963 3.944 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.716 -19.550 6.978 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.916 -19.388 5.692 1.00 0.00 H new ATOM 42 N VAL A 3 1.827 -11.983 5.537 1.00 0.00 N ATOM 43 CA VAL A 3 1.201 -10.754 5.065 1.00 0.00 C ATOM 44 C VAL A 3 2.209 -9.609 5.013 1.00 0.00 C ATOM 45 O VAL A 3 2.938 -9.367 5.974 1.00 0.00 O ATOM 46 CB VAL A 3 0.010 -10.343 5.960 1.00 0.00 C ATOM 47 CG1 VAL A 3 0.471 -10.049 7.380 1.00 0.00 C ATOM 48 CG2 VAL A 3 -0.717 -9.144 5.367 1.00 0.00 C ATOM 0 H VAL A 3 2.250 -11.914 6.462 1.00 0.00 H new ATOM 0 HA VAL A 3 0.832 -10.954 4.059 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.688 -11.180 6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.386 -9.762 7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.935 -10.940 7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.195 -9.234 7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.552 -8.870 6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.028 -8.303 5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.092 -9.400 4.376 1.00 0.00 H new ATOM 58 N GLY A 4 2.237 -8.901 3.890 1.00 0.00 N ATOM 59 CA GLY A 4 3.151 -7.785 3.746 1.00 0.00 C ATOM 60 C GLY A 4 2.555 -6.494 4.268 1.00 0.00 C ATOM 61 O GLY A 4 1.541 -6.020 3.754 1.00 0.00 O ATOM 0 H GLY A 4 1.645 -9.079 3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.075 -8.001 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.414 -7.664 2.695 1.00 0.00 H new ATOM 65 N ALA A 5 3.179 -5.923 5.291 1.00 0.00 N ATOM 66 CA ALA A 5 2.694 -4.680 5.880 1.00 0.00 C ATOM 67 C ALA A 5 3.443 -3.476 5.322 1.00 0.00 C ATOM 68 O ALA A 5 4.671 -3.478 5.240 1.00 0.00 O ATOM 69 CB ALA A 5 2.826 -4.729 7.394 1.00 0.00 C ATOM 0 H ALA A 5 4.020 -6.299 5.729 1.00 0.00 H new ATOM 0 HA ALA A 5 1.641 -4.571 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.461 -3.795 7.821 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.239 -5.561 7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.873 -4.866 7.664 1.00 0.00 H new ATOM 75 N LEU A 6 2.694 -2.446 4.944 1.00 0.00 N ATOM 76 CA LEU A 6 3.287 -1.230 4.399 1.00 0.00 C ATOM 77 C LEU A 6 2.861 -0.007 5.204 1.00 0.00 C ATOM 78 O LEU A 6 1.701 0.124 5.592 1.00 0.00 O ATOM 79 CB LEU A 6 2.896 -1.052 2.929 1.00 0.00 C ATOM 80 CG LEU A 6 3.519 -2.062 1.962 1.00 0.00 C ATOM 81 CD1 LEU A 6 2.991 -1.844 0.553 1.00 0.00 C ATOM 82 CD2 LEU A 6 5.038 -1.956 1.985 1.00 0.00 C ATOM 0 H LEU A 6 1.676 -2.429 5.005 1.00 0.00 H new ATOM 0 HA LEU A 6 4.371 -1.327 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.811 -1.117 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.180 -0.048 2.613 1.00 0.00 H new ATOM 0 HG LEU A 6 3.239 -3.065 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.444 -2.570 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.908 -1.969 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.242 -0.836 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.464 -2.681 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.337 -0.951 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.402 -2.160 2.992 1.00 0.00 H new ATOM 94 N ASP A 7 3.814 0.886 5.446 1.00 0.00 N ATOM 95 CA ASP A 7 3.554 2.105 6.202 1.00 0.00 C ATOM 96 C ASP A 7 4.398 3.250 5.656 1.00 0.00 C ATOM 97 O ASP A 7 5.529 3.038 5.229 1.00 0.00 O ATOM 98 CB ASP A 7 3.857 1.891 7.686 1.00 0.00 C ATOM 99 CG ASP A 7 5.310 1.541 7.937 1.00 0.00 C ATOM 100 OD1 ASP A 7 6.186 2.363 7.595 1.00 0.00 O ATOM 101 OD2 ASP A 7 5.573 0.444 8.474 1.00 0.00 O ATOM 0 H ASP A 7 4.778 0.787 5.128 1.00 0.00 H new ATOM 0 HA ASP A 7 2.499 2.360 6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.604 2.795 8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.223 1.093 8.072 1.00 0.00 H new ATOM 106 N VAL A 8 3.843 4.456 5.662 1.00 0.00 N ATOM 107 CA VAL A 8 4.557 5.624 5.151 1.00 0.00 C ATOM 108 C VAL A 8 4.626 6.738 6.192 1.00 0.00 C ATOM 109 O VAL A 8 3.666 6.977 6.925 1.00 0.00 O ATOM 110 CB VAL A 8 3.896 6.167 3.869 1.00 0.00 C ATOM 111 CG1 VAL A 8 2.477 6.638 4.152 1.00 0.00 C ATOM 112 CG2 VAL A 8 4.731 7.288 3.268 1.00 0.00 C ATOM 0 H VAL A 8 2.906 4.652 6.013 1.00 0.00 H new ATOM 0 HA VAL A 8 5.570 5.295 4.919 1.00 0.00 H new ATOM 0 HB VAL A 8 3.843 5.357 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.029 7.017 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.884 5.803 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.499 7.431 4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.247 7.658 2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.822 8.101 3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.723 6.910 3.020 1.00 0.00 H new ATOM 122 N GLY A 9 5.769 7.416 6.249 1.00 0.00 N ATOM 123 CA GLY A 9 5.944 8.496 7.202 1.00 0.00 C ATOM 124 C GLY A 9 7.206 9.302 6.951 1.00 0.00 C ATOM 125 O GLY A 9 8.281 8.739 6.742 1.00 0.00 O ATOM 0 H GLY A 9 6.576 7.236 5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.080 9.159 7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.976 8.083 8.210 1.00 0.00 H new ATOM 129 N GLU A 10 7.069 10.626 6.976 1.00 0.00 N ATOM 130 CA GLU A 10 8.194 11.533 6.755 1.00 0.00 C ATOM 131 C GLU A 10 8.725 11.427 5.335 1.00 0.00 C ATOM 132 O GLU A 10 8.591 12.362 4.545 1.00 0.00 O ATOM 133 CB GLU A 10 9.316 11.251 7.757 1.00 0.00 C ATOM 134 CG GLU A 10 8.887 11.384 9.210 1.00 0.00 C ATOM 135 CD GLU A 10 8.405 12.780 9.553 1.00 0.00 C ATOM 136 OE1 GLU A 10 7.409 13.231 8.950 1.00 0.00 O ATOM 137 OE2 GLU A 10 9.025 13.425 10.426 1.00 0.00 O ATOM 0 H GLU A 10 6.182 11.098 7.149 1.00 0.00 H new ATOM 0 HA GLU A 10 7.830 12.550 6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.695 10.243 7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.141 11.937 7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.091 10.668 9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.725 11.124 9.857 1.00 0.00 H new ATOM 144 N ALA A 11 9.323 10.293 5.005 1.00 0.00 N ATOM 145 CA ALA A 11 9.859 10.093 3.670 1.00 0.00 C ATOM 146 C ALA A 11 10.414 8.683 3.500 1.00 0.00 C ATOM 147 O ALA A 11 11.420 8.478 2.819 1.00 0.00 O ATOM 148 CB ALA A 11 10.937 11.123 3.372 1.00 0.00 C ATOM 0 H ALA A 11 9.448 9.503 5.638 1.00 0.00 H new ATOM 0 HA ALA A 11 9.042 10.220 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.329 10.960 2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.511 12.124 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.745 11.024 4.097 1.00 0.00 H new ATOM 154 N ARG A 12 9.753 7.713 4.119 1.00 0.00 N ATOM 155 CA ARG A 12 10.184 6.323 4.040 1.00 0.00 C ATOM 156 C ARG A 12 9.018 5.378 4.308 1.00 0.00 C ATOM 157 O ARG A 12 8.154 5.662 5.136 1.00 0.00 O ATOM 158 CB ARG A 12 11.308 6.054 5.045 1.00 0.00 C ATOM 159 CG ARG A 12 12.550 6.901 4.814 1.00 0.00 C ATOM 160 CD ARG A 12 13.635 6.582 5.830 1.00 0.00 C ATOM 161 NE ARG A 12 13.198 6.842 7.199 1.00 0.00 N ATOM 162 CZ ARG A 12 13.963 6.654 8.272 1.00 0.00 C ATOM 163 NH1 ARG A 12 15.204 6.204 8.138 1.00 0.00 N ATOM 164 NH2 ARG A 12 13.486 6.916 9.481 1.00 0.00 N ATOM 0 H ARG A 12 8.916 7.863 4.682 1.00 0.00 H new ATOM 0 HA ARG A 12 10.556 6.143 3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.935 6.239 6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.583 5.000 4.996 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.929 6.726 3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.289 7.957 4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.924 5.535 5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.521 7.179 5.613 1.00 0.00 H new ATOM 0 HE ARG A 12 12.249 7.189 7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.575 6.001 7.210 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.787 6.061 8.963 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.532 7.262 9.589 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.073 6.772 10.303 1.00 0.00 H new ATOM 178 N ILE A 13 9.004 4.252 3.605 1.00 0.00 N ATOM 179 CA ILE A 13 7.949 3.263 3.770 1.00 0.00 C ATOM 180 C ILE A 13 8.450 2.069 4.579 1.00 0.00 C ATOM 181 O ILE A 13 9.508 1.519 4.287 1.00 0.00 O ATOM 182 CB ILE A 13 7.419 2.773 2.408 1.00 0.00 C ATOM 183 CG1 ILE A 13 6.927 3.959 1.574 1.00 0.00 C ATOM 184 CG2 ILE A 13 6.301 1.758 2.603 1.00 0.00 C ATOM 185 CD1 ILE A 13 6.394 3.563 0.215 1.00 0.00 C ATOM 0 H ILE A 13 9.712 4.002 2.915 1.00 0.00 H new ATOM 0 HA ILE A 13 7.133 3.747 4.307 1.00 0.00 H new ATOM 0 HB ILE A 13 8.234 2.285 1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.144 4.480 2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.747 4.665 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.940 1.424 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.679 0.903 3.163 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.482 2.220 3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.063 4.453 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.181 3.069 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.553 2.881 0.339 1.00 0.00 H new ATOM 197 N GLY A 14 7.691 1.678 5.597 1.00 0.00 N ATOM 198 CA GLY A 14 8.084 0.554 6.433 1.00 0.00 C ATOM 199 C GLY A 14 7.699 -0.790 5.840 1.00 0.00 C ATOM 200 O GLY A 14 6.598 -0.950 5.311 1.00 0.00 O ATOM 0 H GLY A 14 6.809 2.119 5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.163 0.582 6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.620 0.658 7.414 1.00 0.00 H new ATOM 204 N LEU A 15 8.608 -1.761 5.935 1.00 0.00 N ATOM 205 CA LEU A 15 8.360 -3.104 5.412 1.00 0.00 C ATOM 206 C LEU A 15 8.326 -4.140 6.530 1.00 0.00 C ATOM 207 O LEU A 15 9.201 -4.164 7.396 1.00 0.00 O ATOM 208 CB LEU A 15 9.433 -3.494 4.395 1.00 0.00 C ATOM 209 CG LEU A 15 9.369 -2.749 3.065 1.00 0.00 C ATOM 210 CD1 LEU A 15 10.452 -3.252 2.123 1.00 0.00 C ATOM 211 CD2 LEU A 15 7.991 -2.907 2.437 1.00 0.00 C ATOM 0 H LEU A 15 9.523 -1.642 6.370 1.00 0.00 H new ATOM 0 HA LEU A 15 7.386 -3.085 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.413 -3.324 4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.353 -4.563 4.198 1.00 0.00 H new ATOM 0 HG LEU A 15 9.543 -1.689 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.393 -2.711 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.431 -3.089 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.309 -4.317 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.960 -2.370 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.790 -3.964 2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.236 -2.500 3.109 1.00 0.00 H new ATOM 223 N ALA A 16 7.310 -4.996 6.502 1.00 0.00 N ATOM 224 CA ALA A 16 7.153 -6.037 7.509 1.00 0.00 C ATOM 225 C ALA A 16 6.352 -7.213 6.961 1.00 0.00 C ATOM 226 O ALA A 16 5.439 -7.032 6.156 1.00 0.00 O ATOM 227 CB ALA A 16 6.484 -5.473 8.752 1.00 0.00 C ATOM 0 H ALA A 16 6.580 -4.988 5.789 1.00 0.00 H new ATOM 0 HA ALA A 16 8.145 -6.400 7.778 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.373 -6.262 9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.097 -4.671 9.163 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.501 -5.081 8.490 1.00 0.00 H new ATOM 233 N VAL A 17 6.700 -8.419 7.401 1.00 0.00 N ATOM 234 CA VAL A 17 6.010 -9.623 6.951 1.00 0.00 C ATOM 235 C VAL A 17 5.741 -10.571 8.117 1.00 0.00 C ATOM 236 O VAL A 17 6.658 -10.949 8.849 1.00 0.00 O ATOM 237 CB VAL A 17 6.820 -10.369 5.870 1.00 0.00 C ATOM 238 CG1 VAL A 17 6.079 -11.614 5.403 1.00 0.00 C ATOM 239 CG2 VAL A 17 7.118 -9.450 4.693 1.00 0.00 C ATOM 0 H VAL A 17 7.454 -8.588 8.067 1.00 0.00 H new ATOM 0 HA VAL A 17 5.061 -9.301 6.522 1.00 0.00 H new ATOM 0 HB VAL A 17 7.767 -10.681 6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.669 -12.124 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.923 -12.283 6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.114 -11.328 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.690 -9.995 3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.182 -9.104 4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.696 -8.593 5.038 1.00 0.00 H new ATOM 249 N GLY A 18 4.478 -10.948 8.281 1.00 0.00 N ATOM 250 CA GLY A 18 4.102 -11.849 9.355 1.00 0.00 C ATOM 251 C GLY A 18 2.614 -12.139 9.363 1.00 0.00 C ATOM 252 O GLY A 18 1.967 -12.134 8.317 1.00 0.00 O ATOM 0 H GLY A 18 3.706 -10.645 7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.652 -12.784 9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.391 -11.413 10.311 1.00 0.00 H new ATOM 370 N ARG A 28 11.550 -5.972 8.138 1.00 0.00 N ATOM 371 CA ARG A 28 11.986 -6.457 6.831 1.00 0.00 C ATOM 372 C ARG A 28 12.878 -5.429 6.140 1.00 0.00 C ATOM 373 O ARG A 28 13.970 -5.755 5.676 1.00 0.00 O ATOM 374 CB ARG A 28 10.775 -6.760 5.943 1.00 0.00 C ATOM 375 CG ARG A 28 9.915 -7.924 6.421 1.00 0.00 C ATOM 376 CD ARG A 28 10.573 -9.270 6.144 1.00 0.00 C ATOM 377 NE ARG A 28 11.723 -9.520 7.009 1.00 0.00 N ATOM 378 CZ ARG A 28 12.521 -10.581 6.890 1.00 0.00 C ATOM 379 NH1 ARG A 28 12.309 -11.475 5.932 1.00 0.00 N ATOM 380 NH2 ARG A 28 13.534 -10.745 7.729 1.00 0.00 N ATOM 0 HA ARG A 28 12.558 -7.372 6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.153 -5.867 5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.126 -6.975 4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.731 -7.824 7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.945 -7.886 5.926 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.839 -10.064 6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.891 -9.307 5.102 1.00 0.00 H new ATOM 0 HE ARG A 28 11.927 -8.845 7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.532 -11.352 5.282 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.923 -12.285 5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.703 -10.059 8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.145 -11.557 7.638 1.00 0.00 H new ATOM 394 N GLY A 29 12.405 -4.190 6.078 1.00 0.00 N ATOM 395 CA GLY A 29 13.174 -3.135 5.444 1.00 0.00 C ATOM 396 C GLY A 29 12.408 -1.831 5.365 1.00 0.00 C ATOM 397 O GLY A 29 11.711 -1.455 6.308 1.00 0.00 O ATOM 0 H GLY A 29 11.504 -3.897 6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.098 -2.978 6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.457 -3.449 4.439 1.00 0.00 H new ATOM 401 N TYR A 30 12.531 -1.138 4.235 1.00 0.00 N ATOM 402 CA TYR A 30 11.840 0.132 4.041 1.00 0.00 C ATOM 403 C TYR A 30 12.140 0.722 2.667 1.00 0.00 C ATOM 404 O TYR A 30 13.258 0.612 2.164 1.00 0.00 O ATOM 405 CB TYR A 30 12.229 1.127 5.140 1.00 0.00 C ATOM 406 CG TYR A 30 13.715 1.406 5.216 1.00 0.00 C ATOM 407 CD1 TYR A 30 14.372 2.074 4.189 1.00 0.00 C ATOM 408 CD2 TYR A 30 14.458 1.007 6.320 1.00 0.00 C ATOM 409 CE1 TYR A 30 15.729 2.333 4.260 1.00 0.00 C ATOM 410 CE2 TYR A 30 15.814 1.263 6.398 1.00 0.00 C ATOM 411 CZ TYR A 30 16.444 1.925 5.367 1.00 0.00 C ATOM 412 OH TYR A 30 17.795 2.181 5.441 1.00 0.00 O ATOM 0 H TYR A 30 13.101 -1.434 3.443 1.00 0.00 H new ATOM 0 HA TYR A 30 10.769 -0.060 4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 30 11.701 2.065 4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 30 11.892 0.741 6.102 1.00 0.00 H new ATOM 0 HD1 TYR A 30 13.814 2.396 3.322 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.968 0.488 7.131 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.226 2.852 3.453 1.00 0.00 H new ATOM 0 HE2 TYR A 30 16.377 0.946 7.263 1.00 0.00 H new ATOM 0 HH TYR A 30 18.149 1.830 6.285 1.00 0.00 H new ATOM 422 N LEU A 31 11.133 1.349 2.062 1.00 0.00 N ATOM 423 CA LEU A 31 11.293 1.959 0.746 1.00 0.00 C ATOM 424 C LEU A 31 11.212 3.479 0.834 1.00 0.00 C ATOM 425 O LEU A 31 10.249 4.025 1.373 1.00 0.00 O ATOM 426 CB LEU A 31 10.215 1.460 -0.222 1.00 0.00 C ATOM 427 CG LEU A 31 10.065 -0.058 -0.327 1.00 0.00 C ATOM 428 CD1 LEU A 31 9.476 -0.626 0.953 1.00 0.00 C ATOM 429 CD2 LEU A 31 9.198 -0.427 -1.521 1.00 0.00 C ATOM 0 H LEU A 31 10.200 1.447 2.462 1.00 0.00 H new ATOM 0 HA LEU A 31 12.276 1.672 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.257 1.880 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.434 1.854 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 31 11.055 -0.491 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.377 -1.707 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.133 -0.393 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.495 -0.185 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.102 -1.511 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.210 0.019 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.659 -0.053 -2.435 1.00 0.00 H new ATOM 441 N VAL A 32 12.207 4.159 0.278 1.00 0.00 N ATOM 442 CA VAL A 32 12.217 5.617 0.273 1.00 0.00 C ATOM 443 C VAL A 32 11.144 6.130 -0.678 1.00 0.00 C ATOM 444 O VAL A 32 10.899 5.524 -1.718 1.00 0.00 O ATOM 445 CB VAL A 32 13.590 6.173 -0.155 1.00 0.00 C ATOM 446 CG1 VAL A 32 13.593 7.694 -0.105 1.00 0.00 C ATOM 447 CG2 VAL A 32 14.694 5.602 0.722 1.00 0.00 C ATOM 0 H VAL A 32 13.014 3.727 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 32 12.015 5.959 1.288 1.00 0.00 H new ATOM 0 HB VAL A 32 13.779 5.867 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 32 14.571 8.066 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.830 8.082 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.380 8.025 0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.656 6.006 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.511 5.875 1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.708 4.516 0.629 1.00 0.00 H new ATOM 457 N ARG A 33 10.491 7.233 -0.324 1.00 0.00 N ATOM 458 CA ARG A 33 9.435 7.788 -1.171 1.00 0.00 C ATOM 459 C ARG A 33 9.893 7.946 -2.619 1.00 0.00 C ATOM 460 O ARG A 33 11.028 8.341 -2.886 1.00 0.00 O ATOM 461 CB ARG A 33 8.953 9.136 -0.632 1.00 0.00 C ATOM 462 CG ARG A 33 8.194 9.033 0.682 1.00 0.00 C ATOM 463 CD ARG A 33 7.571 10.364 1.068 1.00 0.00 C ATOM 464 NE ARG A 33 6.810 10.271 2.311 1.00 0.00 N ATOM 465 CZ ARG A 33 6.161 11.295 2.862 1.00 0.00 C ATOM 466 NH1 ARG A 33 6.176 12.488 2.281 1.00 0.00 N ATOM 467 NH2 ARG A 33 5.495 11.125 3.995 1.00 0.00 N ATOM 0 H ARG A 33 10.670 7.757 0.533 1.00 0.00 H new ATOM 0 HA ARG A 33 8.607 7.079 -1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.813 9.791 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.311 9.606 -1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.414 8.276 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.871 8.704 1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.355 11.113 1.178 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.916 10.704 0.266 1.00 0.00 H new ATOM 0 HE ARG A 33 6.773 9.369 2.785 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.686 12.624 1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.677 13.269 2.707 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.479 10.210 4.445 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.998 11.909 4.417 1.00 0.00 H new ATOM 481 N LYS A 34 8.991 7.635 -3.547 1.00 0.00 N ATOM 482 CA LYS A 34 9.277 7.738 -4.975 1.00 0.00 C ATOM 483 C LYS A 34 8.066 8.330 -5.701 1.00 0.00 C ATOM 484 O LYS A 34 7.412 9.232 -5.179 1.00 0.00 O ATOM 485 CB LYS A 34 9.618 6.357 -5.544 1.00 0.00 C ATOM 486 CG LYS A 34 10.674 5.605 -4.755 1.00 0.00 C ATOM 487 CD LYS A 34 10.908 4.219 -5.329 1.00 0.00 C ATOM 488 CE LYS A 34 11.893 3.426 -4.489 1.00 0.00 C ATOM 489 NZ LYS A 34 11.434 3.282 -3.080 1.00 0.00 N ATOM 0 H LYS A 34 8.049 7.307 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 34 10.134 8.395 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.709 5.756 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.962 6.474 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.608 6.167 -4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.363 5.522 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.961 3.682 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.285 4.305 -6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.031 2.438 -4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.864 3.921 -4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.951 2.503 -2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.615 4.167 -2.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.415 3.075 -3.066 1.00 0.00 H new ATOM 503 N THR A 35 7.754 7.821 -6.895 1.00 0.00 N ATOM 504 CA THR A 35 6.608 8.313 -7.647 1.00 0.00 C ATOM 505 C THR A 35 5.470 7.287 -7.599 1.00 0.00 C ATOM 506 O THR A 35 5.440 6.439 -6.708 1.00 0.00 O ATOM 507 CB THR A 35 6.985 8.619 -9.110 1.00 0.00 C ATOM 508 OG1 THR A 35 8.334 9.094 -9.176 1.00 0.00 O ATOM 509 CG2 THR A 35 6.057 9.673 -9.695 1.00 0.00 C ATOM 0 H THR A 35 8.276 7.075 -7.355 1.00 0.00 H new ATOM 0 HA THR A 35 6.276 9.243 -7.185 1.00 0.00 H new ATOM 0 HB THR A 35 6.887 7.699 -9.687 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.568 9.285 -10.108 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.340 9.874 -10.728 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.030 9.310 -9.665 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.135 10.591 -9.112 1.00 0.00 H new ATOM 517 N LEU A 36 4.539 7.354 -8.546 1.00 0.00 N ATOM 518 CA LEU A 36 3.423 6.415 -8.569 1.00 0.00 C ATOM 519 C LEU A 36 3.858 5.056 -9.110 1.00 0.00 C ATOM 520 O LEU A 36 3.580 4.023 -8.504 1.00 0.00 O ATOM 521 CB LEU A 36 2.249 6.964 -9.394 1.00 0.00 C ATOM 522 CG LEU A 36 2.475 7.084 -10.908 1.00 0.00 C ATOM 523 CD1 LEU A 36 1.159 7.377 -11.614 1.00 0.00 C ATOM 524 CD2 LEU A 36 3.489 8.174 -11.225 1.00 0.00 C ATOM 0 H LEU A 36 4.534 8.041 -9.300 1.00 0.00 H new ATOM 0 HA LEU A 36 3.087 6.285 -7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.385 6.321 -9.228 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.992 7.950 -9.008 1.00 0.00 H new ATOM 0 HG LEU A 36 2.871 6.134 -11.267 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.332 7.460 -12.687 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.455 6.568 -11.422 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.746 8.314 -11.240 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.630 8.237 -12.304 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.124 9.130 -10.850 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.440 7.936 -10.748 1.00 0.00 H new ATOM 536 N GLU A 37 4.535 5.065 -10.253 1.00 0.00 N ATOM 537 CA GLU A 37 5.002 3.833 -10.882 1.00 0.00 C ATOM 538 C GLU A 37 6.142 3.195 -10.091 1.00 0.00 C ATOM 539 O GLU A 37 6.201 1.975 -9.947 1.00 0.00 O ATOM 540 CB GLU A 37 5.450 4.109 -12.318 1.00 0.00 C ATOM 541 CG GLU A 37 6.549 5.154 -12.425 1.00 0.00 C ATOM 542 CD GLU A 37 6.989 5.393 -13.855 1.00 0.00 C ATOM 543 OE1 GLU A 37 7.457 4.432 -14.501 1.00 0.00 O ATOM 544 OE2 GLU A 37 6.866 6.541 -14.330 1.00 0.00 O ATOM 0 H GLU A 37 4.774 5.914 -10.765 1.00 0.00 H new ATOM 0 HA GLU A 37 4.169 3.131 -10.893 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.801 3.179 -12.765 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.590 4.438 -12.901 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.196 6.092 -11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.407 4.835 -11.833 1.00 0.00 H new ATOM 551 N GLU A 38 7.048 4.025 -9.586 1.00 0.00 N ATOM 552 CA GLU A 38 8.194 3.535 -8.814 1.00 0.00 C ATOM 553 C GLU A 38 7.721 2.685 -7.649 1.00 0.00 C ATOM 554 O GLU A 38 8.108 1.525 -7.504 1.00 0.00 O ATOM 555 CB GLU A 38 9.011 4.700 -8.255 1.00 0.00 C ATOM 556 CG GLU A 38 9.157 5.861 -9.210 1.00 0.00 C ATOM 557 CD GLU A 38 9.898 5.487 -10.480 1.00 0.00 C ATOM 558 OE1 GLU A 38 9.450 4.551 -11.175 1.00 0.00 O ATOM 559 OE2 GLU A 38 10.926 6.130 -10.779 1.00 0.00 O ATOM 0 H GLU A 38 7.015 5.039 -9.695 1.00 0.00 H new ATOM 0 HA GLU A 38 8.813 2.941 -9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.540 5.054 -7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.003 4.338 -7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.168 6.239 -9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.687 6.672 -8.711 1.00 0.00 H new ATOM 566 N ASP A 39 6.884 3.287 -6.815 1.00 0.00 N ATOM 567 CA ASP A 39 6.348 2.603 -5.639 1.00 0.00 C ATOM 568 C ASP A 39 5.733 1.251 -6.001 1.00 0.00 C ATOM 569 O ASP A 39 5.965 0.254 -5.317 1.00 0.00 O ATOM 570 CB ASP A 39 5.312 3.479 -4.935 1.00 0.00 C ATOM 571 CG ASP A 39 5.942 4.654 -4.213 1.00 0.00 C ATOM 572 OD1 ASP A 39 6.644 5.449 -4.870 1.00 0.00 O ATOM 573 OD2 ASP A 39 5.732 4.780 -2.988 1.00 0.00 O ATOM 0 H ASP A 39 6.560 4.247 -6.928 1.00 0.00 H new ATOM 0 HA ASP A 39 7.182 2.420 -4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.595 3.849 -5.668 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.754 2.874 -4.220 1.00 0.00 H new ATOM 578 N VAL A 40 4.949 1.218 -7.076 1.00 0.00 N ATOM 579 CA VAL A 40 4.310 -0.024 -7.510 1.00 0.00 C ATOM 580 C VAL A 40 5.359 -1.071 -7.840 1.00 0.00 C ATOM 581 O VAL A 40 5.363 -2.171 -7.289 1.00 0.00 O ATOM 582 CB VAL A 40 3.446 0.177 -8.771 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.491 -0.990 -8.966 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.699 1.495 -8.715 1.00 0.00 C ATOM 0 H VAL A 40 4.741 2.029 -7.659 1.00 0.00 H new ATOM 0 HA VAL A 40 3.676 -0.348 -6.685 1.00 0.00 H new ATOM 0 HB VAL A 40 4.111 0.211 -9.634 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.893 -0.825 -9.862 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.061 -1.912 -9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.834 -1.071 -8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.098 1.611 -9.617 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.048 1.508 -7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.413 2.315 -8.647 1.00 0.00 H new ATOM 594 N GLU A 41 6.250 -0.708 -8.755 1.00 0.00 N ATOM 595 CA GLU A 41 7.323 -1.599 -9.185 1.00 0.00 C ATOM 596 C GLU A 41 8.122 -2.113 -7.992 1.00 0.00 C ATOM 597 O GLU A 41 8.416 -3.304 -7.895 1.00 0.00 O ATOM 598 CB GLU A 41 8.254 -0.880 -10.164 1.00 0.00 C ATOM 599 CG GLU A 41 7.566 -0.441 -11.447 1.00 0.00 C ATOM 600 CD GLU A 41 8.507 0.279 -12.394 1.00 0.00 C ATOM 601 OE1 GLU A 41 9.056 1.328 -11.999 1.00 0.00 O ATOM 602 OE2 GLU A 41 8.694 -0.208 -13.529 1.00 0.00 O ATOM 0 H GLU A 41 6.251 0.202 -9.216 1.00 0.00 H new ATOM 0 HA GLU A 41 6.867 -2.452 -9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.679 -0.005 -9.672 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.084 -1.540 -10.414 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.149 -1.314 -11.949 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.731 0.215 -11.201 1.00 0.00 H new ATOM 609 N ALA A 42 8.467 -1.208 -7.081 1.00 0.00 N ATOM 610 CA ALA A 42 9.226 -1.576 -5.894 1.00 0.00 C ATOM 611 C ALA A 42 8.458 -2.589 -5.054 1.00 0.00 C ATOM 612 O ALA A 42 9.009 -3.602 -4.623 1.00 0.00 O ATOM 613 CB ALA A 42 9.551 -0.339 -5.071 1.00 0.00 C ATOM 0 H ALA A 42 8.233 -0.217 -7.143 1.00 0.00 H new ATOM 0 HA ALA A 42 10.160 -2.038 -6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.119 -0.629 -4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.143 0.352 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.625 0.148 -4.764 1.00 0.00 H new ATOM 619 N LEU A 43 7.178 -2.308 -4.830 1.00 0.00 N ATOM 620 CA LEU A 43 6.324 -3.194 -4.048 1.00 0.00 C ATOM 621 C LEU A 43 6.123 -4.524 -4.758 1.00 0.00 C ATOM 622 O LEU A 43 6.224 -5.586 -4.143 1.00 0.00 O ATOM 623 CB LEU A 43 4.972 -2.533 -3.783 1.00 0.00 C ATOM 624 CG LEU A 43 5.011 -1.333 -2.838 1.00 0.00 C ATOM 625 CD1 LEU A 43 3.663 -0.630 -2.813 1.00 0.00 C ATOM 626 CD2 LEU A 43 5.404 -1.780 -1.438 1.00 0.00 C ATOM 0 H LEU A 43 6.709 -1.472 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 43 6.819 -3.384 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.549 -2.212 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.295 -3.280 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 43 5.758 -0.628 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.710 0.222 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.415 -0.282 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.896 -1.325 -2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.428 -0.916 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.675 -2.502 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.390 -2.243 -1.467 1.00 0.00 H new ATOM 638 N LEU A 44 5.849 -4.467 -6.056 1.00 0.00 N ATOM 639 CA LEU A 44 5.649 -5.679 -6.836 1.00 0.00 C ATOM 640 C LEU A 44 6.885 -6.557 -6.781 1.00 0.00 C ATOM 641 O LEU A 44 6.818 -7.710 -6.358 1.00 0.00 O ATOM 642 CB LEU A 44 5.314 -5.342 -8.287 1.00 0.00 C ATOM 643 CG LEU A 44 3.861 -4.950 -8.535 1.00 0.00 C ATOM 644 CD1 LEU A 44 3.637 -4.645 -10.008 1.00 0.00 C ATOM 645 CD2 LEU A 44 2.939 -6.066 -8.067 1.00 0.00 C ATOM 0 H LEU A 44 5.761 -3.600 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 44 4.810 -6.223 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.957 -4.524 -8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.554 -6.204 -8.910 1.00 0.00 H new ATOM 0 HG LEU A 44 3.634 -4.048 -7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.595 -4.367 -10.168 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.283 -3.821 -10.311 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.872 -5.528 -10.602 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.902 -5.781 -8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.165 -6.979 -8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.089 -6.239 -7.001 1.00 0.00 H new ATOM 657 N ASP A 45 8.016 -5.997 -7.199 1.00 0.00 N ATOM 658 CA ASP A 45 9.281 -6.722 -7.193 1.00 0.00 C ATOM 659 C ASP A 45 9.453 -7.492 -5.893 1.00 0.00 C ATOM 660 O ASP A 45 9.885 -8.639 -5.902 1.00 0.00 O ATOM 661 CB ASP A 45 10.448 -5.752 -7.387 1.00 0.00 C ATOM 662 CG ASP A 45 11.790 -6.458 -7.432 1.00 0.00 C ATOM 663 OD1 ASP A 45 11.813 -7.702 -7.324 1.00 0.00 O ATOM 664 OD2 ASP A 45 12.820 -5.766 -7.578 1.00 0.00 O ATOM 0 H ASP A 45 8.082 -5.040 -7.547 1.00 0.00 H new ATOM 0 HA ASP A 45 9.272 -7.434 -8.018 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.303 -5.195 -8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.451 -5.025 -6.575 1.00 0.00 H new ATOM 669 N PHE A 46 9.099 -6.857 -4.781 1.00 0.00 N ATOM 670 CA PHE A 46 9.210 -7.491 -3.474 1.00 0.00 C ATOM 671 C PHE A 46 8.165 -8.592 -3.305 1.00 0.00 C ATOM 672 O PHE A 46 8.458 -9.661 -2.777 1.00 0.00 O ATOM 673 CB PHE A 46 9.049 -6.448 -2.366 1.00 0.00 C ATOM 674 CG PHE A 46 9.126 -7.021 -0.978 1.00 0.00 C ATOM 675 CD1 PHE A 46 10.092 -7.959 -0.653 1.00 0.00 C ATOM 676 CD2 PHE A 46 8.231 -6.619 0.001 1.00 0.00 C ATOM 677 CE1 PHE A 46 10.163 -8.488 0.621 1.00 0.00 C ATOM 678 CE2 PHE A 46 8.297 -7.145 1.277 1.00 0.00 C ATOM 679 CZ PHE A 46 9.266 -8.080 1.588 1.00 0.00 C ATOM 0 H PHE A 46 8.733 -5.905 -4.759 1.00 0.00 H new ATOM 0 HA PHE A 46 10.199 -7.943 -3.403 1.00 0.00 H new ATOM 0 HB2 PHE A 46 9.823 -5.689 -2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 46 8.089 -5.946 -2.489 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.798 -8.280 -1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.474 -5.887 -0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.920 -9.220 0.861 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.592 -6.826 2.030 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.321 -8.491 2.585 1.00 0.00 H new ATOM 689 N VAL A 47 6.943 -8.312 -3.746 1.00 0.00 N ATOM 690 CA VAL A 47 5.842 -9.265 -3.630 1.00 0.00 C ATOM 691 C VAL A 47 6.041 -10.503 -4.510 1.00 0.00 C ATOM 692 O VAL A 47 5.797 -11.627 -4.069 1.00 0.00 O ATOM 693 CB VAL A 47 4.499 -8.593 -3.990 1.00 0.00 C ATOM 694 CG1 VAL A 47 3.344 -9.581 -3.897 1.00 0.00 C ATOM 695 CG2 VAL A 47 4.251 -7.394 -3.084 1.00 0.00 C ATOM 0 H VAL A 47 6.688 -7.429 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 47 5.826 -9.592 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 47 4.559 -8.248 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.413 -9.077 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.515 -10.406 -4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.277 -9.967 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.301 -6.929 -3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.218 -7.723 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.056 -6.670 -3.209 1.00 0.00 H new ATOM 705 N ARG A 48 6.459 -10.299 -5.757 1.00 0.00 N ATOM 706 CA ARG A 48 6.652 -11.415 -6.687 1.00 0.00 C ATOM 707 C ARG A 48 7.760 -12.375 -6.252 1.00 0.00 C ATOM 708 O ARG A 48 7.496 -13.532 -5.929 1.00 0.00 O ATOM 709 CB ARG A 48 6.955 -10.907 -8.102 1.00 0.00 C ATOM 710 CG ARG A 48 7.780 -9.629 -8.159 1.00 0.00 C ATOM 711 CD ARG A 48 8.333 -9.394 -9.556 1.00 0.00 C ATOM 712 NE ARG A 48 9.198 -10.488 -9.993 1.00 0.00 N ATOM 713 CZ ARG A 48 9.803 -10.525 -11.178 1.00 0.00 C ATOM 714 NH1 ARG A 48 9.639 -9.534 -12.046 1.00 0.00 N ATOM 715 NH2 ARG A 48 10.574 -11.557 -11.496 1.00 0.00 N ATOM 0 H ARG A 48 6.670 -9.380 -6.147 1.00 0.00 H new ATOM 0 HA ARG A 48 5.713 -11.968 -6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.484 -11.688 -8.648 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.012 -10.737 -8.622 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.163 -8.781 -7.862 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.602 -9.691 -7.445 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.507 -9.282 -10.259 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.894 -8.460 -9.571 1.00 0.00 H new ATOM 0 HE ARG A 48 9.347 -11.268 -9.353 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.047 -8.739 -11.806 1.00 0.00 H new ATOM 0 HH12 ARG A 48 10.105 -9.568 -12.953 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.703 -12.321 -10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 48 11.038 -11.586 -12.404 1.00 0.00 H new ATOM 729 N ARG A 49 8.996 -11.897 -6.276 1.00 0.00 N ATOM 730 CA ARG A 49 10.149 -12.721 -5.916 1.00 0.00 C ATOM 731 C ARG A 49 10.013 -13.316 -4.517 1.00 0.00 C ATOM 732 O ARG A 49 10.234 -14.512 -4.322 1.00 0.00 O ATOM 733 CB ARG A 49 11.426 -11.890 -6.014 1.00 0.00 C ATOM 734 CG ARG A 49 11.441 -10.704 -5.072 1.00 0.00 C ATOM 735 CD ARG A 49 12.678 -9.845 -5.283 1.00 0.00 C ATOM 736 NE ARG A 49 12.712 -8.694 -4.380 1.00 0.00 N ATOM 737 CZ ARG A 49 12.859 -8.790 -3.060 1.00 0.00 C ATOM 738 NH1 ARG A 49 13.022 -9.975 -2.486 1.00 0.00 N ATOM 739 NH2 ARG A 49 12.856 -7.695 -2.313 1.00 0.00 N ATOM 0 H ARG A 49 9.230 -10.940 -6.541 1.00 0.00 H new ATOM 0 HA ARG A 49 10.197 -13.553 -6.618 1.00 0.00 H new ATOM 0 HB2 ARG A 49 12.284 -12.527 -5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.542 -11.534 -7.038 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.546 -10.101 -5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.412 -11.056 -4.041 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.570 -10.452 -5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.704 -9.496 -6.315 1.00 0.00 H new ATOM 0 HE ARG A 49 12.617 -7.763 -4.786 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.035 -10.820 -3.056 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.134 -10.041 -1.474 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.741 -6.780 -2.749 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.968 -7.767 -1.302 1.00 0.00 H new ATOM 753 N GLU A 50 9.651 -12.486 -3.546 1.00 0.00 N ATOM 754 CA GLU A 50 9.493 -12.947 -2.170 1.00 0.00 C ATOM 755 C GLU A 50 8.340 -13.941 -2.048 1.00 0.00 C ATOM 756 O GLU A 50 8.230 -14.657 -1.053 1.00 0.00 O ATOM 757 CB GLU A 50 9.257 -11.766 -1.229 1.00 0.00 C ATOM 758 CG GLU A 50 9.208 -12.156 0.240 1.00 0.00 C ATOM 759 CD GLU A 50 10.519 -12.737 0.737 1.00 0.00 C ATOM 760 OE1 GLU A 50 11.479 -12.810 -0.059 1.00 0.00 O ATOM 761 OE2 GLU A 50 10.587 -13.116 1.926 1.00 0.00 O ATOM 0 H GLU A 50 9.462 -11.493 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 50 10.416 -13.451 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.050 -11.032 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.319 -11.280 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.955 -11.279 0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.412 -12.885 0.392 1.00 0.00 H new ATOM 768 N GLY A 51 7.481 -13.980 -3.064 1.00 0.00 N ATOM 769 CA GLY A 51 6.350 -14.888 -3.045 1.00 0.00 C ATOM 770 C GLY A 51 5.435 -14.646 -1.860 1.00 0.00 C ATOM 771 O GLY A 51 4.887 -15.587 -1.287 1.00 0.00 O ATOM 0 H GLY A 51 7.549 -13.398 -3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.782 -14.776 -3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.713 -15.915 -3.017 1.00 0.00 H new ATOM 775 N LEU A 52 5.268 -13.379 -1.496 1.00 0.00 N ATOM 776 CA LEU A 52 4.411 -13.015 -0.375 1.00 0.00 C ATOM 777 C LEU A 52 2.952 -13.292 -0.702 1.00 0.00 C ATOM 778 O LEU A 52 2.241 -13.936 0.070 1.00 0.00 O ATOM 779 CB LEU A 52 4.595 -11.539 -0.018 1.00 0.00 C ATOM 780 CG LEU A 52 6.011 -11.146 0.409 1.00 0.00 C ATOM 781 CD1 LEU A 52 6.080 -9.660 0.721 1.00 0.00 C ATOM 782 CD2 LEU A 52 6.452 -11.968 1.610 1.00 0.00 C ATOM 0 H LEU A 52 5.714 -12.588 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 52 4.698 -13.624 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.311 -10.935 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.906 -11.288 0.788 1.00 0.00 H new ATOM 0 HG LEU A 52 6.691 -11.354 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.094 -9.398 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.807 -9.089 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.389 -9.426 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.461 -11.676 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.770 -11.792 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.442 -13.026 1.350 1.00 0.00 H new ATOM 794 N GLY A 53 2.508 -12.800 -1.853 1.00 0.00 N ATOM 795 CA GLY A 53 1.134 -13.003 -2.263 1.00 0.00 C ATOM 796 C GLY A 53 0.143 -12.532 -1.218 1.00 0.00 C ATOM 797 O GLY A 53 -0.873 -13.184 -0.976 1.00 0.00 O ATOM 0 H GLY A 53 3.076 -12.264 -2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.954 -12.470 -3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.970 -14.062 -2.464 1.00 0.00 H new ATOM 801 N LYS A 54 0.441 -11.396 -0.593 1.00 0.00 N ATOM 802 CA LYS A 54 -0.428 -10.840 0.437 1.00 0.00 C ATOM 803 C LYS A 54 0.121 -9.514 0.947 1.00 0.00 C ATOM 804 O LYS A 54 1.268 -9.441 1.386 1.00 0.00 O ATOM 805 CB LYS A 54 -0.549 -11.818 1.601 1.00 0.00 C ATOM 806 CG LYS A 54 -1.595 -11.417 2.631 1.00 0.00 C ATOM 807 CD LYS A 54 -1.703 -12.447 3.742 1.00 0.00 C ATOM 808 CE LYS A 54 -2.786 -12.075 4.743 1.00 0.00 C ATOM 809 NZ LYS A 54 -4.123 -11.963 4.099 1.00 0.00 N ATOM 0 H LYS A 54 1.277 -10.844 -0.783 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.411 -10.670 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.796 -12.805 1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.419 -11.904 2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.336 -10.447 3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.563 -11.303 2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.923 -13.425 3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.745 -12.532 4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.825 -12.826 5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.531 -11.127 5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.862 -11.962 4.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.173 -11.078 3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.270 -12.771 3.460 1.00 0.00 H new ATOM 823 N LEU A 55 -0.699 -8.473 0.896 1.00 0.00 N ATOM 824 CA LEU A 55 -0.276 -7.158 1.361 1.00 0.00 C ATOM 825 C LEU A 55 -1.397 -6.444 2.110 1.00 0.00 C ATOM 826 O LEU A 55 -2.533 -6.374 1.636 1.00 0.00 O ATOM 827 CB LEU A 55 0.193 -6.296 0.184 1.00 0.00 C ATOM 828 CG LEU A 55 1.387 -6.847 -0.607 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.519 -7.244 0.329 1.00 0.00 C ATOM 830 CD2 LEU A 55 0.962 -8.026 -1.473 1.00 0.00 C ATOM 0 H LEU A 55 -1.654 -8.512 0.540 1.00 0.00 H new ATOM 0 HA LEU A 55 0.555 -7.306 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.644 -6.163 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.456 -5.308 0.562 1.00 0.00 H new ATOM 0 HG LEU A 55 1.753 -6.058 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.354 -7.632 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.846 -6.372 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.169 -8.013 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.824 -8.401 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.564 -8.818 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.194 -7.703 -2.175 1.00 0.00 H new ATOM 842 N VAL A 56 -1.063 -5.910 3.280 1.00 0.00 N ATOM 843 CA VAL A 56 -2.032 -5.191 4.097 1.00 0.00 C ATOM 844 C VAL A 56 -1.703 -3.702 4.145 1.00 0.00 C ATOM 845 O VAL A 56 -0.624 -3.308 4.590 1.00 0.00 O ATOM 846 CB VAL A 56 -2.081 -5.749 5.537 1.00 0.00 C ATOM 847 CG1 VAL A 56 -0.729 -5.604 6.218 1.00 0.00 C ATOM 848 CG2 VAL A 56 -3.170 -5.058 6.343 1.00 0.00 C ATOM 0 H VAL A 56 -0.128 -5.962 3.683 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.009 -5.331 3.634 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.320 -6.811 5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.787 -6.003 7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.024 -6.154 5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.453 -4.550 6.259 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.188 -5.465 7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.967 -3.988 6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.136 -5.225 5.867 1.00 0.00 H new ATOM 858 N VAL A 57 -2.638 -2.880 3.680 1.00 0.00 N ATOM 859 CA VAL A 57 -2.448 -1.434 3.668 1.00 0.00 C ATOM 860 C VAL A 57 -2.998 -0.798 4.939 1.00 0.00 C ATOM 861 O VAL A 57 -3.907 -1.335 5.569 1.00 0.00 O ATOM 862 CB VAL A 57 -3.123 -0.779 2.447 1.00 0.00 C ATOM 863 CG1 VAL A 57 -2.788 0.704 2.380 1.00 0.00 C ATOM 864 CG2 VAL A 57 -2.710 -1.484 1.164 1.00 0.00 C ATOM 0 H VAL A 57 -3.535 -3.190 3.306 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.373 -1.262 3.610 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.203 -0.879 2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.274 1.148 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.141 1.198 3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.709 0.830 2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.197 -1.007 0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.628 -1.420 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.008 -2.531 1.212 1.00 0.00 H new ATOM 1094 N LYS A 73 -0.089 7.513 -3.993 1.00 0.00 N ATOM 1095 CA LYS A 73 0.756 6.660 -4.822 1.00 0.00 C ATOM 1096 C LYS A 73 0.711 5.204 -4.359 1.00 0.00 C ATOM 1097 O LYS A 73 0.955 4.288 -5.145 1.00 0.00 O ATOM 1098 CB LYS A 73 2.196 7.178 -4.804 1.00 0.00 C ATOM 1099 CG LYS A 73 2.353 8.546 -5.453 1.00 0.00 C ATOM 1100 CD LYS A 73 3.765 9.086 -5.294 1.00 0.00 C ATOM 1101 CE LYS A 73 4.093 9.367 -3.836 1.00 0.00 C ATOM 1102 NZ LYS A 73 5.458 9.937 -3.671 1.00 0.00 N ATOM 0 HA LYS A 73 0.372 6.694 -5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.542 7.231 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.838 6.464 -5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.107 8.476 -6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.644 9.244 -5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.478 8.367 -5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.873 10.002 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.359 10.061 -3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.014 8.444 -3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.934 9.473 -2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.008 9.779 -4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.388 10.958 -3.487 1.00 0.00 H new ATOM 1116 N VAL A 74 0.404 4.996 -3.082 1.00 0.00 N ATOM 1117 CA VAL A 74 0.336 3.650 -2.515 1.00 0.00 C ATOM 1118 C VAL A 74 -0.855 2.849 -3.055 1.00 0.00 C ATOM 1119 O VAL A 74 -0.715 1.674 -3.397 1.00 0.00 O ATOM 1120 CB VAL A 74 0.246 3.700 -0.976 1.00 0.00 C ATOM 1121 CG1 VAL A 74 0.231 2.297 -0.387 1.00 0.00 C ATOM 1122 CG2 VAL A 74 1.398 4.513 -0.404 1.00 0.00 C ATOM 0 H VAL A 74 0.198 5.742 -2.418 1.00 0.00 H new ATOM 0 HA VAL A 74 1.255 3.148 -2.816 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.690 4.188 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.167 2.359 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.631 1.751 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.146 1.775 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.321 4.539 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.344 4.054 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.355 5.529 -0.795 1.00 0.00 H new ATOM 1132 N LEU A 75 -2.026 3.478 -3.108 1.00 0.00 N ATOM 1133 CA LEU A 75 -3.237 2.806 -3.581 1.00 0.00 C ATOM 1134 C LEU A 75 -3.023 2.149 -4.951 1.00 0.00 C ATOM 1135 O LEU A 75 -3.342 0.975 -5.132 1.00 0.00 O ATOM 1136 CB LEU A 75 -4.407 3.796 -3.636 1.00 0.00 C ATOM 1137 CG LEU A 75 -5.795 3.169 -3.818 1.00 0.00 C ATOM 1138 CD1 LEU A 75 -5.901 2.465 -5.162 1.00 0.00 C ATOM 1139 CD2 LEU A 75 -6.093 2.202 -2.681 1.00 0.00 C ATOM 0 H LEU A 75 -2.164 4.450 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.476 2.014 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.409 4.380 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.232 4.493 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.536 3.968 -3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.894 2.029 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.734 3.184 -5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.151 1.677 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.081 1.765 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.344 1.410 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.067 2.737 -1.732 1.00 0.00 H new ATOM 1151 N PRO A 76 -2.480 2.893 -5.935 1.00 0.00 N ATOM 1152 CA PRO A 76 -2.231 2.370 -7.282 1.00 0.00 C ATOM 1153 C PRO A 76 -1.683 0.944 -7.274 1.00 0.00 C ATOM 1154 O PRO A 76 -1.970 0.153 -8.173 1.00 0.00 O ATOM 1155 CB PRO A 76 -1.187 3.336 -7.834 1.00 0.00 C ATOM 1156 CG PRO A 76 -1.488 4.635 -7.170 1.00 0.00 C ATOM 1157 CD PRO A 76 -2.075 4.306 -5.819 1.00 0.00 C ATOM 0 HA PRO A 76 -3.146 2.311 -7.871 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.176 2.999 -7.606 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.258 3.419 -8.918 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.583 5.234 -7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.190 5.220 -7.765 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.344 4.447 -5.022 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.926 4.947 -5.588 1.00 0.00 H new ATOM 1165 N LEU A 77 -0.894 0.619 -6.256 1.00 0.00 N ATOM 1166 CA LEU A 77 -0.316 -0.713 -6.138 1.00 0.00 C ATOM 1167 C LEU A 77 -1.325 -1.692 -5.553 1.00 0.00 C ATOM 1168 O LEU A 77 -1.408 -2.844 -5.980 1.00 0.00 O ATOM 1169 CB LEU A 77 0.958 -0.674 -5.285 1.00 0.00 C ATOM 1170 CG LEU A 77 1.621 -2.032 -5.017 1.00 0.00 C ATOM 1171 CD1 LEU A 77 0.831 -2.826 -3.989 1.00 0.00 C ATOM 1172 CD2 LEU A 77 1.765 -2.825 -6.307 1.00 0.00 C ATOM 0 H LEU A 77 -0.641 1.258 -5.503 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.050 -1.058 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.684 -0.027 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.718 -0.212 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 77 2.617 -1.847 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.320 -3.785 -3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.786 -2.267 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.180 -2.996 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.237 -3.784 -6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.780 -2.994 -6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.381 -2.266 -7.011 1.00 0.00 H new ATOM 1184 N VAL A 78 -2.096 -1.229 -4.575 1.00 0.00 N ATOM 1185 CA VAL A 78 -3.104 -2.068 -3.937 1.00 0.00 C ATOM 1186 C VAL A 78 -4.038 -2.681 -4.976 1.00 0.00 C ATOM 1187 O VAL A 78 -4.464 -3.829 -4.842 1.00 0.00 O ATOM 1188 CB VAL A 78 -3.937 -1.266 -2.916 1.00 0.00 C ATOM 1189 CG1 VAL A 78 -4.932 -2.171 -2.204 1.00 0.00 C ATOM 1190 CG2 VAL A 78 -3.027 -0.568 -1.915 1.00 0.00 C ATOM 0 H VAL A 78 -2.042 -0.279 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.575 -2.864 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.500 -0.503 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.509 -1.585 -1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.606 -2.617 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.394 -2.960 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.632 -0.007 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.435 -1.312 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.362 0.115 -2.443 1.00 0.00 H new ATOM 1200 N GLU A 79 -4.346 -1.909 -6.012 1.00 0.00 N ATOM 1201 CA GLU A 79 -5.225 -2.379 -7.079 1.00 0.00 C ATOM 1202 C GLU A 79 -4.505 -3.389 -7.966 1.00 0.00 C ATOM 1203 O GLU A 79 -5.115 -4.331 -8.472 1.00 0.00 O ATOM 1204 CB GLU A 79 -5.737 -1.204 -7.917 1.00 0.00 C ATOM 1205 CG GLU A 79 -4.631 -0.346 -8.509 1.00 0.00 C ATOM 1206 CD GLU A 79 -5.165 0.765 -9.394 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -6.401 0.864 -9.545 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -4.344 1.536 -9.936 1.00 0.00 O ATOM 0 H GLU A 79 -4.002 -0.957 -6.137 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.081 -2.873 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.358 -1.590 -8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.377 -0.578 -7.295 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.042 0.089 -7.702 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.958 -0.977 -9.090 1.00 0.00 H new ATOM 1215 N ALA A 80 -3.203 -3.191 -8.144 1.00 0.00 N ATOM 1216 CA ALA A 80 -2.398 -4.090 -8.963 1.00 0.00 C ATOM 1217 C ALA A 80 -2.455 -5.510 -8.418 1.00 0.00 C ATOM 1218 O ALA A 80 -2.620 -6.474 -9.167 1.00 0.00 O ATOM 1219 CB ALA A 80 -0.956 -3.609 -9.014 1.00 0.00 C ATOM 0 H ALA A 80 -2.683 -2.416 -7.732 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.807 -4.090 -9.973 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.367 -4.290 -9.629 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.921 -2.608 -9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.545 -3.584 -8.005 1.00 0.00 H new ATOM 1225 N LEU A 81 -2.312 -5.627 -7.104 1.00 0.00 N ATOM 1226 CA LEU A 81 -2.337 -6.921 -6.437 1.00 0.00 C ATOM 1227 C LEU A 81 -3.673 -7.620 -6.661 1.00 0.00 C ATOM 1228 O LEU A 81 -3.719 -8.799 -7.014 1.00 0.00 O ATOM 1229 CB LEU A 81 -2.092 -6.735 -4.940 1.00 0.00 C ATOM 1230 CG LEU A 81 -0.920 -5.817 -4.588 1.00 0.00 C ATOM 1231 CD1 LEU A 81 -0.720 -5.759 -3.081 1.00 0.00 C ATOM 1232 CD2 LEU A 81 0.350 -6.277 -5.287 1.00 0.00 C ATOM 0 H LEU A 81 -2.177 -4.835 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.548 -7.544 -6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.998 -6.334 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.916 -7.713 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.153 -4.811 -4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.118 -5.101 -2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.624 -5.375 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.511 -6.760 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.172 -5.611 -5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.591 -7.293 -4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.199 -6.257 -6.366 1.00 0.00 H new ATOM 1244 N ARG A 82 -4.761 -6.882 -6.454 1.00 0.00 N ATOM 1245 CA ARG A 82 -6.101 -7.428 -6.633 1.00 0.00 C ATOM 1246 C ARG A 82 -6.288 -7.956 -8.051 1.00 0.00 C ATOM 1247 O ARG A 82 -6.910 -8.998 -8.260 1.00 0.00 O ATOM 1248 CB ARG A 82 -7.154 -6.359 -6.332 1.00 0.00 C ATOM 1249 CG ARG A 82 -7.079 -5.812 -4.917 1.00 0.00 C ATOM 1250 CD ARG A 82 -8.136 -4.748 -4.673 1.00 0.00 C ATOM 1251 NE ARG A 82 -9.489 -5.265 -4.865 1.00 0.00 N ATOM 1252 CZ ARG A 82 -10.590 -4.535 -4.710 1.00 0.00 C ATOM 1253 NH1 ARG A 82 -10.506 -3.257 -4.363 1.00 0.00 N ATOM 1254 NH2 ARG A 82 -11.782 -5.084 -4.904 1.00 0.00 N ATOM 0 H ARG A 82 -4.739 -5.905 -6.162 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.225 -8.257 -5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.036 -5.536 -7.037 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.145 -6.781 -6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.210 -6.626 -4.204 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.089 -5.390 -4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.036 -4.364 -3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -7.969 -3.910 -5.349 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.595 -6.243 -5.134 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.593 -2.828 -4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.355 -2.703 -4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.854 -6.066 -5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.627 -4.525 -4.785 1.00 0.00 H new ATOM 1268 N ALA A 83 -5.747 -7.228 -9.022 1.00 0.00 N ATOM 1269 CA ALA A 83 -5.853 -7.619 -10.423 1.00 0.00 C ATOM 1270 C ALA A 83 -5.326 -9.032 -10.647 1.00 0.00 C ATOM 1271 O ALA A 83 -5.922 -9.816 -11.385 1.00 0.00 O ATOM 1272 CB ALA A 83 -5.102 -6.629 -11.302 1.00 0.00 C ATOM 0 H ALA A 83 -5.230 -6.363 -8.864 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.908 -7.609 -10.696 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.188 -6.931 -12.346 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.529 -5.634 -11.176 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.051 -6.612 -11.015 1.00 0.00 H new ATOM 1278 N ARG A 84 -4.204 -9.354 -10.007 1.00 0.00 N ATOM 1279 CA ARG A 84 -3.605 -10.679 -10.143 1.00 0.00 C ATOM 1280 C ARG A 84 -4.168 -11.662 -9.118 1.00 0.00 C ATOM 1281 O ARG A 84 -3.541 -12.677 -8.813 1.00 0.00 O ATOM 1282 CB ARG A 84 -2.085 -10.591 -9.993 1.00 0.00 C ATOM 1283 CG ARG A 84 -1.423 -9.660 -10.997 1.00 0.00 C ATOM 1284 CD ARG A 84 0.089 -9.666 -10.845 1.00 0.00 C ATOM 1285 NE ARG A 84 0.505 -9.283 -9.498 1.00 0.00 N ATOM 1286 CZ ARG A 84 1.774 -9.239 -9.099 1.00 0.00 C ATOM 1287 NH1 ARG A 84 2.754 -9.549 -9.940 1.00 0.00 N ATOM 1288 NH2 ARG A 84 2.066 -8.887 -7.854 1.00 0.00 N ATOM 0 H ARG A 84 -3.694 -8.719 -9.393 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.853 -11.050 -11.138 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.848 -10.251 -8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.660 -11.589 -10.101 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.690 -9.965 -12.009 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.800 -8.647 -10.859 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.472 -10.660 -11.074 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.529 -8.980 -11.569 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.219 -9.035 -8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.536 -9.823 -10.898 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.724 -9.513 -9.628 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.318 -8.650 -7.202 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.039 -8.853 -7.548 1.00 0.00 H new ATOM 1302 N GLY A 85 -5.350 -11.362 -8.585 1.00 0.00 N ATOM 1303 CA GLY A 85 -5.962 -12.235 -7.602 1.00 0.00 C ATOM 1304 C GLY A 85 -5.103 -12.386 -6.367 1.00 0.00 C ATOM 1305 O GLY A 85 -5.033 -13.462 -5.773 1.00 0.00 O ATOM 0 H GLY A 85 -5.893 -10.530 -8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.936 -11.836 -7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.135 -13.216 -8.046 1.00 0.00 H new ATOM 1309 N VAL A 86 -4.451 -11.297 -5.981 1.00 0.00 N ATOM 1310 CA VAL A 86 -3.589 -11.298 -4.803 1.00 0.00 C ATOM 1311 C VAL A 86 -4.346 -10.815 -3.569 1.00 0.00 C ATOM 1312 O VAL A 86 -5.080 -9.828 -3.628 1.00 0.00 O ATOM 1313 CB VAL A 86 -2.348 -10.408 -5.016 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.426 -10.470 -3.808 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -1.611 -10.816 -6.282 1.00 0.00 C ATOM 0 H VAL A 86 -4.502 -10.401 -6.466 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.265 -12.327 -4.646 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.681 -9.377 -5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.557 -9.835 -3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.960 -10.122 -2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.099 -11.498 -3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.738 -10.177 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.291 -11.855 -6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.275 -10.709 -7.140 1.00 0.00 H new ATOM 1325 N GLU A 87 -4.164 -11.513 -2.454 1.00 0.00 N ATOM 1326 CA GLU A 87 -4.831 -11.147 -1.210 1.00 0.00 C ATOM 1327 C GLU A 87 -4.353 -9.783 -0.720 1.00 0.00 C ATOM 1328 O GLU A 87 -3.154 -9.557 -0.563 1.00 0.00 O ATOM 1329 CB GLU A 87 -4.573 -12.208 -0.137 1.00 0.00 C ATOM 1330 CG GLU A 87 -5.073 -13.591 -0.517 1.00 0.00 C ATOM 1331 CD GLU A 87 -6.565 -13.621 -0.780 1.00 0.00 C ATOM 1332 OE1 GLU A 87 -7.338 -13.290 0.144 1.00 0.00 O ATOM 1333 OE2 GLU A 87 -6.962 -13.974 -1.910 1.00 0.00 O ATOM 0 H GLU A 87 -3.562 -12.333 -2.386 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.902 -11.090 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.502 -12.260 0.061 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.054 -11.899 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.544 -13.932 -1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.835 -14.292 0.283 1.00 0.00 H new ATOM 1340 N VAL A 88 -5.298 -8.881 -0.484 1.00 0.00 N ATOM 1341 CA VAL A 88 -4.978 -7.534 -0.015 1.00 0.00 C ATOM 1342 C VAL A 88 -6.187 -6.897 0.660 1.00 0.00 C ATOM 1343 O VAL A 88 -7.327 -7.138 0.264 1.00 0.00 O ATOM 1344 CB VAL A 88 -4.516 -6.628 -1.178 1.00 0.00 C ATOM 1345 CG1 VAL A 88 -4.171 -5.232 -0.678 1.00 0.00 C ATOM 1346 CG2 VAL A 88 -3.326 -7.241 -1.897 1.00 0.00 C ATOM 0 H VAL A 88 -6.295 -9.056 -0.609 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.165 -7.629 0.704 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.342 -6.543 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.849 -4.615 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.050 -4.784 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.367 -5.296 0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.017 -6.587 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.500 -7.362 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.606 -8.215 -2.299 1.00 0.00 H new ATOM 1356 N GLU A 89 -5.932 -6.085 1.680 1.00 0.00 N ATOM 1357 CA GLU A 89 -7.013 -5.423 2.404 1.00 0.00 C ATOM 1358 C GLU A 89 -6.487 -4.311 3.306 1.00 0.00 C ATOM 1359 O GLU A 89 -5.535 -4.503 4.063 1.00 0.00 O ATOM 1360 CB GLU A 89 -7.791 -6.443 3.236 1.00 0.00 C ATOM 1361 CG GLU A 89 -6.938 -7.162 4.270 1.00 0.00 C ATOM 1362 CD GLU A 89 -7.729 -8.168 5.084 1.00 0.00 C ATOM 1363 OE1 GLU A 89 -8.948 -8.303 4.844 1.00 0.00 O ATOM 1364 OE2 GLU A 89 -7.129 -8.822 5.964 1.00 0.00 O ATOM 0 H GLU A 89 -4.996 -5.870 2.023 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.677 -4.972 1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.612 -5.936 3.743 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.236 -7.180 2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.118 -7.673 3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.492 -6.428 4.941 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.125 -3.149 3.218 1.00 0.00 N ATOM 1372 CA LEU A 90 -6.743 -1.996 4.026 1.00 0.00 C ATOM 1373 C LEU A 90 -7.149 -2.212 5.481 1.00 0.00 C ATOM 1374 O LEU A 90 -8.203 -2.783 5.761 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.394 -0.725 3.465 1.00 0.00 C ATOM 1376 CG LEU A 90 -6.926 0.593 4.088 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -7.424 1.772 3.264 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -7.411 0.715 5.526 1.00 0.00 C ATOM 0 H LEU A 90 -7.913 -2.980 2.592 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.660 -1.878 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.205 -0.686 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.473 -0.804 3.596 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.836 0.600 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.084 2.703 3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.032 1.699 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.513 1.760 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.066 1.659 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.500 0.685 5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.014 -0.112 6.115 1.00 0.00 H new