USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=4 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+ -170:sc= -0.004 (180deg=-0.152) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= -0.023 (180deg=-0.208) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 2.429 -15.590 5.953 1.00 0.00 N ATOM 19 CA ARG A 2 3.120 -14.307 5.871 1.00 0.00 C ATOM 20 C ARG A 2 2.321 -13.311 5.036 1.00 0.00 C ATOM 21 O ARG A 2 1.712 -13.676 4.032 1.00 0.00 O ATOM 22 CB ARG A 2 4.512 -14.494 5.263 1.00 0.00 C ATOM 23 CG ARG A 2 5.394 -15.453 6.047 1.00 0.00 C ATOM 24 CD ARG A 2 6.752 -15.624 5.390 1.00 0.00 C ATOM 25 NE ARG A 2 7.601 -16.560 6.123 1.00 0.00 N ATOM 26 CZ ARG A 2 8.833 -16.897 5.744 1.00 0.00 C ATOM 27 NH1 ARG A 2 9.364 -16.375 4.645 1.00 0.00 N ATOM 28 NH2 ARG A 2 9.536 -17.756 6.469 1.00 0.00 N ATOM 0 HA ARG A 2 3.220 -13.911 6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.407 -14.862 4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.007 -13.525 5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.525 -15.081 7.063 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.901 -16.422 6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.618 -15.980 4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 2 7.249 -14.656 5.328 1.00 0.00 H new ATOM 0 HE ARG A 2 7.229 -16.980 6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.828 -15.712 4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.308 -16.637 4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 2 9.134 -18.158 7.316 1.00 0.00 H new ATOM 0 HH22 ARG A 2 10.479 -18.015 6.180 1.00 0.00 H new ATOM 42 N VAL A 3 2.331 -12.049 5.457 1.00 0.00 N ATOM 43 CA VAL A 3 1.610 -11.002 4.745 1.00 0.00 C ATOM 44 C VAL A 3 2.456 -9.738 4.629 1.00 0.00 C ATOM 45 O VAL A 3 3.172 -9.373 5.561 1.00 0.00 O ATOM 46 CB VAL A 3 0.271 -10.662 5.434 1.00 0.00 C ATOM 47 CG1 VAL A 3 0.503 -10.056 6.811 1.00 0.00 C ATOM 48 CG2 VAL A 3 -0.555 -9.727 4.562 1.00 0.00 C ATOM 0 H VAL A 3 2.830 -11.729 6.287 1.00 0.00 H new ATOM 0 HA VAL A 3 1.398 -11.386 3.747 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.287 -11.589 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.457 -9.826 7.274 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.046 -10.767 7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.087 -9.141 6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.495 -9.498 5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.001 -8.804 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.761 -10.208 3.606 1.00 0.00 H new ATOM 58 N GLY A 4 2.366 -9.073 3.484 1.00 0.00 N ATOM 59 CA GLY A 4 3.126 -7.854 3.273 1.00 0.00 C ATOM 60 C GLY A 4 2.560 -6.679 4.043 1.00 0.00 C ATOM 61 O GLY A 4 1.354 -6.428 4.005 1.00 0.00 O ATOM 0 H GLY A 4 1.781 -9.355 2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.161 -8.018 3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.138 -7.616 2.209 1.00 0.00 H new ATOM 65 N ALA A 5 3.425 -5.954 4.744 1.00 0.00 N ATOM 66 CA ALA A 5 2.998 -4.797 5.524 1.00 0.00 C ATOM 67 C ALA A 5 3.723 -3.535 5.076 1.00 0.00 C ATOM 68 O ALA A 5 4.929 -3.557 4.823 1.00 0.00 O ATOM 69 CB ALA A 5 3.235 -5.047 7.007 1.00 0.00 C ATOM 0 H ALA A 5 4.426 -6.147 4.788 1.00 0.00 H new ATOM 0 HA ALA A 5 1.931 -4.649 5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.913 -4.177 7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.666 -5.921 7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.297 -5.223 7.181 1.00 0.00 H new ATOM 75 N LEU A 6 2.983 -2.436 4.967 1.00 0.00 N ATOM 76 CA LEU A 6 3.559 -1.168 4.538 1.00 0.00 C ATOM 77 C LEU A 6 3.140 -0.022 5.454 1.00 0.00 C ATOM 78 O LEU A 6 1.996 0.048 5.903 1.00 0.00 O ATOM 79 CB LEU A 6 3.143 -0.859 3.097 1.00 0.00 C ATOM 80 CG LEU A 6 3.683 -1.826 2.042 1.00 0.00 C ATOM 81 CD1 LEU A 6 3.156 -1.457 0.664 1.00 0.00 C ATOM 82 CD2 LEU A 6 5.209 -1.831 2.050 1.00 0.00 C ATOM 0 H LEU A 6 1.984 -2.399 5.170 1.00 0.00 H new ATOM 0 HA LEU A 6 4.644 -1.263 4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.054 -0.858 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.476 0.149 2.848 1.00 0.00 H new ATOM 0 HG LEU A 6 3.337 -2.830 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.550 -2.155 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.067 -1.506 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.473 -0.445 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.575 -2.525 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.577 -0.829 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.567 -2.143 3.031 1.00 0.00 H new ATOM 94 N ASP A 7 4.083 0.877 5.715 1.00 0.00 N ATOM 95 CA ASP A 7 3.839 2.037 6.567 1.00 0.00 C ATOM 96 C ASP A 7 4.653 3.221 6.066 1.00 0.00 C ATOM 97 O ASP A 7 5.812 3.064 5.697 1.00 0.00 O ATOM 98 CB ASP A 7 4.208 1.726 8.018 1.00 0.00 C ATOM 99 CG ASP A 7 5.673 1.374 8.184 1.00 0.00 C ATOM 100 OD1 ASP A 7 6.105 0.357 7.604 1.00 0.00 O ATOM 101 OD2 ASP A 7 6.387 2.117 8.890 1.00 0.00 O ATOM 0 H ASP A 7 5.032 0.824 5.345 1.00 0.00 H new ATOM 0 HA ASP A 7 2.778 2.284 6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.972 2.588 8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.596 0.898 8.375 1.00 0.00 H new ATOM 106 N VAL A 8 4.047 4.403 6.049 1.00 0.00 N ATOM 107 CA VAL A 8 4.739 5.598 5.578 1.00 0.00 C ATOM 108 C VAL A 8 5.181 6.488 6.736 1.00 0.00 C ATOM 109 O VAL A 8 4.370 6.890 7.569 1.00 0.00 O ATOM 110 CB VAL A 8 3.852 6.415 4.617 1.00 0.00 C ATOM 111 CG1 VAL A 8 2.619 6.942 5.335 1.00 0.00 C ATOM 112 CG2 VAL A 8 4.648 7.551 3.994 1.00 0.00 C ATOM 0 H VAL A 8 3.086 4.560 6.353 1.00 0.00 H new ATOM 0 HA VAL A 8 5.625 5.255 5.043 1.00 0.00 H new ATOM 0 HB VAL A 8 3.516 5.757 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.009 7.515 4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.038 6.105 5.722 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.925 7.584 6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.007 8.117 3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.018 8.209 4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.490 7.142 3.436 1.00 0.00 H new ATOM 122 N GLY A 9 6.475 6.793 6.778 1.00 0.00 N ATOM 123 CA GLY A 9 7.009 7.637 7.831 1.00 0.00 C ATOM 124 C GLY A 9 7.153 9.086 7.403 1.00 0.00 C ATOM 125 O GLY A 9 6.264 9.644 6.762 1.00 0.00 O ATOM 0 H GLY A 9 7.164 6.469 6.099 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.355 7.583 8.701 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.982 7.255 8.139 1.00 0.00 H new ATOM 129 N GLU A 10 8.282 9.695 7.762 1.00 0.00 N ATOM 130 CA GLU A 10 8.549 11.088 7.417 1.00 0.00 C ATOM 131 C GLU A 10 8.797 11.246 5.918 1.00 0.00 C ATOM 132 O GLU A 10 8.300 12.184 5.294 1.00 0.00 O ATOM 133 CB GLU A 10 9.757 11.605 8.201 1.00 0.00 C ATOM 134 CG GLU A 10 11.036 10.829 7.928 1.00 0.00 C ATOM 135 CD GLU A 10 12.218 11.361 8.714 1.00 0.00 C ATOM 136 OE1 GLU A 10 12.153 11.356 9.961 1.00 0.00 O ATOM 137 OE2 GLU A 10 13.209 11.784 8.082 1.00 0.00 O ATOM 0 H GLU A 10 9.027 9.244 8.293 1.00 0.00 H new ATOM 0 HA GLU A 10 7.670 11.675 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.918 12.654 7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.535 11.559 9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.881 9.780 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.263 10.873 6.863 1.00 0.00 H new ATOM 144 N ALA A 11 9.566 10.324 5.349 1.00 0.00 N ATOM 145 CA ALA A 11 9.882 10.362 3.927 1.00 0.00 C ATOM 146 C ALA A 11 10.311 8.986 3.428 1.00 0.00 C ATOM 147 O ALA A 11 11.232 8.858 2.621 1.00 0.00 O ATOM 148 CB ALA A 11 10.971 11.389 3.653 1.00 0.00 C ATOM 0 H ALA A 11 9.982 9.540 5.852 1.00 0.00 H new ATOM 0 HA ALA A 11 8.982 10.654 3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.196 11.405 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.628 12.375 3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.870 11.123 4.209 1.00 0.00 H new ATOM 154 N ARG A 12 9.627 7.958 3.915 1.00 0.00 N ATOM 155 CA ARG A 12 9.923 6.587 3.529 1.00 0.00 C ATOM 156 C ARG A 12 8.817 5.643 3.982 1.00 0.00 C ATOM 157 O ARG A 12 7.894 6.049 4.688 1.00 0.00 O ATOM 158 CB ARG A 12 11.272 6.148 4.109 1.00 0.00 C ATOM 159 CG ARG A 12 11.469 6.501 5.578 1.00 0.00 C ATOM 160 CD ARG A 12 10.432 5.836 6.471 1.00 0.00 C ATOM 161 NE ARG A 12 10.696 6.079 7.888 1.00 0.00 N ATOM 162 CZ ARG A 12 9.932 5.614 8.874 1.00 0.00 C ATOM 163 NH1 ARG A 12 8.858 4.883 8.604 1.00 0.00 N ATOM 164 NH2 ARG A 12 10.244 5.883 10.135 1.00 0.00 N ATOM 0 H ARG A 12 8.860 8.050 4.581 1.00 0.00 H new ATOM 0 HA ARG A 12 9.980 6.545 2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.371 5.069 3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.071 6.607 3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.467 6.196 5.893 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.413 7.583 5.701 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.440 6.211 6.217 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.425 4.763 6.282 1.00 0.00 H new ATOM 0 HE ARG A 12 11.513 6.637 8.136 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.613 4.674 7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.277 4.530 9.364 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.068 6.445 10.348 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.660 5.528 10.892 1.00 0.00 H new ATOM 178 N ILE A 13 8.909 4.385 3.569 1.00 0.00 N ATOM 179 CA ILE A 13 7.909 3.393 3.933 1.00 0.00 C ATOM 180 C ILE A 13 8.561 2.169 4.571 1.00 0.00 C ATOM 181 O ILE A 13 9.565 1.659 4.072 1.00 0.00 O ATOM 182 CB ILE A 13 7.082 2.956 2.706 1.00 0.00 C ATOM 183 CG1 ILE A 13 6.448 4.178 2.036 1.00 0.00 C ATOM 184 CG2 ILE A 13 6.009 1.952 3.109 1.00 0.00 C ATOM 185 CD1 ILE A 13 5.614 3.836 0.819 1.00 0.00 C ATOM 0 H ILE A 13 9.665 4.030 2.983 1.00 0.00 H new ATOM 0 HA ILE A 13 7.241 3.859 4.658 1.00 0.00 H new ATOM 0 HB ILE A 13 7.749 2.472 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.821 4.696 2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.236 4.871 1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.438 1.657 2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.480 1.072 3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.341 2.407 3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.196 4.749 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.241 3.345 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.804 3.167 1.109 1.00 0.00 H new ATOM 197 N GLY A 14 7.990 1.705 5.678 1.00 0.00 N ATOM 198 CA GLY A 14 8.537 0.548 6.363 1.00 0.00 C ATOM 199 C GLY A 14 8.010 -0.765 5.821 1.00 0.00 C ATOM 200 O GLY A 14 6.805 -0.925 5.623 1.00 0.00 O ATOM 0 H GLY A 14 7.160 2.108 6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.623 0.561 6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.302 0.617 7.425 1.00 0.00 H new ATOM 204 N LEU A 15 8.914 -1.710 5.590 1.00 0.00 N ATOM 205 CA LEU A 15 8.535 -3.024 5.082 1.00 0.00 C ATOM 206 C LEU A 15 8.450 -4.033 6.220 1.00 0.00 C ATOM 207 O LEU A 15 9.356 -4.122 7.047 1.00 0.00 O ATOM 208 CB LEU A 15 9.543 -3.507 4.036 1.00 0.00 C ATOM 209 CG LEU A 15 9.642 -2.642 2.780 1.00 0.00 C ATOM 210 CD1 LEU A 15 10.647 -3.234 1.805 1.00 0.00 C ATOM 211 CD2 LEU A 15 8.274 -2.498 2.125 1.00 0.00 C ATOM 0 H LEU A 15 9.915 -1.591 5.746 1.00 0.00 H new ATOM 0 HA LEU A 15 7.555 -2.936 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.528 -3.559 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.277 -4.521 3.739 1.00 0.00 H new ATOM 0 HG LEU A 15 9.990 -1.650 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.705 -2.606 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.627 -3.284 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.330 -4.237 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.362 -1.879 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.897 -3.483 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.583 -2.029 2.825 1.00 0.00 H new ATOM 223 N ALA A 16 7.359 -4.787 6.265 1.00 0.00 N ATOM 224 CA ALA A 16 7.163 -5.782 7.312 1.00 0.00 C ATOM 225 C ALA A 16 6.416 -6.999 6.778 1.00 0.00 C ATOM 226 O ALA A 16 5.528 -6.873 5.935 1.00 0.00 O ATOM 227 CB ALA A 16 6.413 -5.169 8.486 1.00 0.00 C ATOM 0 H ALA A 16 6.597 -4.729 5.590 1.00 0.00 H new ATOM 0 HA ALA A 16 8.143 -6.114 7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.273 -5.922 9.261 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.988 -4.335 8.890 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.441 -4.810 8.149 1.00 0.00 H new ATOM 233 N VAL A 17 6.785 -8.177 7.272 1.00 0.00 N ATOM 234 CA VAL A 17 6.149 -9.414 6.838 1.00 0.00 C ATOM 235 C VAL A 17 5.838 -10.320 8.026 1.00 0.00 C ATOM 236 O VAL A 17 6.725 -10.672 8.803 1.00 0.00 O ATOM 237 CB VAL A 17 7.040 -10.178 5.839 1.00 0.00 C ATOM 238 CG1 VAL A 17 6.345 -11.440 5.350 1.00 0.00 C ATOM 239 CG2 VAL A 17 7.417 -9.282 4.668 1.00 0.00 C ATOM 0 H VAL A 17 7.518 -8.300 7.970 1.00 0.00 H new ATOM 0 HA VAL A 17 5.217 -9.138 6.346 1.00 0.00 H new ATOM 0 HB VAL A 17 7.954 -10.474 6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.993 -11.963 4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.132 -12.090 6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.412 -11.173 4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.046 -9.838 3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.513 -8.953 4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.962 -8.413 5.036 1.00 0.00 H new ATOM 249 N GLY A 18 4.568 -10.691 8.156 1.00 0.00 N ATOM 250 CA GLY A 18 4.150 -11.554 9.245 1.00 0.00 C ATOM 251 C GLY A 18 2.664 -11.844 9.209 1.00 0.00 C ATOM 252 O GLY A 18 2.057 -11.875 8.137 1.00 0.00 O ATOM 0 H GLY A 18 3.819 -10.408 7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.703 -12.492 9.195 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.404 -11.085 10.196 1.00 0.00 H new ATOM 370 N ARG A 28 10.925 -5.520 8.410 1.00 0.00 N ATOM 371 CA ARG A 28 11.667 -6.415 7.531 1.00 0.00 C ATOM 372 C ARG A 28 12.650 -5.619 6.679 1.00 0.00 C ATOM 373 O ARG A 28 13.768 -6.061 6.420 1.00 0.00 O ATOM 374 CB ARG A 28 10.703 -7.196 6.635 1.00 0.00 C ATOM 375 CG ARG A 28 11.395 -8.190 5.716 1.00 0.00 C ATOM 376 CD ARG A 28 12.180 -9.225 6.505 1.00 0.00 C ATOM 377 NE ARG A 28 12.842 -10.192 5.632 1.00 0.00 N ATOM 378 CZ ARG A 28 13.589 -11.202 6.076 1.00 0.00 C ATOM 379 NH1 ARG A 28 13.771 -11.379 7.378 1.00 0.00 N ATOM 380 NH2 ARG A 28 14.153 -12.036 5.214 1.00 0.00 N ATOM 0 HA ARG A 28 12.226 -7.123 8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.989 -7.730 7.262 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.131 -6.492 6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.652 -8.691 5.095 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.067 -7.658 5.043 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.926 -8.722 7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.508 -9.750 7.184 1.00 0.00 H new ATOM 0 HE ARG A 28 12.725 -10.088 4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.338 -10.740 8.045 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.344 -12.154 7.712 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.015 -11.904 4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.725 -12.810 5.553 1.00 0.00 H new ATOM 394 N GLY A 29 12.217 -4.436 6.254 1.00 0.00 N ATOM 395 CA GLY A 29 13.056 -3.574 5.442 1.00 0.00 C ATOM 396 C GLY A 29 12.549 -2.145 5.418 1.00 0.00 C ATOM 397 O GLY A 29 11.871 -1.711 6.348 1.00 0.00 O ATOM 0 H GLY A 29 11.293 -4.057 6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.075 -3.591 5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.096 -3.962 4.424 1.00 0.00 H new ATOM 401 N TYR A 30 12.870 -1.410 4.356 1.00 0.00 N ATOM 402 CA TYR A 30 12.436 -0.021 4.228 1.00 0.00 C ATOM 403 C TYR A 30 12.514 0.449 2.777 1.00 0.00 C ATOM 404 O TYR A 30 13.504 0.202 2.088 1.00 0.00 O ATOM 405 CB TYR A 30 13.296 0.906 5.099 1.00 0.00 C ATOM 406 CG TYR A 30 13.291 0.572 6.575 1.00 0.00 C ATOM 407 CD1 TYR A 30 14.139 -0.401 7.092 1.00 0.00 C ATOM 408 CD2 TYR A 30 12.451 1.243 7.454 1.00 0.00 C ATOM 409 CE1 TYR A 30 14.144 -0.699 8.442 1.00 0.00 C ATOM 410 CE2 TYR A 30 12.452 0.952 8.806 1.00 0.00 C ATOM 411 CZ TYR A 30 13.299 -0.020 9.294 1.00 0.00 C ATOM 412 OH TYR A 30 13.303 -0.313 10.639 1.00 0.00 O ATOM 0 H TYR A 30 13.428 -1.752 3.573 1.00 0.00 H new ATOM 0 HA TYR A 30 11.400 0.024 4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.323 0.873 4.736 1.00 0.00 H new ATOM 0 HB3 TYR A 30 12.946 1.930 4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 30 14.805 -0.933 6.428 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.786 2.005 7.075 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.807 -1.460 8.827 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.793 1.484 9.476 1.00 0.00 H new ATOM 0 HH TYR A 30 12.651 0.255 11.100 1.00 0.00 H new ATOM 422 N LEU A 31 11.471 1.142 2.325 1.00 0.00 N ATOM 423 CA LEU A 31 11.429 1.663 0.963 1.00 0.00 C ATOM 424 C LEU A 31 11.251 3.179 0.986 1.00 0.00 C ATOM 425 O LEU A 31 10.278 3.688 1.541 1.00 0.00 O ATOM 426 CB LEU A 31 10.281 1.023 0.175 1.00 0.00 C ATOM 427 CG LEU A 31 10.308 -0.503 0.102 1.00 0.00 C ATOM 428 CD1 LEU A 31 9.098 -1.021 -0.665 1.00 0.00 C ATOM 429 CD2 LEU A 31 11.597 -0.982 -0.549 1.00 0.00 C ATOM 0 H LEU A 31 10.644 1.355 2.883 1.00 0.00 H new ATOM 0 HA LEU A 31 12.371 1.417 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.337 1.332 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.295 1.419 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 31 10.267 -0.898 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.133 -2.110 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.185 -0.707 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.109 -0.618 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.600 -2.071 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.667 -0.578 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.450 -0.641 0.038 1.00 0.00 H new ATOM 441 N VAL A 32 12.186 3.896 0.375 1.00 0.00 N ATOM 442 CA VAL A 32 12.117 5.352 0.324 1.00 0.00 C ATOM 443 C VAL A 32 10.938 5.801 -0.530 1.00 0.00 C ATOM 444 O VAL A 32 10.593 5.142 -1.508 1.00 0.00 O ATOM 445 CB VAL A 32 13.415 5.959 -0.243 1.00 0.00 C ATOM 446 CG1 VAL A 32 13.351 7.479 -0.227 1.00 0.00 C ATOM 447 CG2 VAL A 32 14.621 5.459 0.537 1.00 0.00 C ATOM 0 H VAL A 32 13.000 3.495 -0.091 1.00 0.00 H new ATOM 0 HA VAL A 32 11.985 5.706 1.346 1.00 0.00 H new ATOM 0 HB VAL A 32 13.521 5.638 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 32 14.278 7.886 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.511 7.814 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.219 7.827 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.529 5.897 0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.523 5.748 1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.677 4.373 0.464 1.00 0.00 H new ATOM 457 N ARG A 33 10.315 6.920 -0.161 1.00 0.00 N ATOM 458 CA ARG A 33 9.171 7.432 -0.913 1.00 0.00 C ATOM 459 C ARG A 33 9.499 7.566 -2.397 1.00 0.00 C ATOM 460 O ARG A 33 10.636 7.852 -2.772 1.00 0.00 O ATOM 461 CB ARG A 33 8.714 8.783 -0.361 1.00 0.00 C ATOM 462 CG ARG A 33 8.030 8.689 0.992 1.00 0.00 C ATOM 463 CD ARG A 33 7.537 10.050 1.458 1.00 0.00 C ATOM 464 NE ARG A 33 6.867 9.978 2.754 1.00 0.00 N ATOM 465 CZ ARG A 33 6.324 11.030 3.366 1.00 0.00 C ATOM 466 NH1 ARG A 33 6.372 12.231 2.804 1.00 0.00 N ATOM 467 NH2 ARG A 33 5.733 10.878 4.544 1.00 0.00 N ATOM 0 H ARG A 33 10.580 7.484 0.646 1.00 0.00 H new ATOM 0 HA ARG A 33 8.361 6.712 -0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.578 9.442 -0.277 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.030 9.244 -1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.190 7.997 0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.725 8.281 1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.380 10.737 1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.850 10.459 0.717 1.00 0.00 H new ATOM 0 HE ARG A 33 6.812 9.071 3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.826 12.353 1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.955 13.032 3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.695 9.957 4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.317 11.682 5.013 1.00 0.00 H new ATOM 481 N LYS A 34 8.488 7.355 -3.233 1.00 0.00 N ATOM 482 CA LYS A 34 8.651 7.446 -4.678 1.00 0.00 C ATOM 483 C LYS A 34 7.355 7.946 -5.324 1.00 0.00 C ATOM 484 O LYS A 34 6.846 9.001 -4.946 1.00 0.00 O ATOM 485 CB LYS A 34 9.067 6.082 -5.241 1.00 0.00 C ATOM 486 CG LYS A 34 10.348 5.541 -4.628 1.00 0.00 C ATOM 487 CD LYS A 34 10.681 4.154 -5.153 1.00 0.00 C ATOM 488 CE LYS A 34 11.907 3.577 -4.463 1.00 0.00 C ATOM 489 NZ LYS A 34 13.111 4.427 -4.666 1.00 0.00 N ATOM 0 H LYS A 34 7.543 7.119 -2.932 1.00 0.00 H new ATOM 0 HA LYS A 34 9.438 8.163 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.262 5.367 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.197 6.167 -6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.172 6.220 -4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.245 5.505 -3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.830 3.491 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.856 4.203 -6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.709 3.477 -3.396 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.101 2.575 -4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.954 3.920 -4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.218 4.642 -5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.004 5.314 -4.133 1.00 0.00 H new ATOM 503 N THR A 35 6.817 7.203 -6.291 1.00 0.00 N ATOM 504 CA THR A 35 5.585 7.614 -6.953 1.00 0.00 C ATOM 505 C THR A 35 4.726 6.417 -7.341 1.00 0.00 C ATOM 506 O THR A 35 5.229 5.408 -7.825 1.00 0.00 O ATOM 507 CB THR A 35 5.874 8.462 -8.202 1.00 0.00 C ATOM 508 OG1 THR A 35 6.756 7.758 -9.084 1.00 0.00 O ATOM 509 CG2 THR A 35 6.490 9.794 -7.809 1.00 0.00 C ATOM 0 H THR A 35 7.211 6.325 -6.628 1.00 0.00 H new ATOM 0 HA THR A 35 5.034 8.220 -6.233 1.00 0.00 H new ATOM 0 HB THR A 35 4.932 8.650 -8.717 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.932 8.306 -9.877 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.688 10.382 -8.705 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.800 10.338 -7.164 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.424 9.619 -7.276 1.00 0.00 H new ATOM 517 N LEU A 36 3.426 6.549 -7.084 1.00 0.00 N ATOM 518 CA LEU A 36 2.432 5.504 -7.355 1.00 0.00 C ATOM 519 C LEU A 36 2.911 4.437 -8.345 1.00 0.00 C ATOM 520 O LEU A 36 2.859 3.250 -8.037 1.00 0.00 O ATOM 521 CB LEU A 36 1.128 6.133 -7.864 1.00 0.00 C ATOM 522 CG LEU A 36 1.231 6.924 -9.173 1.00 0.00 C ATOM 523 CD1 LEU A 36 -0.131 7.473 -9.567 1.00 0.00 C ATOM 524 CD2 LEU A 36 2.240 8.057 -9.046 1.00 0.00 C ATOM 0 H LEU A 36 3.025 7.394 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 36 2.264 4.995 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.393 5.339 -7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.742 6.797 -7.091 1.00 0.00 H new ATOM 0 HG LEU A 36 1.576 6.246 -9.953 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.042 8.032 -10.498 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.830 6.648 -9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.499 8.133 -8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.295 8.603 -9.988 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.928 8.735 -8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.221 7.646 -8.808 1.00 0.00 H new ATOM 536 N GLU A 37 3.369 4.852 -9.525 1.00 0.00 N ATOM 537 CA GLU A 37 3.835 3.903 -10.534 1.00 0.00 C ATOM 538 C GLU A 37 5.169 3.281 -10.137 1.00 0.00 C ATOM 539 O GLU A 37 5.338 2.060 -10.177 1.00 0.00 O ATOM 540 CB GLU A 37 3.961 4.592 -11.896 1.00 0.00 C ATOM 541 CG GLU A 37 4.933 5.761 -11.906 1.00 0.00 C ATOM 542 CD GLU A 37 4.988 6.461 -13.250 1.00 0.00 C ATOM 543 OE1 GLU A 37 5.338 5.800 -14.250 1.00 0.00 O ATOM 544 OE2 GLU A 37 4.681 7.672 -13.300 1.00 0.00 O ATOM 0 H GLU A 37 3.427 5.831 -9.804 1.00 0.00 H new ATOM 0 HA GLU A 37 3.097 3.104 -10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.282 3.858 -12.635 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.978 4.947 -12.205 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.641 6.478 -11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.929 5.403 -11.646 1.00 0.00 H new ATOM 551 N GLU A 38 6.113 4.125 -9.746 1.00 0.00 N ATOM 552 CA GLU A 38 7.428 3.659 -9.336 1.00 0.00 C ATOM 553 C GLU A 38 7.315 2.731 -8.129 1.00 0.00 C ATOM 554 O GLU A 38 7.882 1.638 -8.118 1.00 0.00 O ATOM 555 CB GLU A 38 8.328 4.852 -9.011 1.00 0.00 C ATOM 556 CG GLU A 38 9.673 4.455 -8.434 1.00 0.00 C ATOM 557 CD GLU A 38 10.605 5.638 -8.250 1.00 0.00 C ATOM 558 OE1 GLU A 38 10.183 6.778 -8.536 1.00 0.00 O ATOM 559 OE2 GLU A 38 11.759 5.424 -7.821 1.00 0.00 O ATOM 0 H GLU A 38 5.992 5.137 -9.704 1.00 0.00 H new ATOM 0 HA GLU A 38 7.872 3.098 -10.158 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.488 5.434 -9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.815 5.502 -8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.521 3.965 -7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.145 3.725 -9.092 1.00 0.00 H new ATOM 566 N ASP A 39 6.573 3.172 -7.120 1.00 0.00 N ATOM 567 CA ASP A 39 6.371 2.382 -5.908 1.00 0.00 C ATOM 568 C ASP A 39 5.944 0.956 -6.247 1.00 0.00 C ATOM 569 O ASP A 39 6.393 0.000 -5.615 1.00 0.00 O ATOM 570 CB ASP A 39 5.318 3.038 -5.012 1.00 0.00 C ATOM 571 CG ASP A 39 5.763 4.389 -4.490 1.00 0.00 C ATOM 572 OD1 ASP A 39 6.766 4.438 -3.747 1.00 0.00 O ATOM 573 OD2 ASP A 39 5.110 5.398 -4.825 1.00 0.00 O ATOM 0 H ASP A 39 6.099 4.075 -7.116 1.00 0.00 H new ATOM 0 HA ASP A 39 7.321 2.341 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.391 3.156 -5.573 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.100 2.380 -4.170 1.00 0.00 H new ATOM 578 N VAL A 40 5.080 0.817 -7.251 1.00 0.00 N ATOM 579 CA VAL A 40 4.607 -0.504 -7.667 1.00 0.00 C ATOM 580 C VAL A 40 5.790 -1.389 -8.017 1.00 0.00 C ATOM 581 O VAL A 40 5.888 -2.531 -7.573 1.00 0.00 O ATOM 582 CB VAL A 40 3.687 -0.437 -8.901 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.847 -1.696 -9.017 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.813 0.798 -8.864 1.00 0.00 C ATOM 0 H VAL A 40 4.696 1.594 -7.788 1.00 0.00 H new ATOM 0 HA VAL A 40 4.041 -0.911 -6.829 1.00 0.00 H new ATOM 0 HB VAL A 40 4.318 -0.370 -9.787 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.205 -1.626 -9.895 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.501 -2.562 -9.114 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.230 -1.805 -8.125 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.175 0.819 -9.747 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.192 0.778 -7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.442 1.688 -8.850 1.00 0.00 H new ATOM 594 N GLU A 41 6.688 -0.841 -8.826 1.00 0.00 N ATOM 595 CA GLU A 41 7.882 -1.568 -9.254 1.00 0.00 C ATOM 596 C GLU A 41 8.645 -2.135 -8.057 1.00 0.00 C ATOM 597 O GLU A 41 9.024 -3.306 -8.051 1.00 0.00 O ATOM 598 CB GLU A 41 8.806 -0.658 -10.072 1.00 0.00 C ATOM 599 CG GLU A 41 8.337 -0.412 -11.501 1.00 0.00 C ATOM 600 CD GLU A 41 6.971 0.240 -11.579 1.00 0.00 C ATOM 601 OE1 GLU A 41 5.977 -0.411 -11.196 1.00 0.00 O ATOM 602 OE2 GLU A 41 6.895 1.405 -12.024 1.00 0.00 O ATOM 0 H GLU A 41 6.614 0.105 -9.200 1.00 0.00 H new ATOM 0 HA GLU A 41 7.553 -2.398 -9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.898 0.301 -9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.802 -1.101 -10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.064 0.221 -12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.310 -1.361 -12.036 1.00 0.00 H new ATOM 609 N ALA A 42 8.866 -1.300 -7.044 1.00 0.00 N ATOM 610 CA ALA A 42 9.583 -1.726 -5.846 1.00 0.00 C ATOM 611 C ALA A 42 8.763 -2.734 -5.044 1.00 0.00 C ATOM 612 O ALA A 42 9.284 -3.751 -4.586 1.00 0.00 O ATOM 613 CB ALA A 42 9.932 -0.521 -4.983 1.00 0.00 C ATOM 0 H ALA A 42 8.560 -0.327 -7.029 1.00 0.00 H new ATOM 0 HA ALA A 42 10.506 -2.215 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.466 -0.853 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.563 0.163 -5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.017 -0.009 -4.686 1.00 0.00 H new ATOM 619 N LEU A 43 7.482 -2.435 -4.874 1.00 0.00 N ATOM 620 CA LEU A 43 6.581 -3.302 -4.121 1.00 0.00 C ATOM 621 C LEU A 43 6.391 -4.650 -4.805 1.00 0.00 C ATOM 622 O LEU A 43 6.486 -5.697 -4.163 1.00 0.00 O ATOM 623 CB LEU A 43 5.232 -2.608 -3.933 1.00 0.00 C ATOM 624 CG LEU A 43 5.261 -1.412 -2.980 1.00 0.00 C ATOM 625 CD1 LEU A 43 4.008 -0.564 -3.138 1.00 0.00 C ATOM 626 CD2 LEU A 43 5.401 -1.895 -1.544 1.00 0.00 C ATOM 0 H LEU A 43 7.041 -1.595 -5.249 1.00 0.00 H new ATOM 0 HA LEU A 43 7.032 -3.491 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.872 -2.273 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.512 -3.336 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 43 6.121 -0.791 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.051 0.281 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.945 -0.195 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.129 -1.169 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.421 -1.037 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.555 -2.535 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.327 -2.460 -1.439 1.00 0.00 H new ATOM 638 N LEU A 44 6.131 -4.630 -6.108 1.00 0.00 N ATOM 639 CA LEU A 44 5.941 -5.866 -6.855 1.00 0.00 C ATOM 640 C LEU A 44 7.189 -6.732 -6.783 1.00 0.00 C ATOM 641 O LEU A 44 7.116 -7.917 -6.464 1.00 0.00 O ATOM 642 CB LEU A 44 5.594 -5.569 -8.315 1.00 0.00 C ATOM 643 CG LEU A 44 4.228 -4.920 -8.536 1.00 0.00 C ATOM 644 CD1 LEU A 44 3.962 -4.737 -10.022 1.00 0.00 C ATOM 645 CD2 LEU A 44 3.134 -5.760 -7.894 1.00 0.00 C ATOM 0 H LEU A 44 6.048 -3.779 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 44 5.111 -6.409 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.361 -4.915 -8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.632 -6.501 -8.878 1.00 0.00 H new ATOM 0 HG LEU A 44 4.228 -3.937 -8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.985 -4.274 -10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.732 -4.098 -10.454 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.977 -5.708 -10.517 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.167 -5.286 -8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.131 -6.755 -8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.319 -5.842 -6.823 1.00 0.00 H new ATOM 657 N ASP A 45 8.338 -6.128 -7.070 1.00 0.00 N ATOM 658 CA ASP A 45 9.609 -6.842 -7.032 1.00 0.00 C ATOM 659 C ASP A 45 9.733 -7.658 -5.749 1.00 0.00 C ATOM 660 O ASP A 45 10.228 -8.786 -5.762 1.00 0.00 O ATOM 661 CB ASP A 45 10.771 -5.852 -7.138 1.00 0.00 C ATOM 662 CG ASP A 45 12.122 -6.541 -7.150 1.00 0.00 C ATOM 663 OD1 ASP A 45 12.367 -7.350 -8.069 1.00 0.00 O ATOM 664 OD2 ASP A 45 12.933 -6.271 -6.239 1.00 0.00 O ATOM 0 H ASP A 45 8.415 -5.145 -7.332 1.00 0.00 H new ATOM 0 HA ASP A 45 9.644 -7.526 -7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.660 -5.262 -8.048 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.729 -5.156 -6.300 1.00 0.00 H new ATOM 669 N PHE A 46 9.273 -7.081 -4.644 1.00 0.00 N ATOM 670 CA PHE A 46 9.326 -7.754 -3.353 1.00 0.00 C ATOM 671 C PHE A 46 8.207 -8.785 -3.220 1.00 0.00 C ATOM 672 O PHE A 46 8.428 -9.895 -2.744 1.00 0.00 O ATOM 673 CB PHE A 46 9.230 -6.730 -2.219 1.00 0.00 C ATOM 674 CG PHE A 46 9.305 -7.338 -0.847 1.00 0.00 C ATOM 675 CD1 PHE A 46 10.242 -8.316 -0.558 1.00 0.00 C ATOM 676 CD2 PHE A 46 8.440 -6.927 0.154 1.00 0.00 C ATOM 677 CE1 PHE A 46 10.315 -8.876 0.704 1.00 0.00 C ATOM 678 CE2 PHE A 46 8.508 -7.481 1.420 1.00 0.00 C ATOM 679 CZ PHE A 46 9.447 -8.457 1.693 1.00 0.00 C ATOM 0 H PHE A 46 8.859 -6.149 -4.617 1.00 0.00 H new ATOM 0 HA PHE A 46 10.280 -8.277 -3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.035 -6.003 -2.329 1.00 0.00 H new ATOM 0 HB3 PHE A 46 8.292 -6.183 -2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.924 -8.645 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.704 -6.165 -0.056 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.049 -9.639 0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.829 -7.151 2.193 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.502 -8.892 2.680 1.00 0.00 H new ATOM 689 N VAL A 47 7.003 -8.404 -3.635 1.00 0.00 N ATOM 690 CA VAL A 47 5.844 -9.288 -3.549 1.00 0.00 C ATOM 691 C VAL A 47 6.082 -10.623 -4.259 1.00 0.00 C ATOM 692 O VAL A 47 5.893 -11.687 -3.670 1.00 0.00 O ATOM 693 CB VAL A 47 4.588 -8.615 -4.142 1.00 0.00 C ATOM 694 CG1 VAL A 47 3.372 -9.522 -4.019 1.00 0.00 C ATOM 695 CG2 VAL A 47 4.332 -7.276 -3.463 1.00 0.00 C ATOM 0 H VAL A 47 6.804 -7.487 -4.035 1.00 0.00 H new ATOM 0 HA VAL A 47 5.686 -9.486 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 47 4.766 -8.437 -5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.501 -9.023 -4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.556 -10.452 -4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.187 -9.741 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.443 -6.814 -3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.180 -7.433 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.190 -6.621 -3.615 1.00 0.00 H new ATOM 705 N ARG A 48 6.485 -10.563 -5.525 1.00 0.00 N ATOM 706 CA ARG A 48 6.730 -11.783 -6.301 1.00 0.00 C ATOM 707 C ARG A 48 7.965 -12.536 -5.815 1.00 0.00 C ATOM 708 O ARG A 48 7.873 -13.685 -5.385 1.00 0.00 O ATOM 709 CB ARG A 48 6.876 -11.477 -7.800 1.00 0.00 C ATOM 710 CG ARG A 48 7.335 -10.064 -8.127 1.00 0.00 C ATOM 711 CD ARG A 48 7.633 -9.905 -9.609 1.00 0.00 C ATOM 712 NE ARG A 48 8.684 -10.814 -10.057 1.00 0.00 N ATOM 713 CZ ARG A 48 9.129 -10.873 -11.311 1.00 0.00 C ATOM 714 NH1 ARG A 48 8.619 -10.077 -12.241 1.00 0.00 N ATOM 715 NH2 ARG A 48 10.088 -11.730 -11.634 1.00 0.00 N ATOM 0 H ARG A 48 6.649 -9.695 -6.034 1.00 0.00 H new ATOM 0 HA ARG A 48 5.858 -12.419 -6.150 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.586 -12.182 -8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.916 -11.653 -8.286 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.564 -9.352 -7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.227 -9.827 -7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.725 -10.090 -10.183 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.933 -8.877 -9.810 1.00 0.00 H new ATOM 0 HE ARG A 48 9.102 -11.441 -9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.882 -9.415 -11.998 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.964 -10.127 -13.200 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.485 -12.344 -10.922 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.429 -11.776 -12.594 1.00 0.00 H new ATOM 729 N ARG A 49 9.120 -11.891 -5.903 1.00 0.00 N ATOM 730 CA ARG A 49 10.380 -12.508 -5.488 1.00 0.00 C ATOM 731 C ARG A 49 10.293 -13.086 -4.076 1.00 0.00 C ATOM 732 O ARG A 49 10.674 -14.233 -3.846 1.00 0.00 O ATOM 733 CB ARG A 49 11.523 -11.496 -5.570 1.00 0.00 C ATOM 734 CG ARG A 49 11.822 -11.031 -6.985 1.00 0.00 C ATOM 735 CD ARG A 49 13.008 -10.081 -7.023 1.00 0.00 C ATOM 736 NE ARG A 49 13.352 -9.685 -8.387 1.00 0.00 N ATOM 737 CZ ARG A 49 13.819 -10.523 -9.310 1.00 0.00 C ATOM 738 NH1 ARG A 49 14.046 -11.796 -9.010 1.00 0.00 N ATOM 739 NH2 ARG A 49 14.072 -10.084 -10.536 1.00 0.00 N ATOM 0 H ARG A 49 9.214 -10.939 -6.258 1.00 0.00 H new ATOM 0 HA ARG A 49 10.579 -13.332 -6.173 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.275 -10.630 -4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.423 -11.941 -5.145 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.027 -11.895 -7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.944 -10.535 -7.399 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.779 -9.192 -6.435 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.870 -10.559 -6.556 1.00 0.00 H new ATOM 0 HE ARG A 49 13.227 -8.707 -8.648 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.863 -12.138 -8.067 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.404 -12.432 -9.723 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.909 -9.105 -10.771 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.430 -10.725 -11.244 1.00 0.00 H new ATOM 753 N GLU A 50 9.792 -12.293 -3.135 1.00 0.00 N ATOM 754 CA GLU A 50 9.662 -12.744 -1.752 1.00 0.00 C ATOM 755 C GLU A 50 8.520 -13.749 -1.604 1.00 0.00 C ATOM 756 O GLU A 50 8.398 -14.411 -0.573 1.00 0.00 O ATOM 757 CB GLU A 50 9.432 -11.555 -0.815 1.00 0.00 C ATOM 758 CG GLU A 50 9.424 -11.934 0.658 1.00 0.00 C ATOM 759 CD GLU A 50 10.748 -12.506 1.128 1.00 0.00 C ATOM 760 OE1 GLU A 50 11.690 -12.578 0.310 1.00 0.00 O ATOM 761 OE2 GLU A 50 10.845 -12.880 2.316 1.00 0.00 O ATOM 0 H GLU A 50 9.470 -11.340 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 50 10.594 -13.237 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.211 -10.812 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.482 -11.084 -1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.183 -11.053 1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.635 -12.665 0.836 1.00 0.00 H new ATOM 768 N GLY A 51 7.684 -13.858 -2.633 1.00 0.00 N ATOM 769 CA GLY A 51 6.567 -14.784 -2.588 1.00 0.00 C ATOM 770 C GLY A 51 5.582 -14.449 -1.486 1.00 0.00 C ATOM 771 O GLY A 51 5.072 -15.341 -0.807 1.00 0.00 O ATOM 0 H GLY A 51 7.761 -13.321 -3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.051 -14.773 -3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.944 -15.796 -2.440 1.00 0.00 H new ATOM 775 N LEU A 52 5.315 -13.160 -1.309 1.00 0.00 N ATOM 776 CA LEU A 52 4.381 -12.707 -0.284 1.00 0.00 C ATOM 777 C LEU A 52 2.943 -12.986 -0.692 1.00 0.00 C ATOM 778 O LEU A 52 2.177 -13.586 0.060 1.00 0.00 O ATOM 779 CB LEU A 52 4.561 -11.212 -0.023 1.00 0.00 C ATOM 780 CG LEU A 52 5.956 -10.797 0.445 1.00 0.00 C ATOM 781 CD1 LEU A 52 6.025 -9.292 0.651 1.00 0.00 C ATOM 782 CD2 LEU A 52 6.328 -11.534 1.723 1.00 0.00 C ATOM 0 H LEU A 52 5.732 -12.410 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 52 4.595 -13.260 0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.325 -10.669 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.835 -10.901 0.728 1.00 0.00 H new ATOM 0 HG LEU A 52 6.675 -11.067 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.025 -9.016 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.803 -8.786 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.297 -8.994 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.324 -11.227 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.606 -11.295 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.321 -12.608 1.539 1.00 0.00 H new ATOM 794 N GLY A 53 2.581 -12.540 -1.888 1.00 0.00 N ATOM 795 CA GLY A 53 1.233 -12.743 -2.377 1.00 0.00 C ATOM 796 C GLY A 53 0.188 -12.235 -1.404 1.00 0.00 C ATOM 797 O GLY A 53 -0.927 -12.752 -1.352 1.00 0.00 O ATOM 0 H GLY A 53 3.198 -12.041 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.115 -12.233 -3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.071 -13.805 -2.560 1.00 0.00 H new ATOM 801 N LYS A 54 0.555 -11.213 -0.633 1.00 0.00 N ATOM 802 CA LYS A 54 -0.344 -10.622 0.353 1.00 0.00 C ATOM 803 C LYS A 54 0.164 -9.256 0.793 1.00 0.00 C ATOM 804 O LYS A 54 1.350 -9.092 1.076 1.00 0.00 O ATOM 805 CB LYS A 54 -0.462 -11.520 1.583 1.00 0.00 C ATOM 806 CG LYS A 54 -1.035 -12.899 1.297 1.00 0.00 C ATOM 807 CD LYS A 54 -1.245 -13.693 2.576 1.00 0.00 C ATOM 808 CE LYS A 54 -1.821 -15.070 2.286 1.00 0.00 C ATOM 809 NZ LYS A 54 -2.021 -15.865 3.530 1.00 0.00 N ATOM 0 H LYS A 54 1.475 -10.775 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.322 -10.515 -0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.525 -11.635 2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.091 -11.024 2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.984 -12.797 0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.361 -13.444 0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.296 -13.797 3.101 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.917 -13.148 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.774 -14.963 1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.152 -15.609 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.415 -16.796 3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.108 -15.990 4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.680 -15.364 4.160 1.00 0.00 H new ATOM 823 N LEU A 55 -0.737 -8.284 0.863 1.00 0.00 N ATOM 824 CA LEU A 55 -0.364 -6.938 1.280 1.00 0.00 C ATOM 825 C LEU A 55 -1.426 -6.329 2.190 1.00 0.00 C ATOM 826 O LEU A 55 -2.625 -6.499 1.967 1.00 0.00 O ATOM 827 CB LEU A 55 -0.130 -6.043 0.058 1.00 0.00 C ATOM 828 CG LEU A 55 1.031 -6.466 -0.851 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.283 -6.752 -0.032 1.00 0.00 C ATOM 830 CD2 LEU A 55 0.645 -7.679 -1.689 1.00 0.00 C ATOM 0 H LEU A 55 -1.725 -8.401 0.638 1.00 0.00 H new ATOM 0 HA LEU A 55 0.565 -7.007 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.044 -6.019 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.052 -5.025 0.403 1.00 0.00 H new ATOM 0 HG LEU A 55 1.250 -5.640 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.093 -7.050 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.574 -5.854 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.080 -7.556 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.483 -7.962 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.392 -8.510 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.216 -7.433 -2.310 1.00 0.00 H new ATOM 842 N VAL A 56 -0.970 -5.628 3.224 1.00 0.00 N ATOM 843 CA VAL A 56 -1.866 -4.996 4.184 1.00 0.00 C ATOM 844 C VAL A 56 -1.240 -3.730 4.764 1.00 0.00 C ATOM 845 O VAL A 56 -0.030 -3.674 4.987 1.00 0.00 O ATOM 846 CB VAL A 56 -2.217 -5.961 5.338 1.00 0.00 C ATOM 847 CG1 VAL A 56 -0.970 -6.347 6.117 1.00 0.00 C ATOM 848 CG2 VAL A 56 -3.260 -5.346 6.258 1.00 0.00 C ATOM 0 H VAL A 56 0.021 -5.484 3.418 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.778 -4.734 3.648 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.640 -6.867 4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.241 -7.027 6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.262 -6.840 5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.511 -5.451 6.536 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.492 -6.043 7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.871 -4.420 6.681 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.166 -5.133 5.690 1.00 0.00 H new ATOM 858 N VAL A 57 -2.064 -2.713 5.002 1.00 0.00 N ATOM 859 CA VAL A 57 -1.567 -1.453 5.549 1.00 0.00 C ATOM 860 C VAL A 57 -2.572 -0.807 6.499 1.00 0.00 C ATOM 861 O VAL A 57 -3.744 -0.632 6.158 1.00 0.00 O ATOM 862 CB VAL A 57 -1.238 -0.445 4.430 1.00 0.00 C ATOM 863 CG1 VAL A 57 -0.539 0.782 4.999 1.00 0.00 C ATOM 864 CG2 VAL A 57 -0.394 -1.101 3.348 1.00 0.00 C ATOM 0 H VAL A 57 -3.069 -2.735 4.827 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.660 -1.701 6.101 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.174 -0.119 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.316 1.480 4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.189 1.266 5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.389 0.480 5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.173 -0.373 2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.538 -1.462 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.942 -1.939 2.917 1.00 0.00 H new ATOM 1094 N LYS A 73 -0.221 6.978 -3.164 1.00 0.00 N ATOM 1095 CA LYS A 73 0.676 6.065 -3.872 1.00 0.00 C ATOM 1096 C LYS A 73 0.447 4.592 -3.500 1.00 0.00 C ATOM 1097 O LYS A 73 0.856 3.696 -4.238 1.00 0.00 O ATOM 1098 CB LYS A 73 2.136 6.451 -3.618 1.00 0.00 C ATOM 1099 CG LYS A 73 2.467 7.873 -4.044 1.00 0.00 C ATOM 1100 CD LYS A 73 3.950 8.178 -3.897 1.00 0.00 C ATOM 1101 CE LYS A 73 4.405 8.046 -2.452 1.00 0.00 C ATOM 1102 NZ LYS A 73 3.673 8.978 -1.552 1.00 0.00 N ATOM 0 HA LYS A 73 0.449 6.163 -4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.355 6.337 -2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.786 5.759 -4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.167 8.020 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.890 8.576 -3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.526 7.498 -4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.152 9.188 -4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.251 7.021 -2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.475 8.245 -2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.134 8.994 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.684 9.935 -1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.689 8.658 -1.447 1.00 0.00 H new ATOM 1116 N VAL A 74 -0.192 4.336 -2.360 1.00 0.00 N ATOM 1117 CA VAL A 74 -0.448 2.967 -1.923 1.00 0.00 C ATOM 1118 C VAL A 74 -1.647 2.359 -2.654 1.00 0.00 C ATOM 1119 O VAL A 74 -1.620 1.192 -3.045 1.00 0.00 O ATOM 1120 CB VAL A 74 -0.696 2.900 -0.402 1.00 0.00 C ATOM 1121 CG1 VAL A 74 -0.898 1.461 0.047 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.456 3.544 0.354 1.00 0.00 C ATOM 0 H VAL A 74 -0.540 5.055 -1.726 1.00 0.00 H new ATOM 0 HA VAL A 74 0.444 2.390 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.606 3.456 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.071 1.436 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.759 1.036 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.009 0.877 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.265 3.488 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.382 3.018 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.548 4.588 0.056 1.00 0.00 H new ATOM 1132 N LEU A 75 -2.698 3.155 -2.831 1.00 0.00 N ATOM 1133 CA LEU A 75 -3.909 2.692 -3.506 1.00 0.00 C ATOM 1134 C LEU A 75 -3.589 2.108 -4.885 1.00 0.00 C ATOM 1135 O LEU A 75 -3.969 0.974 -5.185 1.00 0.00 O ATOM 1136 CB LEU A 75 -4.915 3.843 -3.633 1.00 0.00 C ATOM 1137 CG LEU A 75 -6.287 3.463 -4.200 1.00 0.00 C ATOM 1138 CD1 LEU A 75 -6.182 3.075 -5.667 1.00 0.00 C ATOM 1139 CD2 LEU A 75 -6.900 2.331 -3.391 1.00 0.00 C ATOM 0 H LEU A 75 -2.736 4.125 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.350 1.899 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.059 4.286 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.480 4.614 -4.269 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.938 4.334 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.169 2.810 -6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.789 3.916 -6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.513 2.221 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.874 2.073 -3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.246 1.460 -3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.020 2.648 -2.355 1.00 0.00 H new ATOM 1151 N PRO A 76 -2.890 2.866 -5.751 1.00 0.00 N ATOM 1152 CA PRO A 76 -2.540 2.399 -7.093 1.00 0.00 C ATOM 1153 C PRO A 76 -1.926 1.002 -7.072 1.00 0.00 C ATOM 1154 O PRO A 76 -2.162 0.200 -7.974 1.00 0.00 O ATOM 1155 CB PRO A 76 -1.526 3.433 -7.606 1.00 0.00 C ATOM 1156 CG PRO A 76 -1.234 4.339 -6.453 1.00 0.00 C ATOM 1157 CD PRO A 76 -2.395 4.227 -5.506 1.00 0.00 C ATOM 0 HA PRO A 76 -3.420 2.317 -7.731 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.617 2.945 -7.958 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.933 3.993 -8.448 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.305 4.051 -5.961 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.110 5.368 -6.792 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.085 4.364 -4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.158 4.977 -5.712 1.00 0.00 H new ATOM 1165 N LEU A 77 -1.147 0.711 -6.034 1.00 0.00 N ATOM 1166 CA LEU A 77 -0.519 -0.599 -5.903 1.00 0.00 C ATOM 1167 C LEU A 77 -1.570 -1.691 -5.803 1.00 0.00 C ATOM 1168 O LEU A 77 -1.458 -2.737 -6.441 1.00 0.00 O ATOM 1169 CB LEU A 77 0.382 -0.652 -4.668 1.00 0.00 C ATOM 1170 CG LEU A 77 0.985 -2.029 -4.373 1.00 0.00 C ATOM 1171 CD1 LEU A 77 2.071 -2.369 -5.387 1.00 0.00 C ATOM 1172 CD2 LEU A 77 1.522 -2.090 -2.950 1.00 0.00 C ATOM 0 H LEU A 77 -0.937 1.360 -5.276 1.00 0.00 H new ATOM 0 HA LEU A 77 0.087 -0.763 -6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.193 0.065 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.194 -0.330 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 77 0.196 -2.776 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.486 -3.351 -5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.643 -2.379 -6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.862 -1.620 -5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.945 -3.077 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.295 -1.333 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.710 -1.904 -2.247 1.00 0.00 H new ATOM 1184 N VAL A 78 -2.596 -1.439 -5.000 1.00 0.00 N ATOM 1185 CA VAL A 78 -3.670 -2.403 -4.820 1.00 0.00 C ATOM 1186 C VAL A 78 -4.271 -2.787 -6.166 1.00 0.00 C ATOM 1187 O VAL A 78 -4.678 -3.928 -6.374 1.00 0.00 O ATOM 1188 CB VAL A 78 -4.782 -1.856 -3.905 1.00 0.00 C ATOM 1189 CG1 VAL A 78 -5.832 -2.923 -3.645 1.00 0.00 C ATOM 1190 CG2 VAL A 78 -4.195 -1.344 -2.597 1.00 0.00 C ATOM 0 H VAL A 78 -2.706 -0.577 -4.465 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.236 -3.283 -4.345 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.265 -1.020 -4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.609 -2.518 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.275 -3.236 -4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.366 -3.781 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.996 -0.962 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.684 -2.159 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.484 -0.544 -2.806 1.00 0.00 H new ATOM 1200 N GLU A 79 -4.317 -1.822 -7.081 1.00 0.00 N ATOM 1201 CA GLU A 79 -4.867 -2.057 -8.411 1.00 0.00 C ATOM 1202 C GLU A 79 -4.144 -3.209 -9.104 1.00 0.00 C ATOM 1203 O GLU A 79 -4.772 -4.073 -9.716 1.00 0.00 O ATOM 1204 CB GLU A 79 -4.761 -0.791 -9.263 1.00 0.00 C ATOM 1205 CG GLU A 79 -5.474 0.412 -8.663 1.00 0.00 C ATOM 1206 CD GLU A 79 -6.963 0.182 -8.487 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -7.337 -0.736 -7.729 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -7.754 0.923 -9.107 1.00 0.00 O ATOM 0 H GLU A 79 -3.980 -0.872 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.918 -2.324 -8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.708 -0.545 -9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.176 -0.993 -10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.030 0.647 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.318 1.279 -9.305 1.00 0.00 H new ATOM 1215 N ALA A 80 -2.818 -3.215 -9.000 1.00 0.00 N ATOM 1216 CA ALA A 80 -2.008 -4.259 -9.614 1.00 0.00 C ATOM 1217 C ALA A 80 -2.336 -5.626 -9.025 1.00 0.00 C ATOM 1218 O ALA A 80 -2.520 -6.601 -9.754 1.00 0.00 O ATOM 1219 CB ALA A 80 -0.529 -3.953 -9.430 1.00 0.00 C ATOM 0 H ALA A 80 -2.283 -2.508 -8.496 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.238 -4.283 -10.679 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.066 -4.740 -9.893 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.294 -2.997 -9.899 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.298 -3.902 -8.366 1.00 0.00 H new ATOM 1225 N LEU A 81 -2.393 -5.688 -7.700 1.00 0.00 N ATOM 1226 CA LEU A 81 -2.682 -6.933 -7.000 1.00 0.00 C ATOM 1227 C LEU A 81 -4.076 -7.454 -7.343 1.00 0.00 C ATOM 1228 O LEU A 81 -4.260 -8.651 -7.566 1.00 0.00 O ATOM 1229 CB LEU A 81 -2.551 -6.717 -5.491 1.00 0.00 C ATOM 1230 CG LEU A 81 -1.250 -6.037 -5.052 1.00 0.00 C ATOM 1231 CD1 LEU A 81 -1.169 -5.955 -3.536 1.00 0.00 C ATOM 1232 CD2 LEU A 81 -0.045 -6.776 -5.618 1.00 0.00 C ATOM 0 H LEU A 81 -2.242 -4.887 -7.087 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.961 -7.684 -7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.393 -6.115 -5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.627 -7.683 -4.992 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.245 -5.021 -5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.237 -5.469 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.012 -5.377 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.199 -6.960 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.870 -6.279 -5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.046 -7.804 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.095 -6.774 -6.707 1.00 0.00 H new ATOM 1244 N ARG A 82 -5.055 -6.553 -7.385 1.00 0.00 N ATOM 1245 CA ARG A 82 -6.430 -6.933 -7.702 1.00 0.00 C ATOM 1246 C ARG A 82 -6.508 -7.651 -9.047 1.00 0.00 C ATOM 1247 O ARG A 82 -7.193 -8.666 -9.179 1.00 0.00 O ATOM 1248 CB ARG A 82 -7.337 -5.700 -7.717 1.00 0.00 C ATOM 1249 CG ARG A 82 -7.550 -5.080 -6.346 1.00 0.00 C ATOM 1250 CD ARG A 82 -8.271 -6.035 -5.409 1.00 0.00 C ATOM 1251 NE ARG A 82 -9.590 -6.406 -5.916 1.00 0.00 N ATOM 1252 CZ ARG A 82 -10.426 -7.224 -5.281 1.00 0.00 C ATOM 1253 NH1 ARG A 82 -10.085 -7.760 -4.115 1.00 0.00 N ATOM 1254 NH2 ARG A 82 -11.607 -7.507 -5.812 1.00 0.00 N ATOM 0 H ARG A 82 -4.923 -5.558 -7.204 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.772 -7.618 -6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.906 -4.951 -8.381 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.305 -5.977 -8.135 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.587 -4.805 -5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.128 -4.161 -6.447 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.669 -6.933 -5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.377 -5.571 -4.429 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.888 -6.015 -6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.178 -7.546 -3.701 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.730 -8.386 -3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.875 -7.098 -6.707 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.248 -8.134 -5.326 1.00 0.00 H new ATOM 1268 N ALA A 83 -5.803 -7.123 -10.042 1.00 0.00 N ATOM 1269 CA ALA A 83 -5.796 -7.723 -11.373 1.00 0.00 C ATOM 1270 C ALA A 83 -5.299 -9.165 -11.318 1.00 0.00 C ATOM 1271 O ALA A 83 -5.905 -10.064 -11.899 1.00 0.00 O ATOM 1272 CB ALA A 83 -4.933 -6.900 -12.318 1.00 0.00 C ATOM 0 H ALA A 83 -5.230 -6.283 -9.953 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.819 -7.731 -11.749 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.937 -7.359 -13.307 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.331 -5.888 -12.386 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.912 -6.863 -11.939 1.00 0.00 H new ATOM 1278 N ARG A 84 -4.196 -9.373 -10.608 1.00 0.00 N ATOM 1279 CA ARG A 84 -3.617 -10.703 -10.464 1.00 0.00 C ATOM 1280 C ARG A 84 -4.490 -11.584 -9.577 1.00 0.00 C ATOM 1281 O ARG A 84 -4.533 -12.802 -9.742 1.00 0.00 O ATOM 1282 CB ARG A 84 -2.206 -10.609 -9.881 1.00 0.00 C ATOM 1283 CG ARG A 84 -1.231 -9.854 -10.768 1.00 0.00 C ATOM 1284 CD ARG A 84 0.159 -9.800 -10.150 1.00 0.00 C ATOM 1285 NE ARG A 84 1.112 -9.091 -11.001 1.00 0.00 N ATOM 1286 CZ ARG A 84 1.037 -7.792 -11.280 1.00 0.00 C ATOM 1287 NH1 ARG A 84 0.083 -7.042 -10.741 1.00 0.00 N ATOM 1288 NH2 ARG A 84 1.926 -7.236 -12.091 1.00 0.00 N ATOM 0 H ARG A 84 -3.684 -8.636 -10.123 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.563 -11.157 -11.454 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.255 -10.118 -8.909 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.824 -11.616 -9.710 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.178 -10.336 -11.744 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.597 -8.840 -10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.105 -9.308 -9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.516 -10.814 -9.973 1.00 0.00 H new ATOM 0 HE ARG A 84 1.882 -9.624 -11.406 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.599 -7.461 -10.108 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.032 -6.047 -10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.667 -7.804 -12.501 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.869 -6.240 -12.305 1.00 0.00 H new ATOM 1302 N GLY A 85 -5.180 -10.956 -8.629 1.00 0.00 N ATOM 1303 CA GLY A 85 -6.037 -11.692 -7.720 1.00 0.00 C ATOM 1304 C GLY A 85 -5.320 -12.073 -6.441 1.00 0.00 C ATOM 1305 O GLY A 85 -5.457 -13.195 -5.951 1.00 0.00 O ATOM 0 H GLY A 85 -5.160 -9.948 -8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.912 -11.088 -7.478 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.399 -12.594 -8.214 1.00 0.00 H new ATOM 1309 N VAL A 86 -4.556 -11.131 -5.900 1.00 0.00 N ATOM 1310 CA VAL A 86 -3.812 -11.355 -4.666 1.00 0.00 C ATOM 1311 C VAL A 86 -4.540 -10.736 -3.477 1.00 0.00 C ATOM 1312 O VAL A 86 -5.125 -9.659 -3.590 1.00 0.00 O ATOM 1313 CB VAL A 86 -2.392 -10.762 -4.756 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.604 -11.050 -3.484 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -1.665 -11.305 -5.977 1.00 0.00 C ATOM 0 H VAL A 86 -4.435 -10.200 -6.299 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.736 -12.433 -4.523 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.478 -9.680 -4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.605 -10.622 -3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.116 -10.606 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.526 -12.128 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.664 -10.876 -6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.592 -12.390 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.218 -11.039 -6.878 1.00 0.00 H new ATOM 1325 N GLU A 87 -4.500 -11.417 -2.336 1.00 0.00 N ATOM 1326 CA GLU A 87 -5.154 -10.920 -1.133 1.00 0.00 C ATOM 1327 C GLU A 87 -4.584 -9.564 -0.733 1.00 0.00 C ATOM 1328 O GLU A 87 -3.369 -9.397 -0.632 1.00 0.00 O ATOM 1329 CB GLU A 87 -4.984 -11.916 0.015 1.00 0.00 C ATOM 1330 CG GLU A 87 -5.561 -13.291 -0.281 1.00 0.00 C ATOM 1331 CD GLU A 87 -5.377 -14.264 0.869 1.00 0.00 C ATOM 1332 OE1 GLU A 87 -4.795 -13.864 1.899 1.00 0.00 O ATOM 1333 OE2 GLU A 87 -5.815 -15.426 0.738 1.00 0.00 O ATOM 0 H GLU A 87 -4.023 -12.311 -2.220 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.217 -10.803 -1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.923 -12.018 0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.464 -11.514 0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.624 -13.194 -0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.084 -13.696 -1.174 1.00 0.00 H new ATOM 1340 N VAL A 88 -5.467 -8.593 -0.518 1.00 0.00 N ATOM 1341 CA VAL A 88 -5.045 -7.249 -0.141 1.00 0.00 C ATOM 1342 C VAL A 88 -6.125 -6.537 0.666 1.00 0.00 C ATOM 1343 O VAL A 88 -7.314 -6.644 0.367 1.00 0.00 O ATOM 1344 CB VAL A 88 -4.707 -6.392 -1.380 1.00 0.00 C ATOM 1345 CG1 VAL A 88 -4.269 -4.993 -0.968 1.00 0.00 C ATOM 1346 CG2 VAL A 88 -3.631 -7.057 -2.224 1.00 0.00 C ATOM 0 H VAL A 88 -6.477 -8.712 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.150 -7.364 0.470 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.611 -6.306 -1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.036 -4.408 -1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.073 -4.508 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.383 -5.060 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.411 -6.433 -3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.727 -7.182 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.983 -8.033 -2.559 1.00 0.00 H new ATOM 1356 N GLU A 89 -5.695 -5.803 1.687 1.00 0.00 N ATOM 1357 CA GLU A 89 -6.615 -5.061 2.540 1.00 0.00 C ATOM 1358 C GLU A 89 -5.855 -4.042 3.383 1.00 0.00 C ATOM 1359 O GLU A 89 -4.838 -4.363 3.996 1.00 0.00 O ATOM 1360 CB GLU A 89 -7.406 -6.011 3.449 1.00 0.00 C ATOM 1361 CG GLU A 89 -6.573 -6.687 4.531 1.00 0.00 C ATOM 1362 CD GLU A 89 -5.631 -7.746 3.991 1.00 0.00 C ATOM 1363 OE1 GLU A 89 -5.728 -8.078 2.792 1.00 0.00 O ATOM 1364 OE2 GLU A 89 -4.807 -8.261 4.776 1.00 0.00 O ATOM 0 H GLU A 89 -4.713 -5.706 1.944 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.320 -4.533 1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.212 -5.452 3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.872 -6.780 2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.993 -5.930 5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.241 -7.144 5.262 1.00 0.00 H new ATOM 1371 N LEU A 90 -6.350 -2.812 3.404 1.00 0.00 N ATOM 1372 CA LEU A 90 -5.706 -1.752 4.169 1.00 0.00 C ATOM 1373 C LEU A 90 -6.711 -0.676 4.558 1.00 0.00 C ATOM 1374 O LEU A 90 -7.393 -0.106 3.706 1.00 0.00 O ATOM 1375 CB LEU A 90 -4.564 -1.129 3.361 1.00 0.00 C ATOM 1376 CG LEU A 90 -4.975 -0.470 2.042 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -3.777 0.201 1.389 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -5.589 -1.493 1.097 1.00 0.00 C ATOM 0 H LEU A 90 -7.191 -2.524 2.903 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.299 -2.193 5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.068 -0.382 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.829 -1.904 3.146 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.726 0.290 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.086 0.665 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.378 0.964 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.007 -0.544 1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.874 -1.003 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.861 -2.277 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.472 -1.933 1.561 1.00 0.00 H new