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+ 174:sc= 0.131 (180deg=-0.227) USER MOD Single : A 35 THR OG1 : rot 137:sc= 0.568 USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= -0.0318 (180deg=-0.309) USER MOD Single : A 73 LYS NZ :NH3+ 155:sc= -0.179 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 1.643 -15.662 4.945 1.00 0.00 N ATOM 19 CA ARG A 2 2.557 -14.525 4.942 1.00 0.00 C ATOM 20 C ARG A 2 1.882 -13.294 4.343 1.00 0.00 C ATOM 21 O ARG A 2 1.252 -13.376 3.290 1.00 0.00 O ATOM 22 CB ARG A 2 3.823 -14.862 4.154 1.00 0.00 C ATOM 23 CG ARG A 2 4.593 -16.046 4.717 1.00 0.00 C ATOM 24 CD ARG A 2 5.841 -16.339 3.899 1.00 0.00 C ATOM 25 NE ARG A 2 6.604 -17.462 4.439 1.00 0.00 N ATOM 26 CZ ARG A 2 7.223 -17.443 5.617 1.00 0.00 C ATOM 27 NH1 ARG A 2 7.216 -16.345 6.363 1.00 0.00 N ATOM 28 NH2 ARG A 2 7.866 -18.521 6.044 1.00 0.00 N ATOM 0 HA ARG A 2 2.831 -14.305 5.974 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.552 -15.074 3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.475 -13.989 4.140 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.874 -15.841 5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.950 -16.926 4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.556 -16.557 2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 2 6.473 -15.451 3.873 1.00 0.00 H new ATOM 0 HE ARG A 2 6.666 -18.312 3.879 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.734 -15.508 6.034 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.693 -16.338 7.265 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.886 -19.364 5.470 1.00 0.00 H new ATOM 0 HH22 ARG A 2 8.341 -18.508 6.947 1.00 0.00 H new ATOM 42 N VAL A 3 2.016 -12.156 5.015 1.00 0.00 N ATOM 43 CA VAL A 3 1.412 -10.919 4.538 1.00 0.00 C ATOM 44 C VAL A 3 2.410 -9.765 4.582 1.00 0.00 C ATOM 45 O VAL A 3 3.156 -9.609 5.549 1.00 0.00 O ATOM 46 CB VAL A 3 0.162 -10.548 5.363 1.00 0.00 C ATOM 47 CG1 VAL A 3 0.527 -10.259 6.812 1.00 0.00 C ATOM 48 CG2 VAL A 3 -0.562 -9.363 4.740 1.00 0.00 C ATOM 0 H VAL A 3 2.535 -12.065 5.888 1.00 0.00 H new ATOM 0 HA VAL A 3 1.112 -11.090 3.504 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.513 -11.404 5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.373 -10.000 7.369 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.987 -11.143 7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.230 -9.427 6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.440 -9.118 5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.107 -8.503 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.872 -9.618 3.727 1.00 0.00 H new ATOM 58 N GLY A 4 2.415 -8.956 3.527 1.00 0.00 N ATOM 59 CA GLY A 4 3.321 -7.824 3.466 1.00 0.00 C ATOM 60 C GLY A 4 2.759 -6.605 4.170 1.00 0.00 C ATOM 61 O GLY A 4 1.646 -6.171 3.874 1.00 0.00 O ATOM 0 H GLY A 4 1.808 -9.064 2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.273 -8.098 3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.524 -7.579 2.424 1.00 0.00 H new ATOM 65 N ALA A 5 3.525 -6.049 5.104 1.00 0.00 N ATOM 66 CA ALA A 5 3.086 -4.872 5.844 1.00 0.00 C ATOM 67 C ALA A 5 3.757 -3.610 5.317 1.00 0.00 C ATOM 68 O ALA A 5 4.978 -3.565 5.153 1.00 0.00 O ATOM 69 CB ALA A 5 3.374 -5.046 7.328 1.00 0.00 C ATOM 0 H ALA A 5 4.449 -6.393 5.365 1.00 0.00 H new ATOM 0 HA ALA A 5 2.010 -4.764 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.042 -4.160 7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.842 -5.921 7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.445 -5.182 7.477 1.00 0.00 H new ATOM 75 N LEU A 6 2.950 -2.586 5.053 1.00 0.00 N ATOM 76 CA LEU A 6 3.460 -1.318 4.544 1.00 0.00 C ATOM 77 C LEU A 6 3.059 -0.162 5.455 1.00 0.00 C ATOM 78 O LEU A 6 1.936 -0.115 5.956 1.00 0.00 O ATOM 79 CB LEU A 6 2.942 -1.069 3.125 1.00 0.00 C ATOM 80 CG LEU A 6 3.389 -2.096 2.082 1.00 0.00 C ATOM 81 CD1 LEU A 6 2.806 -1.761 0.719 1.00 0.00 C ATOM 82 CD2 LEU A 6 4.908 -2.156 2.014 1.00 0.00 C ATOM 0 H LEU A 6 1.939 -2.611 5.184 1.00 0.00 H new ATOM 0 HA LEU A 6 4.548 -1.376 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.852 -1.051 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.270 -0.081 2.803 1.00 0.00 H new ATOM 0 HG LEU A 6 3.018 -3.076 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.135 -2.502 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.718 -1.767 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.147 -0.773 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.210 -2.891 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.299 -1.177 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.305 -2.444 2.988 1.00 0.00 H new ATOM 94 N ASP A 7 3.986 0.767 5.663 1.00 0.00 N ATOM 95 CA ASP A 7 3.734 1.924 6.513 1.00 0.00 C ATOM 96 C ASP A 7 4.499 3.140 6.015 1.00 0.00 C ATOM 97 O ASP A 7 5.653 3.034 5.607 1.00 0.00 O ATOM 98 CB ASP A 7 4.121 1.619 7.960 1.00 0.00 C ATOM 99 CG ASP A 7 5.543 1.114 8.085 1.00 0.00 C ATOM 100 OD1 ASP A 7 5.835 0.034 7.532 1.00 0.00 O ATOM 101 OD2 ASP A 7 6.363 1.798 8.733 1.00 0.00 O ATOM 0 H ASP A 7 4.920 0.741 5.254 1.00 0.00 H new ATOM 0 HA ASP A 7 2.668 2.146 6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.005 2.520 8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.437 0.874 8.366 1.00 0.00 H new ATOM 106 N VAL A 8 3.844 4.295 6.052 1.00 0.00 N ATOM 107 CA VAL A 8 4.458 5.536 5.602 1.00 0.00 C ATOM 108 C VAL A 8 4.653 6.510 6.761 1.00 0.00 C ATOM 109 O VAL A 8 3.744 6.729 7.562 1.00 0.00 O ATOM 110 CB VAL A 8 3.613 6.214 4.506 1.00 0.00 C ATOM 111 CG1 VAL A 8 2.229 6.562 5.035 1.00 0.00 C ATOM 112 CG2 VAL A 8 4.317 7.452 3.972 1.00 0.00 C ATOM 0 H VAL A 8 2.887 4.396 6.390 1.00 0.00 H new ATOM 0 HA VAL A 8 5.432 5.275 5.189 1.00 0.00 H new ATOM 0 HB VAL A 8 3.494 5.512 3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.648 7.040 4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.723 5.652 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.323 7.244 5.880 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.703 7.915 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.473 8.161 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.280 7.168 3.548 1.00 0.00 H new ATOM 122 N GLY A 9 5.843 7.093 6.834 1.00 0.00 N ATOM 123 CA GLY A 9 6.147 8.042 7.887 1.00 0.00 C ATOM 124 C GLY A 9 7.482 8.721 7.667 1.00 0.00 C ATOM 125 O GLY A 9 8.501 8.054 7.481 1.00 0.00 O ATOM 0 H GLY A 9 6.606 6.924 6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.360 8.795 7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.155 7.528 8.848 1.00 0.00 H new ATOM 129 N GLU A 10 7.480 10.050 7.674 1.00 0.00 N ATOM 130 CA GLU A 10 8.700 10.815 7.460 1.00 0.00 C ATOM 131 C GLU A 10 9.353 10.419 6.141 1.00 0.00 C ATOM 132 O GLU A 10 10.563 10.207 6.068 1.00 0.00 O ATOM 133 CB GLU A 10 9.682 10.605 8.618 1.00 0.00 C ATOM 134 CG GLU A 10 9.160 11.095 9.961 1.00 0.00 C ATOM 135 CD GLU A 10 7.922 10.347 10.418 1.00 0.00 C ATOM 136 OE1 GLU A 10 8.001 9.113 10.585 1.00 0.00 O ATOM 137 OE2 GLU A 10 6.873 10.998 10.609 1.00 0.00 O ATOM 0 H GLU A 10 6.647 10.618 7.826 1.00 0.00 H new ATOM 0 HA GLU A 10 8.435 11.872 7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.917 9.543 8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.614 11.122 8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.943 10.986 10.712 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.931 12.158 9.891 1.00 0.00 H new ATOM 144 N ALA A 11 8.532 10.322 5.100 1.00 0.00 N ATOM 145 CA ALA A 11 9.001 9.951 3.769 1.00 0.00 C ATOM 146 C ALA A 11 9.298 8.455 3.672 1.00 0.00 C ATOM 147 O ALA A 11 8.799 7.771 2.778 1.00 0.00 O ATOM 148 CB ALA A 11 10.236 10.761 3.390 1.00 0.00 C ATOM 0 H ALA A 11 7.529 10.497 5.154 1.00 0.00 H new ATOM 0 HA ALA A 11 8.200 10.178 3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.571 10.470 2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.990 11.823 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.032 10.570 4.110 1.00 0.00 H new ATOM 154 N ARG A 12 10.113 7.950 4.589 1.00 0.00 N ATOM 155 CA ARG A 12 10.473 6.538 4.595 1.00 0.00 C ATOM 156 C ARG A 12 9.257 5.654 4.861 1.00 0.00 C ATOM 157 O ARG A 12 8.413 5.971 5.699 1.00 0.00 O ATOM 158 CB ARG A 12 11.552 6.270 5.647 1.00 0.00 C ATOM 159 CG ARG A 12 12.834 7.051 5.417 1.00 0.00 C ATOM 160 CD ARG A 12 13.871 6.748 6.486 1.00 0.00 C ATOM 161 NE ARG A 12 15.110 7.493 6.275 1.00 0.00 N ATOM 162 CZ ARG A 12 16.173 7.405 7.071 1.00 0.00 C ATOM 163 NH1 ARG A 12 16.153 6.605 8.131 1.00 0.00 N ATOM 164 NH2 ARG A 12 17.260 8.118 6.806 1.00 0.00 N ATOM 0 H ARG A 12 10.537 8.497 5.338 1.00 0.00 H new ATOM 0 HA ARG A 12 10.863 6.291 3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.157 6.519 6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.782 5.205 5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.240 6.806 4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.615 8.119 5.413 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.463 6.994 7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.087 5.680 6.489 1.00 0.00 H new ATOM 0 HE ARG A 12 15.163 8.117 5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.320 6.054 8.338 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.971 6.542 8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.281 8.733 5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.075 8.051 7.416 1.00 0.00 H new ATOM 178 N ILE A 13 9.189 4.532 4.150 1.00 0.00 N ATOM 179 CA ILE A 13 8.094 3.580 4.309 1.00 0.00 C ATOM 180 C ILE A 13 8.614 2.294 4.949 1.00 0.00 C ATOM 181 O ILE A 13 9.624 1.743 4.515 1.00 0.00 O ATOM 182 CB ILE A 13 7.432 3.258 2.951 1.00 0.00 C ATOM 183 CG1 ILE A 13 6.891 4.538 2.313 1.00 0.00 C ATOM 184 CG2 ILE A 13 6.317 2.231 3.114 1.00 0.00 C ATOM 185 CD1 ILE A 13 6.218 4.309 0.975 1.00 0.00 C ATOM 0 H ILE A 13 9.883 4.259 3.455 1.00 0.00 H new ATOM 0 HA ILE A 13 7.342 4.032 4.956 1.00 0.00 H new ATOM 0 HB ILE A 13 8.189 2.829 2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.178 5.001 2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.711 5.244 2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.869 2.023 2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.728 1.310 3.528 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.556 2.624 3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.859 5.260 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.934 3.875 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.377 3.628 1.103 1.00 0.00 H new ATOM 197 N GLY A 14 7.929 1.826 5.989 1.00 0.00 N ATOM 198 CA GLY A 14 8.357 0.618 6.670 1.00 0.00 C ATOM 199 C GLY A 14 7.958 -0.653 5.943 1.00 0.00 C ATOM 200 O GLY A 14 6.850 -0.755 5.415 1.00 0.00 O ATOM 0 H GLY A 14 7.089 2.260 6.371 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.441 0.638 6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.931 0.604 7.673 1.00 0.00 H new ATOM 204 N LEU A 15 8.862 -1.628 5.930 1.00 0.00 N ATOM 205 CA LEU A 15 8.605 -2.908 5.277 1.00 0.00 C ATOM 206 C LEU A 15 8.792 -4.058 6.262 1.00 0.00 C ATOM 207 O LEU A 15 9.783 -4.106 6.990 1.00 0.00 O ATOM 208 CB LEU A 15 9.542 -3.107 4.083 1.00 0.00 C ATOM 209 CG LEU A 15 9.330 -2.142 2.918 1.00 0.00 C ATOM 210 CD1 LEU A 15 10.294 -2.465 1.785 1.00 0.00 C ATOM 211 CD2 LEU A 15 7.891 -2.203 2.432 1.00 0.00 C ATOM 0 H LEU A 15 9.782 -1.556 6.365 1.00 0.00 H new ATOM 0 HA LEU A 15 7.574 -2.900 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.571 -3.011 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.423 -4.126 3.715 1.00 0.00 H new ATOM 0 HG LEU A 15 9.530 -1.128 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.133 -1.770 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.320 -2.372 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.121 -3.484 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.758 -1.509 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.662 -3.215 2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.220 -1.928 3.246 1.00 0.00 H new ATOM 223 N ALA A 16 7.839 -4.984 6.280 1.00 0.00 N ATOM 224 CA ALA A 16 7.917 -6.127 7.181 1.00 0.00 C ATOM 225 C ALA A 16 7.041 -7.279 6.694 1.00 0.00 C ATOM 226 O ALA A 16 6.637 -7.315 5.532 1.00 0.00 O ATOM 227 CB ALA A 16 7.521 -5.707 8.588 1.00 0.00 C ATOM 0 H ALA A 16 7.010 -4.966 5.686 1.00 0.00 H new ATOM 0 HA ALA A 16 8.947 -6.482 7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.582 -6.567 9.255 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.197 -4.927 8.939 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.500 -5.326 8.580 1.00 0.00 H new ATOM 233 N VAL A 17 6.753 -8.222 7.591 1.00 0.00 N ATOM 234 CA VAL A 17 5.933 -9.380 7.259 1.00 0.00 C ATOM 235 C VAL A 17 5.335 -10.000 8.520 1.00 0.00 C ATOM 236 O VAL A 17 5.980 -10.051 9.567 1.00 0.00 O ATOM 237 CB VAL A 17 6.748 -10.454 6.507 1.00 0.00 C ATOM 238 CG1 VAL A 17 5.896 -11.686 6.231 1.00 0.00 C ATOM 239 CG2 VAL A 17 7.306 -9.894 5.209 1.00 0.00 C ATOM 0 H VAL A 17 7.079 -8.203 8.557 1.00 0.00 H new ATOM 0 HA VAL A 17 5.132 -9.028 6.610 1.00 0.00 H new ATOM 0 HB VAL A 17 7.583 -10.750 7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.492 -12.429 5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.548 -12.107 7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.038 -11.406 5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.877 -10.667 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.485 -9.565 4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.957 -9.048 5.428 1.00 0.00 H new ATOM 249 N GLY A 18 4.096 -10.462 8.407 1.00 0.00 N ATOM 250 CA GLY A 18 3.418 -11.067 9.540 1.00 0.00 C ATOM 251 C GLY A 18 2.102 -11.703 9.140 1.00 0.00 C ATOM 252 O GLY A 18 1.957 -12.184 8.018 1.00 0.00 O ATOM 0 H GLY A 18 3.546 -10.429 7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.064 -11.822 9.988 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.238 -10.309 10.302 1.00 0.00 H new ATOM 370 N ARG A 28 12.456 -6.401 7.785 1.00 0.00 N ATOM 371 CA ARG A 28 12.691 -6.637 6.364 1.00 0.00 C ATOM 372 C ARG A 28 13.460 -5.481 5.728 1.00 0.00 C ATOM 373 O ARG A 28 14.515 -5.688 5.127 1.00 0.00 O ATOM 374 CB ARG A 28 11.364 -6.844 5.634 1.00 0.00 C ATOM 375 CG ARG A 28 10.543 -8.013 6.163 1.00 0.00 C ATOM 376 CD ARG A 28 11.277 -9.338 6.024 1.00 0.00 C ATOM 377 NE ARG A 28 12.372 -9.470 6.983 1.00 0.00 N ATOM 378 CZ ARG A 28 13.186 -10.521 7.039 1.00 0.00 C ATOM 379 NH1 ARG A 28 13.039 -11.530 6.189 1.00 0.00 N ATOM 380 NH2 ARG A 28 14.151 -10.565 7.950 1.00 0.00 N ATOM 0 HA ARG A 28 13.296 -7.539 6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.772 -5.932 5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.565 -7.004 4.575 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.302 -7.841 7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.597 -8.065 5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.572 -10.157 6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.671 -9.428 5.012 1.00 0.00 H new ATOM 0 HE ARG A 28 12.521 -8.712 7.649 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.299 -11.502 5.488 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.666 -12.333 6.237 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.268 -9.793 8.607 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.775 -11.371 7.993 1.00 0.00 H new ATOM 394 N GLY A 29 12.935 -4.267 5.860 1.00 0.00 N ATOM 395 CA GLY A 29 13.603 -3.113 5.287 1.00 0.00 C ATOM 396 C GLY A 29 12.748 -1.859 5.303 1.00 0.00 C ATOM 397 O GLY A 29 12.048 -1.587 6.278 1.00 0.00 O ATOM 0 H GLY A 29 12.064 -4.062 6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.524 -2.924 5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.887 -3.339 4.259 1.00 0.00 H new ATOM 401 N TYR A 30 12.816 -1.091 4.219 1.00 0.00 N ATOM 402 CA TYR A 30 12.055 0.149 4.099 1.00 0.00 C ATOM 403 C TYR A 30 12.324 0.822 2.756 1.00 0.00 C ATOM 404 O TYR A 30 13.399 0.661 2.177 1.00 0.00 O ATOM 405 CB TYR A 30 12.404 1.100 5.248 1.00 0.00 C ATOM 406 CG TYR A 30 13.881 1.414 5.361 1.00 0.00 C ATOM 407 CD1 TYR A 30 14.555 2.083 4.345 1.00 0.00 C ATOM 408 CD2 TYR A 30 14.600 1.045 6.490 1.00 0.00 C ATOM 409 CE1 TYR A 30 15.903 2.372 4.453 1.00 0.00 C ATOM 410 CE2 TYR A 30 15.948 1.330 6.605 1.00 0.00 C ATOM 411 CZ TYR A 30 16.594 1.992 5.584 1.00 0.00 C ATOM 412 OH TYR A 30 17.935 2.277 5.693 1.00 0.00 O ATOM 0 H TYR A 30 13.394 -1.307 3.407 1.00 0.00 H new ATOM 0 HA TYR A 30 10.994 -0.095 4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 30 11.854 2.032 5.115 1.00 0.00 H new ATOM 0 HB3 TYR A 30 12.064 0.661 6.186 1.00 0.00 H new ATOM 0 HD1 TYR A 30 14.017 2.382 3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 30 14.097 0.526 7.293 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.412 2.893 3.655 1.00 0.00 H new ATOM 0 HE2 TYR A 30 16.492 1.035 7.490 1.00 0.00 H new ATOM 0 HH TYR A 30 18.272 1.943 6.551 1.00 0.00 H new ATOM 422 N LEU A 31 11.346 1.574 2.261 1.00 0.00 N ATOM 423 CA LEU A 31 11.490 2.266 0.982 1.00 0.00 C ATOM 424 C LEU A 31 11.018 3.714 1.078 1.00 0.00 C ATOM 425 O LEU A 31 9.970 4.002 1.655 1.00 0.00 O ATOM 426 CB LEU A 31 10.713 1.539 -0.120 1.00 0.00 C ATOM 427 CG LEU A 31 9.205 1.406 0.112 1.00 0.00 C ATOM 428 CD1 LEU A 31 8.520 0.884 -1.141 1.00 0.00 C ATOM 429 CD2 LEU A 31 8.923 0.486 1.291 1.00 0.00 C ATOM 0 H LEU A 31 10.448 1.720 2.723 1.00 0.00 H new ATOM 0 HA LEU A 31 12.550 2.265 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.873 2.066 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.134 0.541 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 31 8.805 2.393 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.449 0.795 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.692 1.576 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.927 -0.094 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.846 0.405 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.337 -0.502 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.383 0.895 2.190 1.00 0.00 H new ATOM 441 N VAL A 32 11.799 4.619 0.496 1.00 0.00 N ATOM 442 CA VAL A 32 11.471 6.039 0.498 1.00 0.00 C ATOM 443 C VAL A 32 10.365 6.339 -0.509 1.00 0.00 C ATOM 444 O VAL A 32 10.170 5.594 -1.467 1.00 0.00 O ATOM 445 CB VAL A 32 12.706 6.903 0.165 1.00 0.00 C ATOM 446 CG1 VAL A 32 12.362 8.384 0.233 1.00 0.00 C ATOM 447 CG2 VAL A 32 13.856 6.571 1.103 1.00 0.00 C ATOM 0 H VAL A 32 12.669 4.391 0.014 1.00 0.00 H new ATOM 0 HA VAL A 32 11.127 6.288 1.502 1.00 0.00 H new ATOM 0 HB VAL A 32 13.020 6.676 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.247 8.974 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.573 8.608 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.020 8.632 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.719 7.189 0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.554 6.766 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.121 5.519 0.996 1.00 0.00 H new ATOM 457 N ARG A 33 9.638 7.432 -0.285 1.00 0.00 N ATOM 458 CA ARG A 33 8.549 7.826 -1.178 1.00 0.00 C ATOM 459 C ARG A 33 9.016 7.876 -2.631 1.00 0.00 C ATOM 460 O ARG A 33 10.183 8.152 -2.909 1.00 0.00 O ATOM 461 CB ARG A 33 7.992 9.194 -0.776 1.00 0.00 C ATOM 462 CG ARG A 33 7.600 9.290 0.688 1.00 0.00 C ATOM 463 CD ARG A 33 6.871 10.591 0.983 1.00 0.00 C ATOM 464 NE ARG A 33 5.660 10.734 0.179 1.00 0.00 N ATOM 465 CZ ARG A 33 4.846 11.784 0.246 1.00 0.00 C ATOM 466 NH1 ARG A 33 5.109 12.786 1.077 1.00 0.00 N ATOM 467 NH2 ARG A 33 3.765 11.834 -0.522 1.00 0.00 N ATOM 0 H ARG A 33 9.783 8.060 0.506 1.00 0.00 H new ATOM 0 HA ARG A 33 7.764 7.075 -1.089 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.738 9.958 -0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.120 9.416 -1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.962 8.446 0.952 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.492 9.222 1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.610 10.629 2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.537 11.432 0.788 1.00 0.00 H new ATOM 0 HE ARG A 33 5.425 9.985 -0.472 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.939 12.753 1.669 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.481 13.588 1.124 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.559 11.068 -1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.140 12.639 -0.471 1.00 0.00 H new ATOM 481 N LYS A 34 8.095 7.612 -3.552 1.00 0.00 N ATOM 482 CA LYS A 34 8.407 7.633 -4.979 1.00 0.00 C ATOM 483 C LYS A 34 7.185 8.084 -5.782 1.00 0.00 C ATOM 484 O LYS A 34 6.316 8.775 -5.253 1.00 0.00 O ATOM 485 CB LYS A 34 8.867 6.245 -5.434 1.00 0.00 C ATOM 486 CG LYS A 34 10.018 5.686 -4.614 1.00 0.00 C ATOM 487 CD LYS A 34 10.441 4.311 -5.108 1.00 0.00 C ATOM 488 CE LYS A 34 11.594 3.755 -4.288 1.00 0.00 C ATOM 489 NZ LYS A 34 11.234 3.613 -2.851 1.00 0.00 N ATOM 0 H LYS A 34 7.125 7.381 -3.337 1.00 0.00 H new ATOM 0 HA LYS A 34 9.215 8.343 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.024 5.556 -5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.169 6.296 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.867 6.368 -4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.722 5.622 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.593 3.628 -5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.735 4.374 -6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.888 2.784 -4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.458 4.413 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.008 3.138 -2.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.077 4.554 -2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.365 3.048 -2.765 1.00 0.00 H new ATOM 503 N THR A 35 7.114 7.694 -7.054 1.00 0.00 N ATOM 504 CA THR A 35 5.984 8.074 -7.897 1.00 0.00 C ATOM 505 C THR A 35 4.948 6.948 -7.943 1.00 0.00 C ATOM 506 O THR A 35 4.918 6.090 -7.061 1.00 0.00 O ATOM 507 CB THR A 35 6.441 8.414 -9.328 1.00 0.00 C ATOM 508 OG1 THR A 35 7.765 8.953 -9.306 1.00 0.00 O ATOM 509 CG2 THR A 35 5.504 9.423 -9.973 1.00 0.00 C ATOM 0 H THR A 35 7.818 7.121 -7.519 1.00 0.00 H new ATOM 0 HA THR A 35 5.532 8.964 -7.459 1.00 0.00 H new ATOM 0 HB THR A 35 6.426 7.494 -9.912 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.289 8.563 -10.036 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.849 9.646 -10.983 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.497 9.008 -10.017 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.494 10.339 -9.382 1.00 0.00 H new ATOM 517 N LEU A 36 4.108 6.941 -8.976 1.00 0.00 N ATOM 518 CA LEU A 36 3.091 5.912 -9.118 1.00 0.00 C ATOM 519 C LEU A 36 3.697 4.592 -9.579 1.00 0.00 C ATOM 520 O LEU A 36 3.511 3.562 -8.939 1.00 0.00 O ATOM 521 CB LEU A 36 2.016 6.356 -10.117 1.00 0.00 C ATOM 522 CG LEU A 36 1.145 7.535 -9.670 1.00 0.00 C ATOM 523 CD1 LEU A 36 0.355 7.172 -8.423 1.00 0.00 C ATOM 524 CD2 LEU A 36 1.999 8.771 -9.425 1.00 0.00 C ATOM 0 H LEU A 36 4.115 7.636 -9.723 1.00 0.00 H new ATOM 0 HA LEU A 36 2.638 5.762 -8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.504 6.623 -11.054 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.366 5.506 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 36 0.439 7.762 -10.469 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.258 8.021 -8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.288 6.318 -8.636 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.044 6.916 -7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.362 9.597 -9.109 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.731 8.559 -8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.516 9.044 -10.345 1.00 0.00 H new ATOM 536 N GLU A 37 4.409 4.629 -10.704 1.00 0.00 N ATOM 537 CA GLU A 37 5.021 3.425 -11.259 1.00 0.00 C ATOM 538 C GLU A 37 6.189 2.934 -10.409 1.00 0.00 C ATOM 539 O GLU A 37 6.376 1.729 -10.247 1.00 0.00 O ATOM 540 CB GLU A 37 5.483 3.655 -12.705 1.00 0.00 C ATOM 541 CG GLU A 37 6.716 4.537 -12.848 1.00 0.00 C ATOM 542 CD GLU A 37 6.473 5.976 -12.441 1.00 0.00 C ATOM 543 OE1 GLU A 37 5.540 6.598 -12.990 1.00 0.00 O ATOM 544 OE2 GLU A 37 7.223 6.483 -11.583 1.00 0.00 O ATOM 0 H GLU A 37 4.575 5.476 -11.247 1.00 0.00 H new ATOM 0 HA GLU A 37 4.253 2.651 -11.254 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.690 2.688 -13.164 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.664 4.105 -13.266 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.521 4.125 -12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.054 4.512 -13.884 1.00 0.00 H new ATOM 551 N GLU A 38 6.979 3.860 -9.874 1.00 0.00 N ATOM 552 CA GLU A 38 8.133 3.479 -9.057 1.00 0.00 C ATOM 553 C GLU A 38 7.699 2.626 -7.875 1.00 0.00 C ATOM 554 O GLU A 38 8.190 1.514 -7.681 1.00 0.00 O ATOM 555 CB GLU A 38 8.870 4.709 -8.524 1.00 0.00 C ATOM 556 CG GLU A 38 8.874 5.881 -9.478 1.00 0.00 C ATOM 557 CD GLU A 38 9.884 6.948 -9.094 1.00 0.00 C ATOM 558 OE1 GLU A 38 10.593 6.761 -8.084 1.00 0.00 O ATOM 559 OE2 GLU A 38 9.969 7.969 -9.809 1.00 0.00 O ATOM 0 H GLU A 38 6.847 4.865 -9.987 1.00 0.00 H new ATOM 0 HA GLU A 38 8.803 2.909 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.409 5.018 -7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.900 4.434 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.094 5.524 -10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.878 6.323 -9.507 1.00 0.00 H new ATOM 566 N ASP A 39 6.780 3.164 -7.083 1.00 0.00 N ATOM 567 CA ASP A 39 6.283 2.454 -5.904 1.00 0.00 C ATOM 568 C ASP A 39 5.767 1.060 -6.257 1.00 0.00 C ATOM 569 O ASP A 39 6.029 0.096 -5.537 1.00 0.00 O ATOM 570 CB ASP A 39 5.189 3.265 -5.209 1.00 0.00 C ATOM 571 CG ASP A 39 5.750 4.453 -4.449 1.00 0.00 C ATOM 572 OD1 ASP A 39 6.579 4.236 -3.541 1.00 0.00 O ATOM 573 OD2 ASP A 39 5.360 5.596 -4.759 1.00 0.00 O ATOM 0 H ASP A 39 6.364 4.083 -7.231 1.00 0.00 H new ATOM 0 HA ASP A 39 7.122 2.333 -5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.473 3.617 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.643 2.620 -4.520 1.00 0.00 H new ATOM 578 N VAL A 40 5.037 0.949 -7.364 1.00 0.00 N ATOM 579 CA VAL A 40 4.498 -0.342 -7.792 1.00 0.00 C ATOM 580 C VAL A 40 5.622 -1.338 -8.010 1.00 0.00 C ATOM 581 O VAL A 40 5.640 -2.421 -7.429 1.00 0.00 O ATOM 582 CB VAL A 40 3.722 -0.233 -9.117 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.893 -1.483 -9.366 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.861 1.011 -9.143 1.00 0.00 C ATOM 0 H VAL A 40 4.806 1.730 -7.978 1.00 0.00 H new ATOM 0 HA VAL A 40 3.825 -0.672 -7.000 1.00 0.00 H new ATOM 0 HB VAL A 40 4.448 -0.149 -9.926 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.354 -1.381 -10.308 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.550 -2.351 -9.416 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.179 -1.614 -8.553 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.324 1.062 -10.090 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.145 0.975 -8.322 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.493 1.893 -9.036 1.00 0.00 H new ATOM 594 N GLU A 41 6.555 -0.950 -8.868 1.00 0.00 N ATOM 595 CA GLU A 41 7.702 -1.793 -9.196 1.00 0.00 C ATOM 596 C GLU A 41 8.417 -2.276 -7.937 1.00 0.00 C ATOM 597 O GLU A 41 8.736 -3.459 -7.811 1.00 0.00 O ATOM 598 CB GLU A 41 8.681 -1.032 -10.093 1.00 0.00 C ATOM 599 CG GLU A 41 8.099 -0.648 -11.444 1.00 0.00 C ATOM 600 CD GLU A 41 7.675 -1.854 -12.261 1.00 0.00 C ATOM 601 OE1 GLU A 41 8.542 -2.699 -12.566 1.00 0.00 O ATOM 602 OE2 GLU A 41 6.476 -1.954 -12.594 1.00 0.00 O ATOM 0 H GLU A 41 6.542 -0.053 -9.353 1.00 0.00 H new ATOM 0 HA GLU A 41 7.330 -2.667 -9.730 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.006 -0.128 -9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.568 -1.646 -10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.239 0.004 -11.293 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.838 -0.076 -12.005 1.00 0.00 H new ATOM 609 N ALA A 42 8.669 -1.359 -7.009 1.00 0.00 N ATOM 610 CA ALA A 42 9.345 -1.702 -5.765 1.00 0.00 C ATOM 611 C ALA A 42 8.522 -2.693 -4.948 1.00 0.00 C ATOM 612 O ALA A 42 9.037 -3.705 -4.474 1.00 0.00 O ATOM 613 CB ALA A 42 9.624 -0.445 -4.952 1.00 0.00 C ATOM 0 H ALA A 42 8.416 -0.375 -7.095 1.00 0.00 H new ATOM 0 HA ALA A 42 10.294 -2.178 -6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.129 -0.716 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.259 0.228 -5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.683 0.054 -4.720 1.00 0.00 H new ATOM 619 N LEU A 43 7.237 -2.392 -4.790 1.00 0.00 N ATOM 620 CA LEU A 43 6.332 -3.249 -4.033 1.00 0.00 C ATOM 621 C LEU A 43 6.144 -4.600 -4.716 1.00 0.00 C ATOM 622 O LEU A 43 6.228 -5.645 -4.072 1.00 0.00 O ATOM 623 CB LEU A 43 4.979 -2.557 -3.862 1.00 0.00 C ATOM 624 CG LEU A 43 4.994 -1.338 -2.938 1.00 0.00 C ATOM 625 CD1 LEU A 43 3.714 -0.533 -3.097 1.00 0.00 C ATOM 626 CD2 LEU A 43 5.170 -1.778 -1.494 1.00 0.00 C ATOM 0 H LEU A 43 6.798 -1.557 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 43 6.776 -3.426 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.619 -2.247 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.263 -3.281 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 43 5.835 -0.702 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.742 0.330 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.623 -0.194 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.857 -1.158 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.179 -0.902 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.345 -2.431 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.112 -2.316 -1.390 1.00 0.00 H new ATOM 638 N LEU A 44 5.896 -4.572 -6.020 1.00 0.00 N ATOM 639 CA LEU A 44 5.702 -5.799 -6.783 1.00 0.00 C ATOM 640 C LEU A 44 6.931 -6.692 -6.698 1.00 0.00 C ATOM 641 O LEU A 44 6.825 -7.885 -6.421 1.00 0.00 O ATOM 642 CB LEU A 44 5.391 -5.475 -8.244 1.00 0.00 C ATOM 643 CG LEU A 44 4.038 -4.807 -8.480 1.00 0.00 C ATOM 644 CD1 LEU A 44 3.835 -4.523 -9.960 1.00 0.00 C ATOM 645 CD2 LEU A 44 2.919 -5.688 -7.942 1.00 0.00 C ATOM 0 H LEU A 44 5.825 -3.716 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 44 4.856 -6.334 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.174 -4.823 -8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.430 -6.398 -8.822 1.00 0.00 H new ATOM 0 HG LEU A 44 4.018 -3.857 -7.947 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.866 -4.047 -10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.624 -3.860 -10.315 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.870 -5.459 -10.518 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.959 -5.203 -8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.936 -6.651 -8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.060 -5.842 -6.872 1.00 0.00 H new ATOM 657 N ASP A 45 8.100 -6.105 -6.928 1.00 0.00 N ATOM 658 CA ASP A 45 9.351 -6.850 -6.871 1.00 0.00 C ATOM 659 C ASP A 45 9.444 -7.650 -5.575 1.00 0.00 C ATOM 660 O ASP A 45 9.944 -8.773 -5.563 1.00 0.00 O ATOM 661 CB ASP A 45 10.543 -5.895 -6.986 1.00 0.00 C ATOM 662 CG ASP A 45 11.874 -6.623 -6.955 1.00 0.00 C ATOM 663 OD1 ASP A 45 12.108 -7.471 -7.840 1.00 0.00 O ATOM 664 OD2 ASP A 45 12.681 -6.344 -6.042 1.00 0.00 O ATOM 0 H ASP A 45 8.207 -5.116 -7.155 1.00 0.00 H new ATOM 0 HA ASP A 45 9.373 -7.546 -7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.463 -5.329 -7.914 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.507 -5.174 -6.169 1.00 0.00 H new ATOM 669 N PHE A 46 8.960 -7.062 -4.488 1.00 0.00 N ATOM 670 CA PHE A 46 8.990 -7.720 -3.187 1.00 0.00 C ATOM 671 C PHE A 46 7.897 -8.783 -3.075 1.00 0.00 C ATOM 672 O PHE A 46 8.140 -9.882 -2.578 1.00 0.00 O ATOM 673 CB PHE A 46 8.827 -6.687 -2.069 1.00 0.00 C ATOM 674 CG PHE A 46 8.866 -7.283 -0.690 1.00 0.00 C ATOM 675 CD1 PHE A 46 9.827 -8.223 -0.354 1.00 0.00 C ATOM 676 CD2 PHE A 46 7.940 -6.904 0.268 1.00 0.00 C ATOM 677 CE1 PHE A 46 9.864 -8.772 0.914 1.00 0.00 C ATOM 678 CE2 PHE A 46 7.972 -7.449 1.536 1.00 0.00 C ATOM 679 CZ PHE A 46 8.935 -8.385 1.860 1.00 0.00 C ATOM 0 H PHE A 46 8.542 -6.131 -4.481 1.00 0.00 H new ATOM 0 HA PHE A 46 9.956 -8.214 -3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 46 9.617 -5.942 -2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.880 -6.165 -2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.555 -8.530 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.184 -6.174 0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.619 -9.503 1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.245 -7.144 2.274 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.961 -8.813 2.851 1.00 0.00 H new ATOM 689 N VAL A 47 6.694 -8.445 -3.526 1.00 0.00 N ATOM 690 CA VAL A 47 5.559 -9.364 -3.459 1.00 0.00 C ATOM 691 C VAL A 47 5.848 -10.689 -4.167 1.00 0.00 C ATOM 692 O VAL A 47 5.688 -11.760 -3.579 1.00 0.00 O ATOM 693 CB VAL A 47 4.292 -8.724 -4.066 1.00 0.00 C ATOM 694 CG1 VAL A 47 3.109 -9.678 -3.990 1.00 0.00 C ATOM 695 CG2 VAL A 47 3.972 -7.412 -3.363 1.00 0.00 C ATOM 0 H VAL A 47 6.477 -7.540 -3.943 1.00 0.00 H new ATOM 0 HA VAL A 47 5.390 -9.571 -2.402 1.00 0.00 H new ATOM 0 HB VAL A 47 4.486 -8.515 -5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.230 -9.202 -4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.340 -10.588 -4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.909 -9.927 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.076 -6.973 -3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.802 -7.599 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.809 -6.723 -3.480 1.00 0.00 H new ATOM 705 N ARG A 48 6.261 -10.617 -5.428 1.00 0.00 N ATOM 706 CA ARG A 48 6.556 -11.827 -6.202 1.00 0.00 C ATOM 707 C ARG A 48 7.826 -12.521 -5.720 1.00 0.00 C ATOM 708 O ARG A 48 7.792 -13.678 -5.301 1.00 0.00 O ATOM 709 CB ARG A 48 6.683 -11.519 -7.702 1.00 0.00 C ATOM 710 CG ARG A 48 7.036 -10.079 -8.034 1.00 0.00 C ATOM 711 CD ARG A 48 7.336 -9.907 -9.515 1.00 0.00 C ATOM 712 NE ARG A 48 6.227 -10.351 -10.358 1.00 0.00 N ATOM 713 CZ ARG A 48 5.032 -9.763 -10.389 1.00 0.00 C ATOM 714 NH1 ARG A 48 4.797 -8.682 -9.659 1.00 0.00 N ATOM 715 NH2 ARG A 48 4.075 -10.252 -11.165 1.00 0.00 N ATOM 0 H ARG A 48 6.400 -9.744 -5.936 1.00 0.00 H new ATOM 0 HA ARG A 48 5.713 -12.500 -6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.445 -12.172 -8.128 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.741 -11.768 -8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.211 -9.426 -7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.902 -9.771 -7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.550 -8.858 -9.721 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.233 -10.471 -9.770 1.00 0.00 H new ATOM 0 HE ARG A 48 6.378 -11.161 -10.959 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.533 -8.295 -9.069 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.880 -8.237 -9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.254 -11.077 -11.737 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.159 -9.803 -11.190 1.00 0.00 H new ATOM 729 N ARG A 49 8.946 -11.814 -5.797 1.00 0.00 N ATOM 730 CA ARG A 49 10.236 -12.368 -5.386 1.00 0.00 C ATOM 731 C ARG A 49 10.161 -13.008 -4.000 1.00 0.00 C ATOM 732 O ARG A 49 10.586 -14.148 -3.812 1.00 0.00 O ATOM 733 CB ARG A 49 11.308 -11.276 -5.396 1.00 0.00 C ATOM 734 CG ARG A 49 11.521 -10.645 -6.764 1.00 0.00 C ATOM 735 CD ARG A 49 11.974 -11.674 -7.787 1.00 0.00 C ATOM 736 NE ARG A 49 13.243 -12.294 -7.414 1.00 0.00 N ATOM 737 CZ ARG A 49 13.857 -13.220 -8.147 1.00 0.00 C ATOM 738 NH1 ARG A 49 13.323 -13.634 -9.290 1.00 0.00 N ATOM 739 NH2 ARG A 49 15.009 -13.731 -7.736 1.00 0.00 N ATOM 0 H ARG A 49 8.990 -10.855 -6.140 1.00 0.00 H new ATOM 0 HA ARG A 49 10.502 -13.146 -6.101 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.029 -10.498 -4.686 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.250 -11.700 -5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.594 -10.180 -7.100 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.266 -9.853 -6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.210 -12.445 -7.889 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.076 -11.196 -8.761 1.00 0.00 H new ATOM 0 HE ARG A 49 13.684 -12.001 -6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.438 -13.242 -9.611 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.798 -14.344 -9.847 1.00 0.00 H new ATOM 0 HH21 ARG A 49 15.423 -13.415 -6.859 1.00 0.00 H new ATOM 0 HH22 ARG A 49 15.481 -14.441 -8.296 1.00 0.00 H new ATOM 753 N GLU A 50 9.622 -12.274 -3.032 1.00 0.00 N ATOM 754 CA GLU A 50 9.498 -12.783 -1.668 1.00 0.00 C ATOM 755 C GLU A 50 8.378 -13.819 -1.560 1.00 0.00 C ATOM 756 O GLU A 50 8.254 -14.505 -0.545 1.00 0.00 O ATOM 757 CB GLU A 50 9.241 -11.637 -0.688 1.00 0.00 C ATOM 758 CG GLU A 50 9.220 -12.076 0.767 1.00 0.00 C ATOM 759 CD GLU A 50 10.530 -12.700 1.206 1.00 0.00 C ATOM 760 OE1 GLU A 50 11.569 -12.009 1.139 1.00 0.00 O ATOM 761 OE2 GLU A 50 10.518 -13.879 1.619 1.00 0.00 O ATOM 0 H GLU A 50 9.265 -11.328 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 50 10.440 -13.268 -1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.012 -10.878 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.288 -11.168 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.002 -11.215 1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.413 -12.793 0.915 1.00 0.00 H new ATOM 768 N GLY A 51 7.566 -13.930 -2.609 1.00 0.00 N ATOM 769 CA GLY A 51 6.473 -14.885 -2.603 1.00 0.00 C ATOM 770 C GLY A 51 5.468 -14.612 -1.501 1.00 0.00 C ATOM 771 O GLY A 51 4.960 -15.540 -0.871 1.00 0.00 O ATOM 0 H GLY A 51 7.646 -13.376 -3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.966 -14.858 -3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.875 -15.891 -2.483 1.00 0.00 H new ATOM 775 N LEU A 52 5.179 -13.336 -1.270 1.00 0.00 N ATOM 776 CA LEU A 52 4.226 -12.942 -0.239 1.00 0.00 C ATOM 777 C LEU A 52 2.795 -13.211 -0.686 1.00 0.00 C ATOM 778 O LEU A 52 2.008 -13.810 0.045 1.00 0.00 O ATOM 779 CB LEU A 52 4.394 -11.461 0.106 1.00 0.00 C ATOM 780 CG LEU A 52 5.773 -11.073 0.643 1.00 0.00 C ATOM 781 CD1 LEU A 52 5.833 -9.579 0.929 1.00 0.00 C ATOM 782 CD2 LEU A 52 6.101 -11.872 1.894 1.00 0.00 C ATOM 0 H LEU A 52 5.591 -12.557 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 52 4.428 -13.540 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.189 -10.870 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.643 -11.189 0.847 1.00 0.00 H new ATOM 0 HG LEU A 52 6.518 -11.306 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.821 -9.321 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.642 -9.025 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.079 -9.320 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.085 -11.583 2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.353 -11.671 2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.100 -12.936 1.657 1.00 0.00 H new ATOM 794 N GLY A 53 2.466 -12.761 -1.892 1.00 0.00 N ATOM 795 CA GLY A 53 1.128 -12.958 -2.416 1.00 0.00 C ATOM 796 C GLY A 53 0.058 -12.422 -1.484 1.00 0.00 C ATOM 797 O GLY A 53 -1.078 -12.896 -1.497 1.00 0.00 O ATOM 0 H GLY A 53 3.102 -12.264 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.043 -12.464 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.960 -14.022 -2.585 1.00 0.00 H new ATOM 801 N LYS A 54 0.428 -11.429 -0.680 1.00 0.00 N ATOM 802 CA LYS A 54 -0.494 -10.810 0.270 1.00 0.00 C ATOM 803 C LYS A 54 0.067 -9.483 0.762 1.00 0.00 C ATOM 804 O LYS A 54 1.229 -9.406 1.155 1.00 0.00 O ATOM 805 CB LYS A 54 -0.727 -11.726 1.473 1.00 0.00 C ATOM 806 CG LYS A 54 -1.332 -13.077 1.122 1.00 0.00 C ATOM 807 CD LYS A 54 -1.701 -13.865 2.369 1.00 0.00 C ATOM 808 CE LYS A 54 -2.311 -15.210 2.013 1.00 0.00 C ATOM 809 NZ LYS A 54 -3.550 -15.062 1.200 1.00 0.00 N ATOM 0 H LYS A 54 1.368 -11.033 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.441 -10.642 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.223 -11.888 1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.384 -11.219 2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.220 -12.930 0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.623 -13.650 0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.812 -14.017 2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.407 -13.291 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.583 -15.803 1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.540 -15.758 2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.061 -15.967 1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.158 -14.332 1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.298 -14.783 0.230 1.00 0.00 H new ATOM 823 N LEU A 55 -0.755 -8.440 0.741 1.00 0.00 N ATOM 824 CA LEU A 55 -0.312 -7.126 1.189 1.00 0.00 C ATOM 825 C LEU A 55 -1.396 -6.404 1.983 1.00 0.00 C ATOM 826 O LEU A 55 -2.546 -6.313 1.553 1.00 0.00 O ATOM 827 CB LEU A 55 0.115 -6.266 -0.005 1.00 0.00 C ATOM 828 CG LEU A 55 1.273 -6.824 -0.842 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.442 -7.225 0.047 1.00 0.00 C ATOM 830 CD2 LEU A 55 0.807 -8.004 -1.687 1.00 0.00 C ATOM 0 H LEU A 55 -1.723 -8.478 0.422 1.00 0.00 H new ATOM 0 HA LEU A 55 0.543 -7.280 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.747 -6.127 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.398 -5.280 0.363 1.00 0.00 H new ATOM 0 HG LEU A 55 1.615 -6.037 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.250 -7.618 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.796 -6.353 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.118 -7.992 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.644 -8.385 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.432 -8.793 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.012 -7.679 -2.358 1.00 0.00 H new ATOM 842 N VAL A 56 -1.009 -5.882 3.144 1.00 0.00 N ATOM 843 CA VAL A 56 -1.929 -5.152 4.005 1.00 0.00 C ATOM 844 C VAL A 56 -1.458 -3.712 4.191 1.00 0.00 C ATOM 845 O VAL A 56 -0.327 -3.469 4.610 1.00 0.00 O ATOM 846 CB VAL A 56 -2.063 -5.826 5.385 1.00 0.00 C ATOM 847 CG1 VAL A 56 -0.722 -5.858 6.102 1.00 0.00 C ATOM 848 CG2 VAL A 56 -3.113 -5.117 6.230 1.00 0.00 C ATOM 0 H VAL A 56 -0.059 -5.953 3.510 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.904 -5.158 3.518 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.389 -6.855 5.232 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.840 -6.338 7.074 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.003 -6.420 5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.360 -4.839 6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.192 -5.608 7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.823 -4.076 6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.077 -5.158 5.723 1.00 0.00 H new ATOM 858 N VAL A 57 -2.328 -2.764 3.866 1.00 0.00 N ATOM 859 CA VAL A 57 -1.993 -1.350 3.987 1.00 0.00 C ATOM 860 C VAL A 57 -2.096 -0.872 5.433 1.00 0.00 C ATOM 861 O VAL A 57 -3.116 -1.068 6.094 1.00 0.00 O ATOM 862 CB VAL A 57 -2.909 -0.484 3.103 1.00 0.00 C ATOM 863 CG1 VAL A 57 -2.496 0.980 3.168 1.00 0.00 C ATOM 864 CG2 VAL A 57 -2.895 -0.988 1.668 1.00 0.00 C ATOM 0 H VAL A 57 -3.269 -2.947 3.517 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.962 -1.241 3.652 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.928 -0.563 3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.157 1.573 2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.566 1.332 4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.469 1.084 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.548 -0.365 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.879 -0.942 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.248 -2.019 1.641 1.00 0.00 H new ATOM 1094 N LYS A 73 0.796 7.173 -3.256 1.00 0.00 N ATOM 1095 CA LYS A 73 1.380 6.247 -4.221 1.00 0.00 C ATOM 1096 C LYS A 73 1.249 4.803 -3.739 1.00 0.00 C ATOM 1097 O LYS A 73 1.984 3.923 -4.187 1.00 0.00 O ATOM 1098 CB LYS A 73 2.856 6.581 -4.446 1.00 0.00 C ATOM 1099 CG LYS A 73 3.136 8.050 -4.743 1.00 0.00 C ATOM 1100 CD LYS A 73 2.489 8.515 -6.041 1.00 0.00 C ATOM 1101 CE LYS A 73 1.041 8.937 -5.838 1.00 0.00 C ATOM 1102 NZ LYS A 73 0.917 10.023 -4.828 1.00 0.00 N ATOM 0 HA LYS A 73 0.838 6.351 -5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.420 6.289 -3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.229 5.979 -5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.769 8.661 -3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.213 8.207 -4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.056 9.351 -6.449 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.533 7.711 -6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.625 9.274 -6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.453 8.076 -5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.047 10.565 -5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.877 9.608 -3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.739 10.656 -4.896 1.00 0.00 H new ATOM 1116 N VAL A 74 0.310 4.563 -2.828 1.00 0.00 N ATOM 1117 CA VAL A 74 0.087 3.225 -2.291 1.00 0.00 C ATOM 1118 C VAL A 74 -1.111 2.555 -2.960 1.00 0.00 C ATOM 1119 O VAL A 74 -1.057 1.380 -3.323 1.00 0.00 O ATOM 1120 CB VAL A 74 -0.141 3.263 -0.766 1.00 0.00 C ATOM 1121 CG1 VAL A 74 -0.313 1.855 -0.211 1.00 0.00 C ATOM 1122 CG2 VAL A 74 1.009 3.980 -0.071 1.00 0.00 C ATOM 0 H VAL A 74 -0.309 5.278 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 74 0.986 2.645 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.058 3.818 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.473 1.905 0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.173 1.380 -0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.583 1.270 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.831 3.997 1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.942 3.455 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.079 5.002 -0.443 1.00 0.00 H new ATOM 1132 N LEU A 75 -2.192 3.313 -3.113 1.00 0.00 N ATOM 1133 CA LEU A 75 -3.414 2.806 -3.729 1.00 0.00 C ATOM 1134 C LEU A 75 -3.142 2.205 -5.110 1.00 0.00 C ATOM 1135 O LEU A 75 -3.577 1.091 -5.398 1.00 0.00 O ATOM 1136 CB LEU A 75 -4.452 3.930 -3.835 1.00 0.00 C ATOM 1137 CG LEU A 75 -5.851 3.500 -4.290 1.00 0.00 C ATOM 1138 CD1 LEU A 75 -5.833 3.032 -5.738 1.00 0.00 C ATOM 1139 CD2 LEU A 75 -6.388 2.403 -3.383 1.00 0.00 C ATOM 0 H LEU A 75 -2.247 4.287 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.805 2.011 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.539 4.413 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.078 4.681 -4.531 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.512 4.364 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.838 2.732 -6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.492 3.845 -6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.157 2.183 -5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.382 2.108 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.722 1.541 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.445 2.773 -2.359 1.00 0.00 H new ATOM 1151 N PRO A 76 -2.426 2.931 -5.992 1.00 0.00 N ATOM 1152 CA PRO A 76 -2.118 2.452 -7.341 1.00 0.00 C ATOM 1153 C PRO A 76 -1.604 1.015 -7.350 1.00 0.00 C ATOM 1154 O PRO A 76 -1.967 0.224 -8.221 1.00 0.00 O ATOM 1155 CB PRO A 76 -1.032 3.418 -7.843 1.00 0.00 C ATOM 1156 CG PRO A 76 -0.677 4.284 -6.676 1.00 0.00 C ATOM 1157 CD PRO A 76 -1.869 4.270 -5.763 1.00 0.00 C ATOM 0 HA PRO A 76 -3.008 2.437 -7.970 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.160 2.872 -8.203 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.398 4.018 -8.676 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.208 3.905 -6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.448 5.299 -7.000 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.585 4.419 -4.721 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.582 5.055 -6.014 1.00 0.00 H new ATOM 1165 N LEU A 77 -0.764 0.680 -6.378 1.00 0.00 N ATOM 1166 CA LEU A 77 -0.212 -0.667 -6.283 1.00 0.00 C ATOM 1167 C LEU A 77 -1.278 -1.662 -5.836 1.00 0.00 C ATOM 1168 O LEU A 77 -1.319 -2.796 -6.311 1.00 0.00 O ATOM 1169 CB LEU A 77 0.984 -0.697 -5.325 1.00 0.00 C ATOM 1170 CG LEU A 77 1.612 -2.078 -5.094 1.00 0.00 C ATOM 1171 CD1 LEU A 77 0.743 -2.921 -4.173 1.00 0.00 C ATOM 1172 CD2 LEU A 77 1.835 -2.791 -6.420 1.00 0.00 C ATOM 0 H LEU A 77 -0.451 1.319 -5.647 1.00 0.00 H new ATOM 0 HA LEU A 77 0.133 -0.959 -7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.753 -0.028 -5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.666 -0.296 -4.362 1.00 0.00 H new ATOM 0 HG LEU A 77 2.579 -1.936 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.209 -3.895 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.638 -2.419 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.241 -3.054 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.281 -3.769 -6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.880 -2.918 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.504 -2.198 -7.044 1.00 0.00 H new ATOM 1184 N VAL A 78 -2.144 -1.229 -4.925 1.00 0.00 N ATOM 1185 CA VAL A 78 -3.211 -2.084 -4.424 1.00 0.00 C ATOM 1186 C VAL A 78 -4.063 -2.612 -5.574 1.00 0.00 C ATOM 1187 O VAL A 78 -4.537 -3.749 -5.542 1.00 0.00 O ATOM 1188 CB VAL A 78 -4.117 -1.333 -3.428 1.00 0.00 C ATOM 1189 CG1 VAL A 78 -5.198 -2.256 -2.881 1.00 0.00 C ATOM 1190 CG2 VAL A 78 -3.292 -0.740 -2.298 1.00 0.00 C ATOM 0 H VAL A 78 -2.127 -0.293 -4.520 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.737 -2.918 -3.906 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.606 -0.516 -3.959 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.826 -1.706 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.810 -2.626 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.732 -3.097 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.949 -0.214 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.772 -1.539 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.563 -0.041 -2.708 1.00 0.00 H new ATOM 1200 N GLU A 79 -4.250 -1.777 -6.591 1.00 0.00 N ATOM 1201 CA GLU A 79 -5.042 -2.153 -7.756 1.00 0.00 C ATOM 1202 C GLU A 79 -4.368 -3.280 -8.531 1.00 0.00 C ATOM 1203 O GLU A 79 -5.031 -4.201 -9.010 1.00 0.00 O ATOM 1204 CB GLU A 79 -5.248 -0.943 -8.671 1.00 0.00 C ATOM 1205 CG GLU A 79 -5.937 0.230 -7.989 1.00 0.00 C ATOM 1206 CD GLU A 79 -7.329 -0.111 -7.495 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -7.451 -1.013 -6.641 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -8.296 0.526 -7.961 1.00 0.00 O ATOM 0 H GLU A 79 -3.863 -0.834 -6.632 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.012 -2.506 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.279 -0.615 -9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.839 -1.248 -9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.329 0.563 -7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.999 1.065 -8.687 1.00 0.00 H new ATOM 1215 N ALA A 80 -3.047 -3.202 -8.648 1.00 0.00 N ATOM 1216 CA ALA A 80 -2.280 -4.215 -9.363 1.00 0.00 C ATOM 1217 C ALA A 80 -2.463 -5.589 -8.731 1.00 0.00 C ATOM 1218 O ALA A 80 -2.671 -6.583 -9.426 1.00 0.00 O ATOM 1219 CB ALA A 80 -0.804 -3.842 -9.381 1.00 0.00 C ATOM 0 H ALA A 80 -2.485 -2.447 -8.256 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.651 -4.258 -10.387 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.242 -4.606 -9.918 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.678 -2.881 -9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.434 -3.771 -8.358 1.00 0.00 H new ATOM 1225 N LEU A 81 -2.371 -5.632 -7.409 1.00 0.00 N ATOM 1226 CA LEU A 81 -2.514 -6.878 -6.668 1.00 0.00 C ATOM 1227 C LEU A 81 -3.897 -7.488 -6.878 1.00 0.00 C ATOM 1228 O LEU A 81 -4.024 -8.682 -7.150 1.00 0.00 O ATOM 1229 CB LEU A 81 -2.276 -6.620 -5.180 1.00 0.00 C ATOM 1230 CG LEU A 81 -1.020 -5.812 -4.862 1.00 0.00 C ATOM 1231 CD1 LEU A 81 -0.828 -5.686 -3.358 1.00 0.00 C ATOM 1232 CD2 LEU A 81 0.204 -6.444 -5.510 1.00 0.00 C ATOM 0 H LEU A 81 -2.197 -4.814 -6.825 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.774 -7.587 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.141 -6.095 -4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.214 -7.579 -4.665 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.145 -4.811 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.072 -5.107 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.691 -5.182 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.728 -6.679 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.088 -5.853 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.333 -7.458 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.069 -6.474 -6.591 1.00 0.00 H new ATOM 1244 N ARG A 82 -4.929 -6.662 -6.749 1.00 0.00 N ATOM 1245 CA ARG A 82 -6.303 -7.121 -6.923 1.00 0.00 C ATOM 1246 C ARG A 82 -6.509 -7.703 -8.316 1.00 0.00 C ATOM 1247 O ARG A 82 -7.159 -8.735 -8.481 1.00 0.00 O ATOM 1248 CB ARG A 82 -7.280 -5.966 -6.687 1.00 0.00 C ATOM 1249 CG ARG A 82 -7.242 -5.415 -5.271 1.00 0.00 C ATOM 1250 CD ARG A 82 -7.820 -6.392 -4.254 1.00 0.00 C ATOM 1251 NE ARG A 82 -9.280 -6.470 -4.320 1.00 0.00 N ATOM 1252 CZ ARG A 82 -9.960 -7.219 -5.189 1.00 0.00 C ATOM 1253 NH1 ARG A 82 -9.327 -8.047 -6.008 1.00 0.00 N ATOM 1254 NH2 ARG A 82 -11.285 -7.159 -5.215 1.00 0.00 N ATOM 0 H ARG A 82 -4.841 -5.671 -6.525 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.495 -7.906 -6.191 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.054 -5.162 -7.387 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.292 -6.306 -6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.212 -5.181 -5.002 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.801 -4.480 -5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.398 -7.382 -4.426 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -7.520 -6.087 -3.251 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.815 -5.912 -3.654 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.310 -8.116 -5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.857 -8.615 -6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.780 -6.541 -4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.808 -7.730 -5.878 1.00 0.00 H new ATOM 1268 N ALA A 83 -5.952 -7.033 -9.320 1.00 0.00 N ATOM 1269 CA ALA A 83 -6.072 -7.479 -10.703 1.00 0.00 C ATOM 1270 C ALA A 83 -5.530 -8.895 -10.880 1.00 0.00 C ATOM 1271 O ALA A 83 -6.117 -9.707 -11.593 1.00 0.00 O ATOM 1272 CB ALA A 83 -5.349 -6.515 -11.630 1.00 0.00 C ATOM 0 H ALA A 83 -5.411 -6.176 -9.200 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.131 -7.493 -10.961 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.446 -6.859 -12.660 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.788 -5.522 -11.536 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.294 -6.472 -11.359 1.00 0.00 H new ATOM 1278 N ARG A 84 -4.404 -9.182 -10.231 1.00 0.00 N ATOM 1279 CA ARG A 84 -3.785 -10.501 -10.326 1.00 0.00 C ATOM 1280 C ARG A 84 -4.356 -11.472 -9.292 1.00 0.00 C ATOM 1281 O ARG A 84 -3.737 -12.493 -8.984 1.00 0.00 O ATOM 1282 CB ARG A 84 -2.270 -10.386 -10.149 1.00 0.00 C ATOM 1283 CG ARG A 84 -1.598 -9.536 -11.216 1.00 0.00 C ATOM 1284 CD ARG A 84 -0.098 -9.438 -10.987 1.00 0.00 C ATOM 1285 NE ARG A 84 0.560 -8.628 -12.011 1.00 0.00 N ATOM 1286 CZ ARG A 84 0.353 -7.324 -12.178 1.00 0.00 C ATOM 1287 NH1 ARG A 84 -0.454 -6.662 -11.359 1.00 0.00 N ATOM 1288 NH2 ARG A 84 0.969 -6.675 -13.156 1.00 0.00 N ATOM 0 H ARG A 84 -3.904 -8.522 -9.636 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.008 -10.898 -11.316 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.058 -9.959 -9.169 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.834 -11.385 -10.163 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.790 -9.966 -12.199 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.033 -8.537 -11.214 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.091 -9.005 -10.005 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.334 -10.439 -10.983 1.00 0.00 H new ATOM 0 HE ARG A 84 1.219 -9.091 -12.637 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.920 -7.152 -10.596 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.608 -5.663 -11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.602 -7.175 -13.781 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.810 -5.676 -13.284 1.00 0.00 H new ATOM 1302 N GLY A 85 -5.534 -11.160 -8.759 1.00 0.00 N ATOM 1303 CA GLY A 85 -6.153 -12.025 -7.772 1.00 0.00 C ATOM 1304 C GLY A 85 -5.296 -12.178 -6.537 1.00 0.00 C ATOM 1305 O GLY A 85 -5.224 -13.257 -5.947 1.00 0.00 O ATOM 0 H GLY A 85 -6.070 -10.324 -8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.124 -11.618 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.334 -13.006 -8.212 1.00 0.00 H new ATOM 1309 N VAL A 86 -4.650 -11.091 -6.143 1.00 0.00 N ATOM 1310 CA VAL A 86 -3.790 -11.095 -4.966 1.00 0.00 C ATOM 1311 C VAL A 86 -4.533 -10.559 -3.745 1.00 0.00 C ATOM 1312 O VAL A 86 -5.225 -9.544 -3.824 1.00 0.00 O ATOM 1313 CB VAL A 86 -2.519 -10.256 -5.198 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.604 -10.311 -3.985 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -1.792 -10.727 -6.448 1.00 0.00 C ATOM 0 H VAL A 86 -4.704 -10.192 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.500 -12.130 -4.784 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.816 -9.218 -5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.714 -9.711 -4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.129 -9.918 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.312 -11.344 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.897 -10.124 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.509 -11.773 -6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.448 -10.622 -7.312 1.00 0.00 H new ATOM 1325 N GLU A 87 -4.390 -11.247 -2.616 1.00 0.00 N ATOM 1326 CA GLU A 87 -5.051 -10.836 -1.382 1.00 0.00 C ATOM 1327 C GLU A 87 -4.509 -9.496 -0.893 1.00 0.00 C ATOM 1328 O GLU A 87 -3.299 -9.317 -0.759 1.00 0.00 O ATOM 1329 CB GLU A 87 -4.862 -11.900 -0.299 1.00 0.00 C ATOM 1330 CG GLU A 87 -5.553 -11.563 1.014 1.00 0.00 C ATOM 1331 CD GLU A 87 -7.061 -11.465 0.877 1.00 0.00 C ATOM 1332 OE1 GLU A 87 -7.574 -11.685 -0.240 1.00 0.00 O ATOM 1333 OE2 GLU A 87 -7.729 -11.171 1.890 1.00 0.00 O ATOM 0 H GLU A 87 -3.823 -12.091 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.115 -10.723 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.244 -12.852 -0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.796 -12.034 -0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.309 -12.325 1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.165 -10.617 1.391 1.00 0.00 H new ATOM 1340 N VAL A 88 -5.416 -8.560 -0.630 1.00 0.00 N ATOM 1341 CA VAL A 88 -5.040 -7.230 -0.158 1.00 0.00 C ATOM 1342 C VAL A 88 -6.211 -6.566 0.562 1.00 0.00 C ATOM 1343 O VAL A 88 -7.368 -6.762 0.189 1.00 0.00 O ATOM 1344 CB VAL A 88 -4.584 -6.321 -1.320 1.00 0.00 C ATOM 1345 CG1 VAL A 88 -4.120 -4.968 -0.800 1.00 0.00 C ATOM 1346 CG2 VAL A 88 -3.482 -6.986 -2.125 1.00 0.00 C ATOM 0 H VAL A 88 -6.421 -8.698 -0.736 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.207 -7.359 0.532 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.440 -6.161 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.804 -4.345 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.940 -4.480 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.283 -5.109 -0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.177 -6.327 -2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.627 -7.184 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.849 -7.926 -2.538 1.00 0.00 H new ATOM 1356 N GLU A 89 -5.906 -5.788 1.595 1.00 0.00 N ATOM 1357 CA GLU A 89 -6.947 -5.110 2.359 1.00 0.00 C ATOM 1358 C GLU A 89 -6.364 -4.085 3.326 1.00 0.00 C ATOM 1359 O GLU A 89 -5.326 -4.315 3.948 1.00 0.00 O ATOM 1360 CB GLU A 89 -7.783 -6.132 3.131 1.00 0.00 C ATOM 1361 CG GLU A 89 -6.976 -6.958 4.120 1.00 0.00 C ATOM 1362 CD GLU A 89 -7.826 -7.962 4.872 1.00 0.00 C ATOM 1363 OE1 GLU A 89 -8.441 -8.829 4.217 1.00 0.00 O ATOM 1364 OE2 GLU A 89 -7.877 -7.881 6.117 1.00 0.00 O ATOM 0 H GLU A 89 -4.955 -5.612 1.920 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.581 -4.578 1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.575 -5.610 3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.268 -6.802 2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.185 -7.485 3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.491 -6.292 4.833 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.052 -2.953 3.453 1.00 0.00 N ATOM 1372 CA LEU A 90 -6.623 -1.886 4.351 1.00 0.00 C ATOM 1373 C LEU A 90 -6.715 -2.344 5.804 1.00 0.00 C ATOM 1374 O LEU A 90 -7.668 -3.022 6.188 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.483 -0.633 4.147 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.344 0.056 2.785 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -5.906 0.489 2.548 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -7.818 -0.856 1.666 1.00 0.00 C ATOM 0 H LEU A 90 -7.912 -2.751 2.943 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.586 -1.643 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.529 -0.906 4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.232 0.088 4.925 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.975 0.945 2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.828 0.976 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.603 1.187 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.255 -0.385 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.710 -0.345 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.219 -1.767 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.866 -1.112 1.824 1.00 0.00 H new