USER MOD reduce.3.24.130724 H: found=0, std=0, add=302, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 304 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 Set 1.1: A 31 ASN : amide:sc= -0.0408 K(o=1.1,f=0.38) USER MOD Set 1.2: A 35 ASN : amide:sc= 1.17 K(o=1.1,f=-0.17) USER MOD Single : A 4 LYS NZ :NH3+ -132:sc= 0.458 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0.281 K(o=0.28,f=-8.2!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 123:sc= 0.919 USER MOD Single : A 11 SER OG : rot 120:sc= 0.95 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 16.748 18.352 -4.091 1.00 0.35 N ATOM 46 CA LYS A 4 16.440 17.482 -2.907 1.00 0.32 C ATOM 47 C LYS A 4 16.060 18.322 -1.683 1.00 0.30 C ATOM 48 O LYS A 4 15.166 17.969 -0.933 1.00 0.30 O ATOM 49 CB LYS A 4 17.727 16.691 -2.646 1.00 0.37 C ATOM 50 CG LYS A 4 17.382 15.223 -2.372 1.00 0.43 C ATOM 51 CD LYS A 4 17.012 14.526 -3.686 1.00 0.50 C ATOM 52 CE LYS A 4 15.524 14.164 -3.678 1.00 0.44 C ATOM 53 NZ LYS A 4 15.148 14.051 -5.116 1.00 0.47 N ATOM 0 HA LYS A 4 15.589 16.829 -3.100 1.00 0.32 H new ATOM 0 HB2 LYS A 4 18.392 16.764 -3.507 1.00 0.37 H new ATOM 0 HB3 LYS A 4 18.260 17.115 -1.795 1.00 0.37 H new ATOM 0 HG2 LYS A 4 18.231 14.720 -1.909 1.00 0.43 H new ATOM 0 HG3 LYS A 4 16.551 15.160 -1.669 1.00 0.43 H new ATOM 0 HD2 LYS A 4 17.232 15.180 -4.530 1.00 0.50 H new ATOM 0 HD3 LYS A 4 17.614 13.626 -3.814 1.00 0.50 H new ATOM 0 HE2 LYS A 4 15.348 13.227 -3.149 1.00 0.44 H new ATOM 0 HE3 LYS A 4 14.934 14.930 -3.175 1.00 0.44 H new ATOM 0 HZ1 LYS A 4 14.273 14.585 -5.289 1.00 0.47 H new ATOM 0 HZ2 LYS A 4 15.912 14.438 -5.706 1.00 0.47 H new ATOM 0 HZ3 LYS A 4 14.996 13.051 -5.358 1.00 0.47 H new ATOM 67 N VAL A 5 16.726 19.428 -1.483 1.00 0.32 N ATOM 68 CA VAL A 5 16.408 20.305 -0.309 1.00 0.34 C ATOM 69 C VAL A 5 14.928 20.697 -0.324 1.00 0.32 C ATOM 70 O VAL A 5 14.240 20.601 0.675 1.00 0.33 O ATOM 71 CB VAL A 5 17.313 21.541 -0.442 1.00 0.39 C ATOM 72 CG1 VAL A 5 17.092 22.227 -1.792 1.00 0.41 C ATOM 73 CG2 VAL A 5 16.983 22.529 0.679 1.00 0.45 C ATOM 0 H VAL A 5 17.479 19.766 -2.082 1.00 0.32 H new ATOM 0 HA VAL A 5 16.587 19.794 0.637 1.00 0.34 H new ATOM 0 HB VAL A 5 18.353 21.223 -0.373 1.00 0.39 H new ATOM 0 HG11 VAL A 5 17.741 23.099 -1.867 1.00 0.41 H new ATOM 0 HG12 VAL A 5 17.326 21.530 -2.597 1.00 0.41 H new ATOM 0 HG13 VAL A 5 16.051 22.541 -1.875 1.00 0.41 H new ATOM 0 HG21 VAL A 5 17.622 23.408 0.589 1.00 0.45 H new ATOM 0 HG22 VAL A 5 15.938 22.831 0.602 1.00 0.45 H new ATOM 0 HG23 VAL A 5 17.153 22.053 1.645 1.00 0.45 H new ATOM 83 N GLN A 6 14.427 21.103 -1.456 1.00 0.32 N ATOM 84 CA GLN A 6 12.986 21.464 -1.546 1.00 0.32 C ATOM 85 C GLN A 6 12.164 20.183 -1.683 1.00 0.28 C ATOM 86 O GLN A 6 11.046 20.096 -1.213 1.00 0.27 O ATOM 87 CB GLN A 6 12.844 22.343 -2.795 1.00 0.37 C ATOM 88 CG GLN A 6 13.239 23.793 -2.470 1.00 0.43 C ATOM 89 CD GLN A 6 12.499 24.292 -1.221 1.00 0.45 C ATOM 90 OE1 GLN A 6 11.307 24.083 -1.069 1.00 0.45 O ATOM 91 NE2 GLN A 6 13.157 24.952 -0.314 1.00 0.62 N ATOM 0 H GLN A 6 14.954 21.201 -2.324 1.00 0.32 H new ATOM 0 HA GLN A 6 12.632 21.996 -0.663 1.00 0.32 H new ATOM 0 HB2 GLN A 6 13.476 21.957 -3.595 1.00 0.37 H new ATOM 0 HB3 GLN A 6 11.816 22.310 -3.157 1.00 0.37 H new ATOM 0 HG2 GLN A 6 14.315 23.854 -2.309 1.00 0.43 H new ATOM 0 HG3 GLN A 6 13.006 24.437 -3.318 1.00 0.43 H new ATOM 0 HE21 GLN A 6 14.154 25.130 -0.435 1.00 0.62 H new ATOM 0 HE22 GLN A 6 12.676 25.292 0.519 1.00 0.62 H new ATOM 100 N TYR A 7 12.734 19.179 -2.305 1.00 0.27 N ATOM 101 CA TYR A 7 12.021 17.874 -2.467 1.00 0.25 C ATOM 102 C TYR A 7 11.591 17.351 -1.094 1.00 0.24 C ATOM 103 O TYR A 7 10.443 17.001 -0.884 1.00 0.24 O ATOM 104 CB TYR A 7 13.043 16.931 -3.110 1.00 0.27 C ATOM 105 CG TYR A 7 12.326 15.788 -3.788 1.00 0.29 C ATOM 106 CD1 TYR A 7 11.772 14.754 -3.023 1.00 0.36 C ATOM 107 CD2 TYR A 7 12.214 15.762 -5.182 1.00 0.37 C ATOM 108 CE1 TYR A 7 11.105 13.696 -3.653 1.00 0.42 C ATOM 109 CE2 TYR A 7 11.548 14.704 -5.812 1.00 0.41 C ATOM 110 CZ TYR A 7 10.994 13.671 -5.047 1.00 0.40 C ATOM 111 OH TYR A 7 10.336 12.630 -5.668 1.00 0.47 O ATOM 0 H TYR A 7 13.670 19.209 -2.710 1.00 0.27 H new ATOM 0 HA TYR A 7 11.122 17.962 -3.077 1.00 0.25 H new ATOM 0 HB2 TYR A 7 13.648 17.475 -3.836 1.00 0.27 H new ATOM 0 HB3 TYR A 7 13.725 16.546 -2.351 1.00 0.27 H new ATOM 0 HD1 TYR A 7 11.859 14.773 -1.947 1.00 0.36 H new ATOM 0 HD2 TYR A 7 12.642 16.559 -5.773 1.00 0.37 H new ATOM 0 HE1 TYR A 7 10.676 12.900 -3.063 1.00 0.42 H new ATOM 0 HE2 TYR A 7 11.462 14.685 -6.888 1.00 0.41 H new ATOM 0 HH TYR A 7 10.349 12.767 -6.638 1.00 0.47 H new ATOM 121 N LEU A 8 12.504 17.311 -0.154 1.00 0.24 N ATOM 122 CA LEU A 8 12.147 16.829 1.215 1.00 0.26 C ATOM 123 C LEU A 8 11.351 17.913 1.964 1.00 0.26 C ATOM 124 O LEU A 8 10.475 17.614 2.753 1.00 0.30 O ATOM 125 CB LEU A 8 13.491 16.519 1.901 1.00 0.30 C ATOM 126 CG LEU A 8 14.172 17.804 2.387 1.00 0.37 C ATOM 127 CD1 LEU A 8 13.742 18.107 3.823 1.00 0.46 C ATOM 128 CD2 LEU A 8 15.688 17.614 2.351 1.00 0.44 C ATOM 0 H LEU A 8 13.477 17.590 -0.276 1.00 0.24 H new ATOM 0 HA LEU A 8 11.510 15.944 1.198 1.00 0.26 H new ATOM 0 HB2 LEU A 8 13.326 15.850 2.745 1.00 0.30 H new ATOM 0 HB3 LEU A 8 14.147 15.997 1.204 1.00 0.30 H new ATOM 0 HG LEU A 8 13.883 18.632 1.739 1.00 0.37 H new ATOM 0 HD11 LEU A 8 14.229 19.021 4.163 1.00 0.46 H new ATOM 0 HD12 LEU A 8 12.660 18.237 3.859 1.00 0.46 H new ATOM 0 HD13 LEU A 8 14.030 17.279 4.471 1.00 0.46 H new ATOM 0 HD21 LEU A 8 16.177 18.525 2.696 1.00 0.44 H new ATOM 0 HD22 LEU A 8 15.966 16.784 3.001 1.00 0.44 H new ATOM 0 HD23 LEU A 8 16.003 17.397 1.330 1.00 0.44 H new ATOM 140 N THR A 9 11.635 19.170 1.706 1.00 0.26 N ATOM 141 CA THR A 9 10.883 20.272 2.388 1.00 0.29 C ATOM 142 C THR A 9 9.447 20.328 1.850 1.00 0.26 C ATOM 143 O THR A 9 8.493 20.343 2.605 1.00 0.28 O ATOM 144 CB THR A 9 11.642 21.561 2.044 1.00 0.33 C ATOM 145 OG1 THR A 9 12.979 21.462 2.511 1.00 0.35 O ATOM 146 CG2 THR A 9 10.969 22.757 2.718 1.00 0.40 C ATOM 0 H THR A 9 12.355 19.479 1.053 1.00 0.26 H new ATOM 0 HA THR A 9 10.820 20.125 3.466 1.00 0.29 H new ATOM 0 HB THR A 9 11.634 21.699 0.963 1.00 0.33 H new ATOM 0 HG1 THR A 9 13.597 21.584 1.761 1.00 0.35 H new ATOM 0 HG21 THR A 9 11.513 23.668 2.469 1.00 0.40 H new ATOM 0 HG22 THR A 9 9.941 22.841 2.367 1.00 0.40 H new ATOM 0 HG23 THR A 9 10.973 22.615 3.799 1.00 0.40 H new ATOM 154 N ARG A 10 9.287 20.335 0.549 1.00 0.25 N ATOM 155 CA ARG A 10 7.915 20.369 -0.048 1.00 0.24 C ATOM 156 C ARG A 10 7.137 19.117 0.352 1.00 0.20 C ATOM 157 O ARG A 10 5.960 19.165 0.612 1.00 0.21 O ATOM 158 CB ARG A 10 8.135 20.387 -1.561 1.00 0.25 C ATOM 159 CG ARG A 10 8.539 21.793 -2.015 1.00 0.31 C ATOM 160 CD ARG A 10 7.317 22.712 -1.993 1.00 0.35 C ATOM 161 NE ARG A 10 7.872 24.070 -1.713 1.00 0.42 N ATOM 162 CZ ARG A 10 7.974 24.496 -0.491 1.00 0.45 C ATOM 163 NH1 ARG A 10 6.911 24.848 0.162 1.00 0.53 N ATOM 164 NH2 ARG A 10 9.140 24.572 0.069 1.00 0.45 N ATOM 0 H ARG A 10 10.050 20.319 -0.127 1.00 0.25 H new ATOM 0 HA ARG A 10 7.343 21.232 0.293 1.00 0.24 H new ATOM 0 HB2 ARG A 10 8.911 19.671 -1.832 1.00 0.25 H new ATOM 0 HB3 ARG A 10 7.224 20.078 -2.073 1.00 0.25 H new ATOM 0 HG2 ARG A 10 9.315 22.188 -1.360 1.00 0.31 H new ATOM 0 HG3 ARG A 10 8.959 21.755 -3.020 1.00 0.31 H new ATOM 0 HD2 ARG A 10 6.787 22.689 -2.945 1.00 0.35 H new ATOM 0 HD3 ARG A 10 6.606 22.408 -1.225 1.00 0.35 H new ATOM 0 HE ARG A 10 8.172 24.665 -2.485 1.00 0.42 H new ATOM 0 HH11 ARG A 10 5.996 24.790 -0.284 1.00 0.53 H new ATOM 0 HH12 ARG A 10 6.990 25.183 1.122 1.00 0.53 H new ATOM 0 HH21 ARG A 10 9.974 24.298 -0.450 1.00 0.45 H new ATOM 0 HH22 ARG A 10 9.224 24.906 1.029 1.00 0.45 H new ATOM 178 N SER A 11 7.804 18.003 0.407 1.00 0.19 N ATOM 179 CA SER A 11 7.139 16.719 0.799 1.00 0.18 C ATOM 180 C SER A 11 6.796 16.736 2.289 1.00 0.19 C ATOM 181 O SER A 11 5.784 16.209 2.716 1.00 0.20 O ATOM 182 CB SER A 11 8.178 15.642 0.521 1.00 0.20 C ATOM 183 OG SER A 11 8.475 15.618 -0.869 1.00 0.21 O ATOM 0 H SER A 11 8.798 17.919 0.195 1.00 0.19 H new ATOM 0 HA SER A 11 6.210 16.554 0.253 1.00 0.18 H new ATOM 0 HB2 SER A 11 9.084 15.839 1.094 1.00 0.20 H new ATOM 0 HB3 SER A 11 7.804 14.669 0.841 1.00 0.20 H new ATOM 0 HG SER A 11 9.428 15.804 -1.003 1.00 0.21 H new ATOM 189 N ALA A 12 7.637 17.354 3.078 1.00 0.21 N ATOM 190 CA ALA A 12 7.388 17.439 4.539 1.00 0.25 C ATOM 191 C ALA A 12 6.200 18.356 4.788 1.00 0.26 C ATOM 192 O ALA A 12 5.407 18.151 5.687 1.00 0.28 O ATOM 193 CB ALA A 12 8.665 18.045 5.112 1.00 0.30 C ATOM 0 H ALA A 12 8.495 17.807 2.763 1.00 0.21 H new ATOM 0 HA ALA A 12 7.159 16.475 4.994 1.00 0.25 H new ATOM 0 HB1 ALA A 12 8.567 18.144 6.193 1.00 0.30 H new ATOM 0 HB2 ALA A 12 9.510 17.397 4.882 1.00 0.30 H new ATOM 0 HB3 ALA A 12 8.831 19.028 4.671 1.00 0.30 H new ATOM 199 N ILE A 13 6.082 19.363 3.978 1.00 0.25 N ATOM 200 CA ILE A 13 4.949 20.313 4.114 1.00 0.27 C ATOM 201 C ILE A 13 3.791 19.897 3.193 1.00 0.24 C ATOM 202 O ILE A 13 2.664 20.306 3.388 1.00 0.26 O ATOM 203 CB ILE A 13 5.515 21.669 3.691 1.00 0.31 C ATOM 204 CG1 ILE A 13 4.606 22.788 4.210 1.00 0.36 C ATOM 205 CG2 ILE A 13 5.585 21.732 2.164 1.00 0.29 C ATOM 206 CD1 ILE A 13 5.312 24.136 4.059 1.00 0.59 C ATOM 0 H ILE A 13 6.729 19.572 3.218 1.00 0.25 H new ATOM 0 HA ILE A 13 4.551 20.338 5.128 1.00 0.27 H new ATOM 0 HB ILE A 13 6.514 21.795 4.108 1.00 0.31 H new ATOM 0 HG12 ILE A 13 3.667 22.794 3.656 1.00 0.36 H new ATOM 0 HG13 ILE A 13 4.357 22.612 5.257 1.00 0.36 H new ATOM 0 HG21 ILE A 13 5.988 22.697 1.858 1.00 0.29 H new ATOM 0 HG22 ILE A 13 6.232 20.936 1.796 1.00 0.29 H new ATOM 0 HG23 ILE A 13 4.585 21.608 1.749 1.00 0.29 H new ATOM 0 HD11 ILE A 13 4.663 24.930 4.429 1.00 0.59 H new ATOM 0 HD12 ILE A 13 6.239 24.128 4.633 1.00 0.59 H new ATOM 0 HD13 ILE A 13 5.538 24.313 3.007 1.00 0.59 H new ATOM 218 N ARG A 14 4.079 19.109 2.173 1.00 0.20 N ATOM 219 CA ARG A 14 3.024 18.668 1.194 1.00 0.18 C ATOM 220 C ARG A 14 1.704 18.405 1.903 1.00 0.18 C ATOM 221 O ARG A 14 0.660 18.849 1.466 1.00 0.21 O ATOM 222 CB ARG A 14 3.590 17.390 0.571 1.00 0.17 C ATOM 223 CG ARG A 14 2.468 16.428 0.181 1.00 0.18 C ATOM 224 CD ARG A 14 3.060 15.278 -0.633 1.00 0.21 C ATOM 225 NE ARG A 14 2.205 14.105 -0.302 1.00 0.21 N ATOM 226 CZ ARG A 14 2.713 13.040 0.233 1.00 0.24 C ATOM 227 NH1 ARG A 14 3.443 13.133 1.301 1.00 0.30 N ATOM 228 NH2 ARG A 14 2.469 11.885 -0.293 1.00 0.28 N ATOM 0 H ARG A 14 5.013 18.749 1.977 1.00 0.20 H new ATOM 0 HA ARG A 14 2.809 19.427 0.442 1.00 0.18 H new ATOM 0 HB2 ARG A 14 4.181 17.641 -0.310 1.00 0.17 H new ATOM 0 HB3 ARG A 14 4.262 16.903 1.278 1.00 0.17 H new ATOM 0 HG2 ARG A 14 1.975 16.043 1.074 1.00 0.18 H new ATOM 0 HG3 ARG A 14 1.709 16.951 -0.402 1.00 0.18 H new ATOM 0 HD2 ARG A 14 3.038 15.496 -1.701 1.00 0.21 H new ATOM 0 HD3 ARG A 14 4.101 15.098 -0.366 1.00 0.21 H new ATOM 0 HE ARG A 14 1.205 14.140 -0.499 1.00 0.21 H new ATOM 0 HH11 ARG A 14 3.618 14.046 1.721 1.00 0.30 H new ATOM 0 HH12 ARG A 14 3.842 12.293 1.721 1.00 0.30 H new ATOM 0 HH21 ARG A 14 1.880 11.817 -1.123 1.00 0.28 H new ATOM 0 HH22 ARG A 14 2.865 11.042 0.122 1.00 0.28 H new ATOM 465 N LEU A 29 -0.088 0.602 -0.007 1.00 0.42 N ATOM 466 CA LEU A 29 0.767 -0.523 -0.477 1.00 0.46 C ATOM 467 C LEU A 29 0.677 -1.645 0.561 1.00 0.45 C ATOM 468 O LEU A 29 0.505 -2.804 0.230 1.00 0.47 O ATOM 469 CB LEU A 29 2.188 0.076 -0.596 1.00 0.48 C ATOM 470 CG LEU A 29 3.201 -0.692 0.261 1.00 0.50 C ATOM 471 CD1 LEU A 29 3.549 -2.021 -0.409 1.00 0.56 C ATOM 472 CD2 LEU A 29 4.475 0.140 0.404 1.00 0.55 C ATOM 0 HA LEU A 29 0.469 -0.951 -1.434 1.00 0.46 H new ATOM 0 HB2 LEU A 29 2.505 0.057 -1.639 1.00 0.48 H new ATOM 0 HB3 LEU A 29 2.169 1.121 -0.288 1.00 0.48 H new ATOM 0 HG LEU A 29 2.766 -0.883 1.242 1.00 0.50 H new ATOM 0 HD11 LEU A 29 4.269 -2.561 0.206 1.00 0.56 H new ATOM 0 HD12 LEU A 29 2.645 -2.620 -0.520 1.00 0.56 H new ATOM 0 HD13 LEU A 29 3.981 -1.831 -1.391 1.00 0.56 H new ATOM 0 HD21 LEU A 29 5.198 -0.403 1.013 1.00 0.55 H new ATOM 0 HD22 LEU A 29 4.900 0.328 -0.582 1.00 0.55 H new ATOM 0 HD23 LEU A 29 4.237 1.090 0.883 1.00 0.55 H new ATOM 484 N GLN A 30 0.768 -1.289 1.820 1.00 0.43 N ATOM 485 CA GLN A 30 0.669 -2.311 2.899 1.00 0.44 C ATOM 486 C GLN A 30 -0.725 -2.942 2.888 1.00 0.42 C ATOM 487 O GLN A 30 -0.872 -4.149 2.909 1.00 0.43 O ATOM 488 CB GLN A 30 0.918 -1.552 4.207 1.00 0.45 C ATOM 489 CG GLN A 30 2.424 -1.479 4.479 1.00 0.51 C ATOM 490 CD GLN A 30 2.669 -0.905 5.875 1.00 0.57 C ATOM 491 OE1 GLN A 30 2.949 0.263 6.021 1.00 0.70 O ATOM 492 NE2 GLN A 30 2.580 -1.681 6.914 1.00 0.74 N ATOM 0 H GLN A 30 0.907 -0.332 2.143 1.00 0.43 H new ATOM 0 HA GLN A 30 1.387 -3.121 2.771 1.00 0.44 H new ATOM 0 HB2 GLN A 30 0.501 -0.547 4.141 1.00 0.45 H new ATOM 0 HB3 GLN A 30 0.413 -2.054 5.032 1.00 0.45 H new ATOM 0 HG2 GLN A 30 2.866 -2.472 4.401 1.00 0.51 H new ATOM 0 HG3 GLN A 30 2.909 -0.855 3.728 1.00 0.51 H new ATOM 0 HE21 GLN A 30 2.344 -2.666 6.796 1.00 0.74 H new ATOM 0 HE22 GLN A 30 2.746 -1.305 7.847 1.00 0.74 H new ATOM 501 N ASN A 31 -1.743 -2.127 2.829 1.00 0.41 N ATOM 502 CA ASN A 31 -3.140 -2.653 2.793 1.00 0.41 C ATOM 503 C ASN A 31 -3.291 -3.634 1.625 1.00 0.42 C ATOM 504 O ASN A 31 -3.779 -4.735 1.787 1.00 0.43 O ATOM 505 CB ASN A 31 -4.021 -1.412 2.598 1.00 0.42 C ATOM 506 CG ASN A 31 -5.468 -1.833 2.350 1.00 0.46 C ATOM 507 OD1 ASN A 31 -6.213 -2.065 3.276 1.00 0.50 O ATOM 508 ND2 ASN A 31 -5.898 -1.946 1.129 1.00 0.52 N ATOM 0 H ASN A 31 -1.667 -1.110 2.804 1.00 0.41 H new ATOM 0 HA ASN A 31 -3.415 -3.197 3.697 1.00 0.41 H new ATOM 0 HB2 ASN A 31 -3.965 -0.774 3.480 1.00 0.42 H new ATOM 0 HB3 ASN A 31 -3.655 -0.825 1.756 1.00 0.42 H new ATOM 0 HD21 ASN A 31 -6.862 -2.230 0.952 1.00 0.52 H new ATOM 0 HD22 ASN A 31 -5.272 -1.751 0.348 1.00 0.52 H new ATOM 515 N LEU A 32 -2.844 -3.243 0.463 1.00 0.42 N ATOM 516 CA LEU A 32 -2.918 -4.134 -0.725 1.00 0.44 C ATOM 517 C LEU A 32 -2.076 -5.380 -0.471 1.00 0.45 C ATOM 518 O LEU A 32 -2.507 -6.482 -0.713 1.00 0.46 O ATOM 519 CB LEU A 32 -2.348 -3.306 -1.882 1.00 0.47 C ATOM 520 CG LEU A 32 -2.263 -4.169 -3.144 1.00 0.55 C ATOM 521 CD1 LEU A 32 -2.939 -3.445 -4.305 1.00 0.80 C ATOM 522 CD2 LEU A 32 -0.795 -4.416 -3.491 1.00 0.77 C ATOM 0 H LEU A 32 -2.425 -2.330 0.286 1.00 0.42 H new ATOM 0 HA LEU A 32 -3.932 -4.470 -0.944 1.00 0.44 H new ATOM 0 HB2 LEU A 32 -2.980 -2.438 -2.066 1.00 0.47 H new ATOM 0 HB3 LEU A 32 -1.359 -2.930 -1.620 1.00 0.47 H new ATOM 0 HG LEU A 32 -2.764 -5.120 -2.966 1.00 0.55 H new ATOM 0 HD11 LEU A 32 -2.878 -4.060 -5.203 1.00 0.80 H new ATOM 0 HD12 LEU A 32 -3.986 -3.263 -4.060 1.00 0.80 H new ATOM 0 HD13 LEU A 32 -2.437 -2.494 -4.482 1.00 0.80 H new ATOM 0 HD21 LEU A 32 -0.732 -5.030 -4.389 1.00 0.77 H new ATOM 0 HD22 LEU A 32 -0.297 -3.462 -3.668 1.00 0.77 H new ATOM 0 HD23 LEU A 32 -0.307 -4.932 -2.664 1.00 0.77 H new ATOM 534 N PHE A 33 -0.889 -5.208 0.043 1.00 0.45 N ATOM 535 CA PHE A 33 -0.022 -6.390 0.338 1.00 0.46 C ATOM 536 C PHE A 33 -0.743 -7.327 1.317 1.00 0.44 C ATOM 537 O PHE A 33 -0.796 -8.524 1.113 1.00 0.45 O ATOM 538 CB PHE A 33 1.249 -5.814 0.969 1.00 0.49 C ATOM 539 CG PHE A 33 2.387 -5.904 -0.019 1.00 0.56 C ATOM 540 CD1 PHE A 33 2.446 -5.018 -1.102 1.00 0.63 C ATOM 541 CD2 PHE A 33 3.384 -6.873 0.147 1.00 0.70 C ATOM 542 CE1 PHE A 33 3.502 -5.102 -2.018 1.00 0.74 C ATOM 543 CE2 PHE A 33 4.439 -6.956 -0.769 1.00 0.81 C ATOM 544 CZ PHE A 33 4.498 -6.071 -1.852 1.00 0.80 C ATOM 0 H PHE A 33 -0.480 -4.302 0.272 1.00 0.45 H new ATOM 0 HA PHE A 33 0.208 -6.972 -0.554 1.00 0.46 H new ATOM 0 HB2 PHE A 33 1.086 -4.776 1.258 1.00 0.49 H new ATOM 0 HB3 PHE A 33 1.498 -6.363 1.877 1.00 0.49 H new ATOM 0 HD1 PHE A 33 1.677 -4.270 -1.231 1.00 0.63 H new ATOM 0 HD2 PHE A 33 3.339 -7.556 0.982 1.00 0.70 H new ATOM 0 HE1 PHE A 33 3.548 -4.419 -2.853 1.00 0.74 H new ATOM 0 HE2 PHE A 33 5.208 -7.703 -0.640 1.00 0.81 H new ATOM 0 HZ PHE A 33 5.312 -6.136 -2.559 1.00 0.80 H new ATOM 554 N ILE A 34 -1.317 -6.787 2.366 1.00 0.42 N ATOM 555 CA ILE A 34 -2.054 -7.647 3.346 1.00 0.42 C ATOM 556 C ILE A 34 -3.386 -8.127 2.743 1.00 0.41 C ATOM 557 O ILE A 34 -3.759 -9.278 2.888 1.00 0.41 O ATOM 558 CB ILE A 34 -2.297 -6.747 4.564 1.00 0.45 C ATOM 559 CG1 ILE A 34 -0.999 -6.619 5.368 1.00 0.51 C ATOM 560 CG2 ILE A 34 -3.381 -7.357 5.458 1.00 0.51 C ATOM 561 CD1 ILE A 34 -0.722 -5.144 5.661 1.00 0.63 C ATOM 0 H ILE A 34 -1.307 -5.791 2.585 1.00 0.42 H new ATOM 0 HA ILE A 34 -1.493 -8.543 3.612 1.00 0.42 H new ATOM 0 HB ILE A 34 -2.622 -5.764 4.221 1.00 0.45 H new ATOM 0 HG12 ILE A 34 -1.080 -7.177 6.301 1.00 0.51 H new ATOM 0 HG13 ILE A 34 -0.169 -7.052 4.809 1.00 0.51 H new ATOM 0 HG21 ILE A 34 -3.547 -6.711 6.320 1.00 0.51 H new ATOM 0 HG22 ILE A 34 -4.308 -7.453 4.892 1.00 0.51 H new ATOM 0 HG23 ILE A 34 -3.060 -8.342 5.798 1.00 0.51 H new ATOM 0 HD11 ILE A 34 0.201 -5.054 6.233 1.00 0.63 H new ATOM 0 HD12 ILE A 34 -0.622 -4.599 4.722 1.00 0.63 H new ATOM 0 HD13 ILE A 34 -1.548 -4.726 6.237 1.00 0.63 H new ATOM 573 N ASN A 35 -4.096 -7.264 2.052 1.00 0.40 N ATOM 574 CA ASN A 35 -5.386 -7.677 1.435 1.00 0.41 C ATOM 575 C ASN A 35 -5.103 -8.643 0.300 1.00 0.40 C ATOM 576 O ASN A 35 -5.737 -9.673 0.174 1.00 0.41 O ATOM 577 CB ASN A 35 -6.033 -6.392 0.908 1.00 0.44 C ATOM 578 CG ASN A 35 -6.829 -5.722 2.029 1.00 0.46 C ATOM 579 OD1 ASN A 35 -8.019 -5.908 2.137 1.00 0.52 O ATOM 580 ND2 ASN A 35 -6.219 -4.946 2.872 1.00 0.48 N ATOM 0 H ASN A 35 -3.832 -6.292 1.892 1.00 0.40 H new ATOM 0 HA ASN A 35 -6.046 -8.178 2.143 1.00 0.41 H new ATOM 0 HB2 ASN A 35 -5.266 -5.712 0.536 1.00 0.44 H new ATOM 0 HB3 ASN A 35 -6.690 -6.621 0.069 1.00 0.44 H new ATOM 0 HD21 ASN A 35 -6.743 -4.496 3.622 1.00 0.48 H new ATOM 0 HD22 ASN A 35 -5.215 -4.787 2.784 1.00 0.48 H new ATOM 587 N PHE A 36 -4.139 -8.324 -0.517 1.00 0.41 N ATOM 588 CA PHE A 36 -3.799 -9.235 -1.644 1.00 0.43 C ATOM 589 C PHE A 36 -3.386 -10.605 -1.096 1.00 0.41 C ATOM 590 O PHE A 36 -3.859 -11.634 -1.542 1.00 0.42 O ATOM 591 CB PHE A 36 -2.639 -8.563 -2.389 1.00 0.46 C ATOM 592 CG PHE A 36 -2.157 -9.454 -3.508 1.00 0.53 C ATOM 593 CD1 PHE A 36 -2.923 -9.601 -4.671 1.00 0.64 C ATOM 594 CD2 PHE A 36 -0.942 -10.138 -3.381 1.00 0.59 C ATOM 595 CE1 PHE A 36 -2.473 -10.427 -5.705 1.00 0.75 C ATOM 596 CE2 PHE A 36 -0.492 -10.965 -4.416 1.00 0.71 C ATOM 597 CZ PHE A 36 -1.258 -11.110 -5.579 1.00 0.76 C ATOM 0 H PHE A 36 -3.575 -7.477 -0.454 1.00 0.41 H new ATOM 0 HA PHE A 36 -4.645 -9.401 -2.311 1.00 0.43 H new ATOM 0 HB2 PHE A 36 -2.962 -7.603 -2.791 1.00 0.46 H new ATOM 0 HB3 PHE A 36 -1.821 -8.360 -1.697 1.00 0.46 H new ATOM 0 HD1 PHE A 36 -3.862 -9.076 -4.769 1.00 0.64 H new ATOM 0 HD2 PHE A 36 -0.352 -10.027 -2.483 1.00 0.59 H new ATOM 0 HE1 PHE A 36 -3.064 -10.538 -6.602 1.00 0.75 H new ATOM 0 HE2 PHE A 36 0.446 -11.491 -4.318 1.00 0.71 H new ATOM 0 HZ PHE A 36 -0.912 -11.748 -6.378 1.00 0.76 H new ATOM 607 N ALA A 37 -2.522 -10.615 -0.117 1.00 0.40 N ATOM 608 CA ALA A 37 -2.073 -11.903 0.489 1.00 0.41 C ATOM 609 C ALA A 37 -3.261 -12.641 1.123 1.00 0.37 C ATOM 610 O ALA A 37 -3.466 -13.817 0.881 1.00 0.38 O ATOM 611 CB ALA A 37 -1.049 -11.505 1.556 1.00 0.44 C ATOM 0 H ALA A 37 -2.104 -9.779 0.293 1.00 0.40 H new ATOM 0 HA ALA A 37 -1.646 -12.579 -0.252 1.00 0.41 H new ATOM 0 HB1 ALA A 37 -0.670 -12.400 2.049 1.00 0.44 H new ATOM 0 HB2 ALA A 37 -0.222 -10.972 1.086 1.00 0.44 H new ATOM 0 HB3 ALA A 37 -1.525 -10.858 2.293 1.00 0.44 H new ATOM 617 N LEU A 38 -4.050 -11.963 1.928 1.00 0.36 N ATOM 618 CA LEU A 38 -5.222 -12.643 2.566 1.00 0.36 C ATOM 619 C LEU A 38 -6.219 -13.094 1.488 1.00 0.34 C ATOM 620 O LEU A 38 -6.774 -14.173 1.569 1.00 0.34 O ATOM 621 CB LEU A 38 -5.819 -11.613 3.554 1.00 0.40 C ATOM 622 CG LEU A 38 -7.083 -10.943 2.990 1.00 0.43 C ATOM 623 CD1 LEU A 38 -8.305 -11.821 3.270 1.00 0.49 C ATOM 624 CD2 LEU A 38 -7.282 -9.588 3.670 1.00 0.50 C ATOM 0 H LEU A 38 -3.933 -10.978 2.168 1.00 0.36 H new ATOM 0 HA LEU A 38 -4.945 -13.550 3.103 1.00 0.36 H new ATOM 0 HB2 LEU A 38 -6.060 -12.109 4.494 1.00 0.40 H new ATOM 0 HB3 LEU A 38 -5.073 -10.850 3.778 1.00 0.40 H new ATOM 0 HG LEU A 38 -6.968 -10.810 1.914 1.00 0.43 H new ATOM 0 HD11 LEU A 38 -9.197 -11.341 2.868 1.00 0.49 H new ATOM 0 HD12 LEU A 38 -8.171 -12.793 2.796 1.00 0.49 H new ATOM 0 HD13 LEU A 38 -8.418 -11.955 4.346 1.00 0.49 H new ATOM 0 HD21 LEU A 38 -8.177 -9.110 3.273 1.00 0.50 H new ATOM 0 HD22 LEU A 38 -7.394 -9.733 4.744 1.00 0.50 H new ATOM 0 HD23 LEU A 38 -6.416 -8.954 3.478 1.00 0.50 H new ATOM 636 N ILE A 39 -6.427 -12.306 0.462 1.00 0.34 N ATOM 637 CA ILE A 39 -7.360 -12.741 -0.618 1.00 0.36 C ATOM 638 C ILE A 39 -6.732 -13.934 -1.350 1.00 0.34 C ATOM 639 O ILE A 39 -7.384 -14.927 -1.609 1.00 0.35 O ATOM 640 CB ILE A 39 -7.507 -11.528 -1.546 1.00 0.40 C ATOM 641 CG1 ILE A 39 -8.377 -10.461 -0.864 1.00 0.44 C ATOM 642 CG2 ILE A 39 -8.163 -11.953 -2.865 1.00 0.46 C ATOM 643 CD1 ILE A 39 -9.810 -10.974 -0.697 1.00 0.49 C ATOM 0 H ILE A 39 -5.996 -11.391 0.328 1.00 0.34 H new ATOM 0 HA ILE A 39 -8.335 -13.057 -0.246 1.00 0.36 H new ATOM 0 HB ILE A 39 -6.519 -11.117 -1.753 1.00 0.40 H new ATOM 0 HG12 ILE A 39 -7.958 -10.208 0.110 1.00 0.44 H new ATOM 0 HG13 ILE A 39 -8.377 -9.547 -1.458 1.00 0.44 H new ATOM 0 HG21 ILE A 39 -8.263 -11.086 -3.517 1.00 0.46 H new ATOM 0 HG22 ILE A 39 -7.544 -12.705 -3.354 1.00 0.46 H new ATOM 0 HG23 ILE A 39 -9.149 -12.371 -2.663 1.00 0.46 H new ATOM 0 HD11 ILE A 39 -10.416 -10.209 -0.213 1.00 0.49 H new ATOM 0 HD12 ILE A 39 -10.230 -11.204 -1.676 1.00 0.49 H new ATOM 0 HD13 ILE A 39 -9.805 -11.875 -0.083 1.00 0.49 H new ATOM 655 N LEU A 40 -5.459 -13.849 -1.656 1.00 0.35 N ATOM 656 CA LEU A 40 -4.769 -14.980 -2.342 1.00 0.37 C ATOM 657 C LEU A 40 -4.824 -16.239 -1.468 1.00 0.33 C ATOM 658 O LEU A 40 -5.184 -17.306 -1.933 1.00 0.34 O ATOM 659 CB LEU A 40 -3.320 -14.517 -2.523 1.00 0.44 C ATOM 660 CG LEU A 40 -2.721 -15.193 -3.755 1.00 0.70 C ATOM 661 CD1 LEU A 40 -2.725 -14.213 -4.926 1.00 1.02 C ATOM 662 CD2 LEU A 40 -1.283 -15.618 -3.458 1.00 1.16 C ATOM 0 H LEU A 40 -4.869 -13.041 -1.458 1.00 0.35 H new ATOM 0 HA LEU A 40 -5.237 -15.230 -3.294 1.00 0.37 H new ATOM 0 HB2 LEU A 40 -3.284 -13.433 -2.636 1.00 0.44 H new ATOM 0 HB3 LEU A 40 -2.734 -14.765 -1.638 1.00 0.44 H new ATOM 0 HG LEU A 40 -3.315 -16.071 -4.010 1.00 0.70 H new ATOM 0 HD11 LEU A 40 -2.298 -14.695 -5.805 1.00 1.02 H new ATOM 0 HD12 LEU A 40 -3.749 -13.908 -5.141 1.00 1.02 H new ATOM 0 HD13 LEU A 40 -2.131 -13.336 -4.668 1.00 1.02 H new ATOM 0 HD21 LEU A 40 -0.857 -16.100 -4.338 1.00 1.16 H new ATOM 0 HD22 LEU A 40 -0.690 -14.740 -3.202 1.00 1.16 H new ATOM 0 HD23 LEU A 40 -1.276 -16.317 -2.622 1.00 1.16 H new ATOM 674 N ILE A 41 -4.483 -16.129 -0.201 1.00 0.31 N ATOM 675 CA ILE A 41 -4.529 -17.334 0.685 1.00 0.31 C ATOM 676 C ILE A 41 -5.984 -17.802 0.866 1.00 0.27 C ATOM 677 O ILE A 41 -6.259 -18.986 0.874 1.00 0.28 O ATOM 678 CB ILE A 41 -3.878 -16.903 2.013 1.00 0.36 C ATOM 679 CG1 ILE A 41 -3.328 -18.139 2.729 1.00 0.44 C ATOM 680 CG2 ILE A 41 -4.894 -16.210 2.923 1.00 0.39 C ATOM 681 CD1 ILE A 41 -1.823 -17.972 2.955 1.00 1.09 C ATOM 0 H ILE A 41 -4.179 -15.266 0.250 1.00 0.31 H new ATOM 0 HA ILE A 41 -3.993 -18.184 0.263 1.00 0.31 H new ATOM 0 HB ILE A 41 -3.074 -16.202 1.791 1.00 0.36 H new ATOM 0 HG12 ILE A 41 -3.837 -18.276 3.683 1.00 0.44 H new ATOM 0 HG13 ILE A 41 -3.520 -19.032 2.134 1.00 0.44 H new ATOM 0 HG21 ILE A 41 -4.408 -15.916 3.853 1.00 0.39 H new ATOM 0 HG22 ILE A 41 -5.286 -15.324 2.423 1.00 0.39 H new ATOM 0 HG23 ILE A 41 -5.713 -16.895 3.142 1.00 0.39 H new ATOM 0 HD11 ILE A 41 -1.432 -18.852 3.465 1.00 1.09 H new ATOM 0 HD12 ILE A 41 -1.321 -17.856 1.994 1.00 1.09 H new ATOM 0 HD13 ILE A 41 -1.643 -17.088 3.567 1.00 1.09 H new ATOM 693 N PHE A 42 -6.921 -16.887 0.977 1.00 0.26 N ATOM 694 CA PHE A 42 -8.356 -17.289 1.121 1.00 0.27 C ATOM 695 C PHE A 42 -8.828 -17.989 -0.166 1.00 0.26 C ATOM 696 O PHE A 42 -9.611 -18.922 -0.130 1.00 0.28 O ATOM 697 CB PHE A 42 -9.116 -15.972 1.336 1.00 0.32 C ATOM 698 CG PHE A 42 -10.577 -16.255 1.592 1.00 0.78 C ATOM 699 CD1 PHE A 42 -10.974 -16.863 2.789 1.00 1.38 C ATOM 700 CD2 PHE A 42 -11.535 -15.907 0.633 1.00 1.31 C ATOM 701 CE1 PHE A 42 -12.328 -17.125 3.024 1.00 2.03 C ATOM 702 CE2 PHE A 42 -12.888 -16.169 0.869 1.00 1.94 C ATOM 703 CZ PHE A 42 -13.286 -16.778 2.064 1.00 2.21 C ATOM 0 H PHE A 42 -6.752 -15.881 0.974 1.00 0.26 H new ATOM 0 HA PHE A 42 -8.519 -17.986 1.943 1.00 0.27 H new ATOM 0 HB2 PHE A 42 -8.689 -15.430 2.179 1.00 0.32 H new ATOM 0 HB3 PHE A 42 -9.009 -15.333 0.459 1.00 0.32 H new ATOM 0 HD1 PHE A 42 -10.235 -17.130 3.531 1.00 1.38 H new ATOM 0 HD2 PHE A 42 -11.229 -15.436 -0.290 1.00 1.31 H new ATOM 0 HE1 PHE A 42 -12.634 -17.595 3.947 1.00 2.03 H new ATOM 0 HE2 PHE A 42 -13.627 -15.901 0.128 1.00 1.94 H new ATOM 0 HZ PHE A 42 -14.331 -16.980 2.246 1.00 2.21 H new ATOM 713 N LEU A 43 -8.328 -17.557 -1.298 1.00 0.26 N ATOM 714 CA LEU A 43 -8.706 -18.190 -2.592 1.00 0.29 C ATOM 715 C LEU A 43 -7.958 -19.518 -2.716 1.00 0.28 C ATOM 716 O LEU A 43 -8.540 -20.545 -3.010 1.00 0.32 O ATOM 717 CB LEU A 43 -8.313 -17.159 -3.676 1.00 0.34 C ATOM 718 CG LEU A 43 -7.272 -17.718 -4.657 1.00 0.43 C ATOM 719 CD1 LEU A 43 -7.945 -18.681 -5.635 1.00 0.52 C ATOM 720 CD2 LEU A 43 -6.652 -16.561 -5.443 1.00 0.50 C ATOM 0 H LEU A 43 -7.667 -16.784 -1.377 1.00 0.26 H new ATOM 0 HA LEU A 43 -9.766 -18.427 -2.684 1.00 0.29 H new ATOM 0 HB2 LEU A 43 -9.203 -16.856 -4.227 1.00 0.34 H new ATOM 0 HB3 LEU A 43 -7.915 -16.264 -3.197 1.00 0.34 H new ATOM 0 HG LEU A 43 -6.500 -18.249 -4.100 1.00 0.43 H new ATOM 0 HD11 LEU A 43 -7.201 -19.074 -6.328 1.00 0.52 H new ATOM 0 HD12 LEU A 43 -8.397 -19.505 -5.082 1.00 0.52 H new ATOM 0 HD13 LEU A 43 -8.717 -18.152 -6.193 1.00 0.52 H new ATOM 0 HD21 LEU A 43 -5.912 -16.951 -6.142 1.00 0.50 H new ATOM 0 HD22 LEU A 43 -7.432 -16.037 -5.996 1.00 0.50 H new ATOM 0 HD23 LEU A 43 -6.170 -15.869 -4.752 1.00 0.50 H new ATOM 732 N LEU A 44 -6.676 -19.512 -2.445 1.00 0.27 N ATOM 733 CA LEU A 44 -5.907 -20.782 -2.496 1.00 0.31 C ATOM 734 C LEU A 44 -6.507 -21.751 -1.471 1.00 0.28 C ATOM 735 O LEU A 44 -6.548 -22.947 -1.685 1.00 0.32 O ATOM 736 CB LEU A 44 -4.465 -20.407 -2.124 1.00 0.35 C ATOM 737 CG LEU A 44 -3.747 -19.851 -3.355 1.00 0.48 C ATOM 738 CD1 LEU A 44 -2.500 -19.082 -2.919 1.00 0.58 C ATOM 739 CD2 LEU A 44 -3.329 -21.005 -4.267 1.00 0.64 C ATOM 0 H LEU A 44 -6.136 -18.684 -2.192 1.00 0.27 H new ATOM 0 HA LEU A 44 -5.938 -21.265 -3.473 1.00 0.31 H new ATOM 0 HB2 LEU A 44 -4.466 -19.666 -1.325 1.00 0.35 H new ATOM 0 HB3 LEU A 44 -3.937 -21.282 -1.746 1.00 0.35 H new ATOM 0 HG LEU A 44 -4.421 -19.183 -3.891 1.00 0.48 H new ATOM 0 HD11 LEU A 44 -1.990 -18.687 -3.798 1.00 0.58 H new ATOM 0 HD12 LEU A 44 -2.790 -18.258 -2.267 1.00 0.58 H new ATOM 0 HD13 LEU A 44 -1.829 -19.752 -2.381 1.00 0.58 H new ATOM 0 HD21 LEU A 44 -2.817 -20.609 -5.144 1.00 0.64 H new ATOM 0 HD22 LEU A 44 -2.658 -21.672 -3.726 1.00 0.64 H new ATOM 0 HD23 LEU A 44 -4.214 -21.558 -4.582 1.00 0.64 H new ATOM 751 N LEU A 45 -6.995 -21.231 -0.364 1.00 0.24 N ATOM 752 CA LEU A 45 -7.610 -22.120 0.666 1.00 0.25 C ATOM 753 C LEU A 45 -8.971 -22.628 0.188 1.00 0.26 C ATOM 754 O LEU A 45 -9.245 -23.814 0.222 1.00 0.29 O ATOM 755 CB LEU A 45 -7.759 -21.250 1.918 1.00 0.27 C ATOM 756 CG LEU A 45 -8.246 -22.108 3.088 1.00 0.38 C ATOM 757 CD1 LEU A 45 -7.370 -21.844 4.311 1.00 0.63 C ATOM 758 CD2 LEU A 45 -9.695 -21.747 3.417 1.00 0.60 C ATOM 0 H LEU A 45 -6.992 -20.237 -0.136 1.00 0.24 H new ATOM 0 HA LEU A 45 -7.000 -23.002 0.862 1.00 0.25 H new ATOM 0 HB2 LEU A 45 -6.804 -20.787 2.167 1.00 0.27 H new ATOM 0 HB3 LEU A 45 -8.465 -20.442 1.729 1.00 0.27 H new ATOM 0 HG LEU A 45 -8.185 -23.161 2.815 1.00 0.38 H new ATOM 0 HD11 LEU A 45 -7.716 -22.455 5.145 1.00 0.63 H new ATOM 0 HD12 LEU A 45 -6.336 -22.098 4.079 1.00 0.63 H new ATOM 0 HD13 LEU A 45 -7.432 -20.790 4.583 1.00 0.63 H new ATOM 0 HD21 LEU A 45 -10.042 -22.358 4.250 1.00 0.60 H new ATOM 0 HD22 LEU A 45 -9.754 -20.693 3.690 1.00 0.60 H new ATOM 0 HD23 LEU A 45 -10.323 -21.932 2.545 1.00 0.60 H new ATOM 770 N ILE A 46 -9.812 -21.747 -0.285 1.00 0.25 N ATOM 771 CA ILE A 46 -11.146 -22.195 -0.794 1.00 0.30 C ATOM 772 C ILE A 46 -10.934 -23.123 -2.000 1.00 0.33 C ATOM 773 O ILE A 46 -11.619 -24.114 -2.157 1.00 0.39 O ATOM 774 CB ILE A 46 -11.915 -20.912 -1.167 1.00 0.35 C ATOM 775 CG1 ILE A 46 -13.417 -21.169 -1.029 1.00 0.44 C ATOM 776 CG2 ILE A 46 -11.616 -20.487 -2.609 1.00 0.42 C ATOM 777 CD1 ILE A 46 -14.123 -19.877 -0.616 1.00 0.77 C ATOM 0 H ILE A 46 -9.637 -20.744 -0.342 1.00 0.25 H new ATOM 0 HA ILE A 46 -11.715 -22.761 -0.057 1.00 0.30 H new ATOM 0 HB ILE A 46 -11.597 -20.114 -0.495 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -13.823 -21.531 -1.974 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -13.596 -21.947 -0.287 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -12.172 -19.579 -2.844 1.00 0.42 H new ATOM 0 HG22 ILE A 46 -10.548 -20.297 -2.718 1.00 0.42 H new ATOM 0 HG23 ILE A 46 -11.915 -21.282 -3.292 1.00 0.42 H new ATOM 0 HD11 ILE A 46 -15.193 -20.062 -0.518 1.00 0.77 H new ATOM 0 HD12 ILE A 46 -13.725 -19.534 0.339 1.00 0.77 H new ATOM 0 HD13 ILE A 46 -13.955 -19.112 -1.374 1.00 0.77 H new ATOM 789 N ALA A 47 -9.960 -22.823 -2.831 1.00 0.34 N ATOM 790 CA ALA A 47 -9.672 -23.697 -4.003 1.00 0.40 C ATOM 791 C ALA A 47 -9.232 -25.086 -3.516 1.00 0.39 C ATOM 792 O ALA A 47 -9.687 -26.096 -4.014 1.00 0.46 O ATOM 793 CB ALA A 47 -8.537 -22.997 -4.756 1.00 0.45 C ATOM 0 H ALA A 47 -9.354 -22.007 -2.743 1.00 0.34 H new ATOM 0 HA ALA A 47 -10.543 -23.843 -4.642 1.00 0.40 H new ATOM 0 HB1 ALA A 47 -8.268 -23.583 -5.635 1.00 0.45 H new ATOM 0 HB2 ALA A 47 -8.864 -22.005 -5.067 1.00 0.45 H new ATOM 0 HB3 ALA A 47 -7.670 -22.905 -4.103 1.00 0.45 H new ATOM 799 N ILE A 48 -8.361 -25.141 -2.531 1.00 0.35 N ATOM 800 CA ILE A 48 -7.906 -26.466 -2.002 1.00 0.39 C ATOM 801 C ILE A 48 -9.101 -27.230 -1.412 1.00 0.39 C ATOM 802 O ILE A 48 -9.272 -28.411 -1.653 1.00 0.45 O ATOM 803 CB ILE A 48 -6.876 -26.137 -0.910 1.00 0.41 C ATOM 804 CG1 ILE A 48 -5.539 -25.770 -1.561 1.00 0.47 C ATOM 805 CG2 ILE A 48 -6.671 -27.355 -0.004 1.00 0.49 C ATOM 806 CD1 ILE A 48 -4.647 -25.067 -0.534 1.00 0.52 C ATOM 0 H ILE A 48 -7.949 -24.328 -2.074 1.00 0.35 H new ATOM 0 HA ILE A 48 -7.475 -27.097 -2.779 1.00 0.39 H new ATOM 0 HB ILE A 48 -7.242 -25.299 -0.317 1.00 0.41 H new ATOM 0 HG12 ILE A 48 -5.045 -26.668 -1.933 1.00 0.47 H new ATOM 0 HG13 ILE A 48 -5.707 -25.119 -2.419 1.00 0.47 H new ATOM 0 HG21 ILE A 48 -5.940 -27.115 0.768 1.00 0.49 H new ATOM 0 HG22 ILE A 48 -7.618 -27.624 0.464 1.00 0.49 H new ATOM 0 HG23 ILE A 48 -6.309 -28.194 -0.599 1.00 0.49 H new ATOM 0 HD11 ILE A 48 -3.695 -24.806 -0.997 1.00 0.52 H new ATOM 0 HD12 ILE A 48 -5.141 -24.161 -0.183 1.00 0.52 H new ATOM 0 HD13 ILE A 48 -4.469 -25.733 0.310 1.00 0.52 H new ATOM 818 N ILE A 49 -9.929 -26.559 -0.645 1.00 0.37 N ATOM 819 CA ILE A 49 -11.118 -27.238 -0.037 1.00 0.43 C ATOM 820 C ILE A 49 -12.023 -27.822 -1.126 1.00 0.48 C ATOM 821 O ILE A 49 -12.613 -28.867 -0.950 1.00 0.55 O ATOM 822 CB ILE A 49 -11.851 -26.147 0.747 1.00 0.44 C ATOM 823 CG1 ILE A 49 -10.997 -25.699 1.943 1.00 0.45 C ATOM 824 CG2 ILE A 49 -13.195 -26.679 1.255 1.00 0.52 C ATOM 825 CD1 ILE A 49 -10.857 -26.847 2.949 1.00 0.55 C ATOM 0 H ILE A 49 -9.832 -25.570 -0.414 1.00 0.37 H new ATOM 0 HA ILE A 49 -10.825 -28.070 0.604 1.00 0.43 H new ATOM 0 HB ILE A 49 -12.025 -25.298 0.086 1.00 0.44 H new ATOM 0 HG12 ILE A 49 -10.012 -25.384 1.599 1.00 0.45 H new ATOM 0 HG13 ILE A 49 -11.457 -24.836 2.425 1.00 0.45 H new ATOM 0 HG21 ILE A 49 -13.709 -25.896 1.812 1.00 0.52 H new ATOM 0 HG22 ILE A 49 -13.809 -26.985 0.408 1.00 0.52 H new ATOM 0 HG23 ILE A 49 -13.024 -27.535 1.907 1.00 0.52 H new ATOM 0 HD11 ILE A 49 -10.250 -26.519 3.793 1.00 0.55 H new ATOM 0 HD12 ILE A 49 -11.844 -27.141 3.305 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -10.377 -27.698 2.466 1.00 0.55 H new