USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 687 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 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0584 USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= -0.48 (180deg=-0.716) USER MOD Single : A 9 TYR OH : rot 180:sc=-0.00314 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 43:sc= 0.0621 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.572 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.5!) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -2.12! F(o=-2.9,f=-2.1!) USER MOD Single : A 65 TYR OH : rot -17:sc= 0.258 USER MOD Single : A 76 SER OG : rot 65:sc= 0.728 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0475 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 166:sc= 0 (180deg=-0.158) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -153:sc= 0.34 (180deg=0.104) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 3 3.265 -5.264 -2.089 1.00 3.45 N ATOM 36 CA SER A 3 2.545 -6.213 -2.929 1.00 12.21 C ATOM 37 C SER A 3 2.851 -7.648 -2.513 1.00 24.31 C ATOM 38 O SER A 3 3.875 -7.920 -1.884 1.00 42.20 O ATOM 39 CB SER A 3 2.913 -6.006 -4.399 1.00 71.34 C ATOM 40 OG SER A 3 4.200 -6.528 -4.681 1.00 72.31 O ATOM 0 HA SER A 3 1.477 -6.037 -2.801 1.00 12.21 H new ATOM 0 HB2 SER A 3 2.173 -6.492 -5.034 1.00 71.34 H new ATOM 0 HB3 SER A 3 2.888 -4.943 -4.637 1.00 71.34 H new ATOM 0 HG SER A 3 4.411 -6.385 -5.627 1.00 72.31 H new ATOM 46 N LEU A 4 1.957 -8.564 -2.868 1.00 62.23 N ATOM 47 CA LEU A 4 2.130 -9.973 -2.533 1.00 25.32 C ATOM 48 C LEU A 4 1.544 -10.868 -3.620 1.00 62.01 C ATOM 49 O LEU A 4 0.385 -10.716 -4.007 1.00 32.32 O ATOM 50 CB LEU A 4 1.468 -10.283 -1.189 1.00 60.12 C ATOM 51 CG LEU A 4 1.817 -9.342 -0.036 1.00 1.12 C ATOM 52 CD1 LEU A 4 0.848 -9.532 1.121 1.00 72.35 C ATOM 53 CD2 LEU A 4 3.250 -9.570 0.424 1.00 52.13 C ATOM 0 H LEU A 4 1.105 -8.356 -3.388 1.00 62.23 H new ATOM 0 HA LEU A 4 3.199 -10.175 -2.460 1.00 25.32 H new ATOM 0 HB2 LEU A 4 0.387 -10.270 -1.328 1.00 60.12 H new ATOM 0 HB3 LEU A 4 1.740 -11.298 -0.898 1.00 60.12 H new ATOM 0 HG LEU A 4 1.729 -8.315 -0.392 1.00 1.12 H new ATOM 0 HD11 LEU A 4 1.112 -8.854 1.932 1.00 72.35 H new ATOM 0 HD12 LEU A 4 -0.166 -9.318 0.785 1.00 72.35 H new ATOM 0 HD13 LEU A 4 0.903 -10.561 1.476 1.00 72.35 H new ATOM 0 HD21 LEU A 4 3.481 -8.891 1.245 1.00 52.13 H new ATOM 0 HD22 LEU A 4 3.364 -10.600 0.761 1.00 52.13 H new ATOM 0 HD23 LEU A 4 3.932 -9.382 -0.405 1.00 52.13 H new ATOM 65 N THR A 5 2.352 -11.804 -4.109 1.00 44.52 N ATOM 66 CA THR A 5 1.914 -12.724 -5.151 1.00 1.31 C ATOM 67 C THR A 5 1.066 -13.849 -4.569 1.00 62.12 C ATOM 68 O THR A 5 1.505 -14.572 -3.675 1.00 23.30 O ATOM 69 CB THR A 5 3.112 -13.335 -5.902 1.00 4.45 C ATOM 70 OG1 THR A 5 4.325 -12.692 -5.494 1.00 2.33 O ATOM 71 CG2 THR A 5 2.938 -13.192 -7.406 1.00 62.30 C ATOM 0 H THR A 5 3.314 -11.945 -3.800 1.00 44.52 H new ATOM 0 HA THR A 5 1.313 -12.145 -5.852 1.00 1.31 H new ATOM 0 HB THR A 5 3.163 -14.396 -5.658 1.00 4.45 H new ATOM 0 HG1 THR A 5 5.082 -13.087 -5.974 1.00 2.33 H new ATOM 0 HG21 THR A 5 3.796 -13.631 -7.915 1.00 62.30 H new ATOM 0 HG22 THR A 5 2.029 -13.707 -7.718 1.00 62.30 H new ATOM 0 HG23 THR A 5 2.864 -12.136 -7.665 1.00 62.30 H new ATOM 79 N VAL A 6 -0.151 -13.993 -5.083 1.00 15.41 N ATOM 80 CA VAL A 6 -1.061 -15.032 -4.615 1.00 42.03 C ATOM 81 C VAL A 6 -1.225 -16.129 -5.661 1.00 34.21 C ATOM 82 O VAL A 6 -1.474 -15.852 -6.834 1.00 60.14 O ATOM 83 CB VAL A 6 -2.446 -14.453 -4.272 1.00 52.13 C ATOM 84 CG1 VAL A 6 -3.022 -13.703 -5.464 1.00 62.42 C ATOM 85 CG2 VAL A 6 -3.389 -15.559 -3.822 1.00 3.33 C ATOM 0 H VAL A 6 -0.530 -13.403 -5.824 1.00 15.41 H new ATOM 0 HA VAL A 6 -0.620 -15.456 -3.713 1.00 42.03 H new ATOM 0 HB VAL A 6 -2.332 -13.747 -3.450 1.00 52.13 H new ATOM 0 HG11 VAL A 6 -4.001 -13.301 -5.203 1.00 62.42 H new ATOM 0 HG12 VAL A 6 -2.355 -12.885 -5.736 1.00 62.42 H new ATOM 0 HG13 VAL A 6 -3.123 -14.385 -6.308 1.00 62.42 H new ATOM 0 HG21 VAL A 6 -4.363 -15.132 -3.584 1.00 3.33 H new ATOM 0 HG22 VAL A 6 -3.500 -16.291 -4.622 1.00 3.33 H new ATOM 0 HG23 VAL A 6 -2.981 -16.048 -2.937 1.00 3.33 H new ATOM 95 N LYS A 7 -1.086 -17.377 -5.228 1.00 24.55 N ATOM 96 CA LYS A 7 -1.220 -18.519 -6.125 1.00 13.04 C ATOM 97 C LYS A 7 -2.478 -19.320 -5.801 1.00 44.21 C ATOM 98 O LYS A 7 -2.917 -19.366 -4.653 1.00 23.35 O ATOM 99 CB LYS A 7 0.012 -19.421 -6.024 1.00 32.10 C ATOM 100 CG LYS A 7 1.320 -18.696 -6.289 1.00 12.02 C ATOM 101 CD LYS A 7 2.340 -19.609 -6.948 1.00 51.13 C ATOM 102 CE LYS A 7 2.689 -20.791 -6.057 1.00 1.54 C ATOM 103 NZ LYS A 7 3.290 -20.353 -4.766 1.00 70.12 N ATOM 0 H LYS A 7 -0.880 -17.624 -4.260 1.00 24.55 H new ATOM 0 HA LYS A 7 -1.303 -18.141 -7.144 1.00 13.04 H new ATOM 0 HB2 LYS A 7 0.047 -19.864 -5.029 1.00 32.10 H new ATOM 0 HB3 LYS A 7 -0.089 -20.241 -6.735 1.00 32.10 H new ATOM 0 HG2 LYS A 7 1.136 -17.833 -6.929 1.00 12.02 H new ATOM 0 HG3 LYS A 7 1.723 -18.316 -5.350 1.00 12.02 H new ATOM 0 HD2 LYS A 7 1.945 -19.972 -7.897 1.00 51.13 H new ATOM 0 HD3 LYS A 7 3.244 -19.043 -7.174 1.00 51.13 H new ATOM 0 HE2 LYS A 7 1.790 -21.375 -5.860 1.00 1.54 H new ATOM 0 HE3 LYS A 7 3.387 -21.446 -6.579 1.00 1.54 H new ATOM 0 HZ1 LYS A 7 3.668 -21.180 -4.261 1.00 70.12 H new ATOM 0 HZ2 LYS A 7 4.060 -19.679 -4.952 1.00 70.12 H new ATOM 0 HZ3 LYS A 7 2.562 -19.894 -4.182 1.00 70.12 H new ATOM 117 N ALA A 8 -3.051 -19.950 -6.821 1.00 51.21 N ATOM 118 CA ALA A 8 -4.255 -20.752 -6.644 1.00 55.50 C ATOM 119 C ALA A 8 -4.065 -22.159 -7.199 1.00 4.00 C ATOM 120 O ALA A 8 -3.291 -22.369 -8.134 1.00 14.51 O ATOM 121 CB ALA A 8 -5.443 -20.075 -7.313 1.00 0.02 C ATOM 0 H ALA A 8 -2.701 -19.920 -7.779 1.00 51.21 H new ATOM 0 HA ALA A 8 -4.452 -20.835 -5.575 1.00 55.50 H new ATOM 0 HB1 ALA A 8 -6.336 -20.685 -7.173 1.00 0.02 H new ATOM 0 HB2 ALA A 8 -5.601 -19.093 -6.867 1.00 0.02 H new ATOM 0 HB3 ALA A 8 -5.244 -19.962 -8.379 1.00 0.02 H new ATOM 127 N TYR A 9 -4.773 -23.120 -6.617 1.00 61.31 N ATOM 128 CA TYR A 9 -4.679 -24.509 -7.052 1.00 2.13 C ATOM 129 C TYR A 9 -6.063 -25.089 -7.325 1.00 70.13 C ATOM 130 O TYR A 9 -6.924 -25.114 -6.445 1.00 20.52 O ATOM 131 CB TYR A 9 -3.962 -25.349 -5.994 1.00 5.14 C ATOM 132 CG TYR A 9 -2.528 -24.930 -5.757 1.00 51.23 C ATOM 133 CD1 TYR A 9 -1.502 -25.407 -6.565 1.00 14.44 C ATOM 134 CD2 TYR A 9 -2.199 -24.058 -4.727 1.00 30.34 C ATOM 135 CE1 TYR A 9 -0.191 -25.027 -6.352 1.00 71.12 C ATOM 136 CE2 TYR A 9 -0.891 -23.672 -4.508 1.00 22.32 C ATOM 137 CZ TYR A 9 0.109 -24.160 -5.323 1.00 5.50 C ATOM 138 OH TYR A 9 1.414 -23.779 -5.107 1.00 41.54 O ATOM 0 H TYR A 9 -5.418 -22.963 -5.843 1.00 61.31 H new ATOM 0 HA TYR A 9 -4.105 -24.535 -7.978 1.00 2.13 H new ATOM 0 HB2 TYR A 9 -4.511 -25.281 -5.055 1.00 5.14 H new ATOM 0 HB3 TYR A 9 -3.980 -26.395 -6.299 1.00 5.14 H new ATOM 0 HD1 TYR A 9 -1.734 -26.086 -7.372 1.00 14.44 H new ATOM 0 HD2 TYR A 9 -2.980 -23.675 -4.086 1.00 30.34 H new ATOM 0 HE1 TYR A 9 0.595 -25.407 -6.988 1.00 71.12 H new ATOM 0 HE2 TYR A 9 -0.653 -22.992 -3.703 1.00 22.32 H new ATOM 0 HH TYR A 9 1.453 -23.165 -4.345 1.00 41.54 H new ATOM 148 N LEU A 10 -6.270 -25.555 -8.552 1.00 62.10 N ATOM 149 CA LEU A 10 -7.549 -26.137 -8.944 1.00 1.20 C ATOM 150 C LEU A 10 -7.603 -27.620 -8.594 1.00 23.33 C ATOM 151 O LEU A 10 -6.646 -28.360 -8.829 1.00 74.05 O ATOM 152 CB LEU A 10 -7.780 -25.947 -10.444 1.00 43.51 C ATOM 153 CG LEU A 10 -9.203 -25.576 -10.863 1.00 31.24 C ATOM 154 CD1 LEU A 10 -9.342 -25.617 -12.376 1.00 40.35 C ATOM 155 CD2 LEU A 10 -10.211 -26.509 -10.207 1.00 53.15 C ATOM 0 H LEU A 10 -5.569 -25.541 -9.292 1.00 62.10 H new ATOM 0 HA LEU A 10 -8.337 -25.624 -8.393 1.00 1.20 H new ATOM 0 HB2 LEU A 10 -7.104 -25.170 -10.800 1.00 43.51 H new ATOM 0 HB3 LEU A 10 -7.502 -26.869 -10.954 1.00 43.51 H new ATOM 0 HG LEU A 10 -9.407 -24.559 -10.528 1.00 31.24 H new ATOM 0 HD11 LEU A 10 -10.361 -25.350 -12.655 1.00 40.35 H new ATOM 0 HD12 LEU A 10 -8.646 -24.909 -12.825 1.00 40.35 H new ATOM 0 HD13 LEU A 10 -9.119 -26.622 -12.735 1.00 40.35 H new ATOM 0 HD21 LEU A 10 -11.219 -26.231 -10.516 1.00 53.15 H new ATOM 0 HD22 LEU A 10 -10.008 -27.536 -10.512 1.00 53.15 H new ATOM 0 HD23 LEU A 10 -10.129 -26.429 -9.123 1.00 53.15 H new ATOM 167 N LEU A 11 -8.727 -28.050 -8.032 1.00 12.32 N ATOM 168 CA LEU A 11 -8.907 -29.446 -7.651 1.00 34.41 C ATOM 169 C LEU A 11 -10.083 -30.067 -8.399 1.00 22.43 C ATOM 170 O LEU A 11 -11.231 -29.668 -8.212 1.00 34.54 O ATOM 171 CB LEU A 11 -9.131 -29.559 -6.142 1.00 33.11 C ATOM 172 CG LEU A 11 -8.238 -28.683 -5.263 1.00 41.34 C ATOM 173 CD1 LEU A 11 -8.557 -28.901 -3.792 1.00 41.45 C ATOM 174 CD2 LEU A 11 -6.770 -28.971 -5.541 1.00 4.11 C ATOM 0 H LEU A 11 -9.528 -27.451 -7.830 1.00 12.32 H new ATOM 0 HA LEU A 11 -8.001 -29.990 -7.919 1.00 34.41 H new ATOM 0 HB2 LEU A 11 -10.171 -29.311 -5.930 1.00 33.11 H new ATOM 0 HB3 LEU A 11 -8.986 -30.599 -5.850 1.00 33.11 H new ATOM 0 HG LEU A 11 -8.435 -27.639 -5.505 1.00 41.34 H new ATOM 0 HD11 LEU A 11 -7.911 -28.269 -3.182 1.00 41.45 H new ATOM 0 HD12 LEU A 11 -9.599 -28.644 -3.604 1.00 41.45 H new ATOM 0 HD13 LEU A 11 -8.389 -29.947 -3.534 1.00 41.45 H new ATOM 0 HD21 LEU A 11 -6.149 -28.339 -4.907 1.00 4.11 H new ATOM 0 HD22 LEU A 11 -6.558 -30.019 -5.328 1.00 4.11 H new ATOM 0 HD23 LEU A 11 -6.550 -28.762 -6.588 1.00 4.11 H new ATOM 186 N GLY A 12 -9.787 -31.049 -9.246 1.00 1.22 N ATOM 187 CA GLY A 12 -10.830 -31.711 -10.007 1.00 42.14 C ATOM 188 C GLY A 12 -11.303 -32.992 -9.350 1.00 60.33 C ATOM 189 O GLY A 12 -12.007 -32.958 -8.341 1.00 30.41 O ATOM 0 H GLY A 12 -8.844 -31.397 -9.418 1.00 1.22 H new ATOM 0 HA2 GLY A 12 -11.675 -31.033 -10.125 1.00 42.14 H new ATOM 0 HA3 GLY A 12 -10.459 -31.935 -11.007 1.00 42.14 H new ATOM 193 N LYS A 13 -10.917 -34.127 -9.924 1.00 55.13 N ATOM 194 CA LYS A 13 -11.306 -35.426 -9.389 1.00 75.32 C ATOM 195 C LYS A 13 -10.236 -35.970 -8.448 1.00 12.31 C ATOM 196 O LYS A 13 -10.530 -36.354 -7.316 1.00 42.24 O ATOM 197 CB LYS A 13 -11.550 -36.418 -10.529 1.00 24.20 C ATOM 198 CG LYS A 13 -11.996 -37.791 -10.056 1.00 15.40 C ATOM 199 CD LYS A 13 -11.442 -38.894 -10.942 1.00 11.41 C ATOM 200 CE LYS A 13 -11.963 -40.260 -10.523 1.00 1.22 C ATOM 201 NZ LYS A 13 -13.333 -40.516 -11.047 1.00 11.32 N ATOM 0 H LYS A 13 -10.335 -34.173 -10.760 1.00 55.13 H new ATOM 0 HA LYS A 13 -12.229 -35.296 -8.824 1.00 75.32 H new ATOM 0 HB2 LYS A 13 -12.307 -36.010 -11.199 1.00 24.20 H new ATOM 0 HB3 LYS A 13 -10.634 -36.523 -11.110 1.00 24.20 H new ATOM 0 HG2 LYS A 13 -11.666 -37.948 -9.029 1.00 15.40 H new ATOM 0 HG3 LYS A 13 -13.085 -37.839 -10.052 1.00 15.40 H new ATOM 0 HD2 LYS A 13 -11.716 -38.701 -11.979 1.00 11.41 H new ATOM 0 HD3 LYS A 13 -10.353 -38.888 -10.894 1.00 11.41 H new ATOM 0 HE2 LYS A 13 -11.286 -41.034 -10.885 1.00 1.22 H new ATOM 0 HE3 LYS A 13 -11.972 -40.327 -9.435 1.00 1.22 H new ATOM 0 HZ1 LYS A 13 -13.652 -41.457 -10.740 1.00 11.32 H new ATOM 0 HZ2 LYS A 13 -13.985 -39.793 -10.682 1.00 11.32 H new ATOM 0 HZ3 LYS A 13 -13.320 -40.477 -12.086 1.00 11.32 H new ATOM 215 N GLU A 14 -8.995 -35.997 -8.923 1.00 60.12 N ATOM 216 CA GLU A 14 -7.882 -36.493 -8.122 1.00 41.04 C ATOM 217 C GLU A 14 -7.527 -35.506 -7.014 1.00 34.35 C ATOM 218 O GLU A 14 -6.834 -35.854 -6.058 1.00 41.04 O ATOM 219 CB GLU A 14 -6.659 -36.743 -9.008 1.00 12.13 C ATOM 220 CG GLU A 14 -6.804 -37.950 -9.919 1.00 53.23 C ATOM 221 CD GLU A 14 -6.363 -39.239 -9.255 1.00 24.32 C ATOM 222 OE1 GLU A 14 -5.396 -39.198 -8.465 1.00 13.03 O ATOM 223 OE2 GLU A 14 -6.982 -40.289 -9.525 1.00 34.12 O ATOM 0 H GLU A 14 -8.735 -35.682 -9.858 1.00 60.12 H new ATOM 0 HA GLU A 14 -8.188 -37.433 -7.663 1.00 41.04 H new ATOM 0 HB2 GLU A 14 -6.476 -35.858 -9.618 1.00 12.13 H new ATOM 0 HB3 GLU A 14 -5.783 -36.880 -8.374 1.00 12.13 H new ATOM 0 HG2 GLU A 14 -7.845 -38.043 -10.229 1.00 53.23 H new ATOM 0 HG3 GLU A 14 -6.215 -37.791 -10.822 1.00 53.23 H new ATOM 230 N GLU A 15 -8.009 -34.275 -7.149 1.00 44.53 N ATOM 231 CA GLU A 15 -7.741 -33.237 -6.160 1.00 32.32 C ATOM 232 C GLU A 15 -6.241 -32.999 -6.014 1.00 11.35 C ATOM 233 O GLU A 15 -5.738 -32.805 -4.907 1.00 63.24 O ATOM 234 CB GLU A 15 -8.341 -33.625 -4.807 1.00 34.21 C ATOM 235 CG GLU A 15 -9.853 -33.778 -4.833 1.00 1.43 C ATOM 236 CD GLU A 15 -10.375 -34.616 -3.682 1.00 65.20 C ATOM 237 OE1 GLU A 15 -10.094 -35.833 -3.659 1.00 1.33 O ATOM 238 OE2 GLU A 15 -11.063 -34.055 -2.804 1.00 55.04 O ATOM 0 H GLU A 15 -8.587 -33.972 -7.933 1.00 44.53 H new ATOM 0 HA GLU A 15 -8.206 -32.313 -6.505 1.00 32.32 H new ATOM 0 HB2 GLU A 15 -7.895 -34.563 -4.477 1.00 34.21 H new ATOM 0 HB3 GLU A 15 -8.073 -32.868 -4.070 1.00 34.21 H new ATOM 0 HG2 GLU A 15 -10.315 -32.791 -4.798 1.00 1.43 H new ATOM 0 HG3 GLU A 15 -10.152 -34.236 -5.776 1.00 1.43 H new ATOM 245 N ALA A 16 -5.533 -33.015 -7.138 1.00 41.10 N ATOM 246 CA ALA A 16 -4.091 -32.799 -7.136 1.00 74.01 C ATOM 247 C ALA A 16 -3.745 -31.403 -7.642 1.00 4.10 C ATOM 248 O ALA A 16 -3.254 -30.563 -6.888 1.00 20.42 O ATOM 249 CB ALA A 16 -3.398 -33.856 -7.983 1.00 33.54 C ATOM 0 H ALA A 16 -5.934 -33.175 -8.062 1.00 41.10 H new ATOM 0 HA ALA A 16 -3.737 -32.883 -6.108 1.00 74.01 H new ATOM 0 HB1 ALA A 16 -2.322 -33.683 -7.973 1.00 33.54 H new ATOM 0 HB2 ALA A 16 -3.610 -34.845 -7.576 1.00 33.54 H new ATOM 0 HB3 ALA A 16 -3.765 -33.799 -9.008 1.00 33.54 H new ATOM 255 N ALA A 17 -4.002 -31.162 -8.923 1.00 53.13 N ATOM 256 CA ALA A 17 -3.718 -29.867 -9.529 1.00 55.11 C ATOM 257 C ALA A 17 -4.144 -29.841 -10.993 1.00 43.33 C ATOM 258 O ALA A 17 -3.445 -30.363 -11.862 1.00 2.12 O ATOM 259 CB ALA A 17 -2.239 -29.537 -9.401 1.00 65.54 C ATOM 0 H ALA A 17 -4.407 -31.847 -9.562 1.00 53.13 H new ATOM 0 HA ALA A 17 -4.294 -29.110 -8.997 1.00 55.11 H new ATOM 0 HB1 ALA A 17 -2.042 -28.567 -9.858 1.00 65.54 H new ATOM 0 HB2 ALA A 17 -1.963 -29.504 -8.347 1.00 65.54 H new ATOM 0 HB3 ALA A 17 -1.650 -30.303 -9.906 1.00 65.54 H new ATOM 265 N ARG A 18 -5.294 -29.230 -11.260 1.00 21.52 N ATOM 266 CA ARG A 18 -5.813 -29.138 -12.619 1.00 61.41 C ATOM 267 C ARG A 18 -5.263 -27.904 -13.328 1.00 74.24 C ATOM 268 O ARG A 18 -4.766 -27.992 -14.450 1.00 63.13 O ATOM 269 CB ARG A 18 -7.342 -29.091 -12.602 1.00 21.51 C ATOM 270 CG ARG A 18 -7.996 -30.438 -12.867 1.00 44.33 C ATOM 271 CD ARG A 18 -9.370 -30.275 -13.497 1.00 34.05 C ATOM 272 NE ARG A 18 -9.305 -30.245 -14.955 1.00 63.42 N ATOM 273 CZ ARG A 18 -10.332 -29.915 -15.731 1.00 25.45 C ATOM 274 NH1 ARG A 18 -11.497 -29.588 -15.189 1.00 61.33 N ATOM 275 NH2 ARG A 18 -10.194 -29.912 -17.050 1.00 43.32 N ATOM 0 H ARG A 18 -5.884 -28.791 -10.553 1.00 21.52 H new ATOM 0 HA ARG A 18 -5.490 -30.024 -13.165 1.00 61.41 H new ATOM 0 HB2 ARG A 18 -7.675 -28.719 -11.633 1.00 21.51 H new ATOM 0 HB3 ARG A 18 -7.683 -28.377 -13.352 1.00 21.51 H new ATOM 0 HG2 ARG A 18 -7.360 -31.029 -13.526 1.00 44.33 H new ATOM 0 HG3 ARG A 18 -8.086 -30.990 -11.932 1.00 44.33 H new ATOM 0 HD2 ARG A 18 -10.013 -31.096 -13.180 1.00 34.05 H new ATOM 0 HD3 ARG A 18 -9.827 -29.354 -13.136 1.00 34.05 H new ATOM 0 HE ARG A 18 -8.422 -30.491 -15.403 1.00 63.42 H new ATOM 0 HH11 ARG A 18 -11.606 -29.589 -14.175 1.00 61.33 H new ATOM 0 HH12 ARG A 18 -12.284 -29.335 -15.786 1.00 61.33 H new ATOM 0 HH21 ARG A 18 -9.299 -30.163 -17.470 1.00 43.32 H new ATOM 0 HH22 ARG A 18 -10.983 -29.659 -17.645 1.00 43.32 H new ATOM 289 N GLU A 19 -5.358 -26.756 -12.666 1.00 13.32 N ATOM 290 CA GLU A 19 -4.872 -25.504 -13.234 1.00 62.12 C ATOM 291 C GLU A 19 -4.120 -24.687 -12.188 1.00 23.15 C ATOM 292 O GLU A 19 -4.337 -24.848 -10.986 1.00 41.21 O ATOM 293 CB GLU A 19 -6.037 -24.686 -13.795 1.00 62.01 C ATOM 294 CG GLU A 19 -6.335 -24.974 -15.257 1.00 22.20 C ATOM 295 CD GLU A 19 -5.408 -24.230 -16.199 1.00 20.32 C ATOM 296 OE1 GLU A 19 -5.170 -23.026 -15.970 1.00 74.01 O ATOM 297 OE2 GLU A 19 -4.920 -24.854 -17.165 1.00 11.40 O ATOM 0 H GLU A 19 -5.767 -26.667 -11.736 1.00 13.32 H new ATOM 0 HA GLU A 19 -4.184 -25.746 -14.044 1.00 62.12 H new ATOM 0 HB2 GLU A 19 -6.930 -24.889 -13.204 1.00 62.01 H new ATOM 0 HB3 GLU A 19 -5.813 -23.625 -13.681 1.00 62.01 H new ATOM 0 HG2 GLU A 19 -6.247 -26.045 -15.438 1.00 22.20 H new ATOM 0 HG3 GLU A 19 -7.367 -24.698 -15.475 1.00 22.20 H new ATOM 304 N ILE A 20 -3.235 -23.812 -12.653 1.00 1.24 N ATOM 305 CA ILE A 20 -2.451 -22.970 -11.758 1.00 12.45 C ATOM 306 C ILE A 20 -2.372 -21.538 -12.278 1.00 33.40 C ATOM 307 O ILE A 20 -1.998 -21.305 -13.427 1.00 43.12 O ATOM 308 CB ILE A 20 -1.023 -23.517 -11.576 1.00 33.23 C ATOM 309 CG1 ILE A 20 -1.066 -25.004 -11.217 1.00 3.03 C ATOM 310 CG2 ILE A 20 -0.286 -22.729 -10.504 1.00 12.34 C ATOM 311 CD1 ILE A 20 -1.697 -25.283 -9.871 1.00 12.23 C ATOM 0 H ILE A 20 -3.043 -23.668 -13.644 1.00 1.24 H new ATOM 0 HA ILE A 20 -2.959 -22.977 -10.794 1.00 12.45 H new ATOM 0 HB ILE A 20 -0.484 -23.404 -12.517 1.00 33.23 H new ATOM 0 HG12 ILE A 20 -1.621 -25.539 -11.987 1.00 3.03 H new ATOM 0 HG13 ILE A 20 -0.051 -25.400 -11.222 1.00 3.03 H new ATOM 0 HG21 ILE A 20 0.722 -23.128 -10.387 1.00 12.34 H new ATOM 0 HG22 ILE A 20 -0.230 -21.681 -10.797 1.00 12.34 H new ATOM 0 HG23 ILE A 20 -0.821 -22.813 -9.558 1.00 12.34 H new ATOM 0 HD11 ILE A 20 -1.693 -26.357 -9.683 1.00 12.23 H new ATOM 0 HD12 ILE A 20 -1.129 -24.776 -9.091 1.00 12.23 H new ATOM 0 HD13 ILE A 20 -2.724 -24.918 -9.868 1.00 12.23 H new ATOM 323 N ARG A 21 -2.726 -20.584 -11.424 1.00 11.31 N ATOM 324 CA ARG A 21 -2.695 -19.175 -11.797 1.00 42.32 C ATOM 325 C ARG A 21 -2.377 -18.299 -10.589 1.00 24.13 C ATOM 326 O ARG A 21 -2.684 -18.658 -9.452 1.00 10.42 O ATOM 327 CB ARG A 21 -4.035 -18.756 -12.405 1.00 21.21 C ATOM 328 CG ARG A 21 -4.294 -19.355 -13.778 1.00 14.52 C ATOM 329 CD ARG A 21 -3.252 -18.902 -14.789 1.00 15.23 C ATOM 330 NE ARG A 21 -3.176 -17.446 -14.882 1.00 33.42 N ATOM 331 CZ ARG A 21 -2.224 -16.801 -15.546 1.00 22.31 C ATOM 332 NH1 ARG A 21 -1.272 -17.479 -16.172 1.00 72.53 N ATOM 333 NH2 ARG A 21 -2.222 -15.475 -15.585 1.00 12.12 N ATOM 0 H ARG A 21 -3.038 -20.761 -10.469 1.00 11.31 H new ATOM 0 HA ARG A 21 -1.909 -19.040 -12.540 1.00 42.32 H new ATOM 0 HB2 ARG A 21 -4.839 -19.052 -11.731 1.00 21.21 H new ATOM 0 HB3 ARG A 21 -4.066 -17.669 -12.480 1.00 21.21 H new ATOM 0 HG2 ARG A 21 -4.287 -20.443 -13.709 1.00 14.52 H new ATOM 0 HG3 ARG A 21 -5.287 -19.064 -14.122 1.00 14.52 H new ATOM 0 HD2 ARG A 21 -2.277 -19.299 -14.507 1.00 15.23 H new ATOM 0 HD3 ARG A 21 -3.493 -19.316 -15.768 1.00 15.23 H new ATOM 0 HE ARG A 21 -3.893 -16.895 -14.411 1.00 33.42 H new ATOM 0 HH11 ARG A 21 -1.270 -18.499 -16.144 1.00 72.53 H new ATOM 0 HH12 ARG A 21 -0.542 -16.981 -16.681 1.00 72.53 H new ATOM 0 HH21 ARG A 21 -2.952 -14.950 -15.105 1.00 12.12 H new ATOM 0 HH22 ARG A 21 -1.490 -14.981 -16.095 1.00 12.12 H new ATOM 347 N ARG A 22 -1.759 -17.150 -10.843 1.00 63.31 N ATOM 348 CA ARG A 22 -1.397 -16.225 -9.776 1.00 52.44 C ATOM 349 C ARG A 22 -1.428 -14.783 -10.274 1.00 51.53 C ATOM 350 O ARG A 22 -1.357 -14.528 -11.477 1.00 33.31 O ATOM 351 CB ARG A 22 -0.007 -16.558 -9.232 1.00 41.23 C ATOM 352 CG ARG A 22 1.038 -16.767 -10.317 1.00 14.44 C ATOM 353 CD ARG A 22 2.365 -17.221 -9.731 1.00 45.30 C ATOM 354 NE ARG A 22 3.499 -16.782 -10.540 1.00 42.32 N ATOM 355 CZ ARG A 22 3.802 -17.301 -11.725 1.00 35.22 C ATOM 356 NH1 ARG A 22 3.058 -18.273 -12.236 1.00 11.24 N ATOM 357 NH2 ARG A 22 4.849 -16.848 -12.401 1.00 65.53 N ATOM 0 H ARG A 22 -1.499 -16.838 -11.778 1.00 63.31 H new ATOM 0 HA ARG A 22 -2.128 -16.331 -8.974 1.00 52.44 H new ATOM 0 HB2 ARG A 22 0.320 -15.752 -8.575 1.00 41.23 H new ATOM 0 HB3 ARG A 22 -0.071 -17.459 -8.623 1.00 41.23 H new ATOM 0 HG2 ARG A 22 0.680 -17.510 -11.030 1.00 14.44 H new ATOM 0 HG3 ARG A 22 1.181 -15.838 -10.869 1.00 14.44 H new ATOM 0 HD2 ARG A 22 2.468 -16.828 -8.719 1.00 45.30 H new ATOM 0 HD3 ARG A 22 2.374 -18.308 -9.654 1.00 45.30 H new ATOM 0 HE ARG A 22 4.091 -16.036 -10.175 1.00 42.32 H new ATOM 0 HH11 ARG A 22 2.252 -18.623 -11.719 1.00 11.24 H new ATOM 0 HH12 ARG A 22 3.292 -18.670 -13.146 1.00 11.24 H new ATOM 0 HH21 ARG A 22 5.423 -16.100 -12.011 1.00 65.53 H new ATOM 0 HH22 ARG A 22 5.080 -17.247 -13.311 1.00 65.53 H new ATOM 371 N PHE A 23 -1.535 -13.842 -9.341 1.00 62.15 N ATOM 372 CA PHE A 23 -1.577 -12.426 -9.685 1.00 43.43 C ATOM 373 C PHE A 23 -1.040 -11.572 -8.540 1.00 13.21 C ATOM 374 O PHE A 23 -0.998 -12.011 -7.391 1.00 34.22 O ATOM 375 CB PHE A 23 -3.008 -12.003 -10.024 1.00 62.42 C ATOM 376 CG PHE A 23 -4.009 -12.377 -8.969 1.00 21.32 C ATOM 377 CD1 PHE A 23 -4.624 -13.619 -8.987 1.00 44.03 C ATOM 378 CD2 PHE A 23 -4.335 -11.488 -7.958 1.00 40.50 C ATOM 379 CE1 PHE A 23 -5.546 -13.965 -8.018 1.00 22.12 C ATOM 380 CE2 PHE A 23 -5.256 -11.828 -6.985 1.00 72.35 C ATOM 381 CZ PHE A 23 -5.862 -13.069 -7.015 1.00 25.30 C ATOM 0 H PHE A 23 -1.594 -14.035 -8.341 1.00 62.15 H new ATOM 0 HA PHE A 23 -0.944 -12.271 -10.559 1.00 43.43 H new ATOM 0 HB2 PHE A 23 -3.034 -10.923 -10.172 1.00 62.42 H new ATOM 0 HB3 PHE A 23 -3.300 -12.461 -10.969 1.00 62.42 H new ATOM 0 HD1 PHE A 23 -4.380 -14.324 -9.767 1.00 44.03 H new ATOM 0 HD2 PHE A 23 -3.864 -10.517 -7.930 1.00 40.50 H new ATOM 0 HE1 PHE A 23 -6.019 -14.935 -8.045 1.00 22.12 H new ATOM 0 HE2 PHE A 23 -5.501 -11.125 -6.203 1.00 72.35 H new ATOM 0 HZ PHE A 23 -6.581 -13.338 -6.256 1.00 25.30 H new ATOM 391 N SER A 24 -0.631 -10.349 -8.863 1.00 25.33 N ATOM 392 CA SER A 24 -0.092 -9.435 -7.863 1.00 14.54 C ATOM 393 C SER A 24 -1.209 -8.853 -7.001 1.00 55.25 C ATOM 394 O SER A 24 -2.177 -8.291 -7.516 1.00 21.04 O ATOM 395 CB SER A 24 0.686 -8.305 -8.540 1.00 55.22 C ATOM 396 OG SER A 24 0.042 -7.885 -9.731 1.00 14.35 O ATOM 0 H SER A 24 -0.663 -9.969 -9.809 1.00 25.33 H new ATOM 0 HA SER A 24 0.585 -9.998 -7.220 1.00 14.54 H new ATOM 0 HB2 SER A 24 0.778 -7.462 -7.856 1.00 55.22 H new ATOM 0 HB3 SER A 24 1.697 -8.642 -8.769 1.00 55.22 H new ATOM 0 HG SER A 24 -0.924 -7.826 -9.577 1.00 14.35 H new ATOM 402 N PHE A 25 -1.068 -8.992 -5.687 1.00 54.14 N ATOM 403 CA PHE A 25 -2.065 -8.482 -4.753 1.00 51.33 C ATOM 404 C PHE A 25 -1.484 -7.361 -3.897 1.00 11.34 C ATOM 405 O PHE A 25 -0.266 -7.229 -3.771 1.00 10.40 O ATOM 406 CB PHE A 25 -2.579 -9.610 -3.857 1.00 13.14 C ATOM 407 CG PHE A 25 -3.796 -9.235 -3.059 1.00 45.21 C ATOM 408 CD1 PHE A 25 -5.022 -9.064 -3.680 1.00 51.13 C ATOM 409 CD2 PHE A 25 -3.712 -9.052 -1.688 1.00 60.40 C ATOM 410 CE1 PHE A 25 -6.143 -8.719 -2.949 1.00 74.13 C ATOM 411 CE2 PHE A 25 -4.830 -8.708 -0.952 1.00 22.01 C ATOM 412 CZ PHE A 25 -6.047 -8.540 -1.583 1.00 43.13 C ATOM 0 H PHE A 25 -0.273 -9.454 -5.245 1.00 54.14 H new ATOM 0 HA PHE A 25 -2.897 -8.080 -5.331 1.00 51.33 H new ATOM 0 HB2 PHE A 25 -2.813 -10.477 -4.475 1.00 13.14 H new ATOM 0 HB3 PHE A 25 -1.785 -9.911 -3.174 1.00 13.14 H new ATOM 0 HD1 PHE A 25 -5.103 -9.202 -4.748 1.00 51.13 H new ATOM 0 HD2 PHE A 25 -2.763 -9.180 -1.189 1.00 60.40 H new ATOM 0 HE1 PHE A 25 -7.093 -8.589 -3.446 1.00 74.13 H new ATOM 0 HE2 PHE A 25 -4.752 -8.571 0.116 1.00 22.01 H new ATOM 0 HZ PHE A 25 -6.921 -8.269 -1.010 1.00 43.13 H new ATOM 598 N GLY A 40 -13.840 -6.973 0.860 1.00 31.24 N ATOM 599 CA GLY A 40 -12.784 -6.305 0.123 1.00 4.25 C ATOM 600 C GLY A 40 -11.882 -7.279 -0.609 1.00 53.44 C ATOM 601 O GLY A 40 -11.969 -7.442 -1.827 1.00 21.35 O ATOM 0 HA2 GLY A 40 -13.227 -5.615 -0.595 1.00 4.25 H new ATOM 0 HA3 GLY A 40 -12.186 -5.708 0.812 1.00 4.25 H new ATOM 605 N PRO A 41 -10.991 -7.945 0.140 1.00 51.32 N ATOM 606 CA PRO A 41 -10.052 -8.918 -0.425 1.00 41.15 C ATOM 607 C PRO A 41 -10.749 -10.188 -0.900 1.00 71.22 C ATOM 608 O PRO A 41 -10.406 -10.743 -1.945 1.00 41.51 O ATOM 609 CB PRO A 41 -9.115 -9.228 0.745 1.00 41.43 C ATOM 610 CG PRO A 41 -9.922 -8.939 1.963 1.00 32.10 C ATOM 611 CD PRO A 41 -10.832 -7.799 1.597 1.00 71.45 C ATOM 0 HA PRO A 41 -9.542 -8.528 -1.306 1.00 41.15 H new ATOM 0 HB2 PRO A 41 -8.787 -10.267 0.725 1.00 41.43 H new ATOM 0 HB3 PRO A 41 -8.218 -8.610 0.708 1.00 41.43 H new ATOM 0 HG2 PRO A 41 -10.496 -9.814 2.267 1.00 32.10 H new ATOM 0 HG3 PRO A 41 -9.280 -8.672 2.802 1.00 32.10 H new ATOM 0 HD2 PRO A 41 -11.789 -7.866 2.115 1.00 71.45 H new ATOM 0 HD3 PRO A 41 -10.395 -6.836 1.859 1.00 71.45 H new ATOM 619 N CYS A 42 -11.729 -10.644 -0.127 1.00 43.24 N ATOM 620 CA CYS A 42 -12.474 -11.850 -0.469 1.00 54.13 C ATOM 621 C CYS A 42 -13.137 -11.710 -1.836 1.00 34.13 C ATOM 622 O CYS A 42 -12.975 -12.566 -2.705 1.00 42.41 O ATOM 623 CB CYS A 42 -13.532 -12.140 0.597 1.00 63.32 C ATOM 624 SG CYS A 42 -14.646 -13.502 0.180 1.00 24.21 S ATOM 0 H CYS A 42 -12.026 -10.197 0.740 1.00 43.24 H new ATOM 0 HA CYS A 42 -11.772 -12.682 -0.509 1.00 54.13 H new ATOM 0 HB2 CYS A 42 -13.031 -12.369 1.538 1.00 63.32 H new ATOM 0 HB3 CYS A 42 -14.123 -11.239 0.762 1.00 63.32 H new ATOM 0 HG CYS A 42 -15.856 -13.200 0.546 1.00 24.21 H new ATOM 630 N GLU A 43 -13.886 -10.627 -2.016 1.00 53.43 N ATOM 631 CA GLU A 43 -14.576 -10.377 -3.277 1.00 20.04 C ATOM 632 C GLU A 43 -13.579 -10.236 -4.424 1.00 34.14 C ATOM 633 O GLU A 43 -13.720 -10.879 -5.464 1.00 42.33 O ATOM 634 CB GLU A 43 -15.433 -9.114 -3.173 1.00 50.30 C ATOM 635 CG GLU A 43 -16.017 -8.664 -4.502 1.00 13.14 C ATOM 636 CD GLU A 43 -16.917 -7.451 -4.363 1.00 21.14 C ATOM 637 OE1 GLU A 43 -16.820 -6.756 -3.329 1.00 64.52 O ATOM 638 OE2 GLU A 43 -17.718 -7.197 -5.286 1.00 42.22 O ATOM 0 H GLU A 43 -14.031 -9.909 -1.306 1.00 53.43 H new ATOM 0 HA GLU A 43 -15.223 -11.230 -3.483 1.00 20.04 H new ATOM 0 HB2 GLU A 43 -16.247 -9.294 -2.470 1.00 50.30 H new ATOM 0 HB3 GLU A 43 -14.828 -8.307 -2.760 1.00 50.30 H new ATOM 0 HG2 GLU A 43 -15.205 -8.432 -5.192 1.00 13.14 H new ATOM 0 HG3 GLU A 43 -16.584 -9.484 -4.942 1.00 13.14 H new ATOM 645 N ARG A 44 -12.573 -9.391 -4.225 1.00 55.41 N ATOM 646 CA ARG A 44 -11.554 -9.163 -5.243 1.00 33.44 C ATOM 647 C ARG A 44 -10.885 -10.474 -5.644 1.00 24.54 C ATOM 648 O ARG A 44 -10.807 -10.808 -6.827 1.00 30.02 O ATOM 649 CB ARG A 44 -10.503 -8.177 -4.730 1.00 70.15 C ATOM 650 CG ARG A 44 -10.431 -6.891 -5.537 1.00 44.21 C ATOM 651 CD ARG A 44 -11.733 -6.109 -5.457 1.00 64.24 C ATOM 652 NE ARG A 44 -11.810 -5.069 -6.480 1.00 32.40 N ATOM 653 CZ ARG A 44 -12.157 -5.303 -7.741 1.00 10.12 C ATOM 654 NH1 ARG A 44 -12.457 -6.534 -8.132 1.00 51.42 N ATOM 655 NH2 ARG A 44 -12.205 -4.304 -8.613 1.00 22.00 N ATOM 0 H ARG A 44 -12.442 -8.853 -3.368 1.00 55.41 H new ATOM 0 HA ARG A 44 -12.041 -8.740 -6.122 1.00 33.44 H new ATOM 0 HB2 ARG A 44 -10.723 -7.932 -3.691 1.00 70.15 H new ATOM 0 HB3 ARG A 44 -9.526 -8.660 -4.744 1.00 70.15 H new ATOM 0 HG2 ARG A 44 -9.612 -6.274 -5.168 1.00 44.21 H new ATOM 0 HG3 ARG A 44 -10.210 -7.126 -6.578 1.00 44.21 H new ATOM 0 HD2 ARG A 44 -12.574 -6.793 -5.571 1.00 64.24 H new ATOM 0 HD3 ARG A 44 -11.823 -5.655 -4.470 1.00 64.24 H new ATOM 0 HE ARG A 44 -11.585 -4.111 -6.212 1.00 32.40 H new ATOM 0 HH11 ARG A 44 -12.422 -7.304 -7.464 1.00 51.42 H new ATOM 0 HH12 ARG A 44 -12.723 -6.711 -9.101 1.00 51.42 H new ATOM 0 HH21 ARG A 44 -11.975 -3.356 -8.315 1.00 22.00 H new ATOM 0 HH22 ARG A 44 -12.471 -4.484 -9.581 1.00 22.00 H new ATOM 669 N LEU A 45 -10.402 -11.214 -4.651 1.00 42.31 N ATOM 670 CA LEU A 45 -9.738 -12.489 -4.900 1.00 2.32 C ATOM 671 C LEU A 45 -10.667 -13.453 -5.630 1.00 63.04 C ATOM 672 O LEU A 45 -10.313 -14.002 -6.675 1.00 4.13 O ATOM 673 CB LEU A 45 -9.274 -13.110 -3.581 1.00 64.13 C ATOM 674 CG LEU A 45 -8.964 -14.607 -3.617 1.00 34.10 C ATOM 675 CD1 LEU A 45 -7.917 -14.911 -4.677 1.00 53.23 C ATOM 676 CD2 LEU A 45 -8.498 -15.088 -2.251 1.00 24.02 C ATOM 0 H LEU A 45 -10.458 -10.953 -3.667 1.00 42.31 H new ATOM 0 HA LEU A 45 -8.870 -12.302 -5.532 1.00 2.32 H new ATOM 0 HB2 LEU A 45 -8.380 -12.582 -3.248 1.00 64.13 H new ATOM 0 HB3 LEU A 45 -10.045 -12.937 -2.830 1.00 64.13 H new ATOM 0 HG LEU A 45 -9.878 -15.141 -3.876 1.00 34.10 H new ATOM 0 HD11 LEU A 45 -7.710 -15.981 -4.687 1.00 53.23 H new ATOM 0 HD12 LEU A 45 -8.289 -14.604 -5.654 1.00 53.23 H new ATOM 0 HD13 LEU A 45 -7.001 -14.366 -4.450 1.00 53.23 H new ATOM 0 HD21 LEU A 45 -8.282 -16.155 -2.295 1.00 24.02 H new ATOM 0 HD22 LEU A 45 -7.597 -14.547 -1.963 1.00 24.02 H new ATOM 0 HD23 LEU A 45 -9.281 -14.907 -1.515 1.00 24.02 H new ATOM 688 N LEU A 46 -11.857 -13.654 -5.076 1.00 52.52 N ATOM 689 CA LEU A 46 -12.839 -14.550 -5.676 1.00 72.12 C ATOM 690 C LEU A 46 -13.177 -14.114 -7.098 1.00 74.12 C ATOM 691 O LEU A 46 -13.637 -14.916 -7.911 1.00 54.11 O ATOM 692 CB LEU A 46 -14.110 -14.588 -4.826 1.00 75.23 C ATOM 693 CG LEU A 46 -14.006 -15.332 -3.495 1.00 24.34 C ATOM 694 CD1 LEU A 46 -15.342 -15.321 -2.770 1.00 15.42 C ATOM 695 CD2 LEU A 46 -13.530 -16.761 -3.718 1.00 13.42 C ATOM 0 H LEU A 46 -12.166 -13.208 -4.212 1.00 52.52 H new ATOM 0 HA LEU A 46 -12.406 -15.549 -5.716 1.00 72.12 H new ATOM 0 HB2 LEU A 46 -14.418 -13.562 -4.623 1.00 75.23 H new ATOM 0 HB3 LEU A 46 -14.903 -15.048 -5.415 1.00 75.23 H new ATOM 0 HG LEU A 46 -13.274 -14.819 -2.871 1.00 24.34 H new ATOM 0 HD11 LEU A 46 -15.247 -15.856 -1.825 1.00 15.42 H new ATOM 0 HD12 LEU A 46 -15.642 -14.291 -2.576 1.00 15.42 H new ATOM 0 HD13 LEU A 46 -16.096 -15.808 -3.389 1.00 15.42 H new ATOM 0 HD21 LEU A 46 -13.462 -17.276 -2.760 1.00 13.42 H new ATOM 0 HD22 LEU A 46 -14.238 -17.284 -4.361 1.00 13.42 H new ATOM 0 HD23 LEU A 46 -12.549 -16.748 -4.193 1.00 13.42 H new ATOM 707 N SER A 47 -12.944 -12.839 -7.392 1.00 11.00 N ATOM 708 CA SER A 47 -13.225 -12.296 -8.716 1.00 15.34 C ATOM 709 C SER A 47 -12.178 -12.755 -9.725 1.00 72.44 C ATOM 710 O SER A 47 -12.511 -13.314 -10.771 1.00 11.22 O ATOM 711 CB SER A 47 -13.265 -10.767 -8.665 1.00 30.11 C ATOM 712 OG SER A 47 -14.591 -10.286 -8.805 1.00 23.44 O ATOM 0 H SER A 47 -12.561 -12.163 -6.731 1.00 11.00 H new ATOM 0 HA SER A 47 -14.199 -12.668 -9.035 1.00 15.34 H new ATOM 0 HB2 SER A 47 -12.847 -10.421 -7.720 1.00 30.11 H new ATOM 0 HB3 SER A 47 -12.641 -10.357 -9.459 1.00 30.11 H new ATOM 0 HG SER A 47 -14.589 -9.307 -8.767 1.00 23.44 H new ATOM 718 N ARG A 48 -10.911 -12.516 -9.404 1.00 41.04 N ATOM 719 CA ARG A 48 -9.814 -12.904 -10.283 1.00 40.30 C ATOM 720 C ARG A 48 -9.815 -14.411 -10.521 1.00 41.13 C ATOM 721 O ARG A 48 -9.752 -14.870 -11.662 1.00 4.21 O ATOM 722 CB ARG A 48 -8.475 -12.472 -9.683 1.00 23.33 C ATOM 723 CG ARG A 48 -8.470 -11.042 -9.169 1.00 40.31 C ATOM 724 CD ARG A 48 -9.055 -10.081 -10.192 1.00 43.43 C ATOM 725 NE ARG A 48 -8.390 -8.781 -10.164 1.00 41.45 N ATOM 726 CZ ARG A 48 -7.160 -8.574 -10.622 1.00 70.10 C ATOM 727 NH1 ARG A 48 -6.465 -9.577 -11.140 1.00 61.23 N ATOM 728 NH2 ARG A 48 -6.623 -7.362 -10.562 1.00 73.11 N ATOM 0 H ARG A 48 -10.618 -12.056 -8.542 1.00 41.04 H new ATOM 0 HA ARG A 48 -9.954 -12.403 -11.241 1.00 40.30 H new ATOM 0 HB2 ARG A 48 -8.220 -13.144 -8.864 1.00 23.33 H new ATOM 0 HB3 ARG A 48 -7.696 -12.580 -10.438 1.00 23.33 H new ATOM 0 HG2 ARG A 48 -9.044 -10.985 -8.244 1.00 40.31 H new ATOM 0 HG3 ARG A 48 -7.449 -10.744 -8.930 1.00 40.31 H new ATOM 0 HD2 ARG A 48 -8.965 -10.513 -11.189 1.00 43.43 H new ATOM 0 HD3 ARG A 48 -10.119 -9.948 -9.998 1.00 43.43 H new ATOM 0 HE ARG A 48 -8.898 -7.988 -9.771 1.00 41.45 H new ATOM 0 HH11 ARG A 48 -6.874 -10.510 -11.188 1.00 61.23 H new ATOM 0 HH12 ARG A 48 -5.521 -9.416 -11.491 1.00 61.23 H new ATOM 0 HH21 ARG A 48 -7.155 -6.588 -10.164 1.00 73.11 H new ATOM 0 HH22 ARG A 48 -5.679 -7.205 -10.914 1.00 73.11 H new ATOM 742 N VAL A 49 -9.887 -15.176 -9.437 1.00 24.22 N ATOM 743 CA VAL A 49 -9.896 -16.631 -9.527 1.00 73.43 C ATOM 744 C VAL A 49 -10.931 -17.112 -10.539 1.00 22.24 C ATOM 745 O VAL A 49 -10.744 -18.137 -11.193 1.00 70.42 O ATOM 746 CB VAL A 49 -10.192 -17.277 -8.160 1.00 50.24 C ATOM 747 CG1 VAL A 49 -10.151 -18.794 -8.266 1.00 4.42 C ATOM 748 CG2 VAL A 49 -9.207 -16.780 -7.113 1.00 13.22 C ATOM 0 H VAL A 49 -9.940 -14.812 -8.486 1.00 24.22 H new ATOM 0 HA VAL A 49 -8.902 -16.934 -9.855 1.00 73.43 H new ATOM 0 HB VAL A 49 -11.195 -16.986 -7.849 1.00 50.24 H new ATOM 0 HG11 VAL A 49 -10.362 -19.233 -7.291 1.00 4.42 H new ATOM 0 HG12 VAL A 49 -10.899 -19.129 -8.984 1.00 4.42 H new ATOM 0 HG13 VAL A 49 -9.162 -19.109 -8.599 1.00 4.42 H new ATOM 0 HG21 VAL A 49 -9.430 -17.246 -6.153 1.00 13.22 H new ATOM 0 HG22 VAL A 49 -8.193 -17.040 -7.415 1.00 13.22 H new ATOM 0 HG23 VAL A 49 -9.291 -15.697 -7.019 1.00 13.22 H new ATOM 758 N ALA A 50 -12.022 -16.364 -10.661 1.00 75.22 N ATOM 759 CA ALA A 50 -13.086 -16.713 -11.595 1.00 13.52 C ATOM 760 C ALA A 50 -12.629 -16.537 -13.039 1.00 3.32 C ATOM 761 O ALA A 50 -12.755 -17.449 -13.856 1.00 52.41 O ATOM 762 CB ALA A 50 -14.323 -15.868 -11.324 1.00 70.55 C ATOM 0 H ALA A 50 -12.193 -15.513 -10.125 1.00 75.22 H new ATOM 0 HA ALA A 50 -13.336 -17.763 -11.447 1.00 13.52 H new ATOM 0 HB1 ALA A 50 -15.110 -16.138 -12.028 1.00 70.55 H new ATOM 0 HB2 ALA A 50 -14.670 -16.047 -10.306 1.00 70.55 H new ATOM 0 HB3 ALA A 50 -14.076 -14.813 -11.443 1.00 70.55 H new ATOM 768 N VAL A 51 -12.097 -15.358 -13.347 1.00 20.01 N ATOM 769 CA VAL A 51 -11.620 -15.063 -14.693 1.00 11.22 C ATOM 770 C VAL A 51 -10.347 -15.840 -15.008 1.00 31.24 C ATOM 771 O VAL A 51 -10.010 -16.056 -16.173 1.00 35.44 O ATOM 772 CB VAL A 51 -11.348 -13.558 -14.874 1.00 44.21 C ATOM 773 CG1 VAL A 51 -10.403 -13.052 -13.794 1.00 54.01 C ATOM 774 CG2 VAL A 51 -10.783 -13.282 -16.259 1.00 63.24 C ATOM 0 H VAL A 51 -11.986 -14.592 -12.683 1.00 20.01 H new ATOM 0 HA VAL A 51 -12.408 -15.368 -15.382 1.00 11.22 H new ATOM 0 HB VAL A 51 -12.292 -13.022 -14.778 1.00 44.21 H new ATOM 0 HG11 VAL A 51 -10.223 -11.987 -13.938 1.00 54.01 H new ATOM 0 HG12 VAL A 51 -10.851 -13.215 -12.814 1.00 54.01 H new ATOM 0 HG13 VAL A 51 -9.458 -13.592 -13.855 1.00 54.01 H new ATOM 0 HG21 VAL A 51 -10.597 -12.214 -16.370 1.00 63.24 H new ATOM 0 HG22 VAL A 51 -9.848 -13.828 -16.386 1.00 63.24 H new ATOM 0 HG23 VAL A 51 -11.498 -13.606 -17.015 1.00 63.24 H new ATOM 784 N LEU A 52 -9.643 -16.259 -13.962 1.00 44.02 N ATOM 785 CA LEU A 52 -8.405 -17.014 -14.126 1.00 72.13 C ATOM 786 C LEU A 52 -8.692 -18.505 -14.274 1.00 14.22 C ATOM 787 O LEU A 52 -7.980 -19.218 -14.980 1.00 25.21 O ATOM 788 CB LEU A 52 -7.478 -16.777 -12.933 1.00 30.31 C ATOM 789 CG LEU A 52 -6.972 -15.346 -12.750 1.00 31.04 C ATOM 790 CD1 LEU A 52 -6.340 -15.175 -11.377 1.00 63.11 C ATOM 791 CD2 LEU A 52 -5.979 -14.987 -13.845 1.00 24.10 C ATOM 0 H LEU A 52 -9.908 -16.089 -12.992 1.00 44.02 H new ATOM 0 HA LEU A 52 -7.914 -16.666 -15.034 1.00 72.13 H new ATOM 0 HB2 LEU A 52 -8.004 -17.074 -12.025 1.00 30.31 H new ATOM 0 HB3 LEU A 52 -6.616 -17.436 -13.032 1.00 30.31 H new ATOM 0 HG LEU A 52 -7.823 -14.668 -12.823 1.00 31.04 H new ATOM 0 HD11 LEU A 52 -5.986 -14.150 -11.265 1.00 63.11 H new ATOM 0 HD12 LEU A 52 -7.080 -15.389 -10.606 1.00 63.11 H new ATOM 0 HD13 LEU A 52 -5.500 -15.863 -11.275 1.00 63.11 H new ATOM 0 HD21 LEU A 52 -5.630 -13.965 -13.699 1.00 24.10 H new ATOM 0 HD22 LEU A 52 -5.130 -15.670 -13.805 1.00 24.10 H new ATOM 0 HD23 LEU A 52 -6.465 -15.069 -14.817 1.00 24.10 H new ATOM 803 N PHE A 53 -9.742 -18.969 -13.604 1.00 54.23 N ATOM 804 CA PHE A 53 -10.125 -20.375 -13.662 1.00 12.23 C ATOM 805 C PHE A 53 -11.518 -20.535 -14.263 1.00 74.02 C ATOM 806 O PHE A 53 -12.480 -20.890 -13.581 1.00 2.12 O ATOM 807 CB PHE A 53 -10.087 -20.993 -12.263 1.00 33.14 C ATOM 808 CG PHE A 53 -8.704 -21.081 -11.684 1.00 32.35 C ATOM 809 CD1 PHE A 53 -7.851 -22.111 -12.046 1.00 75.51 C ATOM 810 CD2 PHE A 53 -8.257 -20.134 -10.777 1.00 43.21 C ATOM 811 CE1 PHE A 53 -6.579 -22.195 -11.514 1.00 63.30 C ATOM 812 CE2 PHE A 53 -6.985 -20.212 -10.242 1.00 24.20 C ATOM 813 CZ PHE A 53 -6.144 -21.244 -10.612 1.00 13.21 C ATOM 0 H PHE A 53 -10.342 -18.392 -13.015 1.00 54.23 H new ATOM 0 HA PHE A 53 -9.411 -20.894 -14.301 1.00 12.23 H new ATOM 0 HB2 PHE A 53 -10.714 -20.402 -11.596 1.00 33.14 H new ATOM 0 HB3 PHE A 53 -10.519 -21.993 -12.304 1.00 33.14 H new ATOM 0 HD1 PHE A 53 -8.184 -22.857 -12.752 1.00 75.51 H new ATOM 0 HD2 PHE A 53 -8.910 -19.325 -10.485 1.00 43.21 H new ATOM 0 HE1 PHE A 53 -5.925 -23.004 -11.803 1.00 63.30 H new ATOM 0 HE2 PHE A 53 -6.649 -19.467 -9.536 1.00 24.20 H new ATOM 0 HZ PHE A 53 -5.149 -21.307 -10.197 1.00 13.21 H new ATOM 823 N PRO A 54 -11.631 -20.267 -15.573 1.00 13.24 N ATOM 824 CA PRO A 54 -12.902 -20.374 -16.296 1.00 1.12 C ATOM 825 C PRO A 54 -13.360 -21.820 -16.453 1.00 24.04 C ATOM 826 O PRO A 54 -14.485 -22.082 -16.877 1.00 23.35 O ATOM 827 CB PRO A 54 -12.585 -19.762 -17.663 1.00 23.33 C ATOM 828 CG PRO A 54 -11.115 -19.945 -17.828 1.00 34.33 C ATOM 829 CD PRO A 54 -10.527 -19.839 -16.448 1.00 13.11 C ATOM 0 HA PRO A 54 -13.714 -19.875 -15.768 1.00 1.12 H new ATOM 0 HB2 PRO A 54 -13.138 -20.262 -18.458 1.00 23.33 H new ATOM 0 HB3 PRO A 54 -12.859 -18.708 -17.698 1.00 23.33 H new ATOM 0 HG2 PRO A 54 -10.890 -20.913 -18.275 1.00 34.33 H new ATOM 0 HG3 PRO A 54 -10.699 -19.185 -18.489 1.00 34.33 H new ATOM 0 HD2 PRO A 54 -9.652 -20.479 -16.334 1.00 13.11 H new ATOM 0 HD3 PRO A 54 -10.208 -18.821 -16.224 1.00 13.11 H new ATOM 837 N ALA A 55 -12.480 -22.755 -16.107 1.00 53.14 N ATOM 838 CA ALA A 55 -12.796 -24.174 -16.208 1.00 24.44 C ATOM 839 C ALA A 55 -14.053 -24.515 -15.415 1.00 11.21 C ATOM 840 O ALA A 55 -14.736 -25.497 -15.707 1.00 33.45 O ATOM 841 CB ALA A 55 -11.621 -25.011 -15.723 1.00 31.42 C ATOM 0 H ALA A 55 -11.544 -22.555 -15.755 1.00 53.14 H new ATOM 0 HA ALA A 55 -12.986 -24.405 -17.256 1.00 24.44 H new ATOM 0 HB1 ALA A 55 -11.870 -26.069 -15.804 1.00 31.42 H new ATOM 0 HB2 ALA A 55 -10.745 -24.797 -16.335 1.00 31.42 H new ATOM 0 HB3 ALA A 55 -11.406 -24.767 -14.683 1.00 31.42 H new ATOM 847 N LEU A 56 -14.353 -23.698 -14.411 1.00 53.24 N ATOM 848 CA LEU A 56 -15.529 -23.913 -13.575 1.00 53.24 C ATOM 849 C LEU A 56 -16.436 -22.686 -13.585 1.00 61.21 C ATOM 850 O LEU A 56 -16.185 -21.722 -14.308 1.00 64.12 O ATOM 851 CB LEU A 56 -15.108 -24.238 -12.141 1.00 65.14 C ATOM 852 CG LEU A 56 -14.151 -23.244 -11.481 1.00 60.34 C ATOM 853 CD1 LEU A 56 -14.876 -22.429 -10.421 1.00 64.54 C ATOM 854 CD2 LEU A 56 -12.960 -23.973 -10.875 1.00 51.53 C ATOM 0 H LEU A 56 -13.798 -22.881 -14.156 1.00 53.24 H new ATOM 0 HA LEU A 56 -16.085 -24.757 -13.984 1.00 53.24 H new ATOM 0 HB2 LEU A 56 -16.006 -24.309 -11.527 1.00 65.14 H new ATOM 0 HB3 LEU A 56 -14.639 -25.222 -12.135 1.00 65.14 H new ATOM 0 HG LEU A 56 -13.782 -22.561 -12.246 1.00 60.34 H new ATOM 0 HD11 LEU A 56 -14.180 -21.727 -9.962 1.00 64.54 H new ATOM 0 HD12 LEU A 56 -15.695 -21.878 -10.883 1.00 64.54 H new ATOM 0 HD13 LEU A 56 -15.274 -23.097 -9.657 1.00 64.54 H new ATOM 0 HD21 LEU A 56 -12.289 -23.250 -10.410 1.00 51.53 H new ATOM 0 HD22 LEU A 56 -13.310 -24.680 -10.123 1.00 51.53 H new ATOM 0 HD23 LEU A 56 -12.426 -24.512 -11.658 1.00 51.53 H new ATOM 866 N ARG A 57 -17.489 -22.729 -12.776 1.00 75.12 N ATOM 867 CA ARG A 57 -18.433 -21.621 -12.691 1.00 1.21 C ATOM 868 C ARG A 57 -17.726 -20.336 -12.270 1.00 45.12 C ATOM 869 O ARG A 57 -16.648 -20.358 -11.676 1.00 5.42 O ATOM 870 CB ARG A 57 -19.550 -21.949 -11.699 1.00 22.15 C ATOM 871 CG ARG A 57 -20.630 -22.851 -12.273 1.00 65.34 C ATOM 872 CD ARG A 57 -21.227 -23.755 -11.206 1.00 65.33 C ATOM 873 NE ARG A 57 -20.445 -24.975 -11.023 1.00 32.52 N ATOM 874 CZ ARG A 57 -20.889 -26.040 -10.364 1.00 22.12 C ATOM 875 NH1 ARG A 57 -22.102 -26.035 -9.829 1.00 1.32 N ATOM 876 NH2 ARG A 57 -20.118 -27.113 -10.239 1.00 74.33 N ATOM 0 H ARG A 57 -17.710 -23.519 -12.170 1.00 75.12 H new ATOM 0 HA ARG A 57 -18.867 -21.470 -13.679 1.00 1.21 H new ATOM 0 HB2 ARG A 57 -19.116 -22.429 -10.822 1.00 22.15 H new ATOM 0 HB3 ARG A 57 -20.007 -21.020 -11.360 1.00 22.15 H new ATOM 0 HG2 ARG A 57 -21.417 -22.241 -12.716 1.00 65.34 H new ATOM 0 HG3 ARG A 57 -20.209 -23.460 -13.073 1.00 65.34 H new ATOM 0 HD2 ARG A 57 -21.281 -23.214 -10.261 1.00 65.33 H new ATOM 0 HD3 ARG A 57 -22.248 -24.017 -11.483 1.00 65.33 H new ATOM 0 HE ARG A 57 -19.507 -25.011 -11.423 1.00 32.52 H new ATOM 0 HH11 ARG A 57 -22.697 -25.212 -9.923 1.00 1.32 H new ATOM 0 HH12 ARG A 57 -22.440 -26.854 -9.324 1.00 1.32 H new ATOM 0 HH21 ARG A 57 -19.184 -27.120 -10.649 1.00 74.33 H new ATOM 0 HH22 ARG A 57 -20.459 -27.930 -9.733 1.00 74.33 H new ATOM 890 N PRO A 58 -18.345 -19.189 -12.586 1.00 2.35 N ATOM 891 CA PRO A 58 -17.793 -17.873 -12.250 1.00 3.21 C ATOM 892 C PRO A 58 -17.829 -17.594 -10.751 1.00 64.31 C ATOM 893 O PRO A 58 -16.831 -17.180 -10.163 1.00 23.22 O ATOM 894 CB PRO A 58 -18.711 -16.902 -12.996 1.00 51.13 C ATOM 895 CG PRO A 58 -19.998 -17.637 -13.145 1.00 53.14 C ATOM 896 CD PRO A 58 -19.632 -19.088 -13.294 1.00 10.24 C ATOM 0 HA PRO A 58 -16.743 -17.789 -12.530 1.00 3.21 H new ATOM 0 HB2 PRO A 58 -18.846 -15.976 -12.437 1.00 51.13 H new ATOM 0 HB3 PRO A 58 -18.295 -16.631 -13.966 1.00 51.13 H new ATOM 0 HG2 PRO A 58 -20.638 -17.483 -12.276 1.00 53.14 H new ATOM 0 HG3 PRO A 58 -20.551 -17.283 -14.015 1.00 53.14 H new ATOM 0 HD2 PRO A 58 -20.386 -19.740 -12.853 1.00 10.24 H new ATOM 0 HD3 PRO A 58 -19.538 -19.373 -14.342 1.00 10.24 H new ATOM 904 N GLY A 59 -18.986 -17.825 -10.138 1.00 41.03 N ATOM 905 CA GLY A 59 -19.130 -17.593 -8.713 1.00 25.52 C ATOM 906 C GLY A 59 -19.623 -18.821 -7.973 1.00 25.11 C ATOM 907 O GLY A 59 -20.120 -18.721 -6.852 1.00 54.13 O ATOM 0 H GLY A 59 -19.826 -18.169 -10.603 1.00 41.03 H new ATOM 0 HA2 GLY A 59 -18.170 -17.284 -8.299 1.00 25.52 H new ATOM 0 HA3 GLY A 59 -19.826 -16.770 -8.550 1.00 25.52 H new ATOM 911 N GLY A 60 -19.485 -19.985 -8.602 1.00 55.50 N ATOM 912 CA GLY A 60 -19.927 -21.220 -7.982 1.00 12.13 C ATOM 913 C GLY A 60 -18.771 -22.065 -7.485 1.00 11.00 C ATOM 914 O GLY A 60 -18.650 -23.237 -7.844 1.00 1.54 O ATOM 0 H GLY A 60 -19.075 -20.094 -9.530 1.00 55.50 H new ATOM 0 HA2 GLY A 60 -20.588 -20.988 -7.147 1.00 12.13 H new ATOM 0 HA3 GLY A 60 -20.511 -21.795 -8.701 1.00 12.13 H new ATOM 918 N PHE A 61 -17.918 -21.470 -6.658 1.00 44.12 N ATOM 919 CA PHE A 61 -16.763 -22.175 -6.113 1.00 73.14 C ATOM 920 C PHE A 61 -16.413 -21.652 -4.723 1.00 61.33 C ATOM 921 O PHE A 61 -16.769 -20.531 -4.364 1.00 10.45 O ATOM 922 CB PHE A 61 -15.560 -22.024 -7.046 1.00 3.41 C ATOM 923 CG PHE A 61 -14.908 -20.673 -6.968 1.00 43.35 C ATOM 924 CD1 PHE A 61 -15.417 -19.601 -7.684 1.00 2.00 C ATOM 925 CD2 PHE A 61 -13.785 -20.475 -6.181 1.00 12.35 C ATOM 926 CE1 PHE A 61 -14.819 -18.356 -7.615 1.00 34.44 C ATOM 927 CE2 PHE A 61 -13.184 -19.233 -6.107 1.00 0.50 C ATOM 928 CZ PHE A 61 -13.701 -18.172 -6.826 1.00 21.42 C ATOM 0 H PHE A 61 -18.004 -20.501 -6.350 1.00 44.12 H new ATOM 0 HA PHE A 61 -17.019 -23.231 -6.030 1.00 73.14 H new ATOM 0 HB2 PHE A 61 -14.823 -22.789 -6.802 1.00 3.41 H new ATOM 0 HB3 PHE A 61 -15.881 -22.205 -8.072 1.00 3.41 H new ATOM 0 HD1 PHE A 61 -16.291 -19.740 -8.303 1.00 2.00 H new ATOM 0 HD2 PHE A 61 -13.375 -21.301 -5.619 1.00 12.35 H new ATOM 0 HE1 PHE A 61 -15.226 -17.529 -8.178 1.00 34.44 H new ATOM 0 HE2 PHE A 61 -12.311 -19.091 -5.488 1.00 0.50 H new ATOM 0 HZ PHE A 61 -13.231 -17.201 -6.771 1.00 21.42 H new ATOM 938 N GLN A 62 -15.714 -22.474 -3.948 1.00 23.35 N ATOM 939 CA GLN A 62 -15.316 -22.096 -2.597 1.00 13.43 C ATOM 940 C GLN A 62 -13.809 -22.240 -2.412 1.00 34.01 C ATOM 941 O GLN A 62 -13.247 -23.311 -2.635 1.00 62.51 O ATOM 942 CB GLN A 62 -16.053 -22.953 -1.566 1.00 60.33 C ATOM 943 CG GLN A 62 -17.103 -22.188 -0.777 1.00 23.24 C ATOM 944 CD GLN A 62 -16.551 -20.927 -0.142 1.00 21.03 C ATOM 945 OE1 GLN A 62 -17.172 -19.865 -0.201 1.00 21.41 O ATOM 946 NE2 GLN A 62 -15.378 -21.037 0.471 1.00 0.22 N ATOM 0 H GLN A 62 -15.411 -23.406 -4.232 1.00 23.35 H new ATOM 0 HA GLN A 62 -15.583 -21.050 -2.447 1.00 13.43 H new ATOM 0 HB2 GLN A 62 -16.532 -23.789 -2.076 1.00 60.33 H new ATOM 0 HB3 GLN A 62 -15.327 -23.377 -0.872 1.00 60.33 H new ATOM 0 HG2 GLN A 62 -17.929 -21.926 -1.438 1.00 23.24 H new ATOM 0 HG3 GLN A 62 -17.510 -22.834 0.001 1.00 23.24 H new ATOM 0 HE21 GLN A 62 -14.898 -21.937 0.496 1.00 0.22 H new ATOM 0 HE22 GLN A 62 -14.957 -20.222 0.917 1.00 0.22 H new ATOM 955 N ALA A 63 -13.162 -21.154 -2.003 1.00 45.01 N ATOM 956 CA ALA A 63 -11.720 -21.160 -1.787 1.00 31.42 C ATOM 957 C ALA A 63 -11.379 -21.617 -0.372 1.00 52.04 C ATOM 958 O ALA A 63 -11.866 -21.052 0.608 1.00 51.15 O ATOM 959 CB ALA A 63 -11.141 -19.779 -2.052 1.00 5.34 C ATOM 0 H ALA A 63 -13.613 -20.259 -1.815 1.00 45.01 H new ATOM 0 HA ALA A 63 -11.275 -21.868 -2.486 1.00 31.42 H new ATOM 0 HB1 ALA A 63 -10.064 -19.798 -1.887 1.00 5.34 H new ATOM 0 HB2 ALA A 63 -11.345 -19.491 -3.083 1.00 5.34 H new ATOM 0 HB3 ALA A 63 -11.599 -19.057 -1.376 1.00 5.34 H new ATOM 965 N HIS A 64 -10.541 -22.643 -0.273 1.00 25.53 N ATOM 966 CA HIS A 64 -10.135 -23.176 1.023 1.00 23.11 C ATOM 967 C HIS A 64 -8.689 -22.801 1.336 1.00 33.21 C ATOM 968 O HIS A 64 -7.812 -22.903 0.479 1.00 65.43 O ATOM 969 CB HIS A 64 -10.296 -24.696 1.046 1.00 30.44 C ATOM 970 CG HIS A 64 -11.697 -25.154 0.779 1.00 63.22 C ATOM 971 ND1 HIS A 64 -12.831 -24.450 0.556 1.00 74.44 N flip ATOM 972 CD2 HIS A 64 -12.055 -26.484 0.720 1.00 61.05 C flip ATOM 973 CE1 HIS A 64 -13.843 -25.358 0.366 1.00 52.42 C flip ATOM 974 NE2 HIS A 64 -13.349 -26.579 0.470 1.00 35.13 N flip ATOM 0 H HIS A 64 -10.130 -23.122 -1.074 1.00 25.53 H new ATOM 0 HA HIS A 64 -10.779 -22.738 1.786 1.00 23.11 H new ATOM 0 HB2 HIS A 64 -9.631 -25.135 0.302 1.00 30.44 H new ATOM 0 HB3 HIS A 64 -9.979 -25.072 2.019 1.00 30.44 H new ATOM 0 HD2 HIS A 64 -11.383 -27.318 0.857 1.00 61.05 H new ATOM 0 HE1 HIS A 64 -14.876 -25.114 0.164 1.00 52.42 H new ATOM 0 HE2 HIS A 64 -13.876 -27.447 0.374 1.00 35.13 H new ATOM 982 N TYR A 65 -8.450 -22.367 2.568 1.00 4.41 N ATOM 983 CA TYR A 65 -7.111 -21.973 2.993 1.00 34.31 C ATOM 984 C TYR A 65 -6.661 -22.790 4.201 1.00 53.14 C ATOM 985 O TYR A 65 -7.438 -23.032 5.125 1.00 42.41 O ATOM 986 CB TYR A 65 -7.079 -20.482 3.331 1.00 44.20 C ATOM 987 CG TYR A 65 -7.623 -20.160 4.704 1.00 13.02 C ATOM 988 CD1 TYR A 65 -8.991 -20.062 4.925 1.00 34.33 C ATOM 989 CD2 TYR A 65 -6.769 -19.954 5.781 1.00 74.40 C ATOM 990 CE1 TYR A 65 -9.493 -19.768 6.178 1.00 13.32 C ATOM 991 CE2 TYR A 65 -7.262 -19.661 7.038 1.00 54.23 C ATOM 992 CZ TYR A 65 -8.625 -19.568 7.231 1.00 21.01 C ATOM 993 OH TYR A 65 -9.121 -19.276 8.481 1.00 40.31 O ATOM 0 H TYR A 65 -9.165 -22.279 3.290 1.00 4.41 H new ATOM 0 HA TYR A 65 -6.424 -22.167 2.169 1.00 34.31 H new ATOM 0 HB2 TYR A 65 -6.051 -20.125 3.264 1.00 44.20 H new ATOM 0 HB3 TYR A 65 -7.656 -19.936 2.584 1.00 44.20 H new ATOM 0 HD1 TYR A 65 -9.674 -20.218 4.103 1.00 34.33 H new ATOM 0 HD2 TYR A 65 -5.702 -20.024 5.633 1.00 74.40 H new ATOM 0 HE1 TYR A 65 -10.559 -19.695 6.332 1.00 13.32 H new ATOM 0 HE2 TYR A 65 -6.584 -19.506 7.865 1.00 54.23 H new ATOM 0 HH TYR A 65 -10.053 -18.982 8.403 1.00 40.31 H new ATOM 1003 N ARG A 66 -5.401 -23.211 4.185 1.00 30.41 N ATOM 1004 CA ARG A 66 -4.846 -24.001 5.278 1.00 71.34 C ATOM 1005 C ARG A 66 -4.612 -23.134 6.511 1.00 44.00 C ATOM 1006 O ARG A 66 -4.157 -21.995 6.404 1.00 31.41 O ATOM 1007 CB ARG A 66 -3.533 -24.657 4.845 1.00 35.44 C ATOM 1008 CG ARG A 66 -2.337 -23.722 4.903 1.00 0.21 C ATOM 1009 CD ARG A 66 -1.575 -23.872 6.210 1.00 22.24 C ATOM 1010 NE ARG A 66 -0.203 -24.325 5.995 1.00 32.22 N ATOM 1011 CZ ARG A 66 0.697 -24.431 6.967 1.00 73.34 C ATOM 1012 NH1 ARG A 66 0.371 -24.119 8.213 1.00 1.23 N ATOM 1013 NH2 ARG A 66 1.925 -24.851 6.692 1.00 60.21 N ATOM 0 H ARG A 66 -4.745 -23.019 3.428 1.00 30.41 H new ATOM 0 HA ARG A 66 -5.566 -24.779 5.534 1.00 71.34 H new ATOM 0 HB2 ARG A 66 -3.340 -25.520 5.483 1.00 35.44 H new ATOM 0 HB3 ARG A 66 -3.642 -25.031 3.827 1.00 35.44 H new ATOM 0 HG2 ARG A 66 -1.670 -23.930 4.066 1.00 0.21 H new ATOM 0 HG3 ARG A 66 -2.674 -22.691 4.793 1.00 0.21 H new ATOM 0 HD2 ARG A 66 -1.563 -22.917 6.734 1.00 22.24 H new ATOM 0 HD3 ARG A 66 -2.095 -24.582 6.853 1.00 22.24 H new ATOM 0 HE ARG A 66 0.080 -24.574 5.047 1.00 32.22 H new ATOM 0 HH11 ARG A 66 -0.573 -23.797 8.428 1.00 1.23 H new ATOM 0 HH12 ARG A 66 1.064 -24.201 8.957 1.00 1.23 H new ATOM 0 HH21 ARG A 66 2.179 -25.093 5.734 1.00 60.21 H new ATOM 0 HH22 ARG A 66 2.615 -24.932 7.438 1.00 60.21 H new ATOM 1027 N ALA A 67 -4.926 -23.681 7.681 1.00 43.21 N ATOM 1028 CA ALA A 67 -4.748 -22.958 8.934 1.00 21.12 C ATOM 1029 C ALA A 67 -3.496 -23.429 9.667 1.00 74.31 C ATOM 1030 O ALA A 67 -2.711 -24.212 9.132 1.00 13.52 O ATOM 1031 CB ALA A 67 -5.974 -23.126 9.819 1.00 74.12 C ATOM 0 H ALA A 67 -5.305 -24.622 7.787 1.00 43.21 H new ATOM 0 HA ALA A 67 -4.624 -21.901 8.700 1.00 21.12 H new ATOM 0 HB1 ALA A 67 -5.827 -22.581 10.751 1.00 74.12 H new ATOM 0 HB2 ALA A 67 -6.851 -22.734 9.304 1.00 74.12 H new ATOM 0 HB3 ALA A 67 -6.123 -24.184 10.037 1.00 74.12 H new ATOM 1037 N GLU A 68 -3.317 -22.947 10.893 1.00 70.32 N ATOM 1038 CA GLU A 68 -2.159 -23.319 11.697 1.00 30.22 C ATOM 1039 C GLU A 68 -2.000 -24.836 11.754 1.00 54.20 C ATOM 1040 O GLU A 68 -0.891 -25.359 11.646 1.00 12.01 O ATOM 1041 CB GLU A 68 -2.292 -22.756 13.114 1.00 51.14 C ATOM 1042 CG GLU A 68 -3.672 -22.952 13.720 1.00 65.33 C ATOM 1043 CD GLU A 68 -3.729 -22.552 15.181 1.00 20.22 C ATOM 1044 OE1 GLU A 68 -2.919 -23.080 15.972 1.00 11.33 O ATOM 1045 OE2 GLU A 68 -4.583 -21.713 15.534 1.00 51.41 O ATOM 0 H GLU A 68 -3.958 -22.299 11.350 1.00 70.32 H new ATOM 0 HA GLU A 68 -1.272 -22.895 11.227 1.00 30.22 H new ATOM 0 HB2 GLU A 68 -1.551 -23.233 13.756 1.00 51.14 H new ATOM 0 HB3 GLU A 68 -2.060 -21.691 13.096 1.00 51.14 H new ATOM 0 HG2 GLU A 68 -4.398 -22.365 13.158 1.00 65.33 H new ATOM 0 HG3 GLU A 68 -3.963 -23.998 13.622 1.00 65.33 H new ATOM 1052 N ARG A 69 -3.117 -25.536 11.925 1.00 52.32 N ATOM 1053 CA ARG A 69 -3.103 -26.992 11.998 1.00 42.31 C ATOM 1054 C ARG A 69 -2.814 -27.602 10.629 1.00 14.04 C ATOM 1055 O ARG A 69 -2.285 -28.708 10.531 1.00 74.23 O ATOM 1056 CB ARG A 69 -4.441 -27.510 12.528 1.00 60.23 C ATOM 1057 CG ARG A 69 -4.628 -27.299 14.021 1.00 24.33 C ATOM 1058 CD ARG A 69 -6.043 -27.641 14.460 1.00 71.24 C ATOM 1059 NE ARG A 69 -6.255 -29.083 14.551 1.00 64.33 N ATOM 1060 CZ ARG A 69 -7.303 -29.636 15.150 1.00 13.13 C ATOM 1061 NH1 ARG A 69 -8.231 -28.871 15.709 1.00 51.25 N ATOM 1062 NH2 ARG A 69 -7.426 -30.956 15.192 1.00 64.50 N ATOM 0 H ARG A 69 -4.043 -25.118 12.016 1.00 52.32 H new ATOM 0 HA ARG A 69 -2.309 -27.289 12.684 1.00 42.31 H new ATOM 0 HB2 ARG A 69 -5.251 -27.011 11.995 1.00 60.23 H new ATOM 0 HB3 ARG A 69 -4.522 -28.574 12.307 1.00 60.23 H new ATOM 0 HG2 ARG A 69 -3.917 -27.917 14.569 1.00 24.33 H new ATOM 0 HG3 ARG A 69 -4.409 -26.261 14.273 1.00 24.33 H new ATOM 0 HD2 ARG A 69 -6.242 -27.184 15.429 1.00 71.24 H new ATOM 0 HD3 ARG A 69 -6.755 -27.214 13.754 1.00 71.24 H new ATOM 0 HE ARG A 69 -5.559 -29.700 14.131 1.00 64.33 H new ATOM 0 HH11 ARG A 69 -8.141 -27.855 15.679 1.00 51.25 H new ATOM 0 HH12 ARG A 69 -9.035 -29.298 16.169 1.00 51.25 H new ATOM 0 HH21 ARG A 69 -6.715 -31.548 14.764 1.00 64.50 H new ATOM 0 HH22 ARG A 69 -8.232 -31.379 15.653 1.00 64.50 H new ATOM 1076 N GLY A 70 -3.167 -26.872 9.575 1.00 20.13 N ATOM 1077 CA GLY A 70 -2.939 -27.358 8.227 1.00 41.00 C ATOM 1078 C GLY A 70 -4.213 -27.835 7.559 1.00 34.45 C ATOM 1079 O GLY A 70 -4.195 -28.263 6.405 1.00 40.51 O ATOM 0 H GLY A 70 -3.607 -25.953 9.631 1.00 20.13 H new ATOM 0 HA2 GLY A 70 -2.494 -26.563 7.628 1.00 41.00 H new ATOM 0 HA3 GLY A 70 -2.219 -28.176 8.256 1.00 41.00 H new ATOM 1083 N ASP A 71 -5.323 -27.765 8.287 1.00 5.01 N ATOM 1084 CA ASP A 71 -6.612 -28.194 7.759 1.00 72.23 C ATOM 1085 C ASP A 71 -7.197 -27.137 6.827 1.00 0.04 C ATOM 1086 O ASP A 71 -6.900 -25.949 6.955 1.00 5.53 O ATOM 1087 CB ASP A 71 -7.587 -28.479 8.903 1.00 63.45 C ATOM 1088 CG ASP A 71 -7.185 -29.694 9.716 1.00 3.44 C ATOM 1089 OD1 ASP A 71 -7.336 -30.824 9.209 1.00 65.25 O ATOM 1090 OD2 ASP A 71 -6.720 -29.513 10.862 1.00 71.42 O ATOM 0 H ASP A 71 -5.355 -27.415 9.245 1.00 5.01 H new ATOM 0 HA ASP A 71 -6.456 -29.109 7.188 1.00 72.23 H new ATOM 0 HB2 ASP A 71 -7.640 -27.609 9.557 1.00 63.45 H new ATOM 0 HB3 ASP A 71 -8.586 -28.632 8.495 1.00 63.45 H new ATOM 1095 N LEU A 72 -8.029 -27.577 5.890 1.00 50.11 N ATOM 1096 CA LEU A 72 -8.655 -26.669 4.935 1.00 14.35 C ATOM 1097 C LEU A 72 -9.862 -25.973 5.557 1.00 11.01 C ATOM 1098 O LEU A 72 -10.707 -26.613 6.183 1.00 22.41 O ATOM 1099 CB LEU A 72 -9.083 -27.432 3.680 1.00 3.44 C ATOM 1100 CG LEU A 72 -8.009 -27.613 2.607 1.00 51.42 C ATOM 1101 CD1 LEU A 72 -8.555 -28.416 1.436 1.00 3.23 C ATOM 1102 CD2 LEU A 72 -7.494 -26.261 2.134 1.00 11.24 C ATOM 0 H LEU A 72 -8.286 -28.557 5.771 1.00 50.11 H new ATOM 0 HA LEU A 72 -7.923 -25.910 4.659 1.00 14.35 H new ATOM 0 HB2 LEU A 72 -9.437 -28.418 3.981 1.00 3.44 H new ATOM 0 HB3 LEU A 72 -9.930 -26.912 3.234 1.00 3.44 H new ATOM 0 HG LEU A 72 -7.176 -28.164 3.043 1.00 51.42 H new ATOM 0 HD11 LEU A 72 -7.777 -28.535 0.682 1.00 3.23 H new ATOM 0 HD12 LEU A 72 -8.875 -29.398 1.786 1.00 3.23 H new ATOM 0 HD13 LEU A 72 -9.405 -27.892 1.000 1.00 3.23 H new ATOM 0 HD21 LEU A 72 -6.730 -26.409 1.371 1.00 11.24 H new ATOM 0 HD22 LEU A 72 -8.318 -25.684 1.715 1.00 11.24 H new ATOM 0 HD23 LEU A 72 -7.064 -25.720 2.977 1.00 11.24 H new ATOM 1114 N VAL A 73 -9.938 -24.658 5.378 1.00 3.13 N ATOM 1115 CA VAL A 73 -11.043 -23.875 5.919 1.00 62.24 C ATOM 1116 C VAL A 73 -11.675 -23.001 4.842 1.00 42.53 C ATOM 1117 O VAL A 73 -11.142 -21.949 4.490 1.00 4.41 O ATOM 1118 CB VAL A 73 -10.580 -22.981 7.084 1.00 32.34 C ATOM 1119 CG1 VAL A 73 -11.748 -22.180 7.639 1.00 31.34 C ATOM 1120 CG2 VAL A 73 -9.933 -23.821 8.175 1.00 20.41 C ATOM 0 H VAL A 73 -9.247 -24.112 4.862 1.00 3.13 H new ATOM 0 HA VAL A 73 -11.783 -24.585 6.288 1.00 62.24 H new ATOM 0 HB VAL A 73 -9.836 -22.279 6.707 1.00 32.34 H new ATOM 0 HG11 VAL A 73 -11.402 -21.554 8.461 1.00 31.34 H new ATOM 0 HG12 VAL A 73 -12.163 -21.549 6.853 1.00 31.34 H new ATOM 0 HG13 VAL A 73 -12.517 -22.862 8.001 1.00 31.34 H new ATOM 0 HG21 VAL A 73 -9.612 -23.173 8.991 1.00 20.41 H new ATOM 0 HG22 VAL A 73 -10.654 -24.547 8.551 1.00 20.41 H new ATOM 0 HG23 VAL A 73 -9.069 -24.345 7.766 1.00 20.41 H new ATOM 1130 N ALA A 74 -12.815 -23.443 4.322 1.00 51.22 N ATOM 1131 CA ALA A 74 -13.522 -22.699 3.286 1.00 22.04 C ATOM 1132 C ALA A 74 -13.843 -21.282 3.750 1.00 22.33 C ATOM 1133 O ALA A 74 -14.740 -21.074 4.568 1.00 62.25 O ATOM 1134 CB ALA A 74 -14.797 -23.428 2.890 1.00 60.31 C ATOM 0 H ALA A 74 -13.269 -24.313 4.601 1.00 51.22 H new ATOM 0 HA ALA A 74 -12.871 -22.629 2.415 1.00 22.04 H new ATOM 0 HB1 ALA A 74 -15.315 -22.861 2.116 1.00 60.31 H new ATOM 0 HB2 ALA A 74 -14.547 -24.418 2.509 1.00 60.31 H new ATOM 0 HB3 ALA A 74 -15.445 -23.528 3.761 1.00 60.31 H new ATOM 1140 N PHE A 75 -13.104 -20.311 3.224 1.00 11.24 N ATOM 1141 CA PHE A 75 -13.309 -18.913 3.586 1.00 33.23 C ATOM 1142 C PHE A 75 -14.174 -18.204 2.548 1.00 0.12 C ATOM 1143 O PHE A 75 -14.222 -18.605 1.386 1.00 70.54 O ATOM 1144 CB PHE A 75 -11.964 -18.197 3.722 1.00 52.44 C ATOM 1145 CG PHE A 75 -11.325 -17.868 2.403 1.00 64.12 C ATOM 1146 CD1 PHE A 75 -10.471 -18.770 1.788 1.00 73.10 C ATOM 1147 CD2 PHE A 75 -11.577 -16.658 1.778 1.00 52.42 C ATOM 1148 CE1 PHE A 75 -9.881 -18.470 0.575 1.00 41.10 C ATOM 1149 CE2 PHE A 75 -10.990 -16.352 0.564 1.00 10.04 C ATOM 1150 CZ PHE A 75 -10.142 -17.260 -0.038 1.00 44.12 C ATOM 0 H PHE A 75 -12.358 -20.466 2.546 1.00 11.24 H new ATOM 0 HA PHE A 75 -13.826 -18.884 4.545 1.00 33.23 H new ATOM 0 HB2 PHE A 75 -12.107 -17.276 4.287 1.00 52.44 H new ATOM 0 HB3 PHE A 75 -11.285 -18.823 4.300 1.00 52.44 H new ATOM 0 HD1 PHE A 75 -10.264 -19.718 2.262 1.00 73.10 H new ATOM 0 HD2 PHE A 75 -12.240 -15.945 2.245 1.00 52.42 H new ATOM 0 HE1 PHE A 75 -9.216 -19.181 0.107 1.00 41.10 H new ATOM 0 HE2 PHE A 75 -11.195 -15.405 0.088 1.00 10.04 H new ATOM 0 HZ PHE A 75 -9.683 -17.025 -0.987 1.00 44.12 H new ATOM 1160 N SER A 76 -14.856 -17.147 2.978 1.00 73.04 N ATOM 1161 CA SER A 76 -15.723 -16.384 2.087 1.00 11.45 C ATOM 1162 C SER A 76 -16.091 -15.039 2.709 1.00 61.55 C ATOM 1163 O SER A 76 -17.193 -14.530 2.505 1.00 44.22 O ATOM 1164 CB SER A 76 -16.993 -17.177 1.773 1.00 24.40 C ATOM 1165 OG SER A 76 -17.972 -16.994 2.781 1.00 44.10 O ATOM 0 H SER A 76 -14.825 -16.800 3.937 1.00 73.04 H new ATOM 0 HA SER A 76 -15.179 -16.201 1.160 1.00 11.45 H new ATOM 0 HB2 SER A 76 -17.394 -16.860 0.810 1.00 24.40 H new ATOM 0 HB3 SER A 76 -16.751 -18.236 1.685 1.00 24.40 H new ATOM 0 HG SER A 76 -18.262 -16.058 2.789 1.00 44.10 H new ATOM 1171 N SER A 77 -15.160 -14.471 3.467 1.00 5.24 N ATOM 1172 CA SER A 77 -15.386 -13.188 4.122 1.00 3.42 C ATOM 1173 C SER A 77 -14.063 -12.479 4.401 1.00 74.34 C ATOM 1174 O SER A 77 -13.057 -13.118 4.709 1.00 71.24 O ATOM 1175 CB SER A 77 -16.156 -13.387 5.429 1.00 3.31 C ATOM 1176 OG SER A 77 -16.588 -12.146 5.961 1.00 63.15 O ATOM 0 H SER A 77 -14.242 -14.879 3.643 1.00 5.24 H new ATOM 0 HA SER A 77 -15.978 -12.565 3.451 1.00 3.42 H new ATOM 0 HB2 SER A 77 -17.018 -14.030 5.252 1.00 3.31 H new ATOM 0 HB3 SER A 77 -15.522 -13.896 6.155 1.00 3.31 H new ATOM 0 HG SER A 77 -17.079 -12.301 6.795 1.00 63.15 H new ATOM 1182 N ASP A 78 -14.074 -11.156 4.290 1.00 50.51 N ATOM 1183 CA ASP A 78 -12.877 -10.359 4.530 1.00 3.54 C ATOM 1184 C ASP A 78 -12.267 -10.690 5.889 1.00 71.01 C ATOM 1185 O ASP A 78 -11.046 -10.717 6.042 1.00 74.15 O ATOM 1186 CB ASP A 78 -13.208 -8.867 4.456 1.00 24.13 C ATOM 1187 CG ASP A 78 -14.297 -8.467 5.431 1.00 13.42 C ATOM 1188 OD1 ASP A 78 -15.425 -8.990 5.309 1.00 23.55 O ATOM 1189 OD2 ASP A 78 -14.023 -7.630 6.317 1.00 63.15 O ATOM 0 H ASP A 78 -14.899 -10.612 4.035 1.00 50.51 H new ATOM 0 HA ASP A 78 -12.149 -10.601 3.756 1.00 3.54 H new ATOM 0 HB2 ASP A 78 -12.308 -8.287 4.663 1.00 24.13 H new ATOM 0 HB3 ASP A 78 -13.522 -8.617 3.443 1.00 24.13 H new ATOM 1194 N GLU A 79 -13.126 -10.940 6.872 1.00 20.33 N ATOM 1195 CA GLU A 79 -12.671 -11.268 8.218 1.00 2.13 C ATOM 1196 C GLU A 79 -11.812 -12.529 8.210 1.00 33.54 C ATOM 1197 O GLU A 79 -10.929 -12.696 9.051 1.00 60.14 O ATOM 1198 CB GLU A 79 -13.867 -11.458 9.153 1.00 12.31 C ATOM 1199 CG GLU A 79 -14.834 -12.536 8.693 1.00 11.30 C ATOM 1200 CD GLU A 79 -14.552 -13.883 9.329 1.00 1.25 C ATOM 1201 OE1 GLU A 79 -13.499 -14.019 9.987 1.00 43.41 O ATOM 1202 OE2 GLU A 79 -15.383 -14.801 9.170 1.00 12.32 O ATOM 0 H GLU A 79 -14.140 -10.922 6.762 1.00 20.33 H new ATOM 0 HA GLU A 79 -12.064 -10.438 8.581 1.00 2.13 H new ATOM 0 HB2 GLU A 79 -13.502 -11.710 10.149 1.00 12.31 H new ATOM 0 HB3 GLU A 79 -14.404 -10.513 9.239 1.00 12.31 H new ATOM 0 HG2 GLU A 79 -15.853 -12.231 8.933 1.00 11.30 H new ATOM 0 HG3 GLU A 79 -14.777 -12.631 7.609 1.00 11.30 H new ATOM 1209 N GLU A 80 -12.080 -13.414 7.255 1.00 32.52 N ATOM 1210 CA GLU A 80 -11.333 -14.661 7.139 1.00 73.41 C ATOM 1211 C GLU A 80 -10.000 -14.433 6.433 1.00 60.24 C ATOM 1212 O GLU A 80 -9.008 -15.105 6.721 1.00 15.31 O ATOM 1213 CB GLU A 80 -12.154 -15.704 6.378 1.00 72.53 C ATOM 1214 CG GLU A 80 -13.171 -16.429 7.244 1.00 53.35 C ATOM 1215 CD GLU A 80 -12.522 -17.299 8.302 1.00 11.22 C ATOM 1216 OE1 GLU A 80 -12.046 -18.400 7.954 1.00 11.21 O ATOM 1217 OE2 GLU A 80 -12.490 -16.880 9.478 1.00 51.51 O ATOM 0 H GLU A 80 -12.808 -13.291 6.551 1.00 32.52 H new ATOM 0 HA GLU A 80 -11.133 -15.030 8.145 1.00 73.41 H new ATOM 0 HB2 GLU A 80 -12.674 -15.214 5.555 1.00 72.53 H new ATOM 0 HB3 GLU A 80 -11.477 -16.436 5.937 1.00 72.53 H new ATOM 0 HG2 GLU A 80 -13.818 -15.697 7.728 1.00 53.35 H new ATOM 0 HG3 GLU A 80 -13.807 -17.047 6.610 1.00 53.35 H new ATOM 1224 N LEU A 81 -9.984 -13.482 5.506 1.00 42.15 N ATOM 1225 CA LEU A 81 -8.773 -13.164 4.756 1.00 30.24 C ATOM 1226 C LEU A 81 -7.715 -12.550 5.667 1.00 42.51 C ATOM 1227 O LEU A 81 -6.567 -12.996 5.694 1.00 34.10 O ATOM 1228 CB LEU A 81 -9.096 -12.204 3.610 1.00 30.02 C ATOM 1229 CG LEU A 81 -9.607 -12.847 2.320 1.00 45.40 C ATOM 1230 CD1 LEU A 81 -8.586 -13.833 1.775 1.00 63.31 C ATOM 1231 CD2 LEU A 81 -10.942 -13.536 2.560 1.00 40.35 C ATOM 0 H LEU A 81 -10.796 -12.917 5.255 1.00 42.15 H new ATOM 0 HA LEU A 81 -8.377 -14.091 4.343 1.00 30.24 H new ATOM 0 HB2 LEU A 81 -9.844 -11.492 3.959 1.00 30.02 H new ATOM 0 HB3 LEU A 81 -8.197 -11.633 3.377 1.00 30.02 H new ATOM 0 HG LEU A 81 -9.755 -12.062 1.579 1.00 45.40 H new ATOM 0 HD11 LEU A 81 -8.967 -14.281 0.857 1.00 63.31 H new ATOM 0 HD12 LEU A 81 -7.653 -13.311 1.564 1.00 63.31 H new ATOM 0 HD13 LEU A 81 -8.406 -14.615 2.513 1.00 63.31 H new ATOM 0 HD21 LEU A 81 -11.290 -13.988 1.631 1.00 40.35 H new ATOM 0 HD22 LEU A 81 -10.821 -14.311 3.317 1.00 40.35 H new ATOM 0 HD23 LEU A 81 -11.673 -12.804 2.904 1.00 40.35 H new ATOM 1243 N THR A 82 -8.108 -11.523 6.414 1.00 14.31 N ATOM 1244 CA THR A 82 -7.195 -10.847 7.327 1.00 61.21 C ATOM 1245 C THR A 82 -6.506 -11.843 8.252 1.00 22.53 C ATOM 1246 O THR A 82 -5.387 -11.610 8.708 1.00 64.13 O ATOM 1247 CB THR A 82 -7.929 -9.795 8.179 1.00 4.24 C ATOM 1248 OG1 THR A 82 -6.984 -8.885 8.754 1.00 11.22 O ATOM 1249 CG2 THR A 82 -8.736 -10.460 9.284 1.00 72.14 C ATOM 0 H THR A 82 -9.054 -11.141 6.404 1.00 14.31 H new ATOM 0 HA THR A 82 -6.446 -10.347 6.713 1.00 61.21 H new ATOM 0 HB THR A 82 -8.613 -9.248 7.531 1.00 4.24 H new ATOM 0 HG1 THR A 82 -7.458 -8.218 9.293 1.00 11.22 H new ATOM 0 HG21 THR A 82 -9.245 -9.697 9.872 1.00 72.14 H new ATOM 0 HG22 THR A 82 -9.474 -11.130 8.843 1.00 72.14 H new ATOM 0 HG23 THR A 82 -8.068 -11.030 9.930 1.00 72.14 H new ATOM 1257 N MET A 83 -7.181 -12.955 8.526 1.00 51.12 N ATOM 1258 CA MET A 83 -6.632 -13.988 9.396 1.00 4.02 C ATOM 1259 C MET A 83 -5.697 -14.912 8.621 1.00 55.41 C ATOM 1260 O MET A 83 -4.631 -15.283 9.109 1.00 3.14 O ATOM 1261 CB MET A 83 -7.760 -14.802 10.033 1.00 42.12 C ATOM 1262 CG MET A 83 -7.437 -15.295 11.434 1.00 74.31 C ATOM 1263 SD MET A 83 -7.380 -13.960 12.644 1.00 34.35 S ATOM 1264 CE MET A 83 -9.125 -13.610 12.844 1.00 15.32 C ATOM 0 H MET A 83 -8.109 -13.163 8.158 1.00 51.12 H new ATOM 0 HA MET A 83 -6.059 -13.498 10.183 1.00 4.02 H new ATOM 0 HB2 MET A 83 -8.662 -14.191 10.071 1.00 42.12 H new ATOM 0 HB3 MET A 83 -7.982 -15.659 9.397 1.00 42.12 H new ATOM 0 HG2 MET A 83 -8.186 -16.025 11.740 1.00 74.31 H new ATOM 0 HG3 MET A 83 -6.476 -15.810 11.421 1.00 74.31 H new ATOM 0 HE1 MET A 83 -9.273 -12.991 13.729 1.00 15.32 H new ATOM 0 HE2 MET A 83 -9.493 -13.081 11.965 1.00 15.32 H new ATOM 0 HE3 MET A 83 -9.673 -14.545 12.960 1.00 15.32 H new ATOM 1274 N ALA A 84 -6.106 -15.279 7.411 1.00 41.02 N ATOM 1275 CA ALA A 84 -5.304 -16.158 6.568 1.00 15.41 C ATOM 1276 C ALA A 84 -3.899 -15.599 6.373 1.00 21.42 C ATOM 1277 O ALA A 84 -2.911 -16.324 6.492 1.00 53.11 O ATOM 1278 CB ALA A 84 -5.984 -16.363 5.222 1.00 13.44 C ATOM 0 H ALA A 84 -6.987 -14.982 6.993 1.00 41.02 H new ATOM 0 HA ALA A 84 -5.217 -17.122 7.069 1.00 15.41 H new ATOM 0 HB1 ALA A 84 -5.374 -17.021 4.603 1.00 13.44 H new ATOM 0 HB2 ALA A 84 -6.965 -16.814 5.375 1.00 13.44 H new ATOM 0 HB3 ALA A 84 -6.101 -15.401 4.723 1.00 13.44 H new ATOM 1284 N MET A 85 -3.817 -14.307 6.073 1.00 63.42 N ATOM 1285 CA MET A 85 -2.531 -13.652 5.862 1.00 61.40 C ATOM 1286 C MET A 85 -1.675 -13.716 7.123 1.00 14.53 C ATOM 1287 O MET A 85 -0.451 -13.607 7.060 1.00 62.50 O ATOM 1288 CB MET A 85 -2.739 -12.195 5.445 1.00 21.21 C ATOM 1289 CG MET A 85 -3.674 -12.030 4.258 1.00 33.32 C ATOM 1290 SD MET A 85 -3.521 -10.415 3.472 1.00 0.34 S ATOM 1291 CE MET A 85 -3.277 -10.891 1.763 1.00 21.42 C ATOM 0 H MET A 85 -4.625 -13.693 5.971 1.00 63.42 H new ATOM 0 HA MET A 85 -2.009 -14.179 5.063 1.00 61.40 H new ATOM 0 HB2 MET A 85 -3.138 -11.637 6.292 1.00 21.21 H new ATOM 0 HB3 MET A 85 -1.773 -11.754 5.200 1.00 21.21 H new ATOM 0 HG2 MET A 85 -3.464 -12.808 3.524 1.00 33.32 H new ATOM 0 HG3 MET A 85 -4.703 -12.173 4.588 1.00 33.32 H new ATOM 0 HE1 MET A 85 -3.166 -9.997 1.149 1.00 21.42 H new ATOM 0 HE2 MET A 85 -2.378 -11.502 1.680 1.00 21.42 H new ATOM 0 HE3 MET A 85 -4.138 -11.463 1.418 1.00 21.42 H new ATOM 1301 N SER A 86 -2.328 -13.891 8.268 1.00 53.43 N ATOM 1302 CA SER A 86 -1.627 -13.964 9.544 1.00 12.23 C ATOM 1303 C SER A 86 -0.793 -15.238 9.634 1.00 71.23 C ATOM 1304 O SER A 86 0.163 -15.315 10.406 1.00 50.23 O ATOM 1305 CB SER A 86 -2.626 -13.912 10.702 1.00 3.03 C ATOM 1306 OG SER A 86 -2.029 -13.365 11.866 1.00 55.24 O ATOM 0 H SER A 86 -3.341 -13.985 8.338 1.00 53.43 H new ATOM 0 HA SER A 86 -0.957 -13.107 9.612 1.00 12.23 H new ATOM 0 HB2 SER A 86 -3.489 -13.311 10.415 1.00 3.03 H new ATOM 0 HB3 SER A 86 -2.993 -14.916 10.915 1.00 3.03 H new ATOM 0 HG SER A 86 -2.688 -13.341 12.591 1.00 55.24 H new ATOM 1312 N TYR A 87 -1.162 -16.236 8.839 1.00 74.14 N ATOM 1313 CA TYR A 87 -0.451 -17.509 8.829 1.00 41.23 C ATOM 1314 C TYR A 87 0.654 -17.507 7.777 1.00 3.20 C ATOM 1315 O TYR A 87 1.613 -18.275 7.865 1.00 55.22 O ATOM 1316 CB TYR A 87 -1.423 -18.659 8.560 1.00 14.45 C ATOM 1317 CG TYR A 87 -2.547 -18.749 9.568 1.00 12.31 C ATOM 1318 CD1 TYR A 87 -3.715 -18.014 9.403 1.00 2.31 C ATOM 1319 CD2 TYR A 87 -2.441 -19.568 10.685 1.00 12.33 C ATOM 1320 CE1 TYR A 87 -4.744 -18.092 10.321 1.00 20.24 C ATOM 1321 CE2 TYR A 87 -3.466 -19.654 11.608 1.00 43.42 C ATOM 1322 CZ TYR A 87 -4.615 -18.914 11.422 1.00 41.13 C ATOM 1323 OH TYR A 87 -5.637 -18.996 12.339 1.00 12.52 O ATOM 0 H TYR A 87 -1.950 -16.188 8.193 1.00 74.14 H new ATOM 0 HA TYR A 87 0.004 -17.649 9.809 1.00 41.23 H new ATOM 0 HB2 TYR A 87 -1.848 -18.539 7.564 1.00 14.45 H new ATOM 0 HB3 TYR A 87 -0.870 -19.598 8.560 1.00 14.45 H new ATOM 0 HD1 TYR A 87 -3.820 -17.371 8.542 1.00 2.31 H new ATOM 0 HD2 TYR A 87 -1.542 -20.148 10.835 1.00 12.33 H new ATOM 0 HE1 TYR A 87 -5.644 -17.513 10.178 1.00 20.24 H new ATOM 0 HE2 TYR A 87 -3.368 -20.297 12.470 1.00 43.42 H new ATOM 0 HH TYR A 87 -5.387 -19.619 13.053 1.00 12.52 H new ATOM 1333 N VAL A 88 0.514 -16.637 6.782 1.00 53.12 N ATOM 1334 CA VAL A 88 1.500 -16.532 5.713 1.00 12.10 C ATOM 1335 C VAL A 88 2.624 -15.576 6.095 1.00 42.33 C ATOM 1336 O VAL A 88 2.532 -14.369 5.869 1.00 13.12 O ATOM 1337 CB VAL A 88 0.855 -16.051 4.400 1.00 40.43 C ATOM 1338 CG1 VAL A 88 1.872 -16.065 3.269 1.00 60.13 C ATOM 1339 CG2 VAL A 88 -0.352 -16.909 4.053 1.00 31.04 C ATOM 0 H VAL A 88 -0.273 -15.994 6.694 1.00 53.12 H new ATOM 0 HA VAL A 88 1.911 -17.530 5.562 1.00 12.10 H new ATOM 0 HB VAL A 88 0.514 -15.025 4.538 1.00 40.43 H new ATOM 0 HG11 VAL A 88 1.398 -15.722 2.349 1.00 60.13 H new ATOM 0 HG12 VAL A 88 2.702 -15.404 3.518 1.00 60.13 H new ATOM 0 HG13 VAL A 88 2.246 -17.079 3.128 1.00 60.13 H new ATOM 0 HG21 VAL A 88 -0.795 -16.554 3.122 1.00 31.04 H new ATOM 0 HG22 VAL A 88 -0.039 -17.946 3.934 1.00 31.04 H new ATOM 0 HG23 VAL A 88 -1.088 -16.842 4.854 1.00 31.04 H new ATOM 1349 N LYS A 89 3.687 -16.123 6.674 1.00 4.22 N ATOM 1350 CA LYS A 89 4.833 -15.320 7.087 1.00 55.14 C ATOM 1351 C LYS A 89 5.591 -14.791 5.874 1.00 42.14 C ATOM 1352 O LYS A 89 6.286 -13.778 5.958 1.00 52.25 O ATOM 1353 CB LYS A 89 5.771 -16.148 7.967 1.00 3.32 C ATOM 1354 CG LYS A 89 5.251 -16.361 9.378 1.00 30.12 C ATOM 1355 CD LYS A 89 6.379 -16.673 10.347 1.00 30.12 C ATOM 1356 CE LYS A 89 5.921 -16.553 11.793 1.00 42.13 C ATOM 1357 NZ LYS A 89 6.796 -17.326 12.718 1.00 53.14 N ATOM 0 H LYS A 89 3.779 -17.120 6.868 1.00 4.22 H new ATOM 0 HA LYS A 89 4.463 -14.471 7.661 1.00 55.14 H new ATOM 0 HB2 LYS A 89 5.933 -17.119 7.498 1.00 3.32 H new ATOM 0 HB3 LYS A 89 6.741 -15.652 8.017 1.00 3.32 H new ATOM 0 HG2 LYS A 89 4.721 -15.468 9.710 1.00 30.12 H new ATOM 0 HG3 LYS A 89 4.530 -17.179 9.382 1.00 30.12 H new ATOM 0 HD2 LYS A 89 6.749 -17.682 10.164 1.00 30.12 H new ATOM 0 HD3 LYS A 89 7.211 -15.992 10.170 1.00 30.12 H new ATOM 0 HE2 LYS A 89 5.919 -15.503 12.087 1.00 42.13 H new ATOM 0 HE3 LYS A 89 4.895 -16.911 11.880 1.00 42.13 H new ATOM 0 HZ1 LYS A 89 6.451 -17.219 13.693 1.00 53.14 H new ATOM 0 HZ2 LYS A 89 6.779 -18.332 12.453 1.00 53.14 H new ATOM 0 HZ3 LYS A 89 7.770 -16.968 12.654 1.00 53.14 H new ATOM 1371 N ASP A 90 5.452 -15.482 4.747 1.00 4.44 N ATOM 1372 CA ASP A 90 6.123 -15.079 3.516 1.00 32.53 C ATOM 1373 C ASP A 90 5.270 -14.086 2.733 1.00 63.32 C ATOM 1374 O ASP A 90 4.268 -13.579 3.238 1.00 63.44 O ATOM 1375 CB ASP A 90 6.425 -16.304 2.652 1.00 63.33 C ATOM 1376 CG ASP A 90 7.109 -17.409 3.432 1.00 22.43 C ATOM 1377 OD1 ASP A 90 8.285 -17.227 3.812 1.00 72.45 O ATOM 1378 OD2 ASP A 90 6.469 -18.457 3.663 1.00 1.23 O ATOM 0 H ASP A 90 4.881 -16.323 4.661 1.00 4.44 H new ATOM 0 HA ASP A 90 7.061 -14.592 3.784 1.00 32.53 H new ATOM 0 HB2 ASP A 90 5.495 -16.684 2.229 1.00 63.33 H new ATOM 0 HB3 ASP A 90 7.059 -16.008 1.816 1.00 63.33 H new ATOM 1383 N ASP A 91 5.675 -13.812 1.498 1.00 65.23 N ATOM 1384 CA ASP A 91 4.949 -12.879 0.644 1.00 30.50 C ATOM 1385 C ASP A 91 4.081 -13.628 -0.363 1.00 10.40 C ATOM 1386 O ASP A 91 3.394 -13.015 -1.181 1.00 13.14 O ATOM 1387 CB ASP A 91 5.926 -11.960 -0.090 1.00 50.30 C ATOM 1388 CG ASP A 91 7.084 -12.719 -0.707 1.00 31.41 C ATOM 1389 OD1 ASP A 91 6.866 -13.411 -1.724 1.00 33.34 O ATOM 1390 OD2 ASP A 91 8.209 -12.621 -0.173 1.00 74.34 O ATOM 0 H ASP A 91 6.502 -14.223 1.066 1.00 65.23 H new ATOM 0 HA ASP A 91 4.300 -12.274 1.277 1.00 30.50 H new ATOM 0 HB2 ASP A 91 5.393 -11.418 -0.872 1.00 50.30 H new ATOM 0 HB3 ASP A 91 6.313 -11.216 0.606 1.00 50.30 H new ATOM 1395 N ILE A 92 4.119 -14.954 -0.298 1.00 75.23 N ATOM 1396 CA ILE A 92 3.335 -15.785 -1.204 1.00 65.23 C ATOM 1397 C ILE A 92 2.105 -16.352 -0.505 1.00 32.41 C ATOM 1398 O ILE A 92 2.211 -16.986 0.545 1.00 22.13 O ATOM 1399 CB ILE A 92 4.173 -16.948 -1.768 1.00 25.03 C ATOM 1400 CG1 ILE A 92 5.500 -16.427 -2.324 1.00 2.33 C ATOM 1401 CG2 ILE A 92 3.395 -17.688 -2.846 1.00 4.14 C ATOM 1402 CD1 ILE A 92 6.387 -17.514 -2.889 1.00 5.23 C ATOM 0 H ILE A 92 4.684 -15.476 0.372 1.00 75.23 H new ATOM 0 HA ILE A 92 3.019 -15.143 -2.026 1.00 65.23 H new ATOM 0 HB ILE A 92 4.389 -17.646 -0.959 1.00 25.03 H new ATOM 0 HG12 ILE A 92 5.295 -15.694 -3.105 1.00 2.33 H new ATOM 0 HG13 ILE A 92 6.037 -15.906 -1.531 1.00 2.33 H new ATOM 0 HG21 ILE A 92 4.001 -18.507 -3.235 1.00 4.14 H new ATOM 0 HG22 ILE A 92 2.474 -18.088 -2.421 1.00 4.14 H new ATOM 0 HG23 ILE A 92 3.152 -17.000 -3.656 1.00 4.14 H new ATOM 0 HD11 ILE A 92 7.310 -17.072 -3.265 1.00 5.23 H new ATOM 0 HD12 ILE A 92 6.623 -18.235 -2.106 1.00 5.23 H new ATOM 0 HD13 ILE A 92 5.869 -18.020 -3.704 1.00 5.23 H new ATOM 1414 N PHE A 93 0.937 -16.122 -1.095 1.00 52.02 N ATOM 1415 CA PHE A 93 -0.315 -16.611 -0.530 1.00 13.35 C ATOM 1416 C PHE A 93 -0.874 -17.763 -1.359 1.00 41.03 C ATOM 1417 O PHE A 93 -1.311 -17.570 -2.494 1.00 62.00 O ATOM 1418 CB PHE A 93 -1.341 -15.478 -0.453 1.00 33.21 C ATOM 1419 CG PHE A 93 -2.639 -15.887 0.185 1.00 45.33 C ATOM 1420 CD1 PHE A 93 -2.647 -16.619 1.361 1.00 73.23 C ATOM 1421 CD2 PHE A 93 -3.849 -15.539 -0.392 1.00 52.45 C ATOM 1422 CE1 PHE A 93 -3.839 -16.996 1.950 1.00 32.52 C ATOM 1423 CE2 PHE A 93 -5.044 -15.913 0.193 1.00 51.44 C ATOM 1424 CZ PHE A 93 -5.039 -16.643 1.365 1.00 72.43 C ATOM 0 H PHE A 93 0.831 -15.600 -1.965 1.00 52.02 H new ATOM 0 HA PHE A 93 -0.111 -16.977 0.476 1.00 13.35 H new ATOM 0 HB2 PHE A 93 -0.913 -14.649 0.111 1.00 33.21 H new ATOM 0 HB3 PHE A 93 -1.540 -15.110 -1.459 1.00 33.21 H new ATOM 0 HD1 PHE A 93 -1.711 -16.898 1.823 1.00 73.23 H new ATOM 0 HD2 PHE A 93 -3.859 -14.969 -1.309 1.00 52.45 H new ATOM 0 HE1 PHE A 93 -3.832 -17.566 2.867 1.00 32.52 H new ATOM 0 HE2 PHE A 93 -5.981 -15.634 -0.266 1.00 51.44 H new ATOM 0 HZ PHE A 93 -5.972 -16.937 1.823 1.00 72.43 H new ATOM 1434 N ARG A 94 -0.855 -18.961 -0.785 1.00 34.31 N ATOM 1435 CA ARG A 94 -1.358 -20.145 -1.471 1.00 61.32 C ATOM 1436 C ARG A 94 -2.749 -20.517 -0.966 1.00 52.25 C ATOM 1437 O ARG A 94 -3.033 -20.421 0.228 1.00 24.51 O ATOM 1438 CB ARG A 94 -0.400 -21.322 -1.271 1.00 54.44 C ATOM 1439 CG ARG A 94 0.942 -21.138 -1.961 1.00 31.15 C ATOM 1440 CD ARG A 94 1.956 -20.479 -1.039 1.00 12.52 C ATOM 1441 NE ARG A 94 3.330 -20.780 -1.432 1.00 13.15 N ATOM 1442 CZ ARG A 94 3.915 -21.953 -1.216 1.00 42.32 C ATOM 1443 NH1 ARG A 94 3.250 -22.929 -0.615 1.00 75.32 N ATOM 1444 NH2 ARG A 94 5.169 -22.151 -1.603 1.00 10.31 N ATOM 0 H ARG A 94 -0.497 -19.138 0.154 1.00 34.31 H new ATOM 0 HA ARG A 94 -1.426 -19.916 -2.535 1.00 61.32 H new ATOM 0 HB2 ARG A 94 -0.234 -21.467 -0.204 1.00 54.44 H new ATOM 0 HB3 ARG A 94 -0.871 -22.231 -1.646 1.00 54.44 H new ATOM 0 HG2 ARG A 94 1.321 -22.107 -2.287 1.00 31.15 H new ATOM 0 HG3 ARG A 94 0.812 -20.529 -2.856 1.00 31.15 H new ATOM 0 HD2 ARG A 94 1.805 -19.400 -1.047 1.00 12.52 H new ATOM 0 HD3 ARG A 94 1.789 -20.817 -0.016 1.00 12.52 H new ATOM 0 HE ARG A 94 3.870 -20.050 -1.897 1.00 13.15 H new ATOM 0 HH11 ARG A 94 2.286 -22.781 -0.317 1.00 75.32 H new ATOM 0 HH12 ARG A 94 3.702 -23.828 -0.451 1.00 75.32 H new ATOM 0 HH21 ARG A 94 5.684 -21.402 -2.066 1.00 10.31 H new ATOM 0 HH22 ARG A 94 5.618 -23.052 -1.437 1.00 10.31 H new ATOM 1458 N ILE A 95 -3.612 -20.939 -1.884 1.00 33.41 N ATOM 1459 CA ILE A 95 -4.973 -21.325 -1.532 1.00 30.44 C ATOM 1460 C ILE A 95 -5.467 -22.467 -2.414 1.00 25.12 C ATOM 1461 O ILE A 95 -4.972 -22.666 -3.524 1.00 33.12 O ATOM 1462 CB ILE A 95 -5.945 -20.138 -1.657 1.00 14.42 C ATOM 1463 CG1 ILE A 95 -5.778 -19.454 -3.015 1.00 44.03 C ATOM 1464 CG2 ILE A 95 -5.717 -19.145 -0.526 1.00 75.15 C ATOM 1465 CD1 ILE A 95 -6.784 -18.353 -3.266 1.00 73.12 C ATOM 0 H ILE A 95 -3.393 -21.022 -2.877 1.00 33.41 H new ATOM 0 HA ILE A 95 -4.948 -21.656 -0.494 1.00 30.44 H new ATOM 0 HB ILE A 95 -6.965 -20.514 -1.584 1.00 14.42 H new ATOM 0 HG12 ILE A 95 -4.773 -19.038 -3.082 1.00 44.03 H new ATOM 0 HG13 ILE A 95 -5.867 -20.202 -3.803 1.00 44.03 H new ATOM 0 HG21 ILE A 95 -6.412 -18.311 -0.628 1.00 75.15 H new ATOM 0 HG22 ILE A 95 -5.882 -19.640 0.431 1.00 75.15 H new ATOM 0 HG23 ILE A 95 -4.694 -18.772 -0.570 1.00 75.15 H new ATOM 0 HD11 ILE A 95 -6.605 -17.913 -4.247 1.00 73.12 H new ATOM 0 HD12 ILE A 95 -7.792 -18.766 -3.232 1.00 73.12 H new ATOM 0 HD13 ILE A 95 -6.681 -17.584 -2.500 1.00 73.12 H new ATOM 1477 N TYR A 96 -6.445 -23.213 -1.914 1.00 31.24 N ATOM 1478 CA TYR A 96 -7.006 -24.336 -2.656 1.00 1.12 C ATOM 1479 C TYR A 96 -8.379 -23.984 -3.220 1.00 70.52 C ATOM 1480 O TYR A 96 -9.349 -23.839 -2.476 1.00 53.41 O ATOM 1481 CB TYR A 96 -7.112 -25.568 -1.755 1.00 54.41 C ATOM 1482 CG TYR A 96 -5.773 -26.112 -1.312 1.00 41.52 C ATOM 1483 CD1 TYR A 96 -4.988 -25.419 -0.399 1.00 3.14 C ATOM 1484 CD2 TYR A 96 -5.292 -27.317 -1.808 1.00 20.12 C ATOM 1485 CE1 TYR A 96 -3.763 -25.912 0.008 1.00 2.55 C ATOM 1486 CE2 TYR A 96 -4.069 -27.818 -1.405 1.00 52.02 C ATOM 1487 CZ TYR A 96 -3.308 -27.112 -0.497 1.00 52.52 C ATOM 1488 OH TYR A 96 -2.089 -27.606 -0.095 1.00 21.43 O ATOM 0 H TYR A 96 -6.866 -23.061 -0.998 1.00 31.24 H new ATOM 0 HA TYR A 96 -6.338 -24.560 -3.488 1.00 1.12 H new ATOM 0 HB2 TYR A 96 -7.701 -25.313 -0.874 1.00 54.41 H new ATOM 0 HB3 TYR A 96 -7.655 -26.350 -2.286 1.00 54.41 H new ATOM 0 HD1 TYR A 96 -5.341 -24.479 -0.001 1.00 3.14 H new ATOM 0 HD2 TYR A 96 -5.884 -27.872 -2.521 1.00 20.12 H new ATOM 0 HE1 TYR A 96 -3.165 -25.360 0.718 1.00 2.55 H new ATOM 0 HE2 TYR A 96 -3.711 -28.758 -1.799 1.00 52.02 H new ATOM 0 HH TYR A 96 -1.918 -28.460 -0.544 1.00 21.43 H new ATOM 1498 N ILE A 97 -8.452 -23.851 -4.540 1.00 53.41 N ATOM 1499 CA ILE A 97 -9.706 -23.518 -5.205 1.00 61.33 C ATOM 1500 C ILE A 97 -10.492 -24.777 -5.557 1.00 12.43 C ATOM 1501 O ILE A 97 -9.942 -25.734 -6.101 1.00 73.32 O ATOM 1502 CB ILE A 97 -9.463 -22.703 -6.489 1.00 50.11 C ATOM 1503 CG1 ILE A 97 -8.504 -21.544 -6.210 1.00 20.04 C ATOM 1504 CG2 ILE A 97 -10.781 -22.185 -7.045 1.00 11.43 C ATOM 1505 CD1 ILE A 97 -8.985 -20.611 -5.121 1.00 12.32 C ATOM 0 H ILE A 97 -7.658 -23.969 -5.170 1.00 53.41 H new ATOM 0 HA ILE A 97 -10.284 -22.915 -4.505 1.00 61.33 H new ATOM 0 HB ILE A 97 -9.008 -23.355 -7.235 1.00 50.11 H new ATOM 0 HG12 ILE A 97 -7.531 -21.948 -5.928 1.00 20.04 H new ATOM 0 HG13 ILE A 97 -8.359 -20.974 -7.128 1.00 20.04 H new ATOM 0 HG21 ILE A 97 -10.593 -21.611 -7.952 1.00 11.43 H new ATOM 0 HG22 ILE A 97 -11.434 -23.026 -7.277 1.00 11.43 H new ATOM 0 HG23 ILE A 97 -11.262 -21.546 -6.305 1.00 11.43 H new ATOM 0 HD11 ILE A 97 -8.256 -19.814 -4.977 1.00 12.32 H new ATOM 0 HD12 ILE A 97 -9.943 -20.179 -5.409 1.00 12.32 H new ATOM 0 HD13 ILE A 97 -9.103 -21.167 -4.191 1.00 12.32 H new ATOM 1517 N LYS A 98 -11.783 -24.768 -5.243 1.00 54.43 N ATOM 1518 CA LYS A 98 -12.648 -25.906 -5.528 1.00 73.32 C ATOM 1519 C LYS A 98 -14.008 -25.442 -6.040 1.00 33.05 C ATOM 1520 O LYS A 98 -14.664 -24.609 -5.415 1.00 74.20 O ATOM 1521 CB LYS A 98 -12.829 -26.763 -4.273 1.00 1.53 C ATOM 1522 CG LYS A 98 -11.879 -27.945 -4.201 1.00 63.43 C ATOM 1523 CD LYS A 98 -12.398 -29.022 -3.263 1.00 40.02 C ATOM 1524 CE LYS A 98 -11.868 -30.396 -3.644 1.00 3.15 C ATOM 1525 NZ LYS A 98 -12.787 -31.485 -3.212 1.00 13.55 N ATOM 0 H LYS A 98 -12.253 -23.984 -4.791 1.00 54.43 H new ATOM 0 HA LYS A 98 -12.173 -26.505 -6.304 1.00 73.32 H new ATOM 0 HB2 LYS A 98 -12.684 -26.137 -3.392 1.00 1.53 H new ATOM 0 HB3 LYS A 98 -13.855 -27.130 -4.239 1.00 1.53 H new ATOM 0 HG2 LYS A 98 -11.743 -28.364 -5.198 1.00 63.43 H new ATOM 0 HG3 LYS A 98 -10.900 -27.606 -3.861 1.00 63.43 H new ATOM 0 HD2 LYS A 98 -12.103 -28.788 -2.240 1.00 40.02 H new ATOM 0 HD3 LYS A 98 -13.488 -29.032 -3.286 1.00 40.02 H new ATOM 0 HE2 LYS A 98 -11.729 -30.445 -4.724 1.00 3.15 H new ATOM 0 HE3 LYS A 98 -10.889 -30.546 -3.190 1.00 3.15 H new ATOM 0 HZ1 LYS A 98 -12.243 -32.358 -3.059 1.00 13.55 H new ATOM 0 HZ2 LYS A 98 -13.258 -31.211 -2.326 1.00 13.55 H new ATOM 0 HZ3 LYS A 98 -13.503 -31.648 -3.949 1.00 13.55 H new ATOM 1539 N GLU A 99 -14.425 -25.988 -7.178 1.00 14.51 N ATOM 1540 CA GLU A 99 -15.708 -25.629 -7.771 1.00 40.54 C ATOM 1541 C GLU A 99 -16.851 -26.375 -7.090 1.00 20.15 C ATOM 1542 O GLU A 99 -16.774 -27.584 -6.868 1.00 50.22 O ATOM 1543 CB GLU A 99 -15.706 -25.936 -9.270 1.00 64.32 C ATOM 1544 CG GLU A 99 -15.300 -27.363 -9.598 1.00 25.31 C ATOM 1545 CD GLU A 99 -16.359 -28.104 -10.390 1.00 34.33 C ATOM 1546 OE1 GLU A 99 -17.074 -27.451 -11.179 1.00 63.43 O ATOM 1547 OE2 GLU A 99 -16.475 -29.336 -10.220 1.00 41.11 O ATOM 0 H GLU A 99 -13.894 -26.680 -7.707 1.00 14.51 H new ATOM 0 HA GLU A 99 -15.859 -24.559 -7.626 1.00 40.54 H new ATOM 0 HB2 GLU A 99 -16.702 -25.749 -9.672 1.00 64.32 H new ATOM 0 HB3 GLU A 99 -15.025 -25.249 -9.772 1.00 64.32 H new ATOM 0 HG2 GLU A 99 -14.370 -27.351 -10.166 1.00 25.31 H new ATOM 0 HG3 GLU A 99 -15.101 -27.902 -8.672 1.00 25.31 H new ATOM 1554 N LYS A 100 -17.911 -25.646 -6.758 1.00 73.21 N ATOM 1555 CA LYS A 100 -19.072 -26.237 -6.102 1.00 43.10 C ATOM 1556 C LYS A 100 -19.806 -27.185 -7.045 1.00 23.12 C ATOM 1557 O LYS A 100 -20.487 -28.110 -6.603 1.00 74.54 O ATOM 1558 CB LYS A 100 -20.025 -25.140 -5.621 1.00 24.31 C ATOM 1559 CG LYS A 100 -19.393 -24.177 -4.631 1.00 30.13 C ATOM 1560 CD LYS A 100 -20.441 -23.511 -3.755 1.00 40.32 C ATOM 1561 CE LYS A 100 -20.959 -22.227 -4.385 1.00 72.03 C ATOM 1562 NZ LYS A 100 -22.009 -21.583 -3.548 1.00 41.33 N ATOM 0 H LYS A 100 -17.990 -24.644 -6.932 1.00 73.21 H new ATOM 0 HA LYS A 100 -18.721 -26.808 -5.242 1.00 43.10 H new ATOM 0 HB2 LYS A 100 -20.384 -24.578 -6.483 1.00 24.31 H new ATOM 0 HB3 LYS A 100 -20.896 -25.604 -5.158 1.00 24.31 H new ATOM 0 HG2 LYS A 100 -18.681 -24.714 -4.004 1.00 30.13 H new ATOM 0 HG3 LYS A 100 -18.831 -23.415 -5.171 1.00 30.13 H new ATOM 0 HD2 LYS A 100 -21.271 -24.198 -3.592 1.00 40.32 H new ATOM 0 HD3 LYS A 100 -20.013 -23.291 -2.777 1.00 40.32 H new ATOM 0 HE2 LYS A 100 -20.131 -21.532 -4.527 1.00 72.03 H new ATOM 0 HE3 LYS A 100 -21.365 -22.445 -5.373 1.00 72.03 H new ATOM 0 HZ1 LYS A 100 -22.336 -20.711 -4.011 1.00 41.33 H new ATOM 0 HZ2 LYS A 100 -22.810 -22.236 -3.433 1.00 41.33 H new ATOM 0 HZ3 LYS A 100 -21.615 -21.351 -2.614 1.00 41.33 H new