USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 461 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 : P 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 6 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 84:sc= 1.17 USER MOD Single : P 11 SER OG : rot 4:sc= 0.481 USER MOD Single : P 17 SER OG : rot 89:sc= -0.01 USER MOD Single : P 18 THR OG1 : rot -72:sc= 0.897 USER MOD Single : P 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 23 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : P 24 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : P 27 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.25) USER MOD Single : P 28 ASN : amide:sc= -1.8! C(o=-1.8!,f=-4!) USER MOD Single : P 30 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.65) USER MOD Single : P 31 ASN : amide:sc= -2.74! C(o=-2.7!,f=-4.9!) USER MOD Single : P 35 ASN : amide:sc= -1.92! C(o=-1.9!,f=-4.5!) USER MOD Single : P 51 MET CE :methyl -168:sc= -1.24 (180deg=-1.62) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU P 3 -37.825 10.089 15.120 1.00 1.00 N ATOM 31 CA GLU P 3 -36.769 10.059 14.112 1.00 1.00 C ATOM 32 C GLU P 3 -35.550 9.285 14.596 1.00 1.00 C ATOM 33 O GLU P 3 -35.090 8.361 13.924 1.00 1.00 O ATOM 34 CB GLU P 3 -36.358 11.487 13.763 1.00 1.00 C ATOM 35 CG GLU P 3 -37.519 12.190 13.059 1.00 1.00 C ATOM 36 CD GLU P 3 -37.159 13.644 12.786 1.00 1.00 C ATOM 37 OE1 GLU P 3 -36.053 14.032 13.122 1.00 1.00 O ATOM 38 OE2 GLU P 3 -37.995 14.351 12.245 1.00 1.00 O ATOM 0 HA GLU P 3 -37.161 9.552 13.230 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -36.084 12.030 14.668 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -35.479 11.477 13.118 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -37.749 11.682 12.123 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -38.415 12.139 13.678 1.00 1.00 H new ATOM 45 N LYS P 4 -35.027 9.669 15.755 1.00 1.00 N ATOM 46 CA LYS P 4 -33.859 9.017 16.329 1.00 1.00 C ATOM 47 C LYS P 4 -32.679 9.022 15.342 1.00 1.00 C ATOM 48 O LYS P 4 -31.578 8.582 15.676 1.00 1.00 O ATOM 49 CB LYS P 4 -34.228 7.588 16.720 1.00 1.00 C ATOM 50 CG LYS P 4 -35.143 7.566 17.961 1.00 1.00 C ATOM 51 CD LYS P 4 -34.320 7.643 19.255 1.00 1.00 C ATOM 52 CE LYS P 4 -35.265 7.580 20.459 1.00 1.00 C ATOM 53 NZ LYS P 4 -34.476 7.645 21.723 1.00 1.00 N ATOM 0 H LYS P 4 -35.398 10.434 16.318 1.00 1.00 H new ATOM 0 HA LYS P 4 -33.544 9.568 17.215 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -34.731 7.099 15.886 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -33.321 7.019 16.924 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -35.839 8.404 17.919 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -35.741 6.655 17.960 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -33.606 6.821 19.295 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -33.743 8.568 19.279 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -35.975 8.406 20.420 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -35.846 6.658 20.429 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -35.121 7.602 22.538 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -33.816 6.843 21.762 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -33.940 8.536 21.752 1.00 1.00 H new ATOM 67 N VAL P 5 -32.918 9.531 14.131 1.00 1.00 N ATOM 68 CA VAL P 5 -31.880 9.598 13.120 1.00 1.00 C ATOM 69 C VAL P 5 -30.932 10.730 13.479 1.00 1.00 C ATOM 70 O VAL P 5 -29.723 10.653 13.266 1.00 1.00 O ATOM 71 CB VAL P 5 -32.511 9.799 11.721 1.00 1.00 C ATOM 72 CG1 VAL P 5 -32.877 11.273 11.485 1.00 1.00 C ATOM 73 CG2 VAL P 5 -31.528 9.346 10.633 1.00 1.00 C ATOM 0 H VAL P 5 -33.822 9.900 13.835 1.00 1.00 H new ATOM 0 HA VAL P 5 -31.318 8.665 13.087 1.00 1.00 H new ATOM 0 HB VAL P 5 -33.420 9.200 11.675 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -33.318 11.384 10.494 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -33.594 11.595 12.240 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -31.979 11.886 11.553 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -31.980 9.491 9.652 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -30.613 9.934 10.702 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -31.292 8.291 10.772 1.00 1.00 H new ATOM 83 N GLN P 6 -31.522 11.783 14.031 1.00 1.00 N ATOM 84 CA GLN P 6 -30.768 12.960 14.438 1.00 1.00 C ATOM 85 C GLN P 6 -29.815 12.614 15.576 1.00 1.00 C ATOM 86 O GLN P 6 -28.662 13.051 15.591 1.00 1.00 O ATOM 87 CB GLN P 6 -31.735 14.068 14.875 1.00 1.00 C ATOM 88 CG GLN P 6 -30.965 15.370 15.111 1.00 1.00 C ATOM 89 CD GLN P 6 -30.409 15.883 13.790 1.00 1.00 C ATOM 90 OE1 GLN P 6 -31.168 16.290 12.910 1.00 1.00 O ATOM 91 NE2 GLN P 6 -29.122 15.876 13.595 1.00 1.00 N ATOM 0 H GLN P 6 -32.525 11.845 14.207 1.00 1.00 H new ATOM 0 HA GLN P 6 -30.179 13.313 13.591 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -32.497 14.220 14.111 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -32.253 13.771 15.787 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -31.623 16.117 15.555 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -30.152 15.200 15.817 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -28.497 15.538 14.327 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -28.738 16.209 12.710 1.00 1.00 H new ATOM 100 N TYR P 7 -30.297 11.828 16.526 1.00 1.00 N ATOM 101 CA TYR P 7 -29.466 11.437 17.658 1.00 1.00 C ATOM 102 C TYR P 7 -28.248 10.664 17.163 1.00 1.00 C ATOM 103 O TYR P 7 -27.113 10.979 17.516 1.00 1.00 O ATOM 104 CB TYR P 7 -30.278 10.562 18.618 1.00 1.00 C ATOM 105 CG TYR P 7 -29.389 10.079 19.745 1.00 1.00 C ATOM 106 CD1 TYR P 7 -29.083 10.931 20.818 1.00 1.00 C ATOM 107 CD2 TYR P 7 -28.871 8.778 19.719 1.00 1.00 C ATOM 108 CE1 TYR P 7 -28.263 10.478 21.859 1.00 1.00 C ATOM 109 CE2 TYR P 7 -28.051 8.328 20.760 1.00 1.00 C ATOM 110 CZ TYR P 7 -27.747 9.176 21.829 1.00 1.00 C ATOM 111 OH TYR P 7 -26.941 8.726 22.853 1.00 1.00 O ATOM 0 H TYR P 7 -31.245 11.452 16.539 1.00 1.00 H new ATOM 0 HA TYR P 7 -29.133 12.332 18.183 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -31.117 11.129 19.021 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -30.698 9.710 18.082 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -29.480 11.935 20.841 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -29.105 8.121 18.894 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -28.028 11.133 22.685 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -27.653 7.324 20.737 1.00 1.00 H new ATOM 0 HH TYR P 7 -26.671 7.801 22.675 1.00 1.00 H new ATOM 121 N LEU P 8 -28.492 9.650 16.343 1.00 1.00 N ATOM 122 CA LEU P 8 -27.396 8.844 15.811 1.00 1.00 C ATOM 123 C LEU P 8 -26.360 9.752 15.154 1.00 1.00 C ATOM 124 O LEU P 8 -25.155 9.527 15.278 1.00 1.00 O ATOM 125 CB LEU P 8 -27.934 7.852 14.778 1.00 1.00 C ATOM 126 CG LEU P 8 -28.819 6.799 15.456 1.00 1.00 C ATOM 127 CD1 LEU P 8 -29.567 6.017 14.375 1.00 1.00 C ATOM 128 CD2 LEU P 8 -27.967 5.827 16.303 1.00 1.00 C ATOM 0 H LEU P 8 -29.422 9.368 16.034 1.00 1.00 H new ATOM 0 HA LEU P 8 -26.929 8.295 16.629 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -28.508 8.384 14.019 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -27.104 7.364 14.267 1.00 1.00 H new ATOM 0 HG LEU P 8 -29.525 7.300 16.119 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -30.201 5.264 14.843 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -30.185 6.701 13.793 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -28.849 5.528 13.717 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -28.617 5.089 16.774 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -27.248 5.319 15.661 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -27.435 6.386 17.073 1.00 1.00 H new ATOM 140 N THR P 9 -26.834 10.776 14.460 1.00 1.00 N ATOM 141 CA THR P 9 -25.935 11.710 13.792 1.00 1.00 C ATOM 142 C THR P 9 -25.067 12.443 14.813 1.00 1.00 C ATOM 143 O THR P 9 -23.854 12.579 14.636 1.00 1.00 O ATOM 144 CB THR P 9 -26.744 12.723 12.984 1.00 1.00 C ATOM 145 OG1 THR P 9 -27.693 12.034 12.182 1.00 1.00 O ATOM 146 CG2 THR P 9 -25.808 13.533 12.092 1.00 1.00 C ATOM 0 H THR P 9 -27.826 10.982 14.344 1.00 1.00 H new ATOM 0 HA THR P 9 -25.287 11.146 13.121 1.00 1.00 H new ATOM 0 HB THR P 9 -27.264 13.399 13.663 1.00 1.00 H new ATOM 0 HG1 THR P 9 -28.492 11.840 12.715 1.00 1.00 H new ATOM 0 HG21 THR P 9 -26.388 14.255 11.517 1.00 1.00 H new ATOM 0 HG22 THR P 9 -25.082 14.061 12.711 1.00 1.00 H new ATOM 0 HG23 THR P 9 -25.284 12.863 11.410 1.00 1.00 H new ATOM 154 N ARG P 10 -25.696 12.916 15.882 1.00 1.00 N ATOM 155 CA ARG P 10 -24.976 13.632 16.925 1.00 1.00 C ATOM 156 C ARG P 10 -23.902 12.732 17.522 1.00 1.00 C ATOM 157 O ARG P 10 -22.778 13.152 17.764 1.00 1.00 O ATOM 158 CB ARG P 10 -25.940 14.096 18.019 1.00 1.00 C ATOM 159 CG ARG P 10 -25.181 14.937 19.054 1.00 1.00 C ATOM 160 CD ARG P 10 -26.157 15.456 20.106 1.00 1.00 C ATOM 161 NE ARG P 10 -25.468 16.365 21.021 1.00 1.00 N ATOM 162 CZ ARG P 10 -25.349 17.662 20.754 1.00 1.00 C ATOM 163 NH1 ARG P 10 -25.850 18.159 19.653 1.00 1.00 N ATOM 164 NH2 ARG P 10 -24.729 18.439 21.596 1.00 1.00 N ATOM 0 H ARG P 10 -26.698 12.817 16.048 1.00 1.00 H new ATOM 0 HA ARG P 10 -24.503 14.510 16.485 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -26.747 14.683 17.581 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -26.399 13.234 18.503 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -24.405 14.336 19.528 1.00 1.00 H new ATOM 0 HG3 ARG P 10 -24.681 15.772 18.563 1.00 1.00 H new ATOM 0 HD2 ARG P 10 -26.986 15.973 19.622 1.00 1.00 H new ATOM 0 HD3 ARG P 10 -26.583 14.621 20.662 1.00 1.00 H new ATOM 0 HE ARG P 10 -25.069 15.995 21.884 1.00 1.00 H new ATOM 0 HH11 ARG P 10 -26.335 17.551 18.994 1.00 1.00 H new ATOM 0 HH12 ARG P 10 -25.755 19.155 19.454 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -24.338 18.052 22.455 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -24.635 19.435 21.397 1.00 1.00 H new ATOM 178 N SER P 11 -24.265 11.484 17.756 1.00 1.00 N ATOM 179 CA SER P 11 -23.328 10.519 18.324 1.00 1.00 C ATOM 180 C SER P 11 -22.263 10.161 17.302 1.00 1.00 C ATOM 181 O SER P 11 -21.151 9.779 17.651 1.00 1.00 O ATOM 182 CB SER P 11 -24.067 9.253 18.735 1.00 1.00 C ATOM 183 OG SER P 11 -24.789 8.751 17.616 1.00 1.00 O ATOM 0 H SER P 11 -25.195 11.112 17.565 1.00 1.00 H new ATOM 0 HA SER P 11 -22.857 10.968 19.199 1.00 1.00 H new ATOM 0 HB2 SER P 11 -23.360 8.504 19.093 1.00 1.00 H new ATOM 0 HB3 SER P 11 -24.749 9.466 19.558 1.00 1.00 H new ATOM 0 HG SER P 11 -24.594 9.300 16.828 1.00 1.00 H new ATOM 189 N ALA P 12 -22.630 10.291 16.037 1.00 1.00 N ATOM 190 CA ALA P 12 -21.714 9.981 14.954 1.00 1.00 C ATOM 191 C ALA P 12 -20.515 10.907 15.006 1.00 1.00 C ATOM 192 O ALA P 12 -19.381 10.492 14.780 1.00 1.00 O ATOM 193 CB ALA P 12 -22.421 10.110 13.601 1.00 1.00 C ATOM 0 H ALA P 12 -23.552 10.608 15.737 1.00 1.00 H new ATOM 0 HA ALA P 12 -21.373 8.952 15.071 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -21.720 9.874 12.800 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -23.262 9.418 13.563 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -22.785 11.130 13.476 1.00 1.00 H new ATOM 199 N ILE P 13 -20.776 12.172 15.304 1.00 1.00 N ATOM 200 CA ILE P 13 -19.710 13.167 15.386 1.00 1.00 C ATOM 201 C ILE P 13 -18.963 13.074 16.713 1.00 1.00 C ATOM 202 O ILE P 13 -17.790 13.439 16.796 1.00 1.00 O ATOM 203 CB ILE P 13 -20.249 14.584 15.155 1.00 1.00 C ATOM 204 CG1 ILE P 13 -19.097 15.580 15.290 1.00 1.00 C ATOM 205 CG2 ILE P 13 -21.342 14.916 16.170 1.00 1.00 C ATOM 206 CD1 ILE P 13 -19.534 16.950 14.767 1.00 1.00 C ATOM 0 H ILE P 13 -21.711 12.535 15.492 1.00 1.00 H new ATOM 0 HA ILE P 13 -18.999 12.949 14.589 1.00 1.00 H new ATOM 0 HB ILE P 13 -20.680 14.645 14.156 1.00 1.00 H new ATOM 0 HG12 ILE P 13 -18.793 15.659 16.334 1.00 1.00 H new ATOM 0 HG13 ILE P 13 -18.231 15.226 14.731 1.00 1.00 H new ATOM 0 HG21 ILE P 13 -21.712 15.925 15.990 1.00 1.00 H new ATOM 0 HG22 ILE P 13 -22.162 14.205 16.067 1.00 1.00 H new ATOM 0 HG23 ILE P 13 -20.933 14.854 17.178 1.00 1.00 H new ATOM 0 HD11 ILE P 13 -18.710 17.657 14.865 1.00 1.00 H new ATOM 0 HD12 ILE P 13 -19.817 16.866 13.718 1.00 1.00 H new ATOM 0 HD13 ILE P 13 -20.387 17.305 15.345 1.00 1.00 H new ATOM 218 N ARG P 14 -19.645 12.582 17.748 1.00 1.00 N ATOM 219 CA ARG P 14 -19.009 12.453 19.052 1.00 1.00 C ATOM 220 C ARG P 14 -17.766 11.592 18.879 1.00 1.00 C ATOM 221 O ARG P 14 -16.703 11.901 19.384 1.00 1.00 O ATOM 222 CB ARG P 14 -19.969 11.792 20.046 1.00 1.00 C ATOM 223 CG ARG P 14 -19.337 11.760 21.439 1.00 1.00 C ATOM 224 CD ARG P 14 -20.278 11.035 22.402 1.00 1.00 C ATOM 225 NE ARG P 14 -21.534 11.767 22.532 1.00 1.00 N ATOM 226 CZ ARG P 14 -21.634 12.819 23.342 1.00 1.00 C ATOM 227 NH1 ARG P 14 -20.595 13.220 24.023 1.00 1.00 N ATOM 228 NH2 ARG P 14 -22.771 13.455 23.454 1.00 1.00 N ATOM 0 H ARG P 14 -20.616 12.273 17.709 1.00 1.00 H new ATOM 0 HA ARG P 14 -18.742 13.436 19.441 1.00 1.00 H new ATOM 0 HB2 ARG P 14 -20.910 12.342 20.077 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -20.203 10.778 19.720 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -18.373 11.252 21.402 1.00 1.00 H new ATOM 0 HG3 ARG P 14 -19.150 12.775 21.790 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -20.473 10.026 22.039 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -19.804 10.936 23.379 1.00 1.00 H new ATOM 0 HE ARG P 14 -22.348 11.468 21.994 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -19.706 12.727 23.935 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -20.672 14.026 24.643 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -23.583 13.145 22.920 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -22.846 14.261 24.075 1.00 1.00 H new ATOM 242 N ARG P 15 -17.942 10.503 18.160 1.00 1.00 N ATOM 243 CA ARG P 15 -16.873 9.564 17.898 1.00 1.00 C ATOM 244 C ARG P 15 -15.640 10.302 17.401 1.00 1.00 C ATOM 245 O ARG P 15 -14.513 9.930 17.708 1.00 1.00 O ATOM 246 CB ARG P 15 -17.335 8.564 16.846 1.00 1.00 C ATOM 247 CG ARG P 15 -18.505 7.767 17.404 1.00 1.00 C ATOM 248 CD ARG P 15 -19.126 6.931 16.287 1.00 1.00 C ATOM 249 NE ARG P 15 -18.155 5.959 15.784 1.00 1.00 N ATOM 250 CZ ARG P 15 -18.018 4.755 16.338 1.00 1.00 C ATOM 251 NH1 ARG P 15 -18.753 4.418 17.361 1.00 1.00 N ATOM 252 NH2 ARG P 15 -17.147 3.909 15.862 1.00 1.00 N ATOM 0 H ARG P 15 -18.834 10.244 17.739 1.00 1.00 H new ATOM 0 HA ARG P 15 -16.619 9.038 18.818 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -17.633 9.085 15.936 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -16.517 7.895 16.577 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -18.166 7.120 18.213 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -19.250 8.441 17.827 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -20.010 6.414 16.659 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -19.454 7.581 15.476 1.00 1.00 H new ATOM 0 HE ARG P 15 -17.568 6.210 14.989 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -19.434 5.077 17.738 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -18.647 3.496 17.784 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -16.568 4.168 15.063 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -17.045 2.988 16.289 1.00 1.00 H new ATOM 266 N ALA P 16 -15.851 11.371 16.650 1.00 1.00 N ATOM 267 CA ALA P 16 -14.721 12.140 16.153 1.00 1.00 C ATOM 268 C ALA P 16 -13.914 12.566 17.357 1.00 1.00 C ATOM 269 O ALA P 16 -12.697 12.737 17.316 1.00 1.00 O ATOM 270 CB ALA P 16 -15.203 13.358 15.365 1.00 1.00 C ATOM 0 H ALA P 16 -16.770 11.720 16.376 1.00 1.00 H new ATOM 0 HA ALA P 16 -14.113 11.541 15.475 1.00 1.00 H new ATOM 0 HB1 ALA P 16 -14.343 13.920 15.002 1.00 1.00 H new ATOM 0 HB2 ALA P 16 -15.805 13.029 14.518 1.00 1.00 H new ATOM 0 HB3 ALA P 16 -15.806 13.995 16.012 1.00 1.00 H new ATOM 276 N SER P 17 -14.652 12.715 18.434 1.00 1.00 N ATOM 277 CA SER P 17 -14.078 13.109 19.704 1.00 1.00 C ATOM 278 C SER P 17 -13.379 11.909 20.344 1.00 1.00 C ATOM 279 O SER P 17 -12.153 11.897 20.479 1.00 1.00 O ATOM 280 CB SER P 17 -15.170 13.653 20.635 1.00 1.00 C ATOM 281 OG SER P 17 -16.168 14.278 19.838 1.00 1.00 O ATOM 0 H SER P 17 -15.661 12.568 18.456 1.00 1.00 H new ATOM 0 HA SER P 17 -13.346 13.899 19.537 1.00 1.00 H new ATOM 0 HB2 SER P 17 -15.605 12.844 21.223 1.00 1.00 H new ATOM 0 HB3 SER P 17 -14.746 14.367 21.341 1.00 1.00 H new ATOM 0 HG SER P 17 -16.840 13.615 19.575 1.00 1.00 H new ATOM 287 N THR P 18 -14.166 10.894 20.762 1.00 1.00 N ATOM 288 CA THR P 18 -13.605 9.697 21.412 1.00 1.00 C ATOM 289 C THR P 18 -14.052 8.372 20.775 1.00 1.00 C ATOM 290 O THR P 18 -14.397 7.425 21.484 1.00 1.00 O ATOM 291 CB THR P 18 -13.998 9.705 22.891 1.00 1.00 C ATOM 292 OG1 THR P 18 -13.475 8.545 23.516 1.00 1.00 O ATOM 293 CG2 THR P 18 -15.521 9.721 23.022 1.00 1.00 C ATOM 0 H THR P 18 -15.181 10.882 20.661 1.00 1.00 H new ATOM 0 HA THR P 18 -12.524 9.749 21.283 1.00 1.00 H new ATOM 0 HB THR P 18 -13.592 10.595 23.372 1.00 1.00 H new ATOM 0 HG1 THR P 18 -13.981 7.759 23.223 1.00 1.00 H new ATOM 0 HG21 THR P 18 -15.795 9.727 24.077 1.00 1.00 H new ATOM 0 HG22 THR P 18 -15.918 10.614 22.539 1.00 1.00 H new ATOM 0 HG23 THR P 18 -15.937 8.834 22.544 1.00 1.00 H new ATOM 301 N ILE P 19 -14.032 8.319 19.445 1.00 1.00 N ATOM 302 CA ILE P 19 -14.420 7.106 18.699 1.00 1.00 C ATOM 303 C ILE P 19 -14.006 5.833 19.459 1.00 1.00 C ATOM 304 O ILE P 19 -14.639 4.787 19.322 1.00 1.00 O ATOM 305 CB ILE P 19 -13.749 7.136 17.320 1.00 1.00 C ATOM 306 CG1 ILE P 19 -13.865 5.766 16.630 1.00 1.00 C ATOM 307 CG2 ILE P 19 -12.282 7.519 17.476 1.00 1.00 C ATOM 308 CD1 ILE P 19 -13.552 5.922 15.139 1.00 1.00 C ATOM 0 H ILE P 19 -13.751 9.101 18.853 1.00 1.00 H new ATOM 0 HA ILE P 19 -15.504 7.090 18.587 1.00 1.00 H new ATOM 0 HB ILE P 19 -14.254 7.876 16.699 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -13.174 5.057 17.086 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -14.869 5.363 16.762 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -11.805 7.540 16.496 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -12.210 8.505 17.936 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -11.780 6.786 18.108 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -13.633 4.953 14.647 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -14.260 6.618 14.689 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -12.539 6.307 15.018 1.00 1.00 H new ATOM 320 N GLU P 20 -12.941 5.941 20.257 1.00 1.00 N ATOM 321 CA GLU P 20 -12.441 4.802 21.039 1.00 1.00 C ATOM 322 C GLU P 20 -11.871 5.288 22.373 1.00 1.00 C ATOM 323 O GLU P 20 -10.671 5.542 22.492 1.00 1.00 O ATOM 324 CB GLU P 20 -11.357 4.074 20.239 1.00 1.00 C ATOM 325 CG GLU P 20 -10.980 2.764 20.944 1.00 1.00 C ATOM 326 CD GLU P 20 -12.141 1.768 20.856 1.00 1.00 C ATOM 327 OE1 GLU P 20 -13.087 2.052 20.140 1.00 1.00 O ATOM 328 OE2 GLU P 20 -12.068 0.737 21.502 1.00 1.00 O ATOM 0 H GLU P 20 -12.408 6.802 20.380 1.00 1.00 H new ATOM 0 HA GLU P 20 -13.263 4.116 21.242 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -11.715 3.865 19.231 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -10.477 4.710 20.139 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -10.089 2.337 20.484 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -10.737 2.960 21.988 1.00 1.00 H new ATOM 335 N MET P 21 -12.749 5.421 23.369 1.00 1.00 N ATOM 336 CA MET P 21 -12.344 5.885 24.697 1.00 1.00 C ATOM 337 C MET P 21 -11.097 5.161 25.203 1.00 1.00 C ATOM 338 O MET P 21 -10.141 5.819 25.613 1.00 1.00 O ATOM 339 CB MET P 21 -13.499 5.755 25.747 1.00 1.00 C ATOM 340 CG MET P 21 -14.815 5.345 25.064 1.00 1.00 C ATOM 341 SD MET P 21 -15.375 6.675 23.976 1.00 1.00 S ATOM 342 CE MET P 21 -16.817 5.812 23.304 1.00 1.00 C ATOM 0 H MET P 21 -13.744 5.214 23.281 1.00 1.00 H new ATOM 0 HA MET P 21 -12.104 6.942 24.583 1.00 1.00 H new ATOM 0 HB2 MET P 21 -13.230 5.015 26.501 1.00 1.00 H new ATOM 0 HB3 MET P 21 -13.634 6.704 26.266 1.00 1.00 H new ATOM 0 HG2 MET P 21 -14.669 4.430 24.490 1.00 1.00 H new ATOM 0 HG3 MET P 21 -15.575 5.132 25.815 1.00 1.00 H new ATOM 0 HE1 MET P 21 -17.329 6.459 22.592 1.00 1.00 H new ATOM 0 HE2 MET P 21 -16.494 4.901 22.800 1.00 1.00 H new ATOM 0 HE3 MET P 21 -17.498 5.555 24.115 1.00 1.00 H new ATOM 352 N PRO P 22 -11.066 3.845 25.206 1.00 1.00 N ATOM 353 CA PRO P 22 -9.870 3.129 25.705 1.00 1.00 C ATOM 354 C PRO P 22 -8.604 3.743 25.115 1.00 1.00 C ATOM 355 O PRO P 22 -8.488 3.932 23.909 1.00 1.00 O ATOM 356 CB PRO P 22 -10.064 1.663 25.280 1.00 1.00 C ATOM 357 CG PRO P 22 -11.541 1.505 24.976 1.00 1.00 C ATOM 358 CD PRO P 22 -12.127 2.919 24.747 1.00 1.00 C ATOM 0 HA PRO P 22 -9.757 3.201 26.787 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -9.459 1.428 24.405 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -9.755 0.983 26.074 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -11.685 0.883 24.092 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -12.051 1.009 25.802 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -12.368 3.082 23.697 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -13.049 3.062 25.311 1.00 1.00 H new ATOM 366 N GLN P 23 -7.683 4.044 26.000 1.00 1.00 N ATOM 367 CA GLN P 23 -6.401 4.649 25.628 1.00 1.00 C ATOM 368 C GLN P 23 -5.484 3.640 24.950 1.00 1.00 C ATOM 369 O GLN P 23 -4.454 4.004 24.373 1.00 1.00 O ATOM 370 CB GLN P 23 -5.715 5.208 26.875 1.00 1.00 C ATOM 371 CG GLN P 23 -6.539 6.368 27.443 1.00 1.00 C ATOM 372 CD GLN P 23 -5.892 6.898 28.715 1.00 1.00 C ATOM 373 OE1 GLN P 23 -4.809 6.450 29.095 1.00 1.00 O ATOM 374 NE2 GLN P 23 -6.495 7.834 29.399 1.00 1.00 N ATOM 0 H GLN P 23 -7.790 3.881 27.001 1.00 1.00 H new ATOM 0 HA GLN P 23 -6.601 5.454 24.920 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -5.608 4.424 27.625 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -4.711 5.551 26.626 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -6.614 7.166 26.705 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -7.554 6.033 27.655 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -7.391 8.202 29.080 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -6.069 8.197 30.252 1.00 1.00 H new ATOM 383 N GLN P 24 -5.862 2.363 25.020 1.00 1.00 N ATOM 384 CA GLN P 24 -5.094 1.289 24.420 1.00 1.00 C ATOM 385 C GLN P 24 -5.761 0.900 23.098 1.00 1.00 C ATOM 386 O GLN P 24 -5.104 0.807 22.062 1.00 1.00 O ATOM 387 CB GLN P 24 -5.050 0.109 25.422 1.00 1.00 C ATOM 388 CG GLN P 24 -4.901 -1.232 24.702 1.00 1.00 C ATOM 389 CD GLN P 24 -4.563 -2.341 25.693 1.00 1.00 C ATOM 390 OE1 GLN P 24 -4.848 -2.224 26.885 1.00 1.00 O ATOM 391 NE2 GLN P 24 -3.969 -3.419 25.270 1.00 1.00 N ATOM 0 H GLN P 24 -6.709 2.052 25.495 1.00 1.00 H new ATOM 0 HA GLN P 24 -4.069 1.590 24.204 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -4.218 0.247 26.112 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -5.962 0.103 26.019 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -5.826 -1.474 24.179 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -4.118 -1.160 23.948 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -3.732 -3.517 24.283 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -3.740 -4.166 25.926 1.00 1.00 H new ATOM 400 N ALA P 25 -7.071 0.667 23.159 1.00 1.00 N ATOM 401 CA ALA P 25 -7.799 0.279 21.955 1.00 1.00 C ATOM 402 C ALA P 25 -7.722 1.387 20.908 1.00 1.00 C ATOM 403 O ALA P 25 -7.792 1.135 19.714 1.00 1.00 O ATOM 404 CB ALA P 25 -9.259 -0.080 22.270 1.00 1.00 C ATOM 0 H ALA P 25 -7.636 0.738 24.005 1.00 1.00 H new ATOM 0 HA ALA P 25 -7.326 -0.615 21.549 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -9.770 -0.364 21.350 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -9.285 -0.913 22.972 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -9.759 0.782 22.712 1.00 1.00 H new ATOM 410 N ARG P 26 -7.575 2.619 21.350 1.00 1.00 N ATOM 411 CA ARG P 26 -7.490 3.713 20.430 1.00 1.00 C ATOM 412 C ARG P 26 -6.246 3.568 19.561 1.00 1.00 C ATOM 413 O ARG P 26 -6.294 3.794 18.354 1.00 1.00 O ATOM 414 CB ARG P 26 -7.437 5.022 21.215 1.00 1.00 C ATOM 415 CG ARG P 26 -7.460 6.184 20.241 1.00 1.00 C ATOM 416 CD ARG P 26 -7.467 7.497 21.009 1.00 1.00 C ATOM 417 NE ARG P 26 -7.679 8.609 20.092 1.00 1.00 N ATOM 418 CZ ARG P 26 -7.429 9.863 20.456 1.00 1.00 C ATOM 419 NH1 ARG P 26 -6.971 10.121 21.652 1.00 1.00 N ATOM 420 NH2 ARG P 26 -7.639 10.836 19.613 1.00 1.00 N ATOM 0 H ARG P 26 -7.513 2.878 22.335 1.00 1.00 H new ATOM 0 HA ARG P 26 -8.366 3.715 19.781 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -8.285 5.086 21.897 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -6.534 5.059 21.824 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -6.590 6.139 19.586 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -8.342 6.120 19.604 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -8.253 7.482 21.764 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -6.522 7.625 21.536 1.00 1.00 H new ATOM 0 HE ARG P 26 -8.026 8.422 19.151 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -6.804 9.359 22.310 1.00 1.00 H new ATOM 0 HH12 ARG P 26 -6.780 11.084 21.928 1.00 1.00 H new ATOM 0 HH21 ARG P 26 -7.994 10.633 18.678 1.00 1.00 H new ATOM 0 HH22 ARG P 26 -7.448 11.799 19.888 1.00 1.00 H new ATOM 434 N GLN P 27 -5.121 3.182 20.169 1.00 1.00 N ATOM 435 CA GLN P 27 -3.872 3.017 19.421 1.00 1.00 C ATOM 436 C GLN P 27 -3.699 1.598 18.874 1.00 1.00 C ATOM 437 O GLN P 27 -3.146 1.417 17.796 1.00 1.00 O ATOM 438 CB GLN P 27 -2.688 3.357 20.330 1.00 1.00 C ATOM 439 CG GLN P 27 -2.764 4.831 20.758 1.00 1.00 C ATOM 440 CD GLN P 27 -2.569 5.744 19.552 1.00 1.00 C ATOM 441 OE1 GLN P 27 -1.600 5.596 18.809 1.00 1.00 O ATOM 442 NE2 GLN P 27 -3.440 6.686 19.315 1.00 1.00 N ATOM 0 H GLN P 27 -5.049 2.980 21.166 1.00 1.00 H new ATOM 0 HA GLN P 27 -3.911 3.694 18.568 1.00 1.00 H new ATOM 0 HB2 GLN P 27 -2.697 2.713 21.209 1.00 1.00 H new ATOM 0 HB3 GLN P 27 -1.751 3.169 19.806 1.00 1.00 H new ATOM 0 HG2 GLN P 27 -3.729 5.032 21.223 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -2.000 5.039 21.507 1.00 1.00 H new ATOM 0 HE21 GLN P 27 -4.242 6.806 19.933 1.00 1.00 H new ATOM 0 HE22 GLN P 27 -3.319 7.302 18.512 1.00 1.00 H new ATOM 451 N ASN P 28 -4.165 0.596 19.603 1.00 1.00 N ATOM 452 CA ASN P 28 -4.017 -0.779 19.122 1.00 2.31 C ATOM 453 C ASN P 28 -4.779 -1.002 17.817 1.00 1.00 C ATOM 454 O ASN P 28 -4.238 -1.554 16.856 1.00 1.00 O ATOM 455 CB ASN P 28 -4.520 -1.763 20.175 1.00 1.00 C ATOM 456 CG ASN P 28 -4.357 -3.192 19.673 1.00 1.00 C ATOM 457 OD1 ASN P 28 -4.010 -3.413 18.511 1.00 1.00 O ATOM 458 ND2 ASN P 28 -4.588 -4.183 20.485 1.00 1.00 N ATOM 0 H ASN P 28 -4.635 0.696 20.503 1.00 1.00 H new ATOM 0 HA ASN P 28 -2.957 -0.948 18.935 1.00 2.31 H new ATOM 0 HB2 ASN P 28 -3.965 -1.630 21.104 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -5.568 -1.565 20.399 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -4.482 -5.144 20.160 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -4.875 -3.998 21.446 1.00 1.00 H new ATOM 465 N LEU P 29 -6.026 -0.570 17.792 1.00 1.00 N ATOM 466 CA LEU P 29 -6.859 -0.721 16.604 1.00 2.22 C ATOM 467 C LEU P 29 -6.344 0.200 15.535 1.00 1.00 C ATOM 468 O LEU P 29 -6.265 -0.162 14.356 1.00 1.00 O ATOM 469 CB LEU P 29 -8.314 -0.373 16.911 1.00 1.00 C ATOM 470 CG LEU P 29 -8.778 -1.144 18.140 1.00 1.00 C ATOM 471 CD1 LEU P 29 -10.152 -0.620 18.578 1.00 1.00 C ATOM 472 CD2 LEU P 29 -8.885 -2.649 17.823 1.00 1.00 C ATOM 0 H LEU P 29 -6.488 -0.112 18.578 1.00 1.00 H new ATOM 0 HA LEU P 29 -6.816 -1.758 16.271 1.00 2.22 H new ATOM 0 HB2 LEU P 29 -8.413 0.699 17.083 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -8.945 -0.618 16.056 1.00 1.00 H new ATOM 0 HG LEU P 29 -8.051 -1.003 18.940 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -10.488 -1.170 19.458 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -10.077 0.440 18.819 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -10.869 -0.758 17.769 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -9.218 -3.185 18.712 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -9.603 -2.801 17.017 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -7.910 -3.026 17.515 1.00 1.00 H new ATOM 484 N GLN P 30 -5.979 1.407 15.947 1.00 1.00 N ATOM 485 CA GLN P 30 -5.460 2.365 14.986 1.00 2.75 C ATOM 486 C GLN P 30 -4.080 1.930 14.508 1.00 1.00 C ATOM 487 O GLN P 30 -3.687 2.224 13.382 1.00 1.00 O ATOM 488 CB GLN P 30 -5.391 3.770 15.580 1.00 1.00 C ATOM 489 CG GLN P 30 -6.808 4.297 15.801 1.00 1.00 C ATOM 490 CD GLN P 30 -7.447 4.616 14.456 1.00 1.00 C ATOM 491 OE1 GLN P 30 -6.835 5.286 13.622 1.00 1.00 O ATOM 492 NE2 GLN P 30 -8.647 4.174 14.193 1.00 1.00 N ATOM 0 H GLN P 30 -6.031 1.737 16.911 1.00 1.00 H new ATOM 0 HA GLN P 30 -6.144 2.394 14.137 1.00 2.75 H new ATOM 0 HB2 GLN P 30 -4.847 3.751 16.524 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -4.845 4.434 14.910 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -7.405 3.555 16.332 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -6.782 5.191 16.424 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -9.150 3.620 14.886 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -9.082 4.383 13.294 1.00 1.00 H new ATOM 501 N ASN P 31 -3.345 1.218 15.364 1.00 1.00 N ATOM 502 CA ASN P 31 -2.012 0.751 14.990 1.00 2.26 C ATOM 503 C ASN P 31 -2.134 -0.197 13.810 1.00 1.00 C ATOM 504 O ASN P 31 -1.333 -0.156 12.887 1.00 1.00 O ATOM 505 CB ASN P 31 -1.310 0.034 16.166 1.00 1.00 C ATOM 506 CG ASN P 31 -0.670 1.052 17.114 1.00 1.00 C ATOM 507 OD1 ASN P 31 -0.465 2.207 16.743 1.00 1.00 O ATOM 508 ND2 ASN P 31 -0.343 0.690 18.328 1.00 1.00 N ATOM 0 H ASN P 31 -3.644 0.957 16.304 1.00 1.00 H new ATOM 0 HA ASN P 31 -1.406 1.616 14.720 1.00 2.26 H new ATOM 0 HB2 ASN P 31 -2.032 -0.574 16.711 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -0.547 -0.643 15.783 1.00 1.00 H new ATOM 0 HD21 ASN P 31 0.081 1.365 18.965 1.00 1.00 H new ATOM 0 HD22 ASN P 31 -0.512 -0.267 18.638 1.00 1.00 H new ATOM 515 N LEU P 32 -3.146 -1.042 13.856 1.00 1.00 N ATOM 516 CA LEU P 32 -3.369 -1.990 12.793 1.00 2.19 C ATOM 517 C LEU P 32 -3.646 -1.217 11.525 1.00 1.00 C ATOM 518 O LEU P 32 -3.155 -1.563 10.466 1.00 1.00 O ATOM 519 CB LEU P 32 -4.554 -2.898 13.128 1.00 1.00 C ATOM 520 CG LEU P 32 -4.197 -3.850 14.283 1.00 1.00 C ATOM 521 CD1 LEU P 32 -5.483 -4.519 14.782 1.00 1.00 C ATOM 522 CD2 LEU P 32 -3.198 -4.935 13.808 1.00 1.00 C ATOM 0 H LEU P 32 -3.823 -1.088 14.618 1.00 1.00 H new ATOM 0 HA LEU P 32 -2.489 -2.621 12.665 1.00 2.19 H new ATOM 0 HB2 LEU P 32 -5.417 -2.292 13.403 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -4.837 -3.475 12.248 1.00 1.00 H new ATOM 0 HG LEU P 32 -3.729 -3.281 15.087 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -5.246 -5.197 15.602 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -6.178 -3.756 15.132 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -5.941 -5.080 13.967 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -2.958 -5.598 14.639 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -3.646 -5.514 13.000 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -2.286 -4.458 13.450 1.00 1.00 H new ATOM 534 N PHE P 33 -4.435 -0.163 11.650 1.00 1.00 N ATOM 535 CA PHE P 33 -4.765 0.663 10.497 1.00 2.54 C ATOM 536 C PHE P 33 -3.490 1.300 9.948 1.00 1.00 C ATOM 537 O PHE P 33 -3.231 1.268 8.747 1.00 1.00 O ATOM 538 CB PHE P 33 -5.765 1.756 10.888 1.00 1.00 C ATOM 539 CG PHE P 33 -6.107 2.585 9.668 1.00 1.00 C ATOM 540 CD1 PHE P 33 -6.977 2.075 8.692 1.00 1.00 C ATOM 541 CD2 PHE P 33 -5.555 3.864 9.512 1.00 1.00 C ATOM 542 CE1 PHE P 33 -7.293 2.845 7.564 1.00 1.00 C ATOM 543 CE2 PHE P 33 -5.871 4.631 8.384 1.00 1.00 C ATOM 544 CZ PHE P 33 -6.739 4.122 7.410 1.00 1.00 C ATOM 0 H PHE P 33 -4.856 0.140 12.528 1.00 1.00 H new ATOM 0 HA PHE P 33 -5.220 0.035 9.731 1.00 2.54 H new ATOM 0 HB2 PHE P 33 -6.668 1.307 11.301 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -5.341 2.391 11.666 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -7.403 1.090 8.810 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -4.886 4.258 10.262 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -7.964 2.453 6.814 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -5.445 5.616 8.265 1.00 1.00 H new ATOM 0 HZ PHE P 33 -6.981 4.714 6.540 1.00 1.00 H new ATOM 554 N ILE P 34 -2.700 1.875 10.848 1.00 1.00 N ATOM 555 CA ILE P 34 -1.448 2.518 10.455 1.00 2.61 C ATOM 556 C ILE P 34 -0.489 1.476 9.884 1.00 1.00 C ATOM 557 O ILE P 34 0.114 1.689 8.837 1.00 1.00 O ATOM 558 CB ILE P 34 -0.806 3.223 11.660 1.00 1.00 C ATOM 559 CG1 ILE P 34 -1.665 4.430 12.102 1.00 1.00 C ATOM 560 CG2 ILE P 34 0.613 3.698 11.311 1.00 1.00 C ATOM 561 CD1 ILE P 34 -1.826 5.466 10.975 1.00 1.00 C ATOM 0 H ILE P 34 -2.900 1.910 11.847 1.00 1.00 H new ATOM 0 HA ILE P 34 -1.661 3.265 9.690 1.00 2.61 H new ATOM 0 HB ILE P 34 -0.749 2.509 12.481 1.00 1.00 H new ATOM 0 HG12 ILE P 34 -2.648 4.080 12.416 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -1.204 4.905 12.968 1.00 1.00 H new ATOM 0 HG21 ILE P 34 1.053 4.195 12.175 1.00 1.00 H new ATOM 0 HG22 ILE P 34 1.226 2.840 11.035 1.00 1.00 H new ATOM 0 HG23 ILE P 34 0.568 4.396 10.475 1.00 1.00 H new ATOM 0 HD11 ILE P 34 -2.436 6.297 11.329 1.00 1.00 H new ATOM 0 HD12 ILE P 34 -0.845 5.837 10.679 1.00 1.00 H new ATOM 0 HD13 ILE P 34 -2.311 4.999 10.118 1.00 1.00 H new ATOM 573 N ASN P 35 -0.359 0.349 10.575 1.00 1.00 N ATOM 574 CA ASN P 35 0.519 -0.709 10.120 1.00 2.48 C ATOM 575 C ASN P 35 -0.028 -1.271 8.828 1.00 1.00 C ATOM 576 O ASN P 35 0.709 -1.549 7.883 1.00 1.00 O ATOM 577 CB ASN P 35 0.601 -1.811 11.172 1.00 1.00 C ATOM 578 CG ASN P 35 1.492 -2.945 10.675 1.00 1.00 C ATOM 579 OD1 ASN P 35 1.834 -2.996 9.492 1.00 1.00 O ATOM 580 ND2 ASN P 35 1.893 -3.859 11.514 1.00 1.00 N ATOM 0 H ASN P 35 -0.850 0.150 11.447 1.00 1.00 H new ATOM 0 HA ASN P 35 1.520 -0.311 9.957 1.00 2.48 H new ATOM 0 HB2 ASN P 35 0.999 -1.407 12.103 1.00 1.00 H new ATOM 0 HB3 ASN P 35 -0.397 -2.191 11.390 1.00 1.00 H new ATOM 0 HD21 ASN P 35 2.492 -4.619 11.192 1.00 1.00 H new ATOM 0 HD22 ASN P 35 1.608 -3.814 12.492 1.00 1.00 H new ATOM 587 N PHE P 36 -1.339 -1.442 8.809 1.00 1.00 N ATOM 588 CA PHE P 36 -2.012 -1.983 7.635 1.00 2.33 C ATOM 589 C PHE P 36 -1.865 -1.052 6.439 1.00 1.00 C ATOM 590 O PHE P 36 -1.861 -1.497 5.285 1.00 1.00 O ATOM 591 CB PHE P 36 -3.499 -2.233 7.925 1.00 1.00 C ATOM 592 CG PHE P 36 -4.207 -2.690 6.668 1.00 1.00 C ATOM 593 CD1 PHE P 36 -3.866 -3.916 6.085 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.205 -1.893 6.086 1.00 1.00 C ATOM 595 CE1 PHE P 36 -4.519 -4.344 4.922 1.00 1.00 C ATOM 596 CE2 PHE P 36 -5.855 -2.324 4.924 1.00 1.00 C ATOM 597 CZ PHE P 36 -5.513 -3.549 4.342 1.00 1.00 C ATOM 0 H PHE P 36 -1.958 -1.216 9.588 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.537 -2.933 7.393 1.00 2.33 H new ATOM 0 HB2 PHE P 36 -3.603 -2.988 8.705 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -3.962 -1.321 8.301 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -3.100 -4.532 6.532 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.471 -0.947 6.535 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -4.254 -5.290 4.472 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.622 -1.710 4.476 1.00 1.00 H new ATOM 0 HZ PHE P 36 -6.016 -3.881 3.446 1.00 1.00 H new ATOM 607 N ALA P 37 -1.731 0.239 6.709 1.00 1.00 N ATOM 608 CA ALA P 37 -1.572 1.212 5.646 1.00 1.88 C ATOM 609 C ALA P 37 -0.160 1.133 5.081 1.00 1.00 C ATOM 610 O ALA P 37 0.053 1.303 3.882 1.00 1.00 O ATOM 611 CB ALA P 37 -1.840 2.617 6.178 1.00 1.00 C ATOM 0 H ALA P 37 -1.730 0.632 7.650 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.287 0.992 4.854 1.00 1.88 H new ATOM 0 HB1 ALA P 37 -1.718 3.341 5.372 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -2.858 2.672 6.564 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.136 2.843 6.979 1.00 1.00 H new ATOM 617 N LEU P 38 0.801 0.871 5.967 1.00 1.00 N ATOM 618 CA LEU P 38 2.194 0.769 5.557 1.00 2.11 C ATOM 619 C LEU P 38 2.376 -0.392 4.586 1.00 1.00 C ATOM 620 O LEU P 38 3.137 -0.295 3.625 1.00 1.00 O ATOM 621 CB LEU P 38 3.111 0.584 6.770 1.00 1.00 C ATOM 622 CG LEU P 38 3.181 1.877 7.598 1.00 1.00 C ATOM 623 CD1 LEU P 38 3.960 1.595 8.884 1.00 1.00 C ATOM 624 CD2 LEU P 38 3.885 3.003 6.794 1.00 1.00 C ATOM 0 H LEU P 38 0.639 0.727 6.964 1.00 1.00 H new ATOM 0 HA LEU P 38 2.467 1.698 5.057 1.00 2.11 H new ATOM 0 HB2 LEU P 38 2.741 -0.232 7.391 1.00 1.00 H new ATOM 0 HB3 LEU P 38 4.111 0.304 6.438 1.00 1.00 H new ATOM 0 HG LEU P 38 2.170 2.208 7.836 1.00 1.00 H new ATOM 0 HD11 LEU P 38 4.017 2.505 9.482 1.00 1.00 H new ATOM 0 HD12 LEU P 38 3.452 0.818 9.454 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.967 1.261 8.634 1.00 1.00 H new ATOM 0 HD21 LEU P 38 3.925 3.910 7.397 1.00 1.00 H new ATOM 0 HD22 LEU P 38 4.898 2.691 6.541 1.00 1.00 H new ATOM 0 HD23 LEU P 38 3.327 3.200 5.879 1.00 1.00 H new ATOM 636 N ILE P 39 1.671 -1.489 4.827 1.00 1.00 N ATOM 637 CA ILE P 39 1.780 -2.642 3.940 1.00 2.86 C ATOM 638 C ILE P 39 1.240 -2.252 2.567 1.00 1.00 C ATOM 639 O ILE P 39 1.838 -2.554 1.535 1.00 1.00 O ATOM 640 CB ILE P 39 0.985 -3.828 4.503 1.00 1.00 C ATOM 641 CG1 ILE P 39 1.671 -4.324 5.777 1.00 1.00 C ATOM 642 CG2 ILE P 39 0.946 -4.966 3.475 1.00 1.00 C ATOM 643 CD1 ILE P 39 0.758 -5.322 6.504 1.00 1.00 C ATOM 0 H ILE P 39 1.030 -1.606 5.612 1.00 1.00 H new ATOM 0 HA ILE P 39 2.824 -2.943 3.857 1.00 2.86 H new ATOM 0 HB ILE P 39 -0.034 -3.510 4.724 1.00 1.00 H new ATOM 0 HG12 ILE P 39 2.620 -4.799 5.529 1.00 1.00 H new ATOM 0 HG13 ILE P 39 1.898 -3.482 6.431 1.00 1.00 H new ATOM 0 HG21 ILE P 39 0.380 -5.804 3.881 1.00 1.00 H new ATOM 0 HG22 ILE P 39 0.467 -4.614 2.561 1.00 1.00 H new ATOM 0 HG23 ILE P 39 1.963 -5.289 3.251 1.00 1.00 H new ATOM 0 HD11 ILE P 39 1.251 -5.672 7.411 1.00 1.00 H new ATOM 0 HD12 ILE P 39 -0.180 -4.832 6.767 1.00 1.00 H new ATOM 0 HD13 ILE P 39 0.554 -6.171 5.851 1.00 1.00 H new ATOM 655 N LEU P 40 0.099 -1.570 2.579 1.00 1.00 N ATOM 656 CA LEU P 40 -0.524 -1.128 1.333 1.00 2.53 C ATOM 657 C LEU P 40 0.352 -0.094 0.618 1.00 1.00 C ATOM 658 O LEU P 40 0.597 -0.197 -0.581 1.00 1.00 O ATOM 659 CB LEU P 40 -1.896 -0.511 1.606 1.00 1.00 C ATOM 660 CG LEU P 40 -2.896 -1.591 2.051 1.00 1.00 C ATOM 661 CD1 LEU P 40 -4.184 -0.908 2.525 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.216 -2.558 0.881 1.00 1.00 C ATOM 0 H LEU P 40 -0.409 -1.313 3.425 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.638 -2.005 0.695 1.00 2.53 H new ATOM 0 HB2 LEU P 40 -1.810 0.253 2.379 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -2.263 -0.016 0.707 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.458 -2.171 2.863 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -4.901 -1.665 2.843 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -3.959 -0.247 3.362 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -4.609 -0.326 1.707 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -3.925 -3.314 1.218 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -3.649 -1.997 0.053 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -2.298 -3.044 0.549 1.00 1.00 H new ATOM 674 N ILE P 41 0.811 0.910 1.360 1.00 1.00 N ATOM 675 CA ILE P 41 1.642 1.948 0.750 1.00 1.96 C ATOM 676 C ILE P 41 2.950 1.353 0.206 1.00 1.00 C ATOM 677 O ILE P 41 3.361 1.675 -0.908 1.00 1.00 O ATOM 678 CB ILE P 41 1.901 3.117 1.751 1.00 1.00 C ATOM 679 CG1 ILE P 41 2.011 4.457 1.005 1.00 1.00 C ATOM 680 CG2 ILE P 41 3.199 2.916 2.543 1.00 1.00 C ATOM 681 CD1 ILE P 41 2.135 5.591 2.021 1.00 1.00 C ATOM 0 H ILE P 41 0.630 1.028 2.357 1.00 1.00 H new ATOM 0 HA ILE P 41 1.101 2.367 -0.098 1.00 1.96 H new ATOM 0 HB ILE P 41 1.055 3.127 2.438 1.00 1.00 H new ATOM 0 HG12 ILE P 41 2.878 4.449 0.344 1.00 1.00 H new ATOM 0 HG13 ILE P 41 1.133 4.610 0.377 1.00 1.00 H new ATOM 0 HG21 ILE P 41 3.341 3.752 3.228 1.00 1.00 H new ATOM 0 HG22 ILE P 41 3.138 1.988 3.111 1.00 1.00 H new ATOM 0 HG23 ILE P 41 4.042 2.865 1.854 1.00 1.00 H new ATOM 0 HD11 ILE P 41 2.213 6.543 1.496 1.00 1.00 H new ATOM 0 HD12 ILE P 41 1.254 5.602 2.663 1.00 1.00 H new ATOM 0 HD13 ILE P 41 3.026 5.438 2.630 1.00 1.00 H new ATOM 693 N PHE P 42 3.599 0.492 0.992 1.00 1.00 N ATOM 694 CA PHE P 42 4.855 -0.121 0.559 1.00 2.36 C ATOM 695 C PHE P 42 4.656 -0.936 -0.719 1.00 1.00 C ATOM 696 O PHE P 42 5.437 -0.820 -1.665 1.00 1.00 O ATOM 697 CB PHE P 42 5.397 -1.033 1.659 1.00 1.00 C ATOM 698 CG PHE P 42 6.701 -1.655 1.207 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.875 -0.894 1.215 1.00 1.00 C ATOM 700 CD2 PHE P 42 6.738 -2.993 0.781 1.00 1.00 C ATOM 701 CE1 PHE P 42 9.084 -1.464 0.798 1.00 1.00 C ATOM 702 CE2 PHE P 42 7.950 -3.563 0.365 1.00 1.00 C ATOM 703 CZ PHE P 42 9.124 -2.797 0.373 1.00 1.00 C ATOM 0 H PHE P 42 3.281 0.207 1.918 1.00 1.00 H new ATOM 0 HA PHE P 42 5.568 0.678 0.357 1.00 2.36 H new ATOM 0 HB2 PHE P 42 5.553 -0.462 2.574 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.671 -1.813 1.889 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.849 0.135 1.543 1.00 1.00 H new ATOM 0 HD2 PHE P 42 5.833 -3.583 0.774 1.00 1.00 H new ATOM 0 HE1 PHE P 42 9.988 -0.873 0.804 1.00 1.00 H new ATOM 0 HE2 PHE P 42 7.979 -4.592 0.038 1.00 1.00 H new ATOM 0 HZ PHE P 42 10.058 -3.235 0.052 1.00 1.00 H new ATOM 713 N LEU P 43 3.610 -1.757 -0.740 1.00 1.00 N ATOM 714 CA LEU P 43 3.320 -2.583 -1.910 1.00 2.64 C ATOM 715 C LEU P 43 2.978 -1.693 -3.101 1.00 1.00 C ATOM 716 O LEU P 43 3.410 -1.940 -4.222 1.00 1.00 O ATOM 717 CB LEU P 43 2.152 -3.534 -1.621 1.00 1.00 C ATOM 718 CG LEU P 43 2.575 -4.629 -0.626 1.00 1.00 C ATOM 719 CD1 LEU P 43 1.326 -5.381 -0.148 1.00 1.00 C ATOM 720 CD2 LEU P 43 3.554 -5.624 -1.294 1.00 1.00 C ATOM 0 H LEU P 43 2.953 -1.869 0.032 1.00 1.00 H new ATOM 0 HA LEU P 43 4.204 -3.176 -2.144 1.00 2.64 H new ATOM 0 HB2 LEU P 43 1.311 -2.972 -1.215 1.00 1.00 H new ATOM 0 HB3 LEU P 43 1.811 -3.992 -2.550 1.00 1.00 H new ATOM 0 HG LEU P 43 3.079 -4.163 0.221 1.00 1.00 H new ATOM 0 HD11 LEU P 43 1.617 -6.159 0.558 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.646 -4.683 0.341 1.00 1.00 H new ATOM 0 HD13 LEU P 43 0.826 -5.836 -1.003 1.00 1.00 H new ATOM 0 HD21 LEU P 43 3.841 -6.390 -0.574 1.00 1.00 H new ATOM 0 HD22 LEU P 43 3.068 -6.093 -2.149 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.443 -5.090 -1.630 1.00 1.00 H new ATOM 732 N LEU P 44 2.196 -0.654 -2.852 1.00 1.00 N ATOM 733 CA LEU P 44 1.814 0.260 -3.918 1.00 2.27 C ATOM 734 C LEU P 44 3.028 1.038 -4.422 1.00 1.00 C ATOM 735 O LEU P 44 3.159 1.286 -5.620 1.00 1.00 O ATOM 736 CB LEU P 44 0.742 1.240 -3.421 1.00 1.00 C ATOM 737 CG LEU P 44 -0.603 0.517 -3.216 1.00 1.00 C ATOM 738 CD1 LEU P 44 -1.526 1.397 -2.366 1.00 1.00 C ATOM 739 CD2 LEU P 44 -1.285 0.226 -4.574 1.00 1.00 C ATOM 0 H LEU P 44 1.817 -0.424 -1.933 1.00 1.00 H new ATOM 0 HA LEU P 44 1.407 -0.328 -4.741 1.00 2.27 H new ATOM 0 HB2 LEU P 44 1.063 1.694 -2.483 1.00 1.00 H new ATOM 0 HB3 LEU P 44 0.620 2.049 -4.141 1.00 1.00 H new ATOM 0 HG LEU P 44 -0.415 -0.430 -2.711 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -2.479 0.889 -2.219 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -1.061 1.584 -1.398 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -1.696 2.345 -2.876 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -2.233 -0.285 -4.403 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -1.468 1.164 -5.098 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -0.636 -0.407 -5.179 1.00 1.00 H new ATOM 751 N LEU P 45 3.914 1.433 -3.505 1.00 1.00 N ATOM 752 CA LEU P 45 5.108 2.195 -3.884 1.00 2.30 C ATOM 753 C LEU P 45 6.043 1.406 -4.810 1.00 1.00 C ATOM 754 O LEU P 45 6.552 1.957 -5.780 1.00 1.00 O ATOM 755 CB LEU P 45 5.874 2.635 -2.620 1.00 1.00 C ATOM 756 CG LEU P 45 5.187 3.845 -1.948 1.00 1.00 C ATOM 757 CD1 LEU P 45 5.699 3.984 -0.510 1.00 1.00 C ATOM 758 CD2 LEU P 45 5.492 5.153 -2.715 1.00 1.00 C ATOM 0 H LEU P 45 3.830 1.241 -2.507 1.00 1.00 H new ATOM 0 HA LEU P 45 4.767 3.069 -4.438 1.00 2.30 H new ATOM 0 HB2 LEU P 45 5.927 1.805 -1.915 1.00 1.00 H new ATOM 0 HB3 LEU P 45 6.899 2.895 -2.884 1.00 1.00 H new ATOM 0 HG LEU P 45 4.110 3.676 -1.956 1.00 1.00 H new ATOM 0 HD11 LEU P 45 5.216 4.837 -0.033 1.00 1.00 H new ATOM 0 HD12 LEU P 45 5.467 3.077 0.048 1.00 1.00 H new ATOM 0 HD13 LEU P 45 6.778 4.137 -0.521 1.00 1.00 H new ATOM 0 HD21 LEU P 45 4.996 5.989 -2.221 1.00 1.00 H new ATOM 0 HD22 LEU P 45 6.568 5.325 -2.727 1.00 1.00 H new ATOM 0 HD23 LEU P 45 5.127 5.068 -3.738 1.00 1.00 H new ATOM 770 N ILE P 46 6.270 0.133 -4.525 1.00 1.00 N ATOM 771 CA ILE P 46 7.158 -0.654 -5.384 1.00 2.20 C ATOM 772 C ILE P 46 6.529 -0.772 -6.768 1.00 1.00 C ATOM 773 O ILE P 46 7.213 -0.700 -7.784 1.00 1.00 O ATOM 774 CB ILE P 46 7.461 -2.048 -4.757 1.00 1.00 C ATOM 775 CG1 ILE P 46 8.845 -2.558 -5.218 1.00 1.00 C ATOM 776 CG2 ILE P 46 6.408 -3.093 -5.154 1.00 1.00 C ATOM 777 CD1 ILE P 46 9.985 -1.686 -4.659 1.00 1.00 C ATOM 0 H ILE P 46 5.869 -0.370 -3.733 1.00 1.00 H new ATOM 0 HA ILE P 46 8.118 -0.147 -5.479 1.00 2.20 H new ATOM 0 HB ILE P 46 7.444 -1.917 -3.675 1.00 1.00 H new ATOM 0 HG12 ILE P 46 8.981 -3.589 -4.891 1.00 1.00 H new ATOM 0 HG13 ILE P 46 8.888 -2.560 -6.307 1.00 1.00 H new ATOM 0 HG21 ILE P 46 6.656 -4.051 -4.697 1.00 1.00 H new ATOM 0 HG22 ILE P 46 5.426 -2.769 -4.809 1.00 1.00 H new ATOM 0 HG23 ILE P 46 6.394 -3.202 -6.238 1.00 1.00 H new ATOM 0 HD11 ILE P 46 10.943 -2.075 -5.004 1.00 1.00 H new ATOM 0 HD12 ILE P 46 9.863 -0.660 -5.007 1.00 1.00 H new ATOM 0 HD13 ILE P 46 9.957 -1.705 -3.570 1.00 1.00 H new ATOM 789 N ALA P 47 5.215 -0.948 -6.789 1.00 1.00 N ATOM 790 CA ALA P 47 4.498 -1.070 -8.050 1.00 1.93 C ATOM 791 C ALA P 47 4.765 0.172 -8.910 1.00 1.00 C ATOM 792 O ALA P 47 5.072 0.063 -10.097 1.00 1.00 O ATOM 793 CB ALA P 47 2.997 -1.207 -7.785 1.00 1.00 C ATOM 0 H ALA P 47 4.629 -1.009 -5.956 1.00 1.00 H new ATOM 0 HA ALA P 47 4.845 -1.958 -8.579 1.00 1.93 H new ATOM 0 HB1 ALA P 47 2.467 -1.298 -8.733 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.814 -2.095 -7.180 1.00 1.00 H new ATOM 0 HB3 ALA P 47 2.640 -0.326 -7.253 1.00 1.00 H new ATOM 799 N ILE P 48 4.640 1.347 -8.295 1.00 1.00 N ATOM 800 CA ILE P 48 4.866 2.607 -9.004 1.00 3.04 C ATOM 801 C ILE P 48 6.316 2.710 -9.482 1.00 1.00 C ATOM 802 O ILE P 48 6.573 3.101 -10.621 1.00 1.00 O ATOM 803 CB ILE P 48 4.538 3.787 -8.081 1.00 1.00 C ATOM 804 CG1 ILE P 48 3.033 3.805 -7.802 1.00 1.00 C ATOM 805 CG2 ILE P 48 4.941 5.110 -8.749 1.00 1.00 C ATOM 806 CD1 ILE P 48 2.735 4.778 -6.659 1.00 1.00 C ATOM 0 H ILE P 48 4.385 1.454 -7.313 1.00 1.00 H new ATOM 0 HA ILE P 48 4.213 2.634 -9.876 1.00 3.04 H new ATOM 0 HB ILE P 48 5.091 3.674 -7.149 1.00 1.00 H new ATOM 0 HG12 ILE P 48 2.490 4.104 -8.699 1.00 1.00 H new ATOM 0 HG13 ILE P 48 2.689 2.804 -7.540 1.00 1.00 H new ATOM 0 HG21 ILE P 48 4.703 5.940 -8.084 1.00 1.00 H new ATOM 0 HG22 ILE P 48 6.012 5.103 -8.953 1.00 1.00 H new ATOM 0 HG23 ILE P 48 4.394 5.226 -9.685 1.00 1.00 H new ATOM 0 HD11 ILE P 48 1.663 4.790 -6.461 1.00 1.00 H new ATOM 0 HD12 ILE P 48 3.266 4.459 -5.762 1.00 1.00 H new ATOM 0 HD13 ILE P 48 3.064 5.779 -6.938 1.00 1.00 H new ATOM 818 N ILE P 49 7.258 2.354 -8.613 1.00 1.00 N ATOM 819 CA ILE P 49 8.672 2.412 -8.971 1.00 1.00 C ATOM 820 C ILE P 49 8.961 1.409 -10.083 1.00 1.00 C ATOM 821 O ILE P 49 9.656 1.714 -11.051 1.00 1.00 O ATOM 822 CB ILE P 49 9.540 2.097 -7.750 1.00 1.00 C ATOM 823 CG1 ILE P 49 9.416 3.214 -6.690 1.00 1.00 C ATOM 824 CG2 ILE P 49 11.009 1.930 -8.158 1.00 1.00 C ATOM 825 CD1 ILE P 49 9.852 4.583 -7.245 1.00 1.00 C ATOM 0 H ILE P 49 7.071 2.026 -7.666 1.00 1.00 H new ATOM 0 HA ILE P 49 8.908 3.417 -9.320 1.00 1.00 H new ATOM 0 HB ILE P 49 9.185 1.161 -7.319 1.00 1.00 H new ATOM 0 HG12 ILE P 49 8.384 3.274 -6.345 1.00 1.00 H new ATOM 0 HG13 ILE P 49 10.028 2.962 -5.824 1.00 1.00 H new ATOM 0 HG21 ILE P 49 11.609 1.707 -7.276 1.00 1.00 H new ATOM 0 HG22 ILE P 49 11.097 1.112 -8.873 1.00 1.00 H new ATOM 0 HG23 ILE P 49 11.367 2.852 -8.616 1.00 1.00 H new ATOM 0 HD11 ILE P 49 9.749 5.340 -6.468 1.00 1.00 H new ATOM 0 HD12 ILE P 49 10.892 4.531 -7.566 1.00 1.00 H new ATOM 0 HD13 ILE P 49 9.223 4.848 -8.095 1.00 1.00 H new ATOM 837 N VAL P 50 8.419 0.212 -9.935 1.00 1.00 N ATOM 838 CA VAL P 50 8.625 -0.824 -10.936 1.00 1.00 C ATOM 839 C VAL P 50 8.015 -0.364 -12.251 1.00 1.00 C ATOM 840 O VAL P 50 8.636 -0.468 -13.309 1.00 1.00 O ATOM 841 CB VAL P 50 7.990 -2.144 -10.476 1.00 1.00 C ATOM 842 CG1 VAL P 50 7.992 -3.160 -11.625 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.800 -2.711 -9.306 1.00 1.00 C ATOM 0 H VAL P 50 7.840 -0.066 -9.143 1.00 1.00 H new ATOM 0 HA VAL P 50 9.692 -0.997 -11.073 1.00 1.00 H new ATOM 0 HB VAL P 50 6.962 -1.956 -10.166 1.00 1.00 H new ATOM 0 HG11 VAL P 50 7.539 -4.092 -11.287 1.00 1.00 H new ATOM 0 HG12 VAL P 50 7.420 -2.762 -12.464 1.00 1.00 H new ATOM 0 HG13 VAL P 50 9.018 -3.349 -11.942 1.00 1.00 H new ATOM 0 HG21 VAL P 50 8.354 -3.649 -8.975 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.826 -2.891 -9.627 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.798 -1.997 -8.482 1.00 1.00 H new ATOM 853 N MET P 51 6.792 0.150 -12.173 1.00 1.00 N ATOM 854 CA MET P 51 6.099 0.632 -13.351 1.00 1.00 C ATOM 855 C MET P 51 6.778 1.892 -13.879 1.00 1.00 C ATOM 856 O MET P 51 6.719 2.174 -15.076 1.00 1.00 O ATOM 857 CB MET P 51 4.624 0.927 -13.032 1.00 1.00 C ATOM 858 CG MET P 51 3.827 -0.384 -12.965 1.00 1.00 C ATOM 859 SD MET P 51 2.063 -0.013 -12.789 1.00 1.00 S ATOM 860 CE MET P 51 2.089 0.539 -11.068 1.00 1.00 C ATOM 0 H MET P 51 6.265 0.241 -11.305 1.00 1.00 H new ATOM 0 HA MET P 51 6.140 -0.144 -14.115 1.00 1.00 H new ATOM 0 HB2 MET P 51 4.548 1.457 -12.083 1.00 1.00 H new ATOM 0 HB3 MET P 51 4.202 1.580 -13.796 1.00 1.00 H new ATOM 0 HG2 MET P 51 3.997 -0.972 -13.867 1.00 1.00 H new ATOM 0 HG3 MET P 51 4.168 -0.986 -12.123 1.00 1.00 H new ATOM 0 HE1 MET P 51 1.068 0.614 -10.694 1.00 1.00 H new ATOM 0 HE2 MET P 51 2.645 -0.178 -10.464 1.00 1.00 H new ATOM 0 HE3 MET P 51 2.570 1.515 -11.006 1.00 1.00 H new ATOM 870 N LEU P 52 7.417 2.657 -12.992 1.00 1.00 N ATOM 871 CA LEU P 52 8.082 3.881 -13.425 1.00 1.00 C ATOM 872 C LEU P 52 9.154 3.573 -14.461 1.00 1.00 C ATOM 873 O LEU P 52 9.319 4.310 -15.434 1.00 1.00 O ATOM 874 CB LEU P 52 8.695 4.602 -12.216 1.00 1.00 C ATOM 875 CG LEU P 52 9.440 5.874 -12.655 1.00 1.00 C ATOM 876 CD1 LEU P 52 8.497 6.808 -13.430 1.00 1.00 C ATOM 877 CD2 LEU P 52 9.963 6.587 -11.403 1.00 1.00 C ATOM 0 H LEU P 52 7.486 2.456 -11.994 1.00 1.00 H new ATOM 0 HA LEU P 52 7.342 4.535 -13.886 1.00 1.00 H new ATOM 0 HB2 LEU P 52 7.910 4.862 -11.506 1.00 1.00 H new ATOM 0 HB3 LEU P 52 9.383 3.933 -11.699 1.00 1.00 H new ATOM 0 HG LEU P 52 10.269 5.605 -13.310 1.00 1.00 H new ATOM 0 HD11 LEU P 52 9.040 7.703 -13.733 1.00 1.00 H new ATOM 0 HD12 LEU P 52 8.122 6.294 -14.315 1.00 1.00 H new ATOM 0 HD13 LEU P 52 7.659 7.090 -12.792 1.00 1.00 H new ATOM 0 HD21 LEU P 52 10.495 7.492 -11.695 1.00 1.00 H new ATOM 0 HD22 LEU P 52 9.125 6.851 -10.758 1.00 1.00 H new ATOM 0 HD23 LEU P 52 10.642 5.926 -10.864 1.00 1.00 H new ATOM 889 N LEU P 53 9.881 2.490 -14.254 1.00 1.00 N ATOM 890 CA LEU P 53 10.935 2.104 -15.185 1.00 1.00 C ATOM 891 C LEU P 53 10.335 1.618 -16.500 1.00 1.00 C ATOM 892 O LEU P 53 9.773 0.535 -16.506 1.00 1.00 O ATOM 893 CB LEU P 53 11.792 0.993 -14.573 1.00 1.00 C ATOM 894 CG LEU P 53 12.341 1.431 -13.209 1.00 1.00 C ATOM 895 CD1 LEU P 53 13.132 0.274 -12.594 1.00 1.00 C ATOM 896 CD2 LEU P 53 13.261 2.657 -13.374 1.00 1.00 C ATOM 897 OXT LEU P 53 10.440 2.337 -17.481 1.00 1.00 O ATOM 0 H LEU P 53 9.765 1.864 -13.457 1.00 1.00 H new ATOM 0 HA LEU P 53 11.558 2.977 -15.382 1.00 1.00 H new ATOM 0 HB2 LEU P 53 11.197 0.087 -14.459 1.00 1.00 H new ATOM 0 HB3 LEU P 53 12.617 0.750 -15.243 1.00 1.00 H new ATOM 0 HG LEU P 53 11.511 1.701 -12.556 1.00 1.00 H new ATOM 0 HD11 LEU P 53 13.526 0.577 -11.624 1.00 1.00 H new ATOM 0 HD12 LEU P 53 12.477 -0.587 -12.466 1.00 1.00 H new ATOM 0 HD13 LEU P 53 13.958 0.007 -13.253 1.00 1.00 H new ATOM 0 HD21 LEU P 53 13.644 2.958 -12.399 1.00 1.00 H new ATOM 0 HD22 LEU P 53 14.094 2.401 -14.028 1.00 1.00 H new ATOM 0 HD23 LEU P 53 12.696 3.480 -13.812 1.00 1.00 H new