USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: P 21 MET CE :methyl -171:sc= -1.99 (180deg=-2.42!) USER MOD Set 1.2: P 23 GLN : amide:sc= 0 K(o=-2,f=-2.7) USER MOD Single : P 1 ALA N :NH3+ -170:sc= 0 (180deg=-0.0902) USER MOD Single : P 2 MET CE :methyl -151:sc= -0.205 (180deg=-1.42!) USER MOD Single : P 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 6 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.21) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 72:sc= 0.822 USER MOD Single : P 11 SER OG : rot 141:sc= 0.534 USER MOD Single : P 17 SER OG : rot 180:sc= 0 USER MOD Single : P 18 THR OG1 : rot -75:sc= 1 USER MOD Single : P 24 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.25) USER MOD Single : P 27 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : P 28 ASN : amide:sc= -4.35! C(o=-4.4!,f=-4.3!) USER MOD Single : P 30 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : P 31 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.9!) USER MOD Single : P 35 ASN : amide:sc= -0.0693 K(o=-0.069,f=-1.5) USER MOD Single : P 51 MET CE :methyl -161:sc=-0.00319 (180deg=-0.0809) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 -17.381 -31.736 14.217 1.00 1.00 N ATOM 2 CA ALA P 1 -16.829 -30.361 14.074 1.00 1.00 C ATOM 3 C ALA P 1 -17.879 -29.345 14.508 1.00 1.00 C ATOM 4 O ALA P 1 -17.568 -28.394 15.221 1.00 1.00 O ATOM 5 CB ALA P 1 -16.438 -30.120 12.614 1.00 1.00 C ATOM 0 H1 ALA P 1 -16.619 -32.431 14.086 1.00 1.00 H new ATOM 0 H2 ALA P 1 -17.792 -31.848 15.166 1.00 1.00 H new ATOM 0 H3 ALA P 1 -18.118 -31.891 13.500 1.00 1.00 H new ATOM 0 HA ALA P 1 -15.946 -30.252 14.703 1.00 1.00 H new ATOM 0 HB1 ALA P 1 -16.033 -29.114 12.507 1.00 1.00 H new ATOM 0 HB2 ALA P 1 -15.684 -30.848 12.314 1.00 1.00 H new ATOM 0 HB3 ALA P 1 -17.318 -30.227 11.979 1.00 1.00 H new ATOM 13 N MET P 2 -19.120 -29.555 14.061 1.00 1.00 N ATOM 14 CA MET P 2 -20.234 -28.658 14.389 1.00 1.00 C ATOM 15 C MET P 2 -20.089 -28.044 15.781 1.00 1.00 C ATOM 16 O MET P 2 -20.476 -26.896 16.001 1.00 1.00 O ATOM 17 CB MET P 2 -21.560 -29.418 14.318 1.00 1.00 C ATOM 18 CG MET P 2 -21.851 -29.859 12.876 1.00 1.00 C ATOM 19 SD MET P 2 -22.098 -28.409 11.815 1.00 1.00 S ATOM 20 CE MET P 2 -23.610 -27.787 12.597 1.00 1.00 C ATOM 0 H MET P 2 -19.381 -30.343 13.468 1.00 1.00 H new ATOM 0 HA MET P 2 -20.220 -27.851 13.657 1.00 1.00 H new ATOM 0 HB2 MET P 2 -21.521 -30.290 14.970 1.00 1.00 H new ATOM 0 HB3 MET P 2 -22.369 -28.784 14.681 1.00 1.00 H new ATOM 0 HG2 MET P 2 -21.023 -30.459 12.497 1.00 1.00 H new ATOM 0 HG3 MET P 2 -22.739 -30.491 12.853 1.00 1.00 H new ATOM 0 HE1 MET P 2 -24.209 -27.254 11.858 1.00 1.00 H new ATOM 0 HE2 MET P 2 -24.184 -28.624 12.995 1.00 1.00 H new ATOM 0 HE3 MET P 2 -23.347 -27.109 13.409 1.00 1.00 H new ATOM 30 N GLU P 3 -19.538 -28.809 16.717 1.00 1.00 N ATOM 31 CA GLU P 3 -19.359 -28.318 18.079 1.00 1.00 C ATOM 32 C GLU P 3 -18.188 -27.338 18.184 1.00 1.00 C ATOM 33 O GLU P 3 -18.370 -26.175 18.548 1.00 1.00 O ATOM 34 CB GLU P 3 -19.119 -29.490 19.029 1.00 1.00 C ATOM 35 CG GLU P 3 -20.388 -30.339 19.125 1.00 1.00 C ATOM 36 CD GLU P 3 -20.130 -31.555 20.010 1.00 1.00 C ATOM 37 OE1 GLU P 3 -19.044 -31.642 20.556 1.00 1.00 O ATOM 38 OE2 GLU P 3 -21.020 -32.378 20.128 1.00 1.00 O ATOM 0 H GLU P 3 -19.210 -29.762 16.561 1.00 1.00 H new ATOM 0 HA GLU P 3 -20.271 -27.789 18.356 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -18.288 -30.098 18.670 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -18.841 -29.120 20.016 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -21.204 -29.745 19.536 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -20.698 -30.660 18.131 1.00 1.00 H new ATOM 45 N LYS P 4 -16.988 -27.820 17.873 1.00 1.00 N ATOM 46 CA LYS P 4 -15.788 -27.001 17.940 1.00 1.00 C ATOM 47 C LYS P 4 -15.844 -25.822 16.969 1.00 1.00 C ATOM 48 O LYS P 4 -15.441 -24.710 17.307 1.00 1.00 O ATOM 49 CB LYS P 4 -14.575 -27.885 17.625 1.00 1.00 C ATOM 50 CG LYS P 4 -13.290 -27.299 18.237 1.00 1.00 C ATOM 51 CD LYS P 4 -12.088 -28.286 18.040 1.00 1.00 C ATOM 52 CE LYS P 4 -11.303 -28.451 19.346 1.00 1.00 C ATOM 53 NZ LYS P 4 -9.991 -29.097 19.070 1.00 1.00 N ATOM 0 H LYS P 4 -16.824 -28.780 17.571 1.00 1.00 H new ATOM 0 HA LYS P 4 -15.708 -26.584 18.944 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -14.742 -28.889 18.014 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -14.458 -27.977 16.545 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -13.062 -26.341 17.770 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -13.441 -27.108 19.299 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -12.458 -29.256 17.707 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -11.428 -27.911 17.258 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -11.148 -27.478 19.813 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -11.875 -29.055 20.050 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -9.464 -29.206 19.960 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -10.148 -30.033 18.644 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -9.444 -28.505 18.414 1.00 1.00 H new ATOM 67 N VAL P 5 -16.338 -26.077 15.770 1.00 1.00 N ATOM 68 CA VAL P 5 -16.432 -25.026 14.764 1.00 1.00 C ATOM 69 C VAL P 5 -17.376 -23.914 15.216 1.00 1.00 C ATOM 70 O VAL P 5 -17.081 -22.730 15.056 1.00 1.00 O ATOM 71 CB VAL P 5 -16.878 -25.619 13.413 1.00 1.00 C ATOM 72 CG1 VAL P 5 -18.392 -25.857 13.403 1.00 1.00 C ATOM 73 CG2 VAL P 5 -16.510 -24.650 12.276 1.00 1.00 C ATOM 0 H VAL P 5 -16.677 -26.990 15.469 1.00 1.00 H new ATOM 0 HA VAL P 5 -15.444 -24.584 14.636 1.00 1.00 H new ATOM 0 HB VAL P 5 -16.369 -26.572 13.268 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -18.688 -26.276 12.441 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -18.656 -26.553 14.199 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -18.910 -24.911 13.562 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -16.826 -25.072 11.322 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -17.011 -23.695 12.435 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -15.431 -24.496 12.264 1.00 1.00 H new ATOM 83 N GLN P 6 -18.507 -24.306 15.774 1.00 1.00 N ATOM 84 CA GLN P 6 -19.485 -23.336 16.241 1.00 1.00 C ATOM 85 C GLN P 6 -18.923 -22.505 17.388 1.00 1.00 C ATOM 86 O GLN P 6 -19.118 -21.291 17.438 1.00 1.00 O ATOM 87 CB GLN P 6 -20.771 -24.051 16.687 1.00 1.00 C ATOM 88 CG GLN P 6 -21.838 -23.025 17.099 1.00 1.00 C ATOM 89 CD GLN P 6 -22.216 -22.157 15.905 1.00 1.00 C ATOM 90 OE1 GLN P 6 -22.853 -22.631 14.963 1.00 1.00 O ATOM 91 NE2 GLN P 6 -21.848 -20.905 15.887 1.00 1.00 N ATOM 0 H GLN P 6 -18.771 -25.281 15.915 1.00 1.00 H new ATOM 0 HA GLN P 6 -19.719 -22.665 15.415 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -21.149 -24.673 15.876 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -20.554 -24.716 17.523 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -22.721 -23.539 17.479 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -21.460 -22.400 17.908 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -21.321 -20.517 16.669 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -22.088 -20.314 15.091 1.00 1.00 H new ATOM 100 N TYR P 7 -18.228 -23.156 18.307 1.00 1.00 N ATOM 101 CA TYR P 7 -17.654 -22.443 19.439 1.00 1.00 C ATOM 102 C TYR P 7 -16.648 -21.409 18.942 1.00 1.00 C ATOM 103 O TYR P 7 -16.725 -20.231 19.290 1.00 1.00 O ATOM 104 CB TYR P 7 -16.960 -23.429 20.380 1.00 1.00 C ATOM 105 CG TYR P 7 -16.311 -22.669 21.518 1.00 1.00 C ATOM 106 CD1 TYR P 7 -17.082 -22.253 22.609 1.00 1.00 C ATOM 107 CD2 TYR P 7 -14.941 -22.384 21.479 1.00 1.00 C ATOM 108 CE1 TYR P 7 -16.483 -21.551 23.663 1.00 1.00 C ATOM 109 CE2 TYR P 7 -14.343 -21.682 22.534 1.00 1.00 C ATOM 110 CZ TYR P 7 -15.114 -21.265 23.625 1.00 1.00 C ATOM 111 OH TYR P 7 -14.524 -20.575 24.664 1.00 1.00 O ATOM 0 H TYR P 7 -18.049 -24.160 18.294 1.00 1.00 H new ATOM 0 HA TYR P 7 -18.452 -21.936 19.981 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -17.683 -24.144 20.772 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -16.209 -24.001 19.835 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -18.139 -22.473 22.639 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -14.346 -22.705 20.637 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -17.078 -21.230 24.505 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -13.286 -21.462 22.505 1.00 1.00 H new ATOM 0 HH TYR P 7 -13.568 -20.461 24.480 1.00 1.00 H new ATOM 121 N LEU P 8 -15.707 -21.859 18.123 1.00 1.00 N ATOM 122 CA LEU P 8 -14.698 -20.955 17.586 1.00 1.00 C ATOM 123 C LEU P 8 -15.381 -19.748 16.950 1.00 1.00 C ATOM 124 O LEU P 8 -14.907 -18.621 17.081 1.00 1.00 O ATOM 125 CB LEU P 8 -13.839 -21.675 16.541 1.00 1.00 C ATOM 126 CG LEU P 8 -12.965 -22.756 17.201 1.00 1.00 C ATOM 127 CD1 LEU P 8 -12.358 -23.642 16.105 1.00 1.00 C ATOM 128 CD2 LEU P 8 -11.823 -22.114 18.022 1.00 1.00 C ATOM 0 H LEU P 8 -15.621 -22.829 17.819 1.00 1.00 H new ATOM 0 HA LEU P 8 -14.053 -20.622 18.399 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -14.481 -22.131 15.787 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -13.205 -20.954 16.025 1.00 1.00 H new ATOM 0 HG LEU P 8 -13.586 -23.349 17.872 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -11.736 -24.412 16.562 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -13.158 -24.113 15.534 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -11.748 -23.031 15.440 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -11.219 -22.897 18.479 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -11.197 -21.510 17.365 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -12.247 -21.481 18.802 1.00 1.00 H new ATOM 140 N THR P 9 -16.499 -19.984 16.268 1.00 1.00 N ATOM 141 CA THR P 9 -17.221 -18.887 15.634 1.00 1.00 C ATOM 142 C THR P 9 -17.677 -17.901 16.701 1.00 1.00 C ATOM 143 O THR P 9 -17.546 -16.688 16.545 1.00 1.00 O ATOM 144 CB THR P 9 -18.436 -19.408 14.858 1.00 1.00 C ATOM 145 OG1 THR P 9 -17.997 -20.291 13.833 1.00 1.00 O ATOM 146 CG2 THR P 9 -19.183 -18.233 14.230 1.00 1.00 C ATOM 0 H THR P 9 -16.917 -20.906 16.142 1.00 1.00 H new ATOM 0 HA THR P 9 -16.553 -18.390 14.930 1.00 1.00 H new ATOM 0 HB THR P 9 -19.102 -19.939 15.538 1.00 1.00 H new ATOM 0 HG1 THR P 9 -17.695 -21.133 14.234 1.00 1.00 H new ATOM 0 HG21 THR P 9 -20.047 -18.604 13.678 1.00 1.00 H new ATOM 0 HG22 THR P 9 -19.518 -17.554 15.014 1.00 1.00 H new ATOM 0 HG23 THR P 9 -18.518 -17.702 13.549 1.00 1.00 H new ATOM 154 N ARG P 10 -18.214 -18.430 17.796 1.00 1.00 N ATOM 155 CA ARG P 10 -18.678 -17.578 18.880 1.00 1.00 C ATOM 156 C ARG P 10 -17.503 -16.790 19.431 1.00 1.00 C ATOM 157 O ARG P 10 -17.595 -15.592 19.693 1.00 1.00 O ATOM 158 CB ARG P 10 -19.301 -18.423 19.989 1.00 1.00 C ATOM 159 CG ARG P 10 -20.639 -18.988 19.512 1.00 1.00 C ATOM 160 CD ARG P 10 -21.246 -19.860 20.613 1.00 1.00 C ATOM 161 NE ARG P 10 -22.541 -20.382 20.191 1.00 1.00 N ATOM 162 CZ ARG P 10 -23.387 -20.912 21.067 1.00 1.00 C ATOM 163 NH1 ARG P 10 -23.061 -20.985 22.330 1.00 1.00 N ATOM 164 NH2 ARG P 10 -24.542 -21.361 20.665 1.00 1.00 N ATOM 0 H ARG P 10 -18.337 -19.430 17.954 1.00 1.00 H new ATOM 0 HA ARG P 10 -19.435 -16.892 18.500 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -18.628 -19.236 20.262 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -19.448 -17.817 20.883 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -21.320 -18.175 19.260 1.00 1.00 H new ATOM 0 HG3 ARG P 10 -20.495 -19.576 18.605 1.00 1.00 H new ATOM 0 HD2 ARG P 10 -20.572 -20.685 20.846 1.00 1.00 H new ATOM 0 HD3 ARG P 10 -21.362 -19.276 21.526 1.00 1.00 H new ATOM 0 HE ARG P 10 -22.801 -20.339 19.206 1.00 1.00 H new ATOM 0 HH11 ARG P 10 -22.156 -20.635 22.644 1.00 1.00 H new ATOM 0 HH12 ARG P 10 -23.711 -21.392 23.002 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -24.796 -21.305 19.679 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -25.193 -21.768 21.337 1.00 1.00 H new ATOM 178 N SER P 11 -16.390 -17.474 19.604 1.00 1.00 N ATOM 179 CA SER P 11 -15.196 -16.832 20.121 1.00 1.00 C ATOM 180 C SER P 11 -14.636 -15.881 19.077 1.00 1.00 C ATOM 181 O SER P 11 -13.852 -14.998 19.392 1.00 1.00 O ATOM 182 CB SER P 11 -14.146 -17.882 20.494 1.00 1.00 C ATOM 183 OG SER P 11 -14.562 -18.549 21.678 1.00 1.00 O ATOM 0 H SER P 11 -16.286 -18.467 19.396 1.00 1.00 H new ATOM 0 HA SER P 11 -15.455 -16.269 21.018 1.00 1.00 H new ATOM 0 HB2 SER P 11 -14.024 -18.598 19.681 1.00 1.00 H new ATOM 0 HB3 SER P 11 -13.177 -17.407 20.649 1.00 1.00 H new ATOM 0 HG SER P 11 -14.346 -19.502 21.610 1.00 1.00 H new ATOM 189 N ALA P 12 -15.053 -16.072 17.826 1.00 1.00 N ATOM 190 CA ALA P 12 -14.589 -15.224 16.741 1.00 1.00 C ATOM 191 C ALA P 12 -15.187 -13.827 16.855 1.00 1.00 C ATOM 192 O ALA P 12 -14.527 -12.824 16.584 1.00 1.00 O ATOM 193 CB ALA P 12 -14.953 -15.836 15.382 1.00 1.00 C ATOM 0 H ALA P 12 -15.707 -16.803 17.545 1.00 1.00 H new ATOM 0 HA ALA P 12 -13.504 -15.149 16.815 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -14.597 -15.186 14.583 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -14.486 -16.816 15.288 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -16.035 -15.941 15.309 1.00 1.00 H new ATOM 199 N ILE P 13 -16.450 -13.782 17.258 1.00 1.00 N ATOM 200 CA ILE P 13 -17.166 -12.510 17.411 1.00 1.00 C ATOM 201 C ILE P 13 -16.730 -11.797 18.695 1.00 1.00 C ATOM 202 O ILE P 13 -16.788 -10.572 18.780 1.00 1.00 O ATOM 203 CB ILE P 13 -18.708 -12.749 17.381 1.00 1.00 C ATOM 204 CG1 ILE P 13 -19.426 -11.537 16.753 1.00 1.00 C ATOM 205 CG2 ILE P 13 -19.283 -12.987 18.797 1.00 1.00 C ATOM 206 CD1 ILE P 13 -20.933 -11.816 16.670 1.00 1.00 C ATOM 0 H ILE P 13 -17.004 -14.607 17.486 1.00 1.00 H new ATOM 0 HA ILE P 13 -16.913 -11.860 16.573 1.00 1.00 H new ATOM 0 HB ILE P 13 -18.880 -13.642 16.781 1.00 1.00 H new ATOM 0 HG12 ILE P 13 -19.244 -10.644 17.351 1.00 1.00 H new ATOM 0 HG13 ILE P 13 -19.027 -11.341 15.758 1.00 1.00 H new ATOM 0 HG21 ILE P 13 -20.359 -13.149 18.730 1.00 1.00 H new ATOM 0 HG22 ILE P 13 -18.811 -13.864 19.239 1.00 1.00 H new ATOM 0 HG23 ILE P 13 -19.085 -12.116 19.421 1.00 1.00 H new ATOM 0 HD11 ILE P 13 -21.438 -10.958 16.226 1.00 1.00 H new ATOM 0 HD12 ILE P 13 -21.106 -12.698 16.054 1.00 1.00 H new ATOM 0 HD13 ILE P 13 -21.326 -11.990 17.671 1.00 1.00 H new ATOM 218 N ARG P 14 -16.296 -12.571 19.685 1.00 1.00 N ATOM 219 CA ARG P 14 -15.859 -11.976 20.944 1.00 1.00 C ATOM 220 C ARG P 14 -14.700 -11.032 20.656 1.00 1.00 C ATOM 221 O ARG P 14 -14.640 -9.911 21.155 1.00 1.00 O ATOM 222 CB ARG P 14 -15.413 -13.070 21.922 1.00 1.00 C ATOM 223 CG ARG P 14 -15.054 -12.440 23.269 1.00 1.00 C ATOM 224 CD ARG P 14 -14.603 -13.534 24.237 1.00 1.00 C ATOM 225 NE ARG P 14 -14.405 -12.967 25.567 1.00 1.00 N ATOM 226 CZ ARG P 14 -13.987 -13.717 26.585 1.00 1.00 C ATOM 227 NH1 ARG P 14 -13.750 -14.986 26.407 1.00 1.00 N ATOM 228 NH2 ARG P 14 -13.817 -13.178 27.763 1.00 1.00 N ATOM 0 H ARG P 14 -16.238 -13.588 19.644 1.00 1.00 H new ATOM 0 HA ARG P 14 -16.684 -11.427 21.398 1.00 1.00 H new ATOM 0 HB2 ARG P 14 -16.210 -13.802 22.053 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -14.553 -13.604 21.518 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -14.260 -11.704 23.139 1.00 1.00 H new ATOM 0 HG3 ARG P 14 -15.915 -11.911 23.677 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -15.350 -14.327 24.277 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -13.677 -13.986 23.883 1.00 1.00 H new ATOM 0 HE ARG P 14 -14.591 -11.976 25.720 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -13.885 -15.406 25.487 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -13.430 -15.559 27.187 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -14.004 -12.185 27.901 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -13.497 -13.750 28.544 1.00 1.00 H new ATOM 242 N ARG P 15 -13.789 -11.520 19.841 1.00 1.00 N ATOM 243 CA ARG P 15 -12.617 -10.776 19.450 1.00 1.00 C ATOM 244 C ARG P 15 -13.019 -9.395 18.965 1.00 1.00 C ATOM 245 O ARG P 15 -12.357 -8.401 19.245 1.00 1.00 O ATOM 246 CB ARG P 15 -11.924 -11.523 18.323 1.00 1.00 C ATOM 247 CG ARG P 15 -11.384 -12.838 18.851 1.00 1.00 C ATOM 248 CD ARG P 15 -10.845 -13.652 17.685 1.00 1.00 C ATOM 249 NE ARG P 15 -10.310 -14.931 18.154 1.00 1.00 N ATOM 250 CZ ARG P 15 -9.927 -15.871 17.298 1.00 1.00 C ATOM 251 NH1 ARG P 15 -10.019 -15.666 16.014 1.00 1.00 N ATOM 252 NH2 ARG P 15 -9.461 -17.004 17.744 1.00 1.00 N ATOM 0 H ARG P 15 -13.844 -12.452 19.430 1.00 1.00 H new ATOM 0 HA ARG P 15 -11.946 -10.671 20.303 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -12.624 -11.705 17.508 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -11.112 -10.920 17.917 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -10.595 -12.656 19.580 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -12.171 -13.390 19.364 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -11.639 -13.828 16.959 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -10.064 -13.091 17.173 1.00 1.00 H new ATOM 0 HE ARG P 15 -10.230 -15.103 19.156 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -10.386 -14.781 15.664 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -9.724 -16.390 15.359 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -9.391 -17.167 18.749 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -9.166 -17.728 17.088 1.00 1.00 H new ATOM 266 N ALA P 16 -14.124 -9.334 18.241 1.00 1.00 N ATOM 267 CA ALA P 16 -14.593 -8.055 17.741 1.00 1.00 C ATOM 268 C ALA P 16 -14.756 -7.118 18.918 1.00 1.00 C ATOM 269 O ALA P 16 -14.645 -5.897 18.791 1.00 1.00 O ATOM 270 CB ALA P 16 -15.925 -8.212 17.001 1.00 1.00 C ATOM 0 H ALA P 16 -14.702 -10.137 17.991 1.00 1.00 H new ATOM 0 HA ALA P 16 -13.869 -7.651 17.033 1.00 1.00 H new ATOM 0 HB1 ALA P 16 -16.255 -7.239 16.636 1.00 1.00 H new ATOM 0 HB2 ALA P 16 -15.795 -8.891 16.158 1.00 1.00 H new ATOM 0 HB3 ALA P 16 -16.674 -8.618 17.682 1.00 1.00 H new ATOM 276 N SER P 17 -15.012 -7.720 20.070 1.00 1.00 N ATOM 277 CA SER P 17 -15.186 -6.961 21.297 1.00 1.00 C ATOM 278 C SER P 17 -13.826 -6.616 21.901 1.00 1.00 C ATOM 279 O SER P 17 -13.487 -5.441 22.032 1.00 1.00 O ATOM 280 CB SER P 17 -16.025 -7.759 22.304 1.00 1.00 C ATOM 281 OG SER P 17 -16.639 -6.851 23.216 1.00 1.00 O ATOM 0 H SER P 17 -15.103 -8.730 20.180 1.00 1.00 H new ATOM 0 HA SER P 17 -15.711 -6.035 21.062 1.00 1.00 H new ATOM 0 HB2 SER P 17 -16.785 -8.342 21.783 1.00 1.00 H new ATOM 0 HB3 SER P 17 -15.395 -8.466 22.843 1.00 1.00 H new ATOM 0 HG SER P 17 -17.179 -7.352 23.863 1.00 1.00 H new ATOM 287 N THR P 18 -13.049 -7.643 22.289 1.00 1.00 N ATOM 288 CA THR P 18 -11.722 -7.427 22.905 1.00 1.00 C ATOM 289 C THR P 18 -10.586 -8.195 22.218 1.00 1.00 C ATOM 290 O THR P 18 -9.718 -8.736 22.903 1.00 1.00 O ATOM 291 CB THR P 18 -11.769 -7.850 24.376 1.00 1.00 C ATOM 292 OG1 THR P 18 -10.466 -7.726 24.937 1.00 1.00 O ATOM 293 CG2 THR P 18 -12.235 -9.306 24.476 1.00 1.00 C ATOM 0 H THR P 18 -13.311 -8.624 22.189 1.00 1.00 H new ATOM 0 HA THR P 18 -11.506 -6.364 22.794 1.00 1.00 H new ATOM 0 HB THR P 18 -12.466 -7.213 24.920 1.00 1.00 H new ATOM 0 HG1 THR P 18 -9.900 -8.458 24.615 1.00 1.00 H new ATOM 0 HG21 THR P 18 -12.268 -9.606 25.523 1.00 1.00 H new ATOM 0 HG22 THR P 18 -13.229 -9.401 24.040 1.00 1.00 H new ATOM 0 HG23 THR P 18 -11.539 -9.949 23.936 1.00 1.00 H new ATOM 301 N ILE P 19 -10.594 -8.236 20.882 1.00 1.00 N ATOM 302 CA ILE P 19 -9.541 -8.941 20.123 1.00 1.00 C ATOM 303 C ILE P 19 -8.173 -8.775 20.790 1.00 1.00 C ATOM 304 O ILE P 19 -7.285 -9.602 20.598 1.00 1.00 O ATOM 305 CB ILE P 19 -9.487 -8.426 18.672 1.00 1.00 C ATOM 306 CG1 ILE P 19 -8.237 -8.966 17.957 1.00 1.00 C ATOM 307 CG2 ILE P 19 -9.463 -6.903 18.656 1.00 1.00 C ATOM 308 CD1 ILE P 19 -8.372 -8.728 16.455 1.00 1.00 C ATOM 0 H ILE P 19 -11.309 -7.795 20.303 1.00 1.00 H new ATOM 0 HA ILE P 19 -9.790 -10.002 20.114 1.00 1.00 H new ATOM 0 HB ILE P 19 -10.376 -8.778 18.149 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -7.344 -8.469 18.337 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -8.120 -10.031 18.159 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -9.425 -6.551 17.625 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -10.363 -6.520 19.137 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -8.584 -6.547 19.194 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -7.487 -9.110 15.945 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -9.257 -9.245 16.083 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -8.469 -7.659 16.263 1.00 1.00 H new ATOM 320 N GLU P 20 -8.014 -7.713 21.573 1.00 1.00 N ATOM 321 CA GLU P 20 -6.749 -7.455 22.267 1.00 1.00 C ATOM 322 C GLU P 20 -7.017 -6.789 23.613 1.00 1.00 C ATOM 323 O GLU P 20 -6.613 -7.305 24.655 1.00 1.00 O ATOM 324 CB GLU P 20 -5.850 -6.560 21.401 1.00 1.00 C ATOM 325 CG GLU P 20 -4.485 -6.335 22.078 1.00 1.00 C ATOM 326 CD GLU P 20 -3.683 -7.633 22.123 1.00 1.00 C ATOM 327 OE1 GLU P 20 -4.098 -8.592 21.495 1.00 1.00 O ATOM 328 OE2 GLU P 20 -2.657 -7.648 22.785 1.00 1.00 O ATOM 0 H GLU P 20 -8.740 -7.017 21.745 1.00 1.00 H new ATOM 0 HA GLU P 20 -6.239 -8.403 22.441 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -5.705 -7.020 20.424 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -6.339 -5.601 21.232 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -3.925 -5.575 21.534 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -4.633 -5.958 23.090 1.00 1.00 H new ATOM 335 N MET P 21 -7.695 -5.646 23.578 1.00 1.00 N ATOM 336 CA MET P 21 -8.018 -4.900 24.786 1.00 1.00 C ATOM 337 C MET P 21 -8.784 -3.620 24.362 1.00 1.00 C ATOM 338 O MET P 21 -8.214 -2.807 23.654 1.00 1.00 O ATOM 339 CB MET P 21 -6.686 -4.538 25.521 1.00 1.00 C ATOM 340 CG MET P 21 -6.564 -5.235 26.894 1.00 1.00 C ATOM 341 SD MET P 21 -8.000 -4.854 27.931 1.00 1.00 S ATOM 342 CE MET P 21 -7.824 -3.056 27.933 1.00 1.00 C ATOM 0 H MET P 21 -8.033 -5.215 22.718 1.00 1.00 H new ATOM 0 HA MET P 21 -8.640 -5.484 25.465 1.00 1.00 H new ATOM 0 HB2 MET P 21 -5.840 -4.823 24.895 1.00 1.00 H new ATOM 0 HB3 MET P 21 -6.632 -3.458 25.659 1.00 1.00 H new ATOM 0 HG2 MET P 21 -6.485 -6.313 26.755 1.00 1.00 H new ATOM 0 HG3 MET P 21 -5.651 -4.910 27.393 1.00 1.00 H new ATOM 0 HE1 MET P 21 -8.521 -2.623 28.651 1.00 1.00 H new ATOM 0 HE2 MET P 21 -6.804 -2.791 28.212 1.00 1.00 H new ATOM 0 HE3 MET P 21 -8.041 -2.668 26.938 1.00 1.00 H new ATOM 352 N PRO P 22 -10.026 -3.404 24.752 1.00 1.00 N ATOM 353 CA PRO P 22 -10.793 -2.166 24.349 1.00 1.00 C ATOM 354 C PRO P 22 -9.979 -0.869 24.440 1.00 1.00 C ATOM 355 O PRO P 22 -10.069 -0.004 23.569 1.00 1.00 O ATOM 356 CB PRO P 22 -11.956 -2.159 25.337 1.00 1.00 C ATOM 357 CG PRO P 22 -12.224 -3.599 25.563 1.00 1.00 C ATOM 358 CD PRO P 22 -10.860 -4.277 25.604 1.00 1.00 C ATOM 0 HA PRO P 22 -11.090 -2.199 23.301 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -11.693 -1.649 26.264 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -12.827 -1.648 24.928 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -12.765 -3.754 26.496 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -12.841 -4.011 24.765 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -10.471 -4.339 26.620 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -10.904 -5.295 25.217 1.00 1.00 H new ATOM 366 N GLN P 23 -9.193 -0.745 25.488 1.00 1.00 N ATOM 367 CA GLN P 23 -8.371 0.437 25.691 1.00 1.00 C ATOM 368 C GLN P 23 -7.360 0.577 24.561 1.00 1.00 C ATOM 369 O GLN P 23 -7.157 1.669 24.033 1.00 1.00 O ATOM 370 CB GLN P 23 -7.626 0.331 27.025 1.00 1.00 C ATOM 371 CG GLN P 23 -8.616 0.391 28.185 1.00 1.00 C ATOM 372 CD GLN P 23 -7.868 0.255 29.507 1.00 1.00 C ATOM 373 OE1 GLN P 23 -6.833 0.893 29.699 1.00 1.00 O ATOM 374 NE2 GLN P 23 -8.332 -0.538 30.435 1.00 1.00 N ATOM 0 H GLN P 23 -9.103 -1.451 26.219 1.00 1.00 H new ATOM 0 HA GLN P 23 -9.020 1.313 25.703 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -7.065 -0.603 27.064 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -6.903 1.142 27.112 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -9.163 1.334 28.161 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -9.352 -0.407 28.089 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -9.190 -1.065 30.273 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -7.837 -0.630 31.322 1.00 1.00 H new ATOM 383 N GLN P 24 -6.732 -0.541 24.196 1.00 1.00 N ATOM 384 CA GLN P 24 -5.741 -0.546 23.125 1.00 1.00 C ATOM 385 C GLN P 24 -6.405 -0.911 21.806 1.00 1.00 C ATOM 386 O GLN P 24 -5.795 -0.801 20.745 1.00 1.00 O ATOM 387 CB GLN P 24 -4.643 -1.564 23.432 1.00 1.00 C ATOM 388 CG GLN P 24 -3.948 -1.204 24.745 1.00 1.00 C ATOM 389 CD GLN P 24 -3.259 0.151 24.624 1.00 1.00 C ATOM 390 OE1 GLN P 24 -2.451 0.359 23.721 1.00 1.00 O ATOM 391 NE2 GLN P 24 -3.535 1.086 25.484 1.00 1.00 N ATOM 0 H GLN P 24 -6.893 -1.452 24.626 1.00 1.00 H new ATOM 0 HA GLN P 24 -5.303 0.449 23.050 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -5.072 -2.564 23.500 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -3.916 -1.583 22.620 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -4.677 -1.178 25.555 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -3.216 -1.971 24.999 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -4.206 0.909 26.232 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -3.081 1.996 25.411 1.00 1.00 H new ATOM 400 N ALA P 25 -7.657 -1.348 21.871 1.00 1.00 N ATOM 401 CA ALA P 25 -8.365 -1.718 20.669 1.00 1.00 C ATOM 402 C ALA P 25 -8.501 -0.506 19.780 1.00 1.00 C ATOM 403 O ALA P 25 -8.403 -0.595 18.567 1.00 1.00 O ATOM 404 CB ALA P 25 -9.749 -2.254 21.015 1.00 1.00 C ATOM 0 H ALA P 25 -8.190 -1.451 22.734 1.00 1.00 H new ATOM 0 HA ALA P 25 -7.806 -2.497 20.151 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -10.272 -2.529 20.099 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -9.650 -3.131 21.654 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -10.316 -1.485 21.540 1.00 1.00 H new ATOM 410 N ARG P 26 -8.730 0.627 20.401 1.00 1.00 N ATOM 411 CA ARG P 26 -8.885 1.858 19.672 1.00 1.00 C ATOM 412 C ARG P 26 -7.657 2.153 18.797 1.00 1.00 C ATOM 413 O ARG P 26 -7.783 2.374 17.585 1.00 1.00 O ATOM 414 CB ARG P 26 -9.101 2.975 20.688 1.00 1.00 C ATOM 415 CG ARG P 26 -9.400 4.272 19.966 1.00 1.00 C ATOM 416 CD ARG P 26 -9.620 5.393 20.978 1.00 1.00 C ATOM 417 NE ARG P 26 -10.043 6.611 20.288 1.00 1.00 N ATOM 418 CZ ARG P 26 -11.327 6.839 20.011 1.00 1.00 C ATOM 419 NH1 ARG P 26 -12.232 5.963 20.350 1.00 1.00 N ATOM 420 NH2 ARG P 26 -11.678 7.935 19.402 1.00 1.00 N ATOM 0 H ARG P 26 -8.813 0.719 21.413 1.00 1.00 H new ATOM 0 HA ARG P 26 -9.739 1.781 18.999 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -9.926 2.720 21.353 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -8.213 3.090 21.310 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -8.574 4.527 19.302 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -10.286 4.155 19.342 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -10.376 5.095 21.705 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -8.700 5.580 21.533 1.00 1.00 H new ATOM 0 HE ARG P 26 -9.342 7.299 20.013 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -11.957 5.104 20.827 1.00 1.00 H new ATOM 0 HH12 ARG P 26 -13.215 6.137 20.138 1.00 1.00 H new ATOM 0 HH21 ARG P 26 -10.970 8.620 19.136 1.00 1.00 H new ATOM 0 HH22 ARG P 26 -12.661 8.109 19.190 1.00 1.00 H new ATOM 434 N GLN P 27 -6.470 2.157 19.398 1.00 1.00 N ATOM 435 CA GLN P 27 -5.244 2.433 18.648 1.00 1.00 C ATOM 436 C GLN P 27 -4.715 1.196 17.930 1.00 1.00 C ATOM 437 O GLN P 27 -4.081 1.310 16.880 1.00 1.00 O ATOM 438 CB GLN P 27 -4.172 2.959 19.605 1.00 1.00 C ATOM 439 CG GLN P 27 -4.595 4.325 20.146 1.00 1.00 C ATOM 440 CD GLN P 27 -3.580 4.816 21.171 1.00 1.00 C ATOM 441 OE1 GLN P 27 -2.598 4.132 21.445 1.00 1.00 O ATOM 442 NE2 GLN P 27 -3.761 5.968 21.754 1.00 1.00 N ATOM 0 H GLN P 27 -6.329 1.975 20.392 1.00 1.00 H new ATOM 0 HA GLN P 27 -5.482 3.179 17.890 1.00 1.00 H new ATOM 0 HB2 GLN P 27 -4.029 2.259 20.428 1.00 1.00 H new ATOM 0 HB3 GLN P 27 -3.216 3.041 19.087 1.00 1.00 H new ATOM 0 HG2 GLN P 27 -4.674 5.041 19.328 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -5.582 4.254 20.604 1.00 1.00 H new ATOM 0 HE21 GLN P 27 -4.578 6.533 21.524 1.00 1.00 H new ATOM 0 HE22 GLN P 27 -3.085 6.304 22.440 1.00 1.00 H new ATOM 451 N ASN P 28 -4.976 0.018 18.485 1.00 1.00 N ATOM 452 CA ASN P 28 -4.502 -1.201 17.846 1.00 2.31 C ATOM 453 C ASN P 28 -5.196 -1.386 16.500 1.00 1.00 C ATOM 454 O ASN P 28 -4.571 -1.770 15.514 1.00 1.00 O ATOM 455 CB ASN P 28 -4.765 -2.420 18.729 1.00 1.00 C ATOM 456 CG ASN P 28 -3.866 -2.387 19.963 1.00 1.00 C ATOM 457 OD1 ASN P 28 -4.037 -3.199 20.877 1.00 1.00 O ATOM 458 ND2 ASN P 28 -2.913 -1.496 20.052 1.00 1.00 N ATOM 0 H ASN P 28 -5.498 -0.117 19.351 1.00 1.00 H new ATOM 0 HA ASN P 28 -3.427 -1.109 17.694 1.00 2.31 H new ATOM 0 HB2 ASN P 28 -5.811 -2.437 19.034 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -4.583 -3.333 18.163 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -2.312 -1.473 20.876 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -2.771 -0.824 19.298 1.00 1.00 H new ATOM 465 N LEU P 29 -6.496 -1.103 16.468 1.00 1.00 N ATOM 466 CA LEU P 29 -7.264 -1.238 15.236 1.00 2.21 C ATOM 467 C LEU P 29 -6.798 -0.200 14.233 1.00 1.00 C ATOM 468 O LEU P 29 -6.677 -0.495 13.043 1.00 1.00 O ATOM 469 CB LEU P 29 -8.796 -1.095 15.483 1.00 1.00 C ATOM 470 CG LEU P 29 -9.444 -2.462 15.778 1.00 1.00 C ATOM 471 CD1 LEU P 29 -8.954 -3.044 17.109 1.00 1.00 C ATOM 472 CD2 LEU P 29 -10.967 -2.299 15.825 1.00 1.00 C ATOM 0 H LEU P 29 -7.034 -0.782 17.273 1.00 1.00 H new ATOM 0 HA LEU P 29 -7.092 -2.239 14.842 1.00 2.21 H new ATOM 0 HB2 LEU P 29 -8.970 -0.419 16.320 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -9.268 -0.647 14.608 1.00 1.00 H new ATOM 0 HG LEU P 29 -9.159 -3.151 14.983 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -9.433 -4.008 17.283 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -7.873 -3.177 17.072 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -9.208 -2.361 17.920 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -11.430 -3.264 16.033 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -11.233 -1.592 16.610 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -11.323 -1.926 14.865 1.00 1.00 H new ATOM 484 N GLN P 30 -6.524 1.017 14.698 1.00 1.00 N ATOM 485 CA GLN P 30 -6.067 2.047 13.792 1.00 2.36 C ATOM 486 C GLN P 30 -4.656 1.735 13.308 1.00 1.00 C ATOM 487 O GLN P 30 -4.276 2.080 12.187 1.00 1.00 O ATOM 488 CB GLN P 30 -6.089 3.412 14.479 1.00 1.00 C ATOM 489 CG GLN P 30 -7.536 3.850 14.705 1.00 1.00 C ATOM 490 CD GLN P 30 -7.562 5.207 15.399 1.00 1.00 C ATOM 491 OE1 GLN P 30 -6.511 5.814 15.620 1.00 1.00 O ATOM 492 NE2 GLN P 30 -8.704 5.721 15.756 1.00 1.00 N ATOM 0 H GLN P 30 -6.610 1.302 15.674 1.00 1.00 H new ATOM 0 HA GLN P 30 -6.740 2.074 12.935 1.00 2.36 H new ATOM 0 HB2 GLN P 30 -5.562 3.359 15.431 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -5.568 4.147 13.866 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -8.061 3.909 13.752 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -8.059 3.111 15.312 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -9.571 5.216 15.571 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -8.732 6.629 16.220 1.00 1.00 H new ATOM 501 N ASN P 31 -3.876 1.078 14.164 1.00 1.00 N ATOM 502 CA ASN P 31 -2.505 0.726 13.809 1.00 2.03 C ATOM 503 C ASN P 31 -2.514 -0.192 12.597 1.00 1.00 C ATOM 504 O ASN P 31 -1.704 -0.042 11.689 1.00 1.00 O ATOM 505 CB ASN P 31 -1.810 0.040 14.992 1.00 1.00 C ATOM 506 CG ASN P 31 -1.425 1.077 16.046 1.00 1.00 C ATOM 507 OD1 ASN P 31 -1.222 2.247 15.725 1.00 1.00 O ATOM 508 ND2 ASN P 31 -1.313 0.716 17.297 1.00 1.00 N ATOM 0 H ASN P 31 -4.166 0.782 15.096 1.00 1.00 H new ATOM 0 HA ASN P 31 -1.953 1.634 13.565 1.00 2.03 H new ATOM 0 HB2 ASN P 31 -2.472 -0.707 15.430 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -0.920 -0.486 14.646 1.00 1.00 H new ATOM 0 HD21 ASN P 31 -1.058 1.404 18.005 1.00 1.00 H new ATOM 0 HD22 ASN P 31 -1.481 -0.254 17.565 1.00 1.00 H new ATOM 515 N LEU P 32 -3.438 -1.136 12.595 1.00 1.00 N ATOM 516 CA LEU P 32 -3.552 -2.069 11.494 1.00 2.17 C ATOM 517 C LEU P 32 -3.879 -1.294 10.242 1.00 1.00 C ATOM 518 O LEU P 32 -3.322 -1.554 9.189 1.00 1.00 O ATOM 519 CB LEU P 32 -4.648 -3.104 11.771 1.00 1.00 C ATOM 520 CG LEU P 32 -4.219 -4.045 12.903 1.00 1.00 C ATOM 521 CD1 LEU P 32 -5.439 -4.841 13.371 1.00 1.00 C ATOM 522 CD2 LEU P 32 -3.120 -5.021 12.423 1.00 1.00 C ATOM 0 H LEU P 32 -4.118 -1.275 13.343 1.00 1.00 H new ATOM 0 HA LEU P 32 -2.610 -2.603 11.371 1.00 2.17 H new ATOM 0 HB2 LEU P 32 -5.575 -2.598 12.041 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -4.850 -3.680 10.868 1.00 1.00 H new ATOM 0 HG LEU P 32 -3.815 -3.451 13.723 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -5.147 -5.515 14.177 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -6.205 -4.154 13.732 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -5.836 -5.422 12.538 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -2.833 -5.678 13.244 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -3.501 -5.620 11.596 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -2.250 -4.454 12.090 1.00 1.00 H new ATOM 534 N PHE P 33 -4.779 -0.334 10.371 1.00 1.00 N ATOM 535 CA PHE P 33 -5.162 0.482 9.231 1.00 2.52 C ATOM 536 C PHE P 33 -3.943 1.247 8.722 1.00 1.00 C ATOM 537 O PHE P 33 -3.670 1.277 7.518 1.00 1.00 O ATOM 538 CB PHE P 33 -6.264 1.464 9.638 1.00 1.00 C ATOM 539 CG PHE P 33 -6.600 2.365 8.471 1.00 1.00 C ATOM 540 CD1 PHE P 33 -7.385 1.882 7.414 1.00 1.00 C ATOM 541 CD2 PHE P 33 -6.126 3.685 8.445 1.00 1.00 C ATOM 542 CE1 PHE P 33 -7.696 2.717 6.332 1.00 1.00 C ATOM 543 CE2 PHE P 33 -6.438 4.517 7.362 1.00 1.00 C ATOM 544 CZ PHE P 33 -7.220 4.035 6.309 1.00 1.00 C ATOM 0 H PHE P 33 -5.254 -0.102 11.243 1.00 1.00 H new ATOM 0 HA PHE P 33 -5.541 -0.162 8.437 1.00 2.52 H new ATOM 0 HB2 PHE P 33 -7.152 0.918 9.956 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -5.936 2.062 10.489 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -7.750 0.866 7.434 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -5.522 4.059 9.258 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -8.301 2.346 5.518 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -6.073 5.533 7.341 1.00 1.00 H new ATOM 0 HZ PHE P 33 -7.458 4.679 5.476 1.00 1.00 H new ATOM 554 N ILE P 34 -3.213 1.864 9.655 1.00 1.00 N ATOM 555 CA ILE P 34 -2.023 2.629 9.305 1.00 2.57 C ATOM 556 C ILE P 34 -0.948 1.711 8.722 1.00 1.00 C ATOM 557 O ILE P 34 -0.372 2.006 7.674 1.00 1.00 O ATOM 558 CB ILE P 34 -1.489 3.342 10.552 1.00 1.00 C ATOM 559 CG1 ILE P 34 -2.494 4.413 10.990 1.00 1.00 C ATOM 560 CG2 ILE P 34 -0.150 4.009 10.237 1.00 1.00 C ATOM 561 CD1 ILE P 34 -2.123 4.926 12.382 1.00 1.00 C ATOM 0 H ILE P 34 -3.427 1.847 10.652 1.00 1.00 H new ATOM 0 HA ILE P 34 -2.287 3.370 8.550 1.00 2.57 H new ATOM 0 HB ILE P 34 -1.349 2.613 11.350 1.00 1.00 H new ATOM 0 HG12 ILE P 34 -2.497 5.237 10.277 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -3.502 3.998 11.001 1.00 1.00 H new ATOM 0 HG21 ILE P 34 0.224 4.514 11.128 1.00 1.00 H new ATOM 0 HG22 ILE P 34 0.568 3.252 9.921 1.00 1.00 H new ATOM 0 HG23 ILE P 34 -0.285 4.737 9.437 1.00 1.00 H new ATOM 0 HD11 ILE P 34 -2.839 5.688 12.692 1.00 1.00 H new ATOM 0 HD12 ILE P 34 -2.143 4.099 13.092 1.00 1.00 H new ATOM 0 HD13 ILE P 34 -1.122 5.358 12.356 1.00 1.00 H new ATOM 573 N ASN P 35 -0.684 0.594 9.402 1.00 1.00 N ATOM 574 CA ASN P 35 0.315 -0.347 8.931 1.00 2.35 C ATOM 575 C ASN P 35 -0.160 -0.945 7.628 1.00 1.00 C ATOM 576 O ASN P 35 0.605 -1.118 6.682 1.00 1.00 O ATOM 577 CB ASN P 35 0.543 -1.461 9.954 1.00 1.00 C ATOM 578 CG ASN P 35 1.557 -2.468 9.418 1.00 1.00 C ATOM 579 OD1 ASN P 35 2.373 -2.133 8.560 1.00 1.00 O ATOM 580 ND2 ASN P 35 1.553 -3.691 9.877 1.00 1.00 N ATOM 0 H ASN P 35 -1.146 0.327 10.271 1.00 1.00 H new ATOM 0 HA ASN P 35 1.259 0.179 8.787 1.00 2.35 H new ATOM 0 HB2 ASN P 35 0.902 -1.036 10.891 1.00 1.00 H new ATOM 0 HB3 ASN P 35 -0.399 -1.963 10.172 1.00 1.00 H new ATOM 0 HD21 ASN P 35 2.227 -4.370 9.524 1.00 1.00 H new ATOM 0 HD22 ASN P 35 0.876 -3.967 10.588 1.00 1.00 H new ATOM 587 N PHE P 36 -1.444 -1.255 7.594 1.00 1.00 N ATOM 588 CA PHE P 36 -2.038 -1.836 6.402 1.00 2.13 C ATOM 589 C PHE P 36 -1.884 -0.889 5.221 1.00 1.00 C ATOM 590 O PHE P 36 -1.837 -1.320 4.064 1.00 1.00 O ATOM 591 CB PHE P 36 -3.526 -2.159 6.614 1.00 1.00 C ATOM 592 CG PHE P 36 -4.156 -2.605 5.303 1.00 1.00 C ATOM 593 CD1 PHE P 36 -3.808 -3.839 4.739 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.087 -1.781 4.656 1.00 1.00 C ATOM 595 CE1 PHE P 36 -4.389 -4.247 3.531 1.00 1.00 C ATOM 596 CE2 PHE P 36 -5.669 -2.189 3.449 1.00 1.00 C ATOM 597 CZ PHE P 36 -5.323 -3.419 2.888 1.00 1.00 C ATOM 0 H PHE P 36 -2.091 -1.116 8.370 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.513 -2.768 6.193 1.00 2.13 H new ATOM 0 HB2 PHE P 36 -3.633 -2.944 7.363 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -4.046 -1.281 6.996 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -3.091 -4.476 5.236 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.356 -0.829 5.089 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -4.119 -5.197 3.095 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.386 -1.552 2.952 1.00 1.00 H new ATOM 0 HZ PHE P 36 -5.774 -3.734 1.959 1.00 1.00 H new ATOM 607 N ALA P 37 -1.788 0.402 5.509 1.00 1.00 N ATOM 608 CA ALA P 37 -1.624 1.387 4.463 1.00 1.91 C ATOM 609 C ALA P 37 -0.187 1.357 3.958 1.00 1.00 C ATOM 610 O ALA P 37 0.075 1.566 2.774 1.00 1.00 O ATOM 611 CB ALA P 37 -1.957 2.779 5.001 1.00 1.00 C ATOM 0 H ALA P 37 -1.821 0.784 6.454 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.301 1.155 3.641 1.00 1.91 H new ATOM 0 HB1 ALA P 37 -1.831 3.516 4.207 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -2.989 2.796 5.352 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.289 3.019 5.828 1.00 1.00 H new ATOM 617 N LEU P 38 0.751 1.096 4.878 1.00 1.00 N ATOM 618 CA LEU P 38 2.164 1.043 4.523 1.00 2.25 C ATOM 619 C LEU P 38 2.418 -0.062 3.505 1.00 1.00 C ATOM 620 O LEU P 38 3.191 0.113 2.564 1.00 1.00 O ATOM 621 CB LEU P 38 3.030 0.789 5.762 1.00 1.00 C ATOM 622 CG LEU P 38 2.966 1.989 6.725 1.00 1.00 C ATOM 623 CD1 LEU P 38 3.738 1.642 8.005 1.00 1.00 C ATOM 624 CD2 LEU P 38 3.590 3.251 6.066 1.00 1.00 C ATOM 0 H LEU P 38 0.554 0.921 5.863 1.00 1.00 H new ATOM 0 HA LEU P 38 2.432 2.007 4.090 1.00 2.25 H new ATOM 0 HB2 LEU P 38 2.689 -0.112 6.272 1.00 1.00 H new ATOM 0 HB3 LEU P 38 4.063 0.613 5.460 1.00 1.00 H new ATOM 0 HG LEU P 38 1.924 2.202 6.962 1.00 1.00 H new ATOM 0 HD11 LEU P 38 3.699 2.486 8.694 1.00 1.00 H new ATOM 0 HD12 LEU P 38 3.288 0.768 8.476 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.777 1.425 7.756 1.00 1.00 H new ATOM 0 HD21 LEU P 38 3.536 4.089 6.761 1.00 1.00 H new ATOM 0 HD22 LEU P 38 4.632 3.053 5.816 1.00 1.00 H new ATOM 0 HD23 LEU P 38 3.040 3.497 5.158 1.00 1.00 H new ATOM 636 N ILE P 39 1.761 -1.193 3.696 1.00 1.00 N ATOM 637 CA ILE P 39 1.921 -2.313 2.781 1.00 2.62 C ATOM 638 C ILE P 39 1.387 -1.916 1.406 1.00 1.00 C ATOM 639 O ILE P 39 1.986 -2.223 0.377 1.00 1.00 O ATOM 640 CB ILE P 39 1.164 -3.543 3.301 1.00 1.00 C ATOM 641 CG1 ILE P 39 1.838 -4.051 4.581 1.00 1.00 C ATOM 642 CG2 ILE P 39 1.192 -4.655 2.243 1.00 1.00 C ATOM 643 CD1 ILE P 39 0.926 -5.069 5.271 1.00 1.00 C ATOM 0 H ILE P 39 1.117 -1.361 4.469 1.00 1.00 H new ATOM 0 HA ILE P 39 2.978 -2.566 2.706 1.00 2.62 H new ATOM 0 HB ILE P 39 0.131 -3.267 3.511 1.00 1.00 H new ATOM 0 HG12 ILE P 39 2.797 -4.510 4.342 1.00 1.00 H new ATOM 0 HG13 ILE P 39 2.043 -3.217 5.252 1.00 1.00 H new ATOM 0 HG21 ILE P 39 0.654 -5.526 2.616 1.00 1.00 H new ATOM 0 HG22 ILE P 39 0.717 -4.299 1.329 1.00 1.00 H new ATOM 0 HG23 ILE P 39 2.225 -4.930 2.032 1.00 1.00 H new ATOM 0 HD11 ILE P 39 1.406 -5.430 6.181 1.00 1.00 H new ATOM 0 HD12 ILE P 39 -0.022 -4.595 5.524 1.00 1.00 H new ATOM 0 HD13 ILE P 39 0.744 -5.908 4.600 1.00 1.00 H new ATOM 655 N LEU P 40 0.247 -1.228 1.411 1.00 1.00 N ATOM 656 CA LEU P 40 -0.364 -0.792 0.153 1.00 2.32 C ATOM 657 C LEU P 40 0.601 0.102 -0.650 1.00 1.00 C ATOM 658 O LEU P 40 0.918 -0.200 -1.800 1.00 1.00 O ATOM 659 CB LEU P 40 -1.675 -0.036 0.418 1.00 1.00 C ATOM 660 CG LEU P 40 -2.810 -1.014 0.779 1.00 1.00 C ATOM 661 CD1 LEU P 40 -4.041 -0.208 1.223 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.180 -1.908 -0.436 1.00 1.00 C ATOM 0 H LEU P 40 -0.265 -0.964 2.253 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.583 -1.684 -0.434 1.00 2.32 H new ATOM 0 HB2 LEU P 40 -1.531 0.676 1.230 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -1.953 0.540 -0.465 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.474 -1.663 1.588 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -4.850 -0.892 1.481 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -3.786 0.396 2.093 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -4.362 0.444 0.410 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -3.983 -2.589 -0.155 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -3.510 -1.279 -1.263 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -2.307 -2.484 -0.743 1.00 1.00 H new ATOM 674 N ILE P 41 1.051 1.198 -0.051 1.00 1.00 N ATOM 675 CA ILE P 41 1.954 2.103 -0.751 1.00 2.07 C ATOM 676 C ILE P 41 3.239 1.401 -1.199 1.00 1.00 C ATOM 677 O ILE P 41 3.691 1.615 -2.320 1.00 1.00 O ATOM 678 CB ILE P 41 2.267 3.310 0.124 1.00 1.00 C ATOM 679 CG1 ILE P 41 2.857 2.824 1.439 1.00 1.00 C ATOM 680 CG2 ILE P 41 0.979 4.099 0.403 1.00 1.00 C ATOM 681 CD1 ILE P 41 3.053 4.005 2.396 1.00 1.00 C ATOM 0 H ILE P 41 0.811 1.478 0.900 1.00 1.00 H new ATOM 0 HA ILE P 41 1.450 2.444 -1.655 1.00 2.07 H new ATOM 0 HB ILE P 41 2.978 3.959 -0.387 1.00 1.00 H new ATOM 0 HG12 ILE P 41 2.196 2.085 1.892 1.00 1.00 H new ATOM 0 HG13 ILE P 41 3.812 2.330 1.258 1.00 1.00 H new ATOM 0 HG21 ILE P 41 1.209 4.961 1.029 1.00 1.00 H new ATOM 0 HG22 ILE P 41 0.549 4.439 -0.539 1.00 1.00 H new ATOM 0 HG23 ILE P 41 0.263 3.457 0.917 1.00 1.00 H new ATOM 0 HD11 ILE P 41 3.476 3.647 3.335 1.00 1.00 H new ATOM 0 HD12 ILE P 41 3.731 4.730 1.946 1.00 1.00 H new ATOM 0 HD13 ILE P 41 2.091 4.480 2.589 1.00 1.00 H new ATOM 693 N PHE P 42 3.824 0.571 -0.344 1.00 1.00 N ATOM 694 CA PHE P 42 5.050 -0.121 -0.722 1.00 2.34 C ATOM 695 C PHE P 42 4.835 -0.878 -2.030 1.00 1.00 C ATOM 696 O PHE P 42 5.655 -0.812 -2.948 1.00 1.00 O ATOM 697 CB PHE P 42 5.450 -1.089 0.389 1.00 1.00 C ATOM 698 CG PHE P 42 6.653 -1.894 -0.045 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.913 -1.292 -0.096 1.00 1.00 C ATOM 700 CD2 PHE P 42 6.506 -3.244 -0.398 1.00 1.00 C ATOM 701 CE1 PHE P 42 9.030 -2.034 -0.498 1.00 1.00 C ATOM 702 CE2 PHE P 42 7.619 -3.986 -0.799 1.00 1.00 C ATOM 703 CZ PHE P 42 8.883 -3.381 -0.849 1.00 1.00 C ATOM 0 H PHE P 42 3.480 0.364 0.594 1.00 1.00 H new ATOM 0 HA PHE P 42 5.849 0.606 -0.866 1.00 2.34 H new ATOM 0 HB2 PHE P 42 5.679 -0.537 1.300 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.619 -1.755 0.621 1.00 1.00 H new ATOM 0 HD1 PHE P 42 8.025 -0.253 0.175 1.00 1.00 H new ATOM 0 HD2 PHE P 42 5.532 -3.709 -0.360 1.00 1.00 H new ATOM 0 HE1 PHE P 42 10.003 -1.568 -0.537 1.00 1.00 H new ATOM 0 HE2 PHE P 42 7.506 -5.025 -1.070 1.00 1.00 H new ATOM 0 HZ PHE P 42 9.744 -3.955 -1.159 1.00 1.00 H new ATOM 713 N LEU P 43 3.728 -1.590 -2.098 1.00 1.00 N ATOM 714 CA LEU P 43 3.387 -2.365 -3.285 1.00 2.47 C ATOM 715 C LEU P 43 3.203 -1.439 -4.483 1.00 1.00 C ATOM 716 O LEU P 43 3.612 -1.761 -5.597 1.00 1.00 O ATOM 717 CB LEU P 43 2.097 -3.150 -3.038 1.00 1.00 C ATOM 718 CG LEU P 43 2.339 -4.256 -1.995 1.00 1.00 C ATOM 719 CD1 LEU P 43 0.989 -4.829 -1.558 1.00 1.00 C ATOM 720 CD2 LEU P 43 3.220 -5.390 -2.582 1.00 1.00 C ATOM 0 H LEU P 43 3.043 -1.651 -1.344 1.00 1.00 H new ATOM 0 HA LEU P 43 4.199 -3.061 -3.496 1.00 2.47 H new ATOM 0 HB2 LEU P 43 1.314 -2.477 -2.690 1.00 1.00 H new ATOM 0 HB3 LEU P 43 1.746 -3.591 -3.971 1.00 1.00 H new ATOM 0 HG LEU P 43 2.862 -3.827 -1.140 1.00 1.00 H new ATOM 0 HD11 LEU P 43 1.149 -5.614 -0.819 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.382 -4.037 -1.120 1.00 1.00 H new ATOM 0 HD13 LEU P 43 0.473 -5.245 -2.423 1.00 1.00 H new ATOM 0 HD21 LEU P 43 3.376 -6.159 -1.825 1.00 1.00 H new ATOM 0 HD22 LEU P 43 2.721 -5.828 -3.446 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.183 -4.981 -2.888 1.00 1.00 H new ATOM 732 N LEU P 44 2.592 -0.282 -4.245 1.00 1.00 N ATOM 733 CA LEU P 44 2.367 0.688 -5.315 1.00 2.18 C ATOM 734 C LEU P 44 3.687 1.253 -5.821 1.00 1.00 C ATOM 735 O LEU P 44 3.850 1.485 -7.019 1.00 1.00 O ATOM 736 CB LEU P 44 1.465 1.828 -4.839 1.00 1.00 C ATOM 737 CG LEU P 44 0.039 1.307 -4.585 1.00 1.00 C ATOM 738 CD1 LEU P 44 -0.798 2.417 -3.938 1.00 1.00 C ATOM 739 CD2 LEU P 44 -0.623 0.849 -5.914 1.00 1.00 C ATOM 0 H LEU P 44 2.246 0.006 -3.330 1.00 1.00 H new ATOM 0 HA LEU P 44 1.870 0.167 -6.133 1.00 2.18 H new ATOM 0 HB2 LEU P 44 1.869 2.264 -3.925 1.00 1.00 H new ATOM 0 HB3 LEU P 44 1.443 2.620 -5.587 1.00 1.00 H new ATOM 0 HG LEU P 44 0.090 0.448 -3.916 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -1.809 2.052 -3.757 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -0.343 2.711 -2.992 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -0.838 3.278 -4.605 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -1.630 0.484 -5.712 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -0.674 1.691 -6.604 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -0.030 0.050 -6.359 1.00 1.00 H new ATOM 751 N LEU P 45 4.631 1.478 -4.913 1.00 1.00 N ATOM 752 CA LEU P 45 5.930 2.023 -5.308 1.00 2.24 C ATOM 753 C LEU P 45 6.647 1.059 -6.255 1.00 1.00 C ATOM 754 O LEU P 45 7.266 1.488 -7.227 1.00 1.00 O ATOM 755 CB LEU P 45 6.807 2.320 -4.058 1.00 1.00 C ATOM 756 CG LEU P 45 6.574 3.751 -3.527 1.00 1.00 C ATOM 757 CD1 LEU P 45 5.175 3.897 -2.924 1.00 1.00 C ATOM 758 CD2 LEU P 45 7.617 4.053 -2.448 1.00 1.00 C ATOM 0 H LEU P 45 4.527 1.296 -3.915 1.00 1.00 H new ATOM 0 HA LEU P 45 5.763 2.963 -5.834 1.00 2.24 H new ATOM 0 HB2 LEU P 45 6.579 1.599 -3.273 1.00 1.00 H new ATOM 0 HB3 LEU P 45 7.859 2.193 -4.312 1.00 1.00 H new ATOM 0 HG LEU P 45 6.664 4.450 -4.359 1.00 1.00 H new ATOM 0 HD11 LEU P 45 5.041 4.915 -2.559 1.00 1.00 H new ATOM 0 HD12 LEU P 45 4.426 3.683 -3.687 1.00 1.00 H new ATOM 0 HD13 LEU P 45 5.061 3.197 -2.097 1.00 1.00 H new ATOM 0 HD21 LEU P 45 7.463 5.062 -2.065 1.00 1.00 H new ATOM 0 HD22 LEU P 45 7.516 3.336 -1.633 1.00 1.00 H new ATOM 0 HD23 LEU P 45 8.616 3.977 -2.876 1.00 1.00 H new ATOM 770 N ILE P 46 6.551 -0.226 -5.974 1.00 1.00 N ATOM 771 CA ILE P 46 7.187 -1.224 -6.805 1.00 2.07 C ATOM 772 C ILE P 46 6.586 -1.160 -8.204 1.00 1.00 C ATOM 773 O ILE P 46 7.295 -1.235 -9.208 1.00 1.00 O ATOM 774 CB ILE P 46 6.967 -2.600 -6.179 1.00 1.00 C ATOM 775 CG1 ILE P 46 7.748 -2.690 -4.861 1.00 1.00 C ATOM 776 CG2 ILE P 46 7.461 -3.679 -7.130 1.00 1.00 C ATOM 777 CD1 ILE P 46 7.328 -3.949 -4.086 1.00 1.00 C ATOM 0 H ILE P 46 6.038 -0.601 -5.176 1.00 1.00 H new ATOM 0 HA ILE P 46 8.259 -1.039 -6.878 1.00 2.07 H new ATOM 0 HB ILE P 46 5.904 -2.744 -5.987 1.00 1.00 H new ATOM 0 HG12 ILE P 46 8.818 -2.718 -5.064 1.00 1.00 H new ATOM 0 HG13 ILE P 46 7.562 -1.802 -4.257 1.00 1.00 H new ATOM 0 HG21 ILE P 46 7.303 -4.660 -6.681 1.00 1.00 H new ATOM 0 HG22 ILE P 46 6.910 -3.617 -8.069 1.00 1.00 H new ATOM 0 HG23 ILE P 46 8.524 -3.535 -7.323 1.00 1.00 H new ATOM 0 HD11 ILE P 46 7.887 -4.005 -3.152 1.00 1.00 H new ATOM 0 HD12 ILE P 46 6.261 -3.903 -3.868 1.00 1.00 H new ATOM 0 HD13 ILE P 46 7.537 -4.833 -4.688 1.00 1.00 H new ATOM 789 N ALA P 47 5.270 -1.014 -8.244 1.00 1.00 N ATOM 790 CA ALA P 47 4.562 -0.932 -9.513 1.00 2.22 C ATOM 791 C ALA P 47 5.171 0.181 -10.364 1.00 1.00 C ATOM 792 O ALA P 47 5.435 -0.002 -11.552 1.00 1.00 O ATOM 793 CB ALA P 47 3.080 -0.640 -9.276 1.00 1.00 C ATOM 0 H ALA P 47 4.674 -0.950 -7.419 1.00 1.00 H new ATOM 0 HA ALA P 47 4.655 -1.886 -10.032 1.00 2.22 H new ATOM 0 HB1 ALA P 47 2.563 -0.581 -10.234 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.643 -1.438 -8.676 1.00 1.00 H new ATOM 0 HB3 ALA P 47 2.976 0.308 -8.749 1.00 1.00 H new ATOM 799 N ILE P 48 5.391 1.337 -9.741 1.00 1.00 N ATOM 800 CA ILE P 48 5.968 2.485 -10.431 1.00 2.64 C ATOM 801 C ILE P 48 7.396 2.187 -10.896 1.00 1.00 C ATOM 802 O ILE P 48 7.772 2.525 -12.017 1.00 1.00 O ATOM 803 CB ILE P 48 5.968 3.705 -9.497 1.00 1.00 C ATOM 804 CG1 ILE P 48 4.521 4.142 -9.240 1.00 1.00 C ATOM 805 CG2 ILE P 48 6.742 4.865 -10.135 1.00 1.00 C ATOM 806 CD1 ILE P 48 4.486 5.175 -8.110 1.00 1.00 C ATOM 0 H ILE P 48 5.177 1.502 -8.757 1.00 1.00 H new ATOM 0 HA ILE P 48 5.360 2.697 -11.311 1.00 2.64 H new ATOM 0 HB ILE P 48 6.450 3.434 -8.558 1.00 1.00 H new ATOM 0 HG12 ILE P 48 4.093 4.567 -10.148 1.00 1.00 H new ATOM 0 HG13 ILE P 48 3.912 3.278 -8.975 1.00 1.00 H new ATOM 0 HG21 ILE P 48 6.733 5.722 -9.462 1.00 1.00 H new ATOM 0 HG22 ILE P 48 7.772 4.558 -10.318 1.00 1.00 H new ATOM 0 HG23 ILE P 48 6.272 5.140 -11.079 1.00 1.00 H new ATOM 0 HD11 ILE P 48 3.456 5.483 -7.930 1.00 1.00 H new ATOM 0 HD12 ILE P 48 4.897 4.734 -7.201 1.00 1.00 H new ATOM 0 HD13 ILE P 48 5.080 6.044 -8.393 1.00 1.00 H new ATOM 818 N ILE P 49 8.192 1.560 -10.034 1.00 1.00 N ATOM 819 CA ILE P 49 9.574 1.236 -10.390 1.00 1.00 C ATOM 820 C ILE P 49 9.602 0.277 -11.571 1.00 1.00 C ATOM 821 O ILE P 49 10.387 0.443 -12.506 1.00 1.00 O ATOM 822 CB ILE P 49 10.298 0.598 -9.201 1.00 1.00 C ATOM 823 CG1 ILE P 49 10.462 1.623 -8.053 1.00 1.00 C ATOM 824 CG2 ILE P 49 11.677 0.072 -9.621 1.00 1.00 C ATOM 825 CD1 ILE P 49 11.280 2.858 -8.487 1.00 1.00 C ATOM 0 H ILE P 49 7.912 1.269 -9.097 1.00 1.00 H new ATOM 0 HA ILE P 49 10.082 2.161 -10.663 1.00 1.00 H new ATOM 0 HB ILE P 49 9.694 -0.239 -8.850 1.00 1.00 H new ATOM 0 HG12 ILE P 49 9.478 1.943 -7.711 1.00 1.00 H new ATOM 0 HG13 ILE P 49 10.953 1.143 -7.207 1.00 1.00 H new ATOM 0 HG21 ILE P 49 12.173 -0.377 -8.760 1.00 1.00 H new ATOM 0 HG22 ILE P 49 11.558 -0.678 -10.403 1.00 1.00 H new ATOM 0 HG23 ILE P 49 12.281 0.897 -9.999 1.00 1.00 H new ATOM 0 HD11 ILE P 49 11.368 3.549 -7.649 1.00 1.00 H new ATOM 0 HD12 ILE P 49 12.274 2.543 -8.804 1.00 1.00 H new ATOM 0 HD13 ILE P 49 10.776 3.356 -9.315 1.00 1.00 H new ATOM 837 N VAL P 50 8.740 -0.721 -11.524 1.00 1.00 N ATOM 838 CA VAL P 50 8.677 -1.694 -12.597 1.00 1.00 C ATOM 839 C VAL P 50 8.327 -0.969 -13.884 1.00 1.00 C ATOM 840 O VAL P 50 8.891 -1.241 -14.946 1.00 1.00 O ATOM 841 CB VAL P 50 7.617 -2.762 -12.298 1.00 1.00 C ATOM 842 CG1 VAL P 50 7.435 -3.671 -13.522 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.072 -3.608 -11.105 1.00 1.00 C ATOM 0 H VAL P 50 8.080 -0.878 -10.762 1.00 1.00 H new ATOM 0 HA VAL P 50 9.642 -2.191 -12.693 1.00 1.00 H new ATOM 0 HB VAL P 50 6.670 -2.274 -12.066 1.00 1.00 H new ATOM 0 HG11 VAL P 50 6.681 -4.428 -13.304 1.00 1.00 H new ATOM 0 HG12 VAL P 50 7.113 -3.073 -14.375 1.00 1.00 H new ATOM 0 HG13 VAL P 50 8.381 -4.159 -13.757 1.00 1.00 H new ATOM 0 HG21 VAL P 50 7.321 -4.368 -10.890 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.020 -4.092 -11.342 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.200 -2.967 -10.232 1.00 1.00 H new ATOM 853 N MET P 51 7.387 -0.037 -13.774 1.00 1.00 N ATOM 854 CA MET P 51 6.950 0.742 -14.916 1.00 1.00 C ATOM 855 C MET P 51 8.082 1.631 -15.425 1.00 1.00 C ATOM 856 O MET P 51 8.151 1.912 -16.618 1.00 1.00 O ATOM 857 CB MET P 51 5.743 1.610 -14.531 1.00 1.00 C ATOM 858 CG MET P 51 4.471 0.755 -14.463 1.00 1.00 C ATOM 859 SD MET P 51 4.020 0.188 -16.134 1.00 1.00 S ATOM 860 CE MET P 51 4.306 -1.590 -15.909 1.00 1.00 C ATOM 0 H MET P 51 6.914 0.195 -12.900 1.00 1.00 H new ATOM 0 HA MET P 51 6.660 0.054 -15.711 1.00 1.00 H new ATOM 0 HB2 MET P 51 5.921 2.085 -13.567 1.00 1.00 H new ATOM 0 HB3 MET P 51 5.614 2.409 -15.261 1.00 1.00 H new ATOM 0 HG2 MET P 51 4.632 -0.102 -13.809 1.00 1.00 H new ATOM 0 HG3 MET P 51 3.654 1.335 -14.033 1.00 1.00 H new ATOM 0 HE1 MET P 51 4.414 -2.067 -16.883 1.00 1.00 H new ATOM 0 HE2 MET P 51 5.216 -1.742 -15.328 1.00 1.00 H new ATOM 0 HE3 MET P 51 3.460 -2.031 -15.381 1.00 1.00 H new ATOM 870 N LEU P 52 8.970 2.083 -14.534 1.00 1.00 N ATOM 871 CA LEU P 52 10.064 2.942 -14.981 1.00 1.00 C ATOM 872 C LEU P 52 10.934 2.211 -15.993 1.00 1.00 C ATOM 873 O LEU P 52 11.382 2.807 -16.971 1.00 1.00 O ATOM 874 CB LEU P 52 10.922 3.442 -13.794 1.00 1.00 C ATOM 875 CG LEU P 52 10.237 4.628 -13.077 1.00 1.00 C ATOM 876 CD1 LEU P 52 11.053 5.001 -11.826 1.00 1.00 C ATOM 877 CD2 LEU P 52 10.138 5.864 -14.016 1.00 1.00 C ATOM 0 H LEU P 52 8.955 1.877 -13.535 1.00 1.00 H new ATOM 0 HA LEU P 52 9.622 3.816 -15.459 1.00 1.00 H new ATOM 0 HB2 LEU P 52 11.081 2.628 -13.087 1.00 1.00 H new ATOM 0 HB3 LEU P 52 11.904 3.748 -14.154 1.00 1.00 H new ATOM 0 HG LEU P 52 9.228 4.329 -12.794 1.00 1.00 H new ATOM 0 HD11 LEU P 52 10.575 5.837 -11.316 1.00 1.00 H new ATOM 0 HD12 LEU P 52 11.100 4.144 -11.154 1.00 1.00 H new ATOM 0 HD13 LEU P 52 12.063 5.286 -12.122 1.00 1.00 H new ATOM 0 HD21 LEU P 52 9.652 6.684 -13.488 1.00 1.00 H new ATOM 0 HD22 LEU P 52 11.139 6.171 -14.321 1.00 1.00 H new ATOM 0 HD23 LEU P 52 9.554 5.604 -14.899 1.00 1.00 H new ATOM 889 N LEU P 53 11.171 0.929 -15.763 1.00 1.00 N ATOM 890 CA LEU P 53 11.993 0.145 -16.673 1.00 1.00 C ATOM 891 C LEU P 53 11.259 -0.080 -17.991 1.00 1.00 C ATOM 892 O LEU P 53 11.477 0.693 -18.909 1.00 1.00 O ATOM 893 CB LEU P 53 12.334 -1.209 -16.036 1.00 1.00 C ATOM 894 CG LEU P 53 13.159 -1.010 -14.754 1.00 1.00 C ATOM 895 CD1 LEU P 53 13.312 -2.358 -14.040 1.00 1.00 C ATOM 896 CD2 LEU P 53 14.557 -0.438 -15.094 1.00 1.00 C ATOM 897 OXT LEU P 53 10.488 -1.024 -18.061 1.00 1.00 O ATOM 0 H LEU P 53 10.810 0.412 -14.961 1.00 1.00 H new ATOM 0 HA LEU P 53 12.914 0.694 -16.870 1.00 1.00 H new ATOM 0 HB2 LEU P 53 11.416 -1.750 -15.804 1.00 1.00 H new ATOM 0 HB3 LEU P 53 12.894 -1.820 -16.744 1.00 1.00 H new ATOM 0 HG LEU P 53 12.643 -0.303 -14.104 1.00 1.00 H new ATOM 0 HD11 LEU P 53 13.896 -2.223 -13.130 1.00 1.00 H new ATOM 0 HD12 LEU P 53 12.327 -2.748 -13.784 1.00 1.00 H new ATOM 0 HD13 LEU P 53 13.822 -3.062 -14.698 1.00 1.00 H new ATOM 0 HD21 LEU P 53 15.128 -0.303 -14.175 1.00 1.00 H new ATOM 0 HD22 LEU P 53 15.084 -1.131 -15.750 1.00 1.00 H new ATOM 0 HD23 LEU P 53 14.445 0.523 -15.596 1.00 1.00 H new TER 909 LEU P 53