USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 SER OG : rot 180:sc= -0.031 USER MOD Set 1.2: A 42 HIS : no HD1:sc= -0.0696 X(o=-0.1,f=-0.012) USER MOD Single : A 1 MET CE :methyl -137:sc= -0.179 (180deg=-1.24!) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.0822 (180deg=-0.32) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 121:sc= 0.28 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -10:sc= 0.384 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -77:sc= -0.0229 USER MOD Single : A 48 ASN : amide:sc=-0.00215 K(o=-0.0022,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 56.671 -27.219 21.410 1.00 1.00 N ATOM 2 CA MET A 1 55.979 -26.132 22.159 1.00 1.00 C ATOM 3 C MET A 1 54.495 -26.468 22.259 1.00 1.00 C ATOM 4 O MET A 1 54.104 -27.629 22.142 1.00 1.00 O ATOM 5 CB MET A 1 56.169 -24.805 21.409 1.00 1.00 C ATOM 6 CG MET A 1 57.646 -24.387 21.423 1.00 1.00 C ATOM 7 SD MET A 1 58.209 -24.138 23.128 1.00 1.00 S ATOM 8 CE MET A 1 57.168 -22.705 23.507 1.00 1.00 C ATOM 0 H1 MET A 1 57.576 -27.439 21.874 1.00 1.00 H new ATOM 0 H2 MET A 1 56.072 -28.069 21.400 1.00 1.00 H new ATOM 0 H3 MET A 1 56.849 -26.909 20.433 1.00 1.00 H new ATOM 0 HA MET A 1 56.396 -26.039 23.162 1.00 1.00 H new ATOM 0 HB2 MET A 1 55.824 -24.909 20.380 1.00 1.00 H new ATOM 0 HB3 MET A 1 55.561 -24.028 21.872 1.00 1.00 H new ATOM 0 HG2 MET A 1 58.253 -25.153 20.940 1.00 1.00 H new ATOM 0 HG3 MET A 1 57.777 -23.468 20.851 1.00 1.00 H new ATOM 0 HE1 MET A 1 57.755 -21.961 24.046 1.00 1.00 H new ATOM 0 HE2 MET A 1 56.795 -22.270 22.579 1.00 1.00 H new ATOM 0 HE3 MET A 1 56.326 -23.020 24.124 1.00 1.00 H new ATOM 20 N ALA A 2 53.675 -25.445 22.471 1.00 1.00 N ATOM 21 CA ALA A 2 52.235 -25.638 22.579 1.00 1.00 C ATOM 22 C ALA A 2 51.501 -24.424 22.016 1.00 1.00 C ATOM 23 O ALA A 2 52.022 -23.309 22.025 1.00 1.00 O ATOM 24 CB ALA A 2 51.839 -25.848 24.043 1.00 1.00 C ATOM 0 H ALA A 2 53.982 -24.477 22.571 1.00 1.00 H new ATOM 0 HA ALA A 2 51.957 -26.522 22.005 1.00 1.00 H new ATOM 0 HB1 ALA A 2 50.761 -25.991 24.111 1.00 1.00 H new ATOM 0 HB2 ALA A 2 52.348 -26.729 24.435 1.00 1.00 H new ATOM 0 HB3 ALA A 2 52.127 -24.974 24.627 1.00 1.00 H new ATOM 30 N GLU A 3 50.288 -24.646 21.527 1.00 1.00 N ATOM 31 CA GLU A 3 49.490 -23.565 20.963 1.00 1.00 C ATOM 32 C GLU A 3 49.213 -22.497 22.017 1.00 1.00 C ATOM 33 O GLU A 3 49.020 -22.803 23.193 1.00 1.00 O ATOM 34 CB GLU A 3 48.167 -24.122 20.431 1.00 1.00 C ATOM 35 CG GLU A 3 47.364 -23.001 19.770 1.00 1.00 C ATOM 36 CD GLU A 3 46.070 -23.554 19.180 1.00 1.00 C ATOM 37 OE1 GLU A 3 45.973 -24.762 19.039 1.00 1.00 O ATOM 38 OE2 GLU A 3 45.194 -22.760 18.881 1.00 1.00 O ATOM 0 H GLU A 3 49.837 -25.560 21.509 1.00 1.00 H new ATOM 0 HA GLU A 3 50.048 -23.110 20.145 1.00 1.00 H new ATOM 0 HB2 GLU A 3 48.360 -24.918 19.711 1.00 1.00 H new ATOM 0 HB3 GLU A 3 47.593 -24.562 21.246 1.00 1.00 H new ATOM 0 HG2 GLU A 3 47.136 -22.227 20.503 1.00 1.00 H new ATOM 0 HG3 GLU A 3 47.958 -22.532 18.986 1.00 1.00 H new ATOM 45 N ALA A 4 49.197 -21.239 21.584 1.00 1.00 N ATOM 46 CA ALA A 4 48.941 -20.127 22.493 1.00 1.00 C ATOM 47 C ALA A 4 50.201 -19.771 23.278 1.00 1.00 C ATOM 48 O ALA A 4 50.405 -18.614 23.649 1.00 1.00 O ATOM 49 CB ALA A 4 47.811 -20.488 23.463 1.00 1.00 C ATOM 0 H ALA A 4 49.357 -20.966 20.614 1.00 1.00 H new ATOM 0 HA ALA A 4 48.643 -19.262 21.900 1.00 1.00 H new ATOM 0 HB1 ALA A 4 47.628 -19.651 24.137 1.00 1.00 H new ATOM 0 HB2 ALA A 4 46.903 -20.705 22.900 1.00 1.00 H new ATOM 0 HB3 ALA A 4 48.096 -21.365 24.044 1.00 1.00 H new ATOM 55 N HIS A 5 51.043 -20.772 23.528 1.00 1.00 N ATOM 56 CA HIS A 5 52.279 -20.555 24.270 1.00 1.00 C ATOM 57 C HIS A 5 53.399 -20.096 23.339 1.00 1.00 C ATOM 58 O HIS A 5 54.451 -19.648 23.796 1.00 1.00 O ATOM 59 CB HIS A 5 52.690 -21.846 24.977 1.00 1.00 C ATOM 60 CG HIS A 5 51.718 -22.131 26.085 1.00 1.00 C ATOM 61 ND1 HIS A 5 51.772 -21.468 27.301 1.00 1.00 N ATOM 62 CD2 HIS A 5 50.660 -23.000 26.178 1.00 1.00 C ATOM 63 CE1 HIS A 5 50.775 -21.944 28.067 1.00 1.00 C ATOM 64 NE2 HIS A 5 50.066 -22.880 27.431 1.00 1.00 N ATOM 0 H HIS A 5 50.892 -21.735 23.229 1.00 1.00 H new ATOM 0 HA HIS A 5 52.105 -19.774 25.010 1.00 1.00 H new ATOM 0 HB2 HIS A 5 52.706 -22.674 24.268 1.00 1.00 H new ATOM 0 HB3 HIS A 5 53.699 -21.750 25.378 1.00 1.00 H new ATOM 0 HD2 HIS A 5 50.338 -23.674 25.398 1.00 1.00 H new ATOM 0 HE1 HIS A 5 50.572 -21.610 29.074 1.00 1.00 H new ATOM 0 HE2 HIS A 5 49.262 -23.396 27.787 1.00 1.00 H new ATOM 72 N GLN A 6 53.164 -20.209 22.035 1.00 1.00 N ATOM 73 CA GLN A 6 54.162 -19.799 21.053 1.00 1.00 C ATOM 74 C GLN A 6 54.413 -18.294 21.137 1.00 1.00 C ATOM 75 O GLN A 6 55.549 -17.840 21.014 1.00 1.00 O ATOM 76 CB GLN A 6 53.693 -20.157 19.642 1.00 1.00 C ATOM 77 CG GLN A 6 53.637 -21.675 19.495 1.00 1.00 C ATOM 78 CD GLN A 6 53.154 -22.044 18.097 1.00 1.00 C ATOM 79 OE1 GLN A 6 52.998 -21.174 17.242 1.00 1.00 O ATOM 80 NE2 GLN A 6 52.896 -23.292 17.818 1.00 1.00 N ATOM 0 H GLN A 6 52.300 -20.577 21.637 1.00 1.00 H new ATOM 0 HA GLN A 6 55.090 -20.327 21.271 1.00 1.00 H new ATOM 0 HB2 GLN A 6 52.710 -19.726 19.454 1.00 1.00 H new ATOM 0 HB3 GLN A 6 54.373 -19.734 18.903 1.00 1.00 H new ATOM 0 HG2 GLN A 6 54.624 -22.103 19.673 1.00 1.00 H new ATOM 0 HG3 GLN A 6 52.967 -22.097 20.244 1.00 1.00 H new ATOM 0 HE21 GLN A 6 53.026 -24.011 18.529 1.00 1.00 H new ATOM 0 HE22 GLN A 6 52.564 -23.549 16.888 1.00 1.00 H new ATOM 89 N ALA A 7 53.346 -17.524 21.345 1.00 1.00 N ATOM 90 CA ALA A 7 53.473 -16.072 21.443 1.00 1.00 C ATOM 91 C ALA A 7 52.425 -15.497 22.389 1.00 1.00 C ATOM 92 O ALA A 7 51.326 -16.038 22.513 1.00 1.00 O ATOM 93 CB ALA A 7 53.297 -15.438 20.066 1.00 1.00 C ATOM 0 H ALA A 7 52.394 -17.877 21.448 1.00 1.00 H new ATOM 0 HA ALA A 7 54.466 -15.847 21.832 1.00 1.00 H new ATOM 0 HB1 ALA A 7 53.393 -14.355 20.149 1.00 1.00 H new ATOM 0 HB2 ALA A 7 54.062 -15.820 19.389 1.00 1.00 H new ATOM 0 HB3 ALA A 7 52.310 -15.686 19.675 1.00 1.00 H new ATOM 99 N VAL A 8 52.776 -14.395 23.054 1.00 1.00 N ATOM 100 CA VAL A 8 51.860 -13.748 23.994 1.00 1.00 C ATOM 101 C VAL A 8 51.605 -12.292 23.600 1.00 1.00 C ATOM 102 O VAL A 8 52.538 -11.542 23.312 1.00 1.00 O ATOM 103 CB VAL A 8 52.438 -13.802 25.410 1.00 1.00 C ATOM 104 CG1 VAL A 8 52.557 -15.262 25.860 1.00 1.00 C ATOM 105 CG2 VAL A 8 53.823 -13.149 25.432 1.00 1.00 C ATOM 0 H VAL A 8 53.681 -13.935 22.960 1.00 1.00 H new ATOM 0 HA VAL A 8 50.912 -14.285 23.965 1.00 1.00 H new ATOM 0 HB VAL A 8 51.775 -13.263 26.087 1.00 1.00 H new ATOM 0 HG11 VAL A 8 52.969 -15.299 26.869 1.00 1.00 H new ATOM 0 HG12 VAL A 8 51.571 -15.726 25.853 1.00 1.00 H new ATOM 0 HG13 VAL A 8 53.216 -15.800 25.179 1.00 1.00 H new ATOM 0 HG21 VAL A 8 54.229 -13.191 26.443 1.00 1.00 H new ATOM 0 HG22 VAL A 8 54.487 -13.682 24.752 1.00 1.00 H new ATOM 0 HG23 VAL A 8 53.740 -12.109 25.117 1.00 1.00 H new ATOM 115 N GLY A 9 50.333 -11.901 23.595 1.00 1.00 N ATOM 116 CA GLY A 9 49.957 -10.534 23.242 1.00 1.00 C ATOM 117 C GLY A 9 49.783 -10.387 21.734 1.00 1.00 C ATOM 118 O GLY A 9 49.551 -9.289 21.228 1.00 1.00 O ATOM 0 H GLY A 9 49.548 -12.508 23.830 1.00 1.00 H new ATOM 0 HA2 GLY A 9 49.029 -10.267 23.747 1.00 1.00 H new ATOM 0 HA3 GLY A 9 50.721 -9.841 23.593 1.00 1.00 H new ATOM 122 N PHE A 10 49.897 -11.504 21.022 1.00 1.00 N ATOM 123 CA PHE A 10 49.752 -11.502 19.567 1.00 1.00 C ATOM 124 C PHE A 10 48.396 -12.062 19.154 1.00 1.00 C ATOM 125 O PHE A 10 48.150 -12.298 17.972 1.00 1.00 O ATOM 126 CB PHE A 10 50.853 -12.347 18.934 1.00 1.00 C ATOM 127 CG PHE A 10 52.190 -11.692 19.166 1.00 1.00 C ATOM 128 CD1 PHE A 10 52.652 -10.713 18.280 1.00 1.00 C ATOM 129 CD2 PHE A 10 52.969 -12.067 20.266 1.00 1.00 C ATOM 130 CE1 PHE A 10 53.896 -10.108 18.494 1.00 1.00 C ATOM 131 CE2 PHE A 10 54.212 -11.463 20.481 1.00 1.00 C ATOM 132 CZ PHE A 10 54.674 -10.483 19.595 1.00 1.00 C ATOM 0 H PHE A 10 50.089 -12.421 21.426 1.00 1.00 H new ATOM 0 HA PHE A 10 49.829 -10.471 19.222 1.00 1.00 H new ATOM 0 HB2 PHE A 10 50.848 -13.349 19.363 1.00 1.00 H new ATOM 0 HB3 PHE A 10 50.671 -12.457 17.865 1.00 1.00 H new ATOM 0 HD1 PHE A 10 52.049 -10.424 17.432 1.00 1.00 H new ATOM 0 HD2 PHE A 10 52.611 -12.823 20.949 1.00 1.00 H new ATOM 0 HE1 PHE A 10 54.255 -9.353 17.810 1.00 1.00 H new ATOM 0 HE2 PHE A 10 54.814 -11.752 21.329 1.00 1.00 H new ATOM 0 HZ PHE A 10 55.633 -10.015 19.761 1.00 1.00 H new ATOM 142 N ARG A 11 47.531 -12.285 20.134 1.00 1.00 N ATOM 143 CA ARG A 11 46.206 -12.831 19.862 1.00 1.00 C ATOM 144 C ARG A 11 45.140 -12.054 20.627 1.00 1.00 C ATOM 145 O ARG A 11 44.640 -12.516 21.653 1.00 1.00 O ATOM 146 CB ARG A 11 46.162 -14.298 20.281 1.00 1.00 C ATOM 147 CG ARG A 11 44.746 -14.838 20.084 1.00 1.00 C ATOM 148 CD ARG A 11 44.815 -16.306 19.671 1.00 1.00 C ATOM 149 NE ARG A 11 43.472 -16.863 19.590 1.00 1.00 N ATOM 150 CZ ARG A 11 43.272 -18.138 19.278 1.00 1.00 C ATOM 151 NH1 ARG A 11 44.287 -18.931 19.069 1.00 1.00 N ATOM 152 NH2 ARG A 11 42.054 -18.595 19.183 1.00 1.00 N ATOM 0 H ARG A 11 47.720 -12.098 21.119 1.00 1.00 H new ATOM 0 HA ARG A 11 46.006 -12.745 18.794 1.00 1.00 H new ATOM 0 HB2 ARG A 11 46.870 -14.878 19.690 1.00 1.00 H new ATOM 0 HB3 ARG A 11 46.460 -14.399 21.325 1.00 1.00 H new ATOM 0 HG2 ARG A 11 44.174 -14.735 21.006 1.00 1.00 H new ATOM 0 HG3 ARG A 11 44.227 -14.258 19.321 1.00 1.00 H new ATOM 0 HD2 ARG A 11 45.315 -16.398 18.707 1.00 1.00 H new ATOM 0 HD3 ARG A 11 45.408 -16.868 20.392 1.00 1.00 H new ATOM 0 HE ARG A 11 42.669 -16.262 19.777 1.00 1.00 H new ATOM 0 HH11 ARG A 11 45.239 -18.572 19.145 1.00 1.00 H new ATOM 0 HH12 ARG A 11 44.129 -19.910 18.830 1.00 1.00 H new ATOM 0 HH21 ARG A 11 41.262 -17.974 19.348 1.00 1.00 H new ATOM 0 HH22 ARG A 11 41.894 -19.573 18.944 1.00 1.00 H new ATOM 166 N PRO A 12 44.790 -10.890 20.151 1.00 1.00 N ATOM 167 CA PRO A 12 43.765 -10.026 20.808 1.00 1.00 C ATOM 168 C PRO A 12 42.397 -10.701 20.900 1.00 1.00 C ATOM 169 O PRO A 12 42.007 -11.470 20.021 1.00 1.00 O ATOM 170 CB PRO A 12 43.690 -8.778 19.916 1.00 1.00 C ATOM 171 CG PRO A 12 44.916 -8.804 19.061 1.00 1.00 C ATOM 172 CD PRO A 12 45.343 -10.264 18.943 1.00 1.00 C ATOM 0 HA PRO A 12 44.041 -9.803 21.839 1.00 1.00 H new ATOM 0 HB2 PRO A 12 42.788 -8.790 19.304 1.00 1.00 H new ATOM 0 HB3 PRO A 12 43.654 -7.870 20.518 1.00 1.00 H new ATOM 0 HG2 PRO A 12 44.710 -8.381 18.078 1.00 1.00 H new ATOM 0 HG3 PRO A 12 45.710 -8.204 19.506 1.00 1.00 H new ATOM 0 HD2 PRO A 12 44.948 -10.724 18.037 1.00 1.00 H new ATOM 0 HD3 PRO A 12 46.428 -10.361 18.903 1.00 1.00 H new ATOM 180 N SER A 13 41.678 -10.403 21.979 1.00 1.00 N ATOM 181 CA SER A 13 40.356 -10.977 22.191 1.00 1.00 C ATOM 182 C SER A 13 39.423 -10.580 21.052 1.00 1.00 C ATOM 183 O SER A 13 38.620 -11.387 20.586 1.00 1.00 O ATOM 184 CB SER A 13 39.785 -10.497 23.526 1.00 1.00 C ATOM 185 OG SER A 13 40.659 -10.898 24.578 1.00 1.00 O ATOM 0 H SER A 13 41.988 -9.770 22.716 1.00 1.00 H new ATOM 0 HA SER A 13 40.443 -12.063 22.213 1.00 1.00 H new ATOM 0 HB2 SER A 13 39.676 -9.412 23.520 1.00 1.00 H new ATOM 0 HB3 SER A 13 38.791 -10.916 23.682 1.00 1.00 H new ATOM 0 HG SER A 13 40.299 -10.592 25.437 1.00 1.00 H new ATOM 191 N LEU A 14 39.537 -9.329 20.612 1.00 1.00 N ATOM 192 CA LEU A 14 38.699 -8.829 19.527 1.00 1.00 C ATOM 193 C LEU A 14 39.489 -8.768 18.221 1.00 1.00 C ATOM 194 O LEU A 14 40.609 -8.258 18.183 1.00 1.00 O ATOM 195 CB LEU A 14 38.174 -7.430 19.869 1.00 1.00 C ATOM 196 CG LEU A 14 37.365 -7.476 21.170 1.00 1.00 C ATOM 197 CD1 LEU A 14 36.878 -6.067 21.527 1.00 1.00 C ATOM 198 CD2 LEU A 14 36.160 -8.406 20.999 1.00 1.00 C ATOM 0 H LEU A 14 40.197 -8.648 20.987 1.00 1.00 H new ATOM 0 HA LEU A 14 37.859 -9.513 19.402 1.00 1.00 H new ATOM 0 HB2 LEU A 14 39.008 -6.736 19.974 1.00 1.00 H new ATOM 0 HB3 LEU A 14 37.550 -7.058 19.056 1.00 1.00 H new ATOM 0 HG LEU A 14 38.000 -7.853 21.972 1.00 1.00 H new ATOM 0 HD11 LEU A 14 36.303 -6.104 22.452 1.00 1.00 H new ATOM 0 HD12 LEU A 14 37.736 -5.408 21.659 1.00 1.00 H new ATOM 0 HD13 LEU A 14 36.248 -5.685 20.724 1.00 1.00 H new ATOM 0 HD21 LEU A 14 35.588 -8.435 21.927 1.00 1.00 H new ATOM 0 HD22 LEU A 14 35.526 -8.036 20.193 1.00 1.00 H new ATOM 0 HD23 LEU A 14 36.507 -9.410 20.755 1.00 1.00 H new ATOM 210 N THR A 15 38.895 -9.293 17.156 1.00 1.00 N ATOM 211 CA THR A 15 39.543 -9.298 15.849 1.00 1.00 C ATOM 212 C THR A 15 39.765 -7.867 15.343 1.00 1.00 C ATOM 213 O THR A 15 40.837 -7.539 14.826 1.00 1.00 O ATOM 214 CB THR A 15 38.686 -10.078 14.844 1.00 1.00 C ATOM 215 OG1 THR A 15 38.547 -11.420 15.284 1.00 1.00 O ATOM 216 CG2 THR A 15 39.360 -10.071 13.474 1.00 1.00 C ATOM 0 H THR A 15 37.969 -9.720 17.171 1.00 1.00 H new ATOM 0 HA THR A 15 40.514 -9.782 15.950 1.00 1.00 H new ATOM 0 HB THR A 15 37.705 -9.608 14.770 1.00 1.00 H new ATOM 0 HG1 THR A 15 37.998 -11.919 14.644 1.00 1.00 H new ATOM 0 HG21 THR A 15 38.747 -10.626 12.764 1.00 1.00 H new ATOM 0 HG22 THR A 15 39.473 -9.043 13.129 1.00 1.00 H new ATOM 0 HG23 THR A 15 40.342 -10.539 13.549 1.00 1.00 H new ATOM 224 N SER A 16 38.738 -7.027 15.488 1.00 1.00 N ATOM 225 CA SER A 16 38.809 -5.635 15.036 1.00 1.00 C ATOM 226 C SER A 16 37.824 -4.761 15.815 1.00 1.00 C ATOM 227 O SER A 16 36.901 -5.267 16.453 1.00 1.00 O ATOM 228 CB SER A 16 38.484 -5.561 13.541 1.00 1.00 C ATOM 229 OG SER A 16 37.239 -6.206 13.300 1.00 1.00 O ATOM 0 H SER A 16 37.848 -7.286 15.914 1.00 1.00 H new ATOM 0 HA SER A 16 39.819 -5.266 15.213 1.00 1.00 H new ATOM 0 HB2 SER A 16 38.437 -4.521 13.218 1.00 1.00 H new ATOM 0 HB3 SER A 16 39.273 -6.039 12.961 1.00 1.00 H new ATOM 0 HG SER A 16 36.614 -5.569 12.895 1.00 1.00 H new ATOM 235 N ASP A 17 38.029 -3.450 15.754 1.00 1.00 N ATOM 236 CA ASP A 17 37.160 -2.509 16.448 1.00 1.00 C ATOM 237 C ASP A 17 35.748 -2.533 15.857 1.00 1.00 C ATOM 238 O ASP A 17 34.766 -2.298 16.563 1.00 1.00 O ATOM 239 CB ASP A 17 37.744 -1.100 16.346 1.00 1.00 C ATOM 240 CG ASP A 17 37.887 -0.705 14.883 1.00 1.00 C ATOM 241 OD1 ASP A 17 37.661 -1.556 14.037 1.00 1.00 O ATOM 242 OD2 ASP A 17 38.203 0.444 14.626 1.00 1.00 O ATOM 0 H ASP A 17 38.789 -3.016 15.231 1.00 1.00 H new ATOM 0 HA ASP A 17 37.097 -2.802 17.496 1.00 1.00 H new ATOM 0 HB2 ASP A 17 37.097 -0.390 16.862 1.00 1.00 H new ATOM 0 HB3 ASP A 17 38.716 -1.063 16.839 1.00 1.00 H new ATOM 247 N GLY A 18 35.654 -2.804 14.556 1.00 1.00 N ATOM 248 CA GLY A 18 34.358 -2.841 13.879 1.00 1.00 C ATOM 249 C GLY A 18 34.443 -3.612 12.558 1.00 1.00 C ATOM 250 O GLY A 18 35.531 -3.944 12.092 1.00 1.00 O ATOM 0 H GLY A 18 36.453 -3.000 13.953 1.00 1.00 H new ATOM 0 HA2 GLY A 18 33.619 -3.309 14.529 1.00 1.00 H new ATOM 0 HA3 GLY A 18 34.016 -1.824 13.688 1.00 1.00 H new ATOM 254 N ALA A 19 33.285 -3.883 11.962 1.00 1.00 N ATOM 255 CA ALA A 19 33.227 -4.610 10.692 1.00 1.00 C ATOM 256 C ALA A 19 33.923 -3.814 9.580 1.00 1.00 C ATOM 257 O ALA A 19 33.856 -2.587 9.558 1.00 1.00 O ATOM 258 CB ALA A 19 31.764 -4.849 10.309 1.00 1.00 C ATOM 0 H ALA A 19 32.375 -3.612 12.335 1.00 1.00 H new ATOM 0 HA ALA A 19 33.740 -5.564 10.812 1.00 1.00 H new ATOM 0 HB1 ALA A 19 31.719 -5.390 9.364 1.00 1.00 H new ATOM 0 HB2 ALA A 19 31.276 -5.436 11.087 1.00 1.00 H new ATOM 0 HB3 ALA A 19 31.254 -3.891 10.203 1.00 1.00 H new ATOM 264 N GLU A 20 34.598 -4.521 8.664 1.00 1.00 N ATOM 265 CA GLU A 20 35.309 -3.865 7.565 1.00 1.00 C ATOM 266 C GLU A 20 34.322 -3.158 6.630 1.00 1.00 C ATOM 267 O GLU A 20 34.598 -2.071 6.122 1.00 1.00 O ATOM 268 CB GLU A 20 36.125 -4.906 6.764 1.00 1.00 C ATOM 269 CG GLU A 20 37.246 -5.490 7.631 1.00 1.00 C ATOM 270 CD GLU A 20 36.717 -6.616 8.520 1.00 1.00 C ATOM 271 OE1 GLU A 20 35.512 -6.811 8.552 1.00 1.00 O ATOM 272 OE2 GLU A 20 37.527 -7.242 9.187 1.00 1.00 O ATOM 0 H GLU A 20 34.665 -5.539 8.664 1.00 1.00 H new ATOM 0 HA GLU A 20 35.986 -3.123 7.989 1.00 1.00 H new ATOM 0 HB2 GLU A 20 35.469 -5.706 6.421 1.00 1.00 H new ATOM 0 HB3 GLU A 20 36.550 -4.439 5.876 1.00 1.00 H new ATOM 0 HG2 GLU A 20 38.045 -5.869 6.993 1.00 1.00 H new ATOM 0 HG3 GLU A 20 37.679 -4.705 8.251 1.00 1.00 H new ATOM 279 N VAL A 21 33.173 -3.779 6.406 1.00 1.00 N ATOM 280 CA VAL A 21 32.161 -3.194 5.540 1.00 1.00 C ATOM 281 C VAL A 21 31.640 -1.884 6.121 1.00 1.00 C ATOM 282 O VAL A 21 31.488 -0.897 5.403 1.00 1.00 O ATOM 283 CB VAL A 21 31.002 -4.172 5.377 1.00 1.00 C ATOM 284 CG1 VAL A 21 29.846 -3.486 4.643 1.00 1.00 C ATOM 285 CG2 VAL A 21 31.485 -5.371 4.570 1.00 1.00 C ATOM 0 H VAL A 21 32.920 -4.681 6.809 1.00 1.00 H new ATOM 0 HA VAL A 21 32.614 -2.988 4.570 1.00 1.00 H new ATOM 0 HB VAL A 21 30.652 -4.500 6.356 1.00 1.00 H new ATOM 0 HG11 VAL A 21 29.020 -4.188 4.529 1.00 1.00 H new ATOM 0 HG12 VAL A 21 29.511 -2.623 5.218 1.00 1.00 H new ATOM 0 HG13 VAL A 21 30.183 -3.159 3.659 1.00 1.00 H new ATOM 0 HG21 VAL A 21 30.666 -6.079 4.445 1.00 1.00 H new ATOM 0 HG22 VAL A 21 31.828 -5.036 3.591 1.00 1.00 H new ATOM 0 HG23 VAL A 21 32.307 -5.856 5.096 1.00 1.00 H new ATOM 295 N GLU A 22 31.352 -1.887 7.420 1.00 1.00 N ATOM 296 CA GLU A 22 30.827 -0.694 8.080 1.00 1.00 C ATOM 297 C GLU A 22 31.858 0.438 8.104 1.00 1.00 C ATOM 298 O GLU A 22 31.501 1.607 7.965 1.00 1.00 O ATOM 299 CB GLU A 22 30.406 -1.012 9.515 1.00 1.00 C ATOM 300 CG GLU A 22 29.197 -1.953 9.503 1.00 1.00 C ATOM 301 CD GLU A 22 28.818 -2.348 10.928 1.00 1.00 C ATOM 302 OE1 GLU A 22 29.482 -1.898 11.846 1.00 1.00 O ATOM 303 OE2 GLU A 22 27.866 -3.096 11.077 1.00 1.00 O ATOM 0 H GLU A 22 31.472 -2.694 8.032 1.00 1.00 H new ATOM 0 HA GLU A 22 29.960 -0.367 7.505 1.00 1.00 H new ATOM 0 HB2 GLU A 22 31.234 -1.475 10.053 1.00 1.00 H new ATOM 0 HB3 GLU A 22 30.157 -0.092 10.043 1.00 1.00 H new ATOM 0 HG2 GLU A 22 28.352 -1.465 9.017 1.00 1.00 H new ATOM 0 HG3 GLU A 22 29.428 -2.845 8.920 1.00 1.00 H new ATOM 310 N LEU A 23 33.130 0.089 8.300 1.00 1.00 N ATOM 311 CA LEU A 23 34.192 1.098 8.356 1.00 1.00 C ATOM 312 C LEU A 23 35.031 1.068 7.085 1.00 1.00 C ATOM 313 O LEU A 23 35.515 0.015 6.675 1.00 1.00 O ATOM 314 CB LEU A 23 35.099 0.846 9.567 1.00 1.00 C ATOM 315 CG LEU A 23 34.280 0.913 10.861 1.00 1.00 C ATOM 316 CD1 LEU A 23 35.182 0.617 12.060 1.00 1.00 C ATOM 317 CD2 LEU A 23 33.676 2.309 11.030 1.00 1.00 C ATOM 0 H LEU A 23 33.449 -0.872 8.421 1.00 1.00 H new ATOM 0 HA LEU A 23 33.723 2.077 8.449 1.00 1.00 H new ATOM 0 HB2 LEU A 23 35.574 -0.131 9.478 1.00 1.00 H new ATOM 0 HB3 LEU A 23 35.897 1.588 9.594 1.00 1.00 H new ATOM 0 HG LEU A 23 33.481 0.174 10.806 1.00 1.00 H new ATOM 0 HD11 LEU A 23 34.595 0.666 12.977 1.00 1.00 H new ATOM 0 HD12 LEU A 23 35.610 -0.380 11.956 1.00 1.00 H new ATOM 0 HD13 LEU A 23 35.984 1.354 12.103 1.00 1.00 H new ATOM 0 HD21 LEU A 23 33.096 2.345 11.952 1.00 1.00 H new ATOM 0 HD22 LEU A 23 34.476 3.048 11.075 1.00 1.00 H new ATOM 0 HD23 LEU A 23 33.025 2.529 10.184 1.00 1.00 H new ATOM 329 N SER A 24 35.177 2.229 6.456 1.00 1.00 N ATOM 330 CA SER A 24 35.945 2.333 5.213 1.00 1.00 C ATOM 331 C SER A 24 37.399 1.858 5.379 1.00 1.00 C ATOM 332 O SER A 24 38.275 2.287 4.629 1.00 1.00 O ATOM 333 CB SER A 24 35.938 3.780 4.724 1.00 1.00 C ATOM 334 OG SER A 24 34.626 4.123 4.296 1.00 1.00 O ATOM 0 H SER A 24 34.777 3.109 6.781 1.00 1.00 H new ATOM 0 HA SER A 24 35.467 1.681 4.482 1.00 1.00 H new ATOM 0 HB2 SER A 24 36.259 4.448 5.523 1.00 1.00 H new ATOM 0 HB3 SER A 24 36.645 3.902 3.903 1.00 1.00 H new ATOM 0 HG SER A 24 34.616 5.052 3.983 1.00 1.00 H new ATOM 340 N ALA A 25 37.666 0.995 6.358 1.00 1.00 N ATOM 341 CA ALA A 25 39.028 0.514 6.586 1.00 1.00 C ATOM 342 C ALA A 25 39.688 0.006 5.300 1.00 1.00 C ATOM 343 O ALA A 25 40.834 0.354 5.016 1.00 1.00 O ATOM 344 CB ALA A 25 39.018 -0.609 7.627 1.00 1.00 C ATOM 0 H ALA A 25 36.967 0.618 6.999 1.00 1.00 H new ATOM 0 HA ALA A 25 39.611 1.360 6.949 1.00 1.00 H new ATOM 0 HB1 ALA A 25 40.036 -0.962 7.791 1.00 1.00 H new ATOM 0 HB2 ALA A 25 38.609 -0.232 8.564 1.00 1.00 H new ATOM 0 HB3 ALA A 25 38.402 -1.433 7.267 1.00 1.00 H new ATOM 350 N PRO A 26 39.019 -0.819 4.532 1.00 1.00 N ATOM 351 CA PRO A 26 39.605 -1.377 3.277 1.00 1.00 C ATOM 352 C PRO A 26 40.141 -0.282 2.354 1.00 1.00 C ATOM 353 O PRO A 26 41.224 -0.415 1.787 1.00 1.00 O ATOM 354 CB PRO A 26 38.440 -2.129 2.628 1.00 1.00 C ATOM 355 CG PRO A 26 37.502 -2.441 3.743 1.00 1.00 C ATOM 356 CD PRO A 26 37.653 -1.313 4.764 1.00 1.00 C ATOM 0 HA PRO A 26 40.464 -2.017 3.477 1.00 1.00 H new ATOM 0 HB2 PRO A 26 37.955 -1.520 1.865 1.00 1.00 H new ATOM 0 HB3 PRO A 26 38.784 -3.039 2.137 1.00 1.00 H new ATOM 0 HG2 PRO A 26 36.476 -2.502 3.381 1.00 1.00 H new ATOM 0 HG3 PRO A 26 37.740 -3.405 4.192 1.00 1.00 H new ATOM 0 HD2 PRO A 26 36.911 -0.529 4.609 1.00 1.00 H new ATOM 0 HD3 PRO A 26 37.525 -1.675 5.784 1.00 1.00 H new ATOM 364 N VAL A 27 39.400 0.816 2.244 1.00 1.00 N ATOM 365 CA VAL A 27 39.838 1.943 1.426 1.00 1.00 C ATOM 366 C VAL A 27 41.074 2.579 2.054 1.00 1.00 C ATOM 367 O VAL A 27 42.030 2.928 1.364 1.00 1.00 O ATOM 368 CB VAL A 27 38.721 2.980 1.326 1.00 1.00 C ATOM 369 CG1 VAL A 27 39.241 4.232 0.618 1.00 1.00 C ATOM 370 CG2 VAL A 27 37.559 2.395 0.525 1.00 1.00 C ATOM 0 H VAL A 27 38.501 0.950 2.706 1.00 1.00 H new ATOM 0 HA VAL A 27 40.082 1.586 0.426 1.00 1.00 H new ATOM 0 HB VAL A 27 38.383 3.244 2.328 1.00 1.00 H new ATOM 0 HG11 VAL A 27 38.441 4.969 0.549 1.00 1.00 H new ATOM 0 HG12 VAL A 27 40.073 4.651 1.184 1.00 1.00 H new ATOM 0 HG13 VAL A 27 39.580 3.969 -0.384 1.00 1.00 H new ATOM 0 HG21 VAL A 27 36.760 3.133 0.452 1.00 1.00 H new ATOM 0 HG22 VAL A 27 37.903 2.132 -0.475 1.00 1.00 H new ATOM 0 HG23 VAL A 27 37.184 1.503 1.026 1.00 1.00 H new ATOM 380 N LEU A 28 41.033 2.734 3.370 1.00 1.00 N ATOM 381 CA LEU A 28 42.151 3.340 4.083 1.00 1.00 C ATOM 382 C LEU A 28 43.411 2.491 3.933 1.00 1.00 C ATOM 383 O LEU A 28 44.504 3.024 3.739 1.00 1.00 O ATOM 384 CB LEU A 28 41.808 3.497 5.566 1.00 1.00 C ATOM 385 CG LEU A 28 40.723 4.571 5.740 1.00 1.00 C ATOM 386 CD1 LEU A 28 40.233 4.556 7.187 1.00 1.00 C ATOM 387 CD2 LEU A 28 41.282 5.963 5.407 1.00 1.00 C ATOM 0 H LEU A 28 40.250 2.453 3.960 1.00 1.00 H new ATOM 0 HA LEU A 28 42.338 4.323 3.651 1.00 1.00 H new ATOM 0 HB2 LEU A 28 41.460 2.547 5.970 1.00 1.00 H new ATOM 0 HB3 LEU A 28 42.700 3.774 6.127 1.00 1.00 H new ATOM 0 HG LEU A 28 39.899 4.354 5.061 1.00 1.00 H new ATOM 0 HD11 LEU A 28 39.463 5.316 7.318 1.00 1.00 H new ATOM 0 HD12 LEU A 28 39.819 3.575 7.421 1.00 1.00 H new ATOM 0 HD13 LEU A 28 41.068 4.766 7.856 1.00 1.00 H new ATOM 0 HD21 LEU A 28 40.499 6.710 5.536 1.00 1.00 H new ATOM 0 HD22 LEU A 28 42.114 6.190 6.074 1.00 1.00 H new ATOM 0 HD23 LEU A 28 41.631 5.978 4.374 1.00 1.00 H new ATOM 399 N GLN A 29 43.255 1.176 4.024 1.00 1.00 N ATOM 400 CA GLN A 29 44.399 0.276 3.901 1.00 1.00 C ATOM 401 C GLN A 29 45.033 0.378 2.515 1.00 1.00 C ATOM 402 O GLN A 29 46.258 0.376 2.391 1.00 1.00 O ATOM 403 CB GLN A 29 43.965 -1.171 4.164 1.00 1.00 C ATOM 404 CG GLN A 29 43.588 -1.331 5.643 1.00 1.00 C ATOM 405 CD GLN A 29 43.082 -2.745 5.921 1.00 1.00 C ATOM 406 OE1 GLN A 29 43.082 -3.594 5.029 1.00 1.00 O ATOM 407 NE2 GLN A 29 42.659 -3.053 7.119 1.00 1.00 N ATOM 0 H GLN A 29 42.360 0.712 4.180 1.00 1.00 H new ATOM 0 HA GLN A 29 45.140 0.573 4.643 1.00 1.00 H new ATOM 0 HB2 GLN A 29 43.115 -1.428 3.531 1.00 1.00 H new ATOM 0 HB3 GLN A 29 44.773 -1.857 3.907 1.00 1.00 H new ATOM 0 HG2 GLN A 29 44.455 -1.120 6.269 1.00 1.00 H new ATOM 0 HG3 GLN A 29 42.819 -0.605 5.908 1.00 1.00 H new ATOM 0 HE21 GLN A 29 42.660 -2.349 7.857 1.00 1.00 H new ATOM 0 HE22 GLN A 29 42.328 -3.998 7.316 1.00 1.00 H new ATOM 416 N GLU A 30 44.211 0.482 1.476 1.00 1.00 N ATOM 417 CA GLU A 30 44.744 0.596 0.121 1.00 1.00 C ATOM 418 C GLU A 30 45.487 1.916 -0.044 1.00 1.00 C ATOM 419 O GLU A 30 46.547 1.957 -0.671 1.00 1.00 O ATOM 420 CB GLU A 30 43.612 0.517 -0.902 1.00 1.00 C ATOM 421 CG GLU A 30 43.021 -0.893 -0.905 1.00 1.00 C ATOM 422 CD GLU A 30 41.834 -0.958 -1.861 1.00 1.00 C ATOM 423 OE1 GLU A 30 41.552 0.047 -2.491 1.00 1.00 O ATOM 424 OE2 GLU A 30 41.221 -2.010 -1.947 1.00 1.00 O ATOM 0 H GLU A 30 43.193 0.490 1.541 1.00 1.00 H new ATOM 0 HA GLU A 30 45.436 -0.229 -0.047 1.00 1.00 H new ATOM 0 HB2 GLU A 30 42.838 1.246 -0.660 1.00 1.00 H new ATOM 0 HB3 GLU A 30 43.987 0.767 -1.894 1.00 1.00 H new ATOM 0 HG2 GLU A 30 43.781 -1.614 -1.206 1.00 1.00 H new ATOM 0 HG3 GLU A 30 42.703 -1.165 0.101 1.00 1.00 H new ATOM 431 N ILE A 31 44.953 2.985 0.533 1.00 1.00 N ATOM 432 CA ILE A 31 45.610 4.285 0.454 1.00 1.00 C ATOM 433 C ILE A 31 46.954 4.234 1.178 1.00 1.00 C ATOM 434 O ILE A 31 47.958 4.741 0.679 1.00 1.00 O ATOM 435 CB ILE A 31 44.730 5.362 1.089 1.00 1.00 C ATOM 436 CG1 ILE A 31 43.474 5.576 0.236 1.00 1.00 C ATOM 437 CG2 ILE A 31 45.517 6.671 1.187 1.00 1.00 C ATOM 438 CD1 ILE A 31 42.474 6.447 1.006 1.00 1.00 C ATOM 0 H ILE A 31 44.077 2.980 1.055 1.00 1.00 H new ATOM 0 HA ILE A 31 45.773 4.530 -0.596 1.00 1.00 H new ATOM 0 HB ILE A 31 44.432 5.042 2.088 1.00 1.00 H new ATOM 0 HG12 ILE A 31 43.739 6.055 -0.707 1.00 1.00 H new ATOM 0 HG13 ILE A 31 43.021 4.616 -0.011 1.00 1.00 H new ATOM 0 HG21 ILE A 31 44.890 7.439 1.640 1.00 1.00 H new ATOM 0 HG22 ILE A 31 46.404 6.517 1.802 1.00 1.00 H new ATOM 0 HG23 ILE A 31 45.818 6.990 0.189 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.581 6.599 0.399 1.00 1.00 H new ATOM 0 HD12 ILE A 31 42.200 5.950 1.937 1.00 1.00 H new ATOM 0 HD13 ILE A 31 42.929 7.412 1.230 1.00 1.00 H new ATOM 450 N TYR A 32 46.962 3.628 2.362 1.00 1.00 N ATOM 451 CA TYR A 32 48.193 3.520 3.143 1.00 1.00 C ATOM 452 C TYR A 32 49.252 2.734 2.383 1.00 1.00 C ATOM 453 O TYR A 32 50.404 3.158 2.299 1.00 1.00 O ATOM 454 CB TYR A 32 47.906 2.817 4.468 1.00 1.00 C ATOM 455 CG TYR A 32 49.201 2.625 5.219 1.00 1.00 C ATOM 456 CD1 TYR A 32 49.792 3.699 5.897 1.00 1.00 C ATOM 457 CD2 TYR A 32 49.815 1.367 5.230 1.00 1.00 C ATOM 458 CE1 TYR A 32 50.999 3.512 6.585 1.00 1.00 C ATOM 459 CE2 TYR A 32 51.019 1.179 5.918 1.00 1.00 C ATOM 460 CZ TYR A 32 51.613 2.250 6.597 1.00 1.00 C ATOM 461 OH TYR A 32 52.800 2.063 7.276 1.00 1.00 O ATOM 0 H TYR A 32 46.141 3.208 2.799 1.00 1.00 H new ATOM 0 HA TYR A 32 48.566 4.527 3.328 1.00 1.00 H new ATOM 0 HB2 TYR A 32 47.211 3.408 5.064 1.00 1.00 H new ATOM 0 HB3 TYR A 32 47.431 1.853 4.286 1.00 1.00 H new ATOM 0 HD1 TYR A 32 49.318 4.670 5.890 1.00 1.00 H new ATOM 0 HD2 TYR A 32 49.359 0.540 4.706 1.00 1.00 H new ATOM 0 HE1 TYR A 32 51.457 4.340 7.106 1.00 1.00 H new ATOM 0 HE2 TYR A 32 51.490 0.207 5.925 1.00 1.00 H new ATOM 0 HH TYR A 32 53.087 1.130 7.183 1.00 1.00 H new ATOM 471 N LEU A 33 48.860 1.588 1.840 1.00 1.00 N ATOM 472 CA LEU A 33 49.794 0.746 1.096 1.00 1.00 C ATOM 473 C LEU A 33 50.308 1.468 -0.141 1.00 1.00 C ATOM 474 O LEU A 33 51.494 1.399 -0.466 1.00 1.00 O ATOM 475 CB LEU A 33 49.106 -0.551 0.661 1.00 1.00 C ATOM 476 CG LEU A 33 48.801 -1.419 1.889 1.00 1.00 C ATOM 477 CD1 LEU A 33 47.903 -2.589 1.482 1.00 1.00 C ATOM 478 CD2 LEU A 33 50.097 -1.969 2.500 1.00 1.00 C ATOM 0 H LEU A 33 47.910 1.221 1.899 1.00 1.00 H new ATOM 0 HA LEU A 33 50.633 0.518 1.753 1.00 1.00 H new ATOM 0 HB2 LEU A 33 48.183 -0.322 0.129 1.00 1.00 H new ATOM 0 HB3 LEU A 33 49.746 -1.098 -0.031 1.00 1.00 H new ATOM 0 HG LEU A 33 48.295 -0.801 2.630 1.00 1.00 H new ATOM 0 HD11 LEU A 33 47.688 -3.204 2.356 1.00 1.00 H new ATOM 0 HD12 LEU A 33 46.970 -2.205 1.070 1.00 1.00 H new ATOM 0 HD13 LEU A 33 48.411 -3.193 0.730 1.00 1.00 H new ATOM 0 HD21 LEU A 33 49.858 -2.582 3.369 1.00 1.00 H new ATOM 0 HD22 LEU A 33 50.619 -2.576 1.760 1.00 1.00 H new ATOM 0 HD23 LEU A 33 50.736 -1.140 2.805 1.00 1.00 H new ATOM 490 N SER A 34 49.402 2.154 -0.832 1.00 1.00 N ATOM 491 CA SER A 34 49.774 2.880 -2.041 1.00 1.00 C ATOM 492 C SER A 34 50.664 4.073 -1.716 1.00 1.00 C ATOM 493 O SER A 34 51.598 4.379 -2.457 1.00 1.00 O ATOM 494 CB SER A 34 48.520 3.355 -2.774 1.00 1.00 C ATOM 495 OG SER A 34 47.755 4.184 -1.910 1.00 1.00 O ATOM 0 H SER A 34 48.416 2.222 -0.579 1.00 1.00 H new ATOM 0 HA SER A 34 50.334 2.200 -2.683 1.00 1.00 H new ATOM 0 HB2 SER A 34 48.797 3.905 -3.673 1.00 1.00 H new ATOM 0 HB3 SER A 34 47.926 2.499 -3.095 1.00 1.00 H new ATOM 0 HG SER A 34 48.118 4.132 -1.001 1.00 1.00 H new ATOM 501 N GLY A 35 50.378 4.742 -0.606 1.00 1.00 N ATOM 502 CA GLY A 35 51.170 5.894 -0.206 1.00 1.00 C ATOM 503 C GLY A 35 52.587 5.489 0.192 1.00 1.00 C ATOM 504 O GLY A 35 53.548 6.166 -0.162 1.00 1.00 O ATOM 0 H GLY A 35 49.612 4.509 0.026 1.00 1.00 H new ATOM 0 HA2 GLY A 35 51.212 6.610 -1.027 1.00 1.00 H new ATOM 0 HA3 GLY A 35 50.686 6.397 0.631 1.00 1.00 H new ATOM 508 N LEU A 36 52.728 4.392 0.925 1.00 1.00 N ATOM 509 CA LEU A 36 54.048 3.945 1.358 1.00 1.00 C ATOM 510 C LEU A 36 54.930 3.632 0.151 1.00 1.00 C ATOM 511 O LEU A 36 56.109 3.991 0.134 1.00 1.00 O ATOM 512 CB LEU A 36 53.907 2.702 2.253 1.00 1.00 C ATOM 513 CG LEU A 36 55.286 2.188 2.697 1.00 1.00 C ATOM 514 CD1 LEU A 36 56.040 3.294 3.440 1.00 1.00 C ATOM 515 CD2 LEU A 36 55.098 0.989 3.632 1.00 1.00 C ATOM 0 H LEU A 36 51.955 3.800 1.230 1.00 1.00 H new ATOM 0 HA LEU A 36 54.521 4.744 1.929 1.00 1.00 H new ATOM 0 HB2 LEU A 36 53.306 2.946 3.129 1.00 1.00 H new ATOM 0 HB3 LEU A 36 53.379 1.917 1.712 1.00 1.00 H new ATOM 0 HG LEU A 36 55.860 1.890 1.819 1.00 1.00 H new ATOM 0 HD11 LEU A 36 57.016 2.923 3.752 1.00 1.00 H new ATOM 0 HD12 LEU A 36 56.172 4.151 2.780 1.00 1.00 H new ATOM 0 HD13 LEU A 36 55.470 3.597 4.318 1.00 1.00 H new ATOM 0 HD21 LEU A 36 56.073 0.620 3.951 1.00 1.00 H new ATOM 0 HD22 LEU A 36 54.523 1.296 4.506 1.00 1.00 H new ATOM 0 HD23 LEU A 36 54.564 0.197 3.106 1.00 1.00 H new ATOM 527 N ARG A 37 54.369 2.977 -0.860 1.00 1.00 N ATOM 528 CA ARG A 37 55.148 2.647 -2.048 1.00 1.00 C ATOM 529 C ARG A 37 55.595 3.917 -2.775 1.00 1.00 C ATOM 530 O ARG A 37 56.738 4.027 -3.217 1.00 1.00 O ATOM 531 CB ARG A 37 54.305 1.783 -2.990 1.00 1.00 C ATOM 532 CG ARG A 37 54.132 0.396 -2.370 1.00 1.00 C ATOM 533 CD ARG A 37 53.237 -0.456 -3.266 1.00 1.00 C ATOM 534 NE ARG A 37 51.879 0.069 -3.252 1.00 1.00 N ATOM 535 CZ ARG A 37 50.934 -0.479 -3.998 1.00 1.00 C ATOM 536 NH1 ARG A 37 51.226 -1.493 -4.762 1.00 1.00 N ATOM 537 NH2 ARG A 37 49.719 -0.011 -3.964 1.00 1.00 N ATOM 0 H ARG A 37 53.397 2.669 -0.882 1.00 1.00 H new ATOM 0 HA ARG A 37 56.036 2.096 -1.739 1.00 1.00 H new ATOM 0 HB2 ARG A 37 53.332 2.246 -3.156 1.00 1.00 H new ATOM 0 HB3 ARG A 37 54.790 1.703 -3.963 1.00 1.00 H new ATOM 0 HG2 ARG A 37 55.104 -0.083 -2.248 1.00 1.00 H new ATOM 0 HG3 ARG A 37 53.692 0.483 -1.376 1.00 1.00 H new ATOM 0 HD2 ARG A 37 53.625 -0.459 -4.285 1.00 1.00 H new ATOM 0 HD3 ARG A 37 53.240 -1.490 -2.921 1.00 1.00 H new ATOM 0 HE ARG A 37 51.654 0.869 -2.660 1.00 1.00 H new ATOM 0 HH11 ARG A 37 52.178 -1.859 -4.782 1.00 1.00 H new ATOM 0 HH12 ARG A 37 50.503 -1.921 -5.340 1.00 1.00 H new ATOM 0 HH21 ARG A 37 49.494 0.780 -3.361 1.00 1.00 H new ATOM 0 HH22 ARG A 37 48.993 -0.436 -4.540 1.00 1.00 H new ATOM 551 N SER A 38 54.686 4.882 -2.871 1.00 1.00 N ATOM 552 CA SER A 38 54.979 6.162 -3.514 1.00 1.00 C ATOM 553 C SER A 38 55.891 7.034 -2.653 1.00 1.00 C ATOM 554 O SER A 38 56.731 7.774 -3.166 1.00 1.00 O ATOM 555 CB SER A 38 53.679 6.916 -3.774 1.00 1.00 C ATOM 556 OG SER A 38 53.972 8.134 -4.444 1.00 1.00 O ATOM 0 H SER A 38 53.735 4.803 -2.510 1.00 1.00 H new ATOM 0 HA SER A 38 55.492 5.948 -4.452 1.00 1.00 H new ATOM 0 HB2 SER A 38 53.006 6.307 -4.378 1.00 1.00 H new ATOM 0 HB3 SER A 38 53.167 7.118 -2.833 1.00 1.00 H new ATOM 0 HG SER A 38 53.139 8.622 -4.615 1.00 1.00 H new ATOM 562 N TRP A 39 55.692 6.970 -1.345 1.00 1.00 N ATOM 563 CA TRP A 39 56.468 7.790 -0.425 1.00 1.00 C ATOM 564 C TRP A 39 57.970 7.520 -0.512 1.00 1.00 C ATOM 565 O TRP A 39 58.760 8.451 -0.399 1.00 1.00 O ATOM 566 CB TRP A 39 55.998 7.550 1.011 1.00 1.00 C ATOM 567 CG TRP A 39 54.634 8.145 1.236 1.00 1.00 C ATOM 568 CD1 TRP A 39 53.831 8.701 0.286 1.00 1.00 C ATOM 569 CD2 TRP A 39 53.912 8.271 2.497 1.00 1.00 C ATOM 570 NE1 TRP A 39 52.670 9.149 0.890 1.00 1.00 N ATOM 571 CE2 TRP A 39 52.674 8.910 2.250 1.00 1.00 C ATOM 572 CE3 TRP A 39 54.210 7.894 3.821 1.00 1.00 C ATOM 573 CZ2 TRP A 39 51.764 9.166 3.278 1.00 1.00 C ATOM 574 CZ3 TRP A 39 53.297 8.152 4.857 1.00 1.00 C ATOM 575 CH2 TRP A 39 52.077 8.789 4.586 1.00 1.00 C ATOM 0 H TRP A 39 55.005 6.363 -0.898 1.00 1.00 H new ATOM 0 HA TRP A 39 56.303 8.828 -0.714 1.00 1.00 H new ATOM 0 HB2 TRP A 39 55.970 6.480 1.215 1.00 1.00 H new ATOM 0 HB3 TRP A 39 56.710 7.989 1.709 1.00 1.00 H new ATOM 0 HD1 TRP A 39 54.063 8.779 -0.766 1.00 1.00 H new ATOM 0 HE1 TRP A 39 51.904 9.601 0.391 1.00 1.00 H new ATOM 0 HE3 TRP A 39 55.147 7.403 4.041 1.00 1.00 H new ATOM 0 HZ2 TRP A 39 50.824 9.652 3.063 1.00 1.00 H new ATOM 0 HZ3 TRP A 39 53.536 7.858 5.868 1.00 1.00 H new ATOM 0 HH2 TRP A 39 51.381 8.988 5.387 1.00 1.00 H new ATOM 586 N LYS A 40 58.383 6.272 -0.700 1.00 1.00 N ATOM 587 CA LYS A 40 59.817 5.988 -0.763 1.00 1.00 C ATOM 588 C LYS A 40 60.464 6.762 -1.912 1.00 1.00 C ATOM 589 O LYS A 40 61.541 7.336 -1.755 1.00 1.00 O ATOM 590 CB LYS A 40 60.050 4.490 -0.970 1.00 1.00 C ATOM 591 CG LYS A 40 61.549 4.195 -0.879 1.00 1.00 C ATOM 592 CD LYS A 40 61.792 2.690 -1.027 1.00 1.00 C ATOM 593 CE LYS A 40 63.292 2.401 -0.918 1.00 1.00 C ATOM 594 NZ LYS A 40 63.534 0.936 -1.056 1.00 1.00 N ATOM 0 H LYS A 40 57.771 5.463 -0.809 1.00 1.00 H new ATOM 0 HA LYS A 40 60.269 6.299 0.179 1.00 1.00 H new ATOM 0 HB2 LYS A 40 59.509 3.918 -0.216 1.00 1.00 H new ATOM 0 HB3 LYS A 40 59.665 4.181 -1.942 1.00 1.00 H new ATOM 0 HG2 LYS A 40 62.084 4.737 -1.659 1.00 1.00 H new ATOM 0 HG3 LYS A 40 61.940 4.543 0.077 1.00 1.00 H new ATOM 0 HD2 LYS A 40 61.249 2.146 -0.254 1.00 1.00 H new ATOM 0 HD3 LYS A 40 61.413 2.343 -1.988 1.00 1.00 H new ATOM 0 HE2 LYS A 40 63.834 2.943 -1.693 1.00 1.00 H new ATOM 0 HE3 LYS A 40 63.671 2.753 0.041 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 64.553 0.744 -0.981 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 63.030 0.428 -0.301 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 63.188 0.613 -1.982 1.00 1.00 H new ATOM 608 N ARG A 41 59.813 6.763 -3.065 1.00 1.00 N ATOM 609 CA ARG A 41 60.360 7.459 -4.226 1.00 1.00 C ATOM 610 C ARG A 41 60.450 8.973 -4.010 1.00 1.00 C ATOM 611 O ARG A 41 61.431 9.613 -4.392 1.00 1.00 O ATOM 612 CB ARG A 41 59.474 7.177 -5.437 1.00 1.00 C ATOM 613 CG ARG A 41 59.661 5.718 -5.863 1.00 1.00 C ATOM 614 CD ARG A 41 58.759 5.413 -7.059 1.00 1.00 C ATOM 615 NE ARG A 41 58.905 4.013 -7.468 1.00 1.00 N ATOM 616 CZ ARG A 41 59.814 3.636 -8.371 1.00 1.00 C ATOM 617 NH1 ARG A 41 60.599 4.522 -8.922 1.00 1.00 N ATOM 618 NH2 ARG A 41 59.914 2.376 -8.714 1.00 1.00 N ATOM 0 H ARG A 41 58.919 6.298 -3.224 1.00 1.00 H new ATOM 0 HA ARG A 41 61.373 7.090 -4.388 1.00 1.00 H new ATOM 0 HB2 ARG A 41 58.429 7.366 -5.191 1.00 1.00 H new ATOM 0 HB3 ARG A 41 59.735 7.845 -6.258 1.00 1.00 H new ATOM 0 HG2 ARG A 41 60.703 5.536 -6.125 1.00 1.00 H new ATOM 0 HG3 ARG A 41 59.420 5.053 -5.034 1.00 1.00 H new ATOM 0 HD2 ARG A 41 57.720 5.616 -6.799 1.00 1.00 H new ATOM 0 HD3 ARG A 41 59.014 6.070 -7.891 1.00 1.00 H new ATOM 0 HE ARG A 41 58.296 3.308 -7.052 1.00 1.00 H new ATOM 0 HH11 ARG A 41 60.519 5.505 -8.663 1.00 1.00 H new ATOM 0 HH12 ARG A 41 61.292 4.231 -9.611 1.00 1.00 H new ATOM 0 HH21 ARG A 41 59.297 1.682 -8.291 1.00 1.00 H new ATOM 0 HH22 ARG A 41 60.608 2.089 -9.404 1.00 1.00 H new ATOM 632 N HIS A 42 59.419 9.523 -3.375 1.00 1.00 N ATOM 633 CA HIS A 42 59.359 10.956 -3.077 1.00 1.00 C ATOM 634 C HIS A 42 60.155 11.310 -1.810 1.00 1.00 C ATOM 635 O HIS A 42 60.699 12.407 -1.685 1.00 1.00 O ATOM 636 CB HIS A 42 57.899 11.395 -2.910 1.00 1.00 C ATOM 637 CG HIS A 42 57.160 11.230 -4.215 1.00 1.00 C ATOM 638 ND1 HIS A 42 57.468 11.976 -5.341 1.00 1.00 N ATOM 639 CD2 HIS A 42 56.114 10.418 -4.581 1.00 1.00 C ATOM 640 CE1 HIS A 42 56.622 11.603 -6.323 1.00 1.00 C ATOM 641 NE2 HIS A 42 55.777 10.655 -5.912 1.00 1.00 N ATOM 0 H HIS A 42 58.607 8.996 -3.054 1.00 1.00 H new ATOM 0 HA HIS A 42 59.811 11.487 -3.915 1.00 1.00 H new ATOM 0 HB2 HIS A 42 57.418 10.801 -2.132 1.00 1.00 H new ATOM 0 HB3 HIS A 42 57.858 12.435 -2.588 1.00 1.00 H new ATOM 0 HD2 HIS A 42 55.626 9.704 -3.934 1.00 1.00 H new ATOM 0 HE1 HIS A 42 56.628 12.020 -7.319 1.00 1.00 H new ATOM 0 HE2 HIS A 42 55.043 10.202 -6.455 1.00 1.00 H new ATOM 649 N LEU A 43 60.165 10.377 -0.859 1.00 1.00 N ATOM 650 CA LEU A 43 60.838 10.567 0.432 1.00 1.00 C ATOM 651 C LEU A 43 62.352 10.345 0.373 1.00 1.00 C ATOM 652 O LEU A 43 63.078 10.886 1.204 1.00 1.00 O ATOM 653 CB LEU A 43 60.219 9.623 1.483 1.00 1.00 C ATOM 654 CG LEU A 43 60.817 9.881 2.878 1.00 1.00 C ATOM 655 CD1 LEU A 43 60.537 11.323 3.326 1.00 1.00 C ATOM 656 CD2 LEU A 43 60.191 8.914 3.890 1.00 1.00 C ATOM 0 H LEU A 43 59.709 9.470 -0.958 1.00 1.00 H new ATOM 0 HA LEU A 43 60.686 11.610 0.710 1.00 1.00 H new ATOM 0 HB2 LEU A 43 59.139 9.767 1.514 1.00 1.00 H new ATOM 0 HB3 LEU A 43 60.395 8.587 1.194 1.00 1.00 H new ATOM 0 HG LEU A 43 61.895 9.726 2.828 1.00 1.00 H new ATOM 0 HD11 LEU A 43 60.967 11.487 4.314 1.00 1.00 H new ATOM 0 HD12 LEU A 43 60.984 12.018 2.616 1.00 1.00 H new ATOM 0 HD13 LEU A 43 59.460 11.489 3.367 1.00 1.00 H new ATOM 0 HD21 LEU A 43 60.614 9.097 4.878 1.00 1.00 H new ATOM 0 HD22 LEU A 43 59.113 9.070 3.923 1.00 1.00 H new ATOM 0 HD23 LEU A 43 60.400 7.887 3.590 1.00 1.00 H new ATOM 668 N SER A 44 62.848 9.540 -0.559 1.00 1.00 N ATOM 669 CA SER A 44 64.280 9.275 -0.610 1.00 1.00 C ATOM 670 C SER A 44 65.081 10.558 -0.802 1.00 1.00 C ATOM 671 O SER A 44 66.112 10.729 -0.155 1.00 1.00 O ATOM 672 CB SER A 44 64.585 8.310 -1.746 1.00 1.00 C ATOM 673 OG SER A 44 64.164 8.883 -2.978 1.00 1.00 O ATOM 0 H SER A 44 62.294 9.069 -1.275 1.00 1.00 H new ATOM 0 HA SER A 44 64.572 8.833 0.342 1.00 1.00 H new ATOM 0 HB2 SER A 44 65.653 8.095 -1.778 1.00 1.00 H new ATOM 0 HB3 SER A 44 64.074 7.362 -1.580 1.00 1.00 H new ATOM 0 HG SER A 44 63.190 8.807 -3.058 1.00 1.00 H new ATOM 679 N ARG A 45 64.666 11.433 -1.712 1.00 1.00 N ATOM 680 CA ARG A 45 65.441 12.642 -1.960 1.00 1.00 C ATOM 681 C ARG A 45 65.523 13.528 -0.713 1.00 1.00 C ATOM 682 O ARG A 45 66.600 13.991 -0.339 1.00 1.00 O ATOM 683 CB ARG A 45 64.802 13.412 -3.119 1.00 1.00 C ATOM 684 CG ARG A 45 65.653 14.633 -3.467 1.00 1.00 C ATOM 685 CD ARG A 45 64.990 15.392 -4.616 1.00 1.00 C ATOM 686 NE ARG A 45 65.847 16.479 -5.074 1.00 1.00 N ATOM 687 CZ ARG A 45 65.370 17.453 -5.838 1.00 1.00 C ATOM 688 NH1 ARG A 45 64.111 17.451 -6.184 1.00 1.00 N ATOM 689 NH2 ARG A 45 66.160 18.409 -6.243 1.00 1.00 N ATOM 0 H ARG A 45 63.822 11.333 -2.276 1.00 1.00 H new ATOM 0 HA ARG A 45 66.460 12.356 -2.219 1.00 1.00 H new ATOM 0 HB2 ARG A 45 64.709 12.763 -3.990 1.00 1.00 H new ATOM 0 HB3 ARG A 45 63.795 13.726 -2.846 1.00 1.00 H new ATOM 0 HG2 ARG A 45 65.754 15.281 -2.597 1.00 1.00 H new ATOM 0 HG3 ARG A 45 66.658 14.322 -3.752 1.00 1.00 H new ATOM 0 HD2 ARG A 45 64.787 14.709 -5.441 1.00 1.00 H new ATOM 0 HD3 ARG A 45 64.030 15.791 -4.289 1.00 1.00 H new ATOM 0 HE ARG A 45 66.830 16.491 -4.802 1.00 1.00 H new ATOM 0 HH11 ARG A 45 63.496 16.701 -5.867 1.00 1.00 H new ATOM 0 HH12 ARG A 45 63.742 18.199 -6.771 1.00 1.00 H new ATOM 0 HH21 ARG A 45 67.143 18.407 -5.972 1.00 1.00 H new ATOM 0 HH22 ARG A 45 65.794 19.158 -6.830 1.00 1.00 H new ATOM 703 N PHE A 46 64.377 13.734 -0.069 1.00 1.00 N ATOM 704 CA PHE A 46 64.282 14.534 1.156 1.00 1.00 C ATOM 705 C PHE A 46 65.103 13.922 2.287 1.00 1.00 C ATOM 706 O PHE A 46 65.797 14.623 3.021 1.00 1.00 O ATOM 707 CB PHE A 46 62.822 14.654 1.603 1.00 1.00 C ATOM 708 CG PHE A 46 62.742 15.449 2.889 1.00 1.00 C ATOM 709 CD1 PHE A 46 62.891 16.837 2.854 1.00 1.00 C ATOM 710 CD2 PHE A 46 62.519 14.799 4.115 1.00 1.00 C ATOM 711 CE1 PHE A 46 62.818 17.582 4.034 1.00 1.00 C ATOM 712 CE2 PHE A 46 62.446 15.547 5.300 1.00 1.00 C ATOM 713 CZ PHE A 46 62.596 16.939 5.257 1.00 1.00 C ATOM 0 H PHE A 46 63.484 13.351 -0.380 1.00 1.00 H new ATOM 0 HA PHE A 46 64.681 15.523 0.931 1.00 1.00 H new ATOM 0 HB2 PHE A 46 62.233 15.142 0.826 1.00 1.00 H new ATOM 0 HB3 PHE A 46 62.395 13.662 1.751 1.00 1.00 H new ATOM 0 HD1 PHE A 46 63.063 17.336 1.912 1.00 1.00 H new ATOM 0 HD2 PHE A 46 62.404 13.726 4.145 1.00 1.00 H new ATOM 0 HE1 PHE A 46 62.933 18.655 4.002 1.00 1.00 H new ATOM 0 HE2 PHE A 46 62.274 15.050 6.244 1.00 1.00 H new ATOM 0 HZ PHE A 46 62.540 17.516 6.168 1.00 1.00 H new ATOM 723 N TRP A 47 65.006 12.607 2.418 1.00 1.00 N ATOM 724 CA TRP A 47 65.727 11.876 3.453 1.00 1.00 C ATOM 725 C TRP A 47 67.221 11.775 3.141 1.00 1.00 C ATOM 726 O TRP A 47 68.060 11.962 4.024 1.00 1.00 O ATOM 727 CB TRP A 47 65.137 10.478 3.600 1.00 1.00 C ATOM 728 CG TRP A 47 66.021 9.652 4.463 1.00 1.00 C ATOM 729 CD1 TRP A 47 66.906 8.733 4.014 1.00 1.00 C ATOM 730 CD2 TRP A 47 66.112 9.639 5.911 1.00 1.00 C ATOM 731 NE1 TRP A 47 67.537 8.156 5.098 1.00 1.00 N ATOM 732 CE2 TRP A 47 67.077 8.679 6.290 1.00 1.00 C ATOM 733 CE3 TRP A 47 65.452 10.359 6.924 1.00 1.00 C ATOM 734 CZ2 TRP A 47 67.382 8.442 7.628 1.00 1.00 C ATOM 735 CZ3 TRP A 47 65.756 10.123 8.274 1.00 1.00 C ATOM 736 CH2 TRP A 47 66.717 9.164 8.625 1.00 1.00 C ATOM 0 H TRP A 47 64.430 12.019 1.815 1.00 1.00 H new ATOM 0 HA TRP A 47 65.618 12.427 4.387 1.00 1.00 H new ATOM 0 HB2 TRP A 47 64.139 10.537 4.035 1.00 1.00 H new ATOM 0 HB3 TRP A 47 65.030 10.012 2.620 1.00 1.00 H new ATOM 0 HD1 TRP A 47 67.089 8.490 2.978 1.00 1.00 H new ATOM 0 HE1 TRP A 47 68.254 7.434 5.027 1.00 1.00 H new ATOM 0 HE3 TRP A 47 64.708 11.097 6.662 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 68.126 7.706 7.894 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 65.248 10.682 9.045 1.00 1.00 H new ATOM 0 HH2 TRP A 47 66.944 8.983 9.665 1.00 1.00 H new ATOM 747 N ASN A 48 67.546 11.471 1.885 1.00 1.00 N ATOM 748 CA ASN A 48 68.945 11.350 1.479 1.00 1.00 C ATOM 749 C ASN A 48 69.652 12.692 1.623 1.00 1.00 C ATOM 750 O ASN A 48 70.788 12.761 2.092 1.00 1.00 O ATOM 751 CB ASN A 48 69.043 10.895 0.022 1.00 1.00 C ATOM 752 CG ASN A 48 70.510 10.699 -0.354 1.00 1.00 C ATOM 753 OD1 ASN A 48 71.310 10.266 0.475 1.00 1.00 O ATOM 754 ND2 ASN A 48 70.912 10.991 -1.560 1.00 1.00 N ATOM 0 H ASN A 48 66.869 11.306 1.140 1.00 1.00 H new ATOM 0 HA ASN A 48 69.421 10.611 2.123 1.00 1.00 H new ATOM 0 HB2 ASN A 48 68.494 9.964 -0.117 1.00 1.00 H new ATOM 0 HB3 ASN A 48 68.585 11.636 -0.633 1.00 1.00 H new ATOM 0 HD21 ASN A 48 71.890 10.861 -1.817 1.00 1.00 H new ATOM 0 HD22 ASN A 48 70.248 11.350 -2.246 1.00 1.00 H new ATOM 761 N ASP A 49 68.970 13.760 1.212 1.00 1.00 N ATOM 762 CA ASP A 49 69.540 15.101 1.302 1.00 1.00 C ATOM 763 C ASP A 49 69.069 15.794 2.576 1.00 1.00 C ATOM 764 O ASP A 49 67.895 16.144 2.700 1.00 1.00 O ATOM 765 CB ASP A 49 69.125 15.941 0.091 1.00 1.00 C ATOM 766 CG ASP A 49 69.990 17.197 0.011 1.00 1.00 C ATOM 767 OD1 ASP A 49 71.093 17.170 0.531 1.00 1.00 O ATOM 768 OD2 ASP A 49 69.539 18.166 -0.578 1.00 1.00 O ATOM 0 H ASP A 49 68.030 13.723 0.817 1.00 1.00 H new ATOM 0 HA ASP A 49 70.626 15.006 1.321 1.00 1.00 H new ATOM 0 HB2 ASP A 49 69.232 15.356 -0.823 1.00 1.00 H new ATOM 0 HB3 ASP A 49 68.074 16.217 0.172 1.00 1.00 H new ATOM 773 N PHE A 50 69.984 15.983 3.519 1.00 1.00 N ATOM 774 CA PHE A 50 69.633 16.628 4.779 1.00 1.00 C ATOM 775 C PHE A 50 68.374 15.992 5.353 1.00 1.00 C ATOM 776 O PHE A 50 67.956 14.976 4.824 1.00 1.00 O ATOM 777 CB PHE A 50 69.395 18.123 4.561 1.00 1.00 C ATOM 778 CG PHE A 50 70.680 18.769 4.109 1.00 1.00 C ATOM 779 CD1 PHE A 50 71.695 19.039 5.034 1.00 1.00 C ATOM 780 CD2 PHE A 50 70.858 19.091 2.761 1.00 1.00 C ATOM 781 CE1 PHE A 50 72.891 19.634 4.606 1.00 1.00 C ATOM 782 CE2 PHE A 50 72.051 19.685 2.333 1.00 1.00 C ATOM 783 CZ PHE A 50 73.069 19.955 3.256 1.00 1.00 C ATOM 784 OXT PHE A 50 67.843 16.531 6.312 1.00 1.00 O ATOM 0 H PHE A 50 70.962 15.703 3.438 1.00 1.00 H new ATOM 0 HA PHE A 50 70.458 16.497 5.479 1.00 1.00 H new ATOM 0 HB2 PHE A 50 68.616 18.274 3.814 1.00 1.00 H new ATOM 0 HB3 PHE A 50 69.046 18.586 5.484 1.00 1.00 H new ATOM 0 HD1 PHE A 50 71.558 18.790 6.076 1.00 1.00 H new ATOM 0 HD2 PHE A 50 70.074 18.881 2.048 1.00 1.00 H new ATOM 0 HE1 PHE A 50 73.675 19.844 5.319 1.00 1.00 H new ATOM 0 HE2 PHE A 50 72.186 19.935 1.291 1.00 1.00 H new ATOM 0 HZ PHE A 50 73.991 20.411 2.926 1.00 1.00 H new TER 794 PHE A 50