USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -167:sc= 0 (180deg=-0.0262) USER MOD Single : A 1 MET N :NH3+ -137:sc= -1.22 (180deg=-2.68) USER MOD Single : A 2 GLN : amide:sc=-0.00114 K(o=-0.0011,f=-0.8) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00795 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0023 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 26:sc= 0.393! USER MOD Single : A 17 THR OG1 : rot 25:sc= -1.55 USER MOD Single : A 22 THR OG1 : rot 16:sc= -0.0984 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.293 F(o=-0.9,f=-0.29) USER MOD Single : A 29 LYS NZ :NH3+ -145:sc= -1.83! (180deg=-2.33!) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0128) USER MOD Single : A 40 GLN : amide:sc= -1.02 K(o=-1,f=-6.3!) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.52! C(o=-5.2!,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0224) USER MOD Single : A 49 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.33) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -111:sc= -4.3! (180deg=-7.62!) USER MOD Single : A 59 TYR OH : rot 37:sc= -0.185 USER MOD Single : A 60 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.015) USER MOD Single : A 62 GLN : amide:sc= -0.566 K(o=-0.57,f=-1.8) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -80:sc= -0.724 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.222 F(o=-0.98,f=-0.22) USER MOD Single : A 69 MET CE :methyl -170:sc= -0.763 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.792 0.243 -0.833 1.00 1.22 N ATOM 2 CA MET A 1 3.170 0.042 -2.227 1.00 2.41 C ATOM 3 C MET A 1 3.700 -1.371 -2.448 1.00 43.32 C ATOM 4 O MET A 1 4.712 -1.564 -3.121 1.00 62.53 O ATOM 5 CB MET A 1 4.227 1.067 -2.644 1.00 11.23 C ATOM 6 CG MET A 1 5.451 1.079 -1.742 1.00 52.04 C ATOM 7 SD MET A 1 6.904 1.774 -2.553 1.00 72.31 S ATOM 8 CE MET A 1 7.474 0.361 -3.494 1.00 65.32 C ATOM 0 H1 MET A 1 1.887 0.753 -0.789 1.00 1.22 H new ATOM 0 H2 MET A 1 2.693 -0.680 -0.364 1.00 1.22 H new ATOM 0 H3 MET A 1 3.527 0.799 -0.351 1.00 1.22 H new ATOM 0 HA MET A 1 2.280 0.178 -2.842 1.00 2.41 H new ATOM 0 HB2 MET A 1 4.541 0.857 -3.666 1.00 11.23 H new ATOM 0 HB3 MET A 1 3.778 2.060 -2.646 1.00 11.23 H new ATOM 0 HG2 MET A 1 5.230 1.656 -0.844 1.00 52.04 H new ATOM 0 HG3 MET A 1 5.671 0.061 -1.421 1.00 52.04 H new ATOM 0 HE1 MET A 1 8.481 0.553 -3.864 1.00 65.32 H new ATOM 0 HE2 MET A 1 7.484 -0.522 -2.855 1.00 65.32 H new ATOM 0 HE3 MET A 1 6.804 0.191 -4.337 1.00 65.32 H new ATOM 18 N GLN A 2 3.010 -2.353 -1.877 1.00 45.14 N ATOM 19 CA GLN A 2 3.414 -3.748 -2.013 1.00 12.45 C ATOM 20 C GLN A 2 2.869 -4.349 -3.304 1.00 21.22 C ATOM 21 O GLN A 2 1.805 -3.956 -3.782 1.00 51.24 O ATOM 22 CB GLN A 2 2.926 -4.560 -0.812 1.00 31.21 C ATOM 23 CG GLN A 2 1.428 -4.821 -0.822 1.00 23.02 C ATOM 24 CD GLN A 2 0.907 -5.279 0.526 1.00 72.21 C ATOM 25 OE1 GLN A 2 1.681 -5.596 1.429 1.00 23.31 O ATOM 26 NE2 GLN A 2 -0.413 -5.316 0.669 1.00 61.32 N ATOM 0 H GLN A 2 2.170 -2.209 -1.317 1.00 45.14 H new ATOM 0 HA GLN A 2 4.503 -3.784 -2.049 1.00 12.45 H new ATOM 0 HB2 GLN A 2 3.452 -5.514 -0.791 1.00 31.21 H new ATOM 0 HB3 GLN A 2 3.188 -4.031 0.104 1.00 31.21 H new ATOM 0 HG2 GLN A 2 0.906 -3.911 -1.119 1.00 23.02 H new ATOM 0 HG3 GLN A 2 1.200 -5.578 -1.572 1.00 23.02 H new ATOM 0 HE21 GLN A 2 -1.018 -5.044 -0.106 1.00 61.32 H new ATOM 0 HE22 GLN A 2 -0.822 -5.616 1.554 1.00 61.32 H new ATOM 35 N ILE A 3 3.605 -5.304 -3.863 1.00 3.24 N ATOM 36 CA ILE A 3 3.195 -5.960 -5.098 1.00 1.40 C ATOM 37 C ILE A 3 3.114 -7.472 -4.917 1.00 41.40 C ATOM 38 O ILE A 3 3.548 -8.010 -3.898 1.00 51.23 O ATOM 39 CB ILE A 3 4.165 -5.643 -6.252 1.00 74.21 C ATOM 40 CG1 ILE A 3 5.519 -6.312 -6.007 1.00 51.23 C ATOM 41 CG2 ILE A 3 4.331 -4.139 -6.407 1.00 13.10 C ATOM 42 CD1 ILE A 3 6.532 -6.040 -7.097 1.00 24.42 C ATOM 0 H ILE A 3 4.488 -5.640 -3.480 1.00 3.24 H new ATOM 0 HA ILE A 3 2.207 -5.574 -5.348 1.00 1.40 H new ATOM 0 HB ILE A 3 3.747 -6.039 -7.177 1.00 74.21 H new ATOM 0 HG12 ILE A 3 5.920 -5.965 -5.055 1.00 51.23 H new ATOM 0 HG13 ILE A 3 5.373 -7.388 -5.918 1.00 51.23 H new ATOM 0 HG21 ILE A 3 5.019 -3.931 -7.226 1.00 13.10 H new ATOM 0 HG22 ILE A 3 3.363 -3.686 -6.623 1.00 13.10 H new ATOM 0 HG23 ILE A 3 4.730 -3.720 -5.483 1.00 13.10 H new ATOM 0 HD11 ILE A 3 7.468 -6.545 -6.858 1.00 24.42 H new ATOM 0 HD12 ILE A 3 6.152 -6.412 -8.048 1.00 24.42 H new ATOM 0 HD13 ILE A 3 6.707 -4.967 -7.171 1.00 24.42 H new ATOM 54 N PHE A 4 2.557 -8.152 -5.913 1.00 61.23 N ATOM 55 CA PHE A 4 2.420 -9.603 -5.865 1.00 72.10 C ATOM 56 C PHE A 4 3.500 -10.280 -6.704 1.00 54.24 C ATOM 57 O PHE A 4 3.528 -10.140 -7.927 1.00 44.35 O ATOM 58 CB PHE A 4 1.035 -10.022 -6.361 1.00 75.45 C ATOM 59 CG PHE A 4 -0.026 -9.965 -5.299 1.00 43.11 C ATOM 60 CD1 PHE A 4 -0.238 -8.802 -4.576 1.00 32.41 C ATOM 61 CD2 PHE A 4 -0.809 -11.074 -5.023 1.00 55.23 C ATOM 62 CE1 PHE A 4 -1.213 -8.746 -3.598 1.00 12.02 C ATOM 63 CE2 PHE A 4 -1.786 -11.023 -4.047 1.00 32.21 C ATOM 64 CZ PHE A 4 -1.988 -9.858 -3.332 1.00 65.34 C ATOM 0 H PHE A 4 2.193 -7.722 -6.763 1.00 61.23 H new ATOM 0 HA PHE A 4 2.539 -9.920 -4.829 1.00 72.10 H new ATOM 0 HB2 PHE A 4 0.744 -9.376 -7.189 1.00 75.45 H new ATOM 0 HB3 PHE A 4 1.090 -11.037 -6.753 1.00 75.45 H new ATOM 0 HD1 PHE A 4 0.365 -7.930 -4.779 1.00 32.41 H new ATOM 0 HD2 PHE A 4 -0.654 -11.988 -5.577 1.00 55.23 H new ATOM 0 HE1 PHE A 4 -1.369 -7.833 -3.042 1.00 12.02 H new ATOM 0 HE2 PHE A 4 -2.392 -11.894 -3.843 1.00 32.21 H new ATOM 0 HZ PHE A 4 -2.750 -9.817 -2.567 1.00 65.34 H new ATOM 74 N ILE A 5 4.385 -11.013 -6.039 1.00 5.35 N ATOM 75 CA ILE A 5 5.467 -11.711 -6.722 1.00 74.44 C ATOM 76 C ILE A 5 5.213 -13.215 -6.759 1.00 2.32 C ATOM 77 O ILE A 5 4.674 -13.788 -5.812 1.00 53.11 O ATOM 78 CB ILE A 5 6.825 -11.447 -6.046 1.00 35.24 C ATOM 79 CG1 ILE A 5 7.128 -9.948 -6.029 1.00 54.51 C ATOM 80 CG2 ILE A 5 7.930 -12.209 -6.761 1.00 41.35 C ATOM 81 CD1 ILE A 5 6.713 -9.261 -4.746 1.00 73.44 C ATOM 0 H ILE A 5 4.374 -11.139 -5.027 1.00 5.35 H new ATOM 0 HA ILE A 5 5.498 -11.324 -7.741 1.00 74.44 H new ATOM 0 HB ILE A 5 6.776 -11.800 -5.016 1.00 35.24 H new ATOM 0 HG12 ILE A 5 8.197 -9.800 -6.181 1.00 54.51 H new ATOM 0 HG13 ILE A 5 6.618 -9.473 -6.867 1.00 54.51 H new ATOM 0 HG21 ILE A 5 8.884 -12.012 -6.271 1.00 41.35 H new ATOM 0 HG22 ILE A 5 7.717 -13.277 -6.725 1.00 41.35 H new ATOM 0 HG23 ILE A 5 7.982 -11.885 -7.800 1.00 41.35 H new ATOM 0 HD11 ILE A 5 6.958 -8.201 -4.805 1.00 73.44 H new ATOM 0 HD12 ILE A 5 5.639 -9.377 -4.602 1.00 73.44 H new ATOM 0 HD13 ILE A 5 7.243 -9.709 -3.905 1.00 73.44 H new ATOM 93 N LYS A 6 5.608 -13.849 -7.857 1.00 71.25 N ATOM 94 CA LYS A 6 5.427 -15.287 -8.018 1.00 23.12 C ATOM 95 C LYS A 6 6.738 -15.959 -8.416 1.00 55.12 C ATOM 96 O LYS A 6 7.511 -15.416 -9.206 1.00 21.11 O ATOM 97 CB LYS A 6 4.354 -15.573 -9.071 1.00 45.11 C ATOM 98 CG LYS A 6 3.109 -14.716 -8.919 1.00 64.30 C ATOM 99 CD LYS A 6 1.990 -15.194 -9.828 1.00 55.12 C ATOM 100 CE LYS A 6 1.016 -14.071 -10.150 1.00 51.34 C ATOM 101 NZ LYS A 6 0.069 -13.819 -9.029 1.00 74.23 N ATOM 0 H LYS A 6 6.056 -13.389 -8.650 1.00 71.25 H new ATOM 0 HA LYS A 6 5.105 -15.697 -7.061 1.00 23.12 H new ATOM 0 HB2 LYS A 6 4.777 -15.411 -10.062 1.00 45.11 H new ATOM 0 HB3 LYS A 6 4.071 -16.624 -9.013 1.00 45.11 H new ATOM 0 HG2 LYS A 6 2.773 -14.741 -7.882 1.00 64.30 H new ATOM 0 HG3 LYS A 6 3.350 -13.679 -9.151 1.00 64.30 H new ATOM 0 HD2 LYS A 6 2.413 -15.586 -10.753 1.00 55.12 H new ATOM 0 HD3 LYS A 6 1.456 -16.014 -9.349 1.00 55.12 H new ATOM 0 HE2 LYS A 6 1.572 -13.159 -10.367 1.00 51.34 H new ATOM 0 HE3 LYS A 6 0.455 -14.324 -11.049 1.00 51.34 H new ATOM 0 HZ1 LYS A 6 -0.578 -13.047 -9.288 1.00 74.23 H new ATOM 0 HZ2 LYS A 6 -0.480 -14.681 -8.838 1.00 74.23 H new ATOM 0 HZ3 LYS A 6 0.603 -13.553 -8.177 1.00 74.23 H new ATOM 115 N THR A 7 6.981 -17.144 -7.866 1.00 31.41 N ATOM 116 CA THR A 7 8.197 -17.890 -8.164 1.00 71.30 C ATOM 117 C THR A 7 7.935 -18.977 -9.200 1.00 61.14 C ATOM 118 O THR A 7 6.832 -19.084 -9.738 1.00 40.11 O ATOM 119 CB THR A 7 8.784 -18.537 -6.896 1.00 23.35 C ATOM 120 OG1 THR A 7 7.934 -19.599 -6.448 1.00 51.12 O ATOM 121 CG2 THR A 7 8.944 -17.508 -5.787 1.00 42.43 C ATOM 0 H THR A 7 6.351 -17.608 -7.211 1.00 31.41 H new ATOM 0 HA THR A 7 8.916 -17.175 -8.565 1.00 71.30 H new ATOM 0 HB THR A 7 9.767 -18.938 -7.143 1.00 23.35 H new ATOM 0 HG1 THR A 7 8.316 -20.006 -5.642 1.00 51.12 H new ATOM 0 HG21 THR A 7 9.360 -17.989 -4.902 1.00 42.43 H new ATOM 0 HG22 THR A 7 9.615 -16.716 -6.119 1.00 42.43 H new ATOM 0 HG23 THR A 7 7.971 -17.081 -5.544 1.00 42.43 H new ATOM 129 N LEU A 8 8.955 -19.783 -9.477 1.00 12.55 N ATOM 130 CA LEU A 8 8.835 -20.863 -10.449 1.00 75.21 C ATOM 131 C LEU A 8 8.026 -22.023 -9.877 1.00 71.11 C ATOM 132 O LEU A 8 7.409 -22.789 -10.618 1.00 34.43 O ATOM 133 CB LEU A 8 10.221 -21.352 -10.871 1.00 60.44 C ATOM 134 CG LEU A 8 10.335 -21.901 -12.294 1.00 34.51 C ATOM 135 CD1 LEU A 8 11.762 -21.773 -12.803 1.00 53.14 C ATOM 136 CD2 LEU A 8 9.877 -23.352 -12.344 1.00 22.02 C ATOM 0 H LEU A 8 9.874 -19.708 -9.042 1.00 12.55 H new ATOM 0 HA LEU A 8 8.312 -20.476 -11.323 1.00 75.21 H new ATOM 0 HB2 LEU A 8 10.924 -20.526 -10.765 1.00 60.44 H new ATOM 0 HB3 LEU A 8 10.537 -22.130 -10.176 1.00 60.44 H new ATOM 0 HG LEU A 8 9.686 -21.313 -12.943 1.00 34.51 H new ATOM 0 HD11 LEU A 8 11.824 -22.169 -13.817 1.00 53.14 H new ATOM 0 HD12 LEU A 8 12.055 -20.723 -12.805 1.00 53.14 H new ATOM 0 HD13 LEU A 8 12.432 -22.335 -12.153 1.00 53.14 H new ATOM 0 HD21 LEU A 8 9.965 -23.726 -13.364 1.00 22.02 H new ATOM 0 HD22 LEU A 8 10.500 -23.953 -11.682 1.00 22.02 H new ATOM 0 HD23 LEU A 8 8.838 -23.417 -12.022 1.00 22.02 H new ATOM 148 N THR A 9 8.032 -22.146 -8.553 1.00 55.13 N ATOM 149 CA THR A 9 7.298 -23.211 -7.881 1.00 61.13 C ATOM 150 C THR A 9 5.812 -22.884 -7.792 1.00 50.11 C ATOM 151 O THR A 9 5.001 -23.730 -7.419 1.00 23.54 O ATOM 152 CB THR A 9 7.843 -23.460 -6.462 1.00 44.04 C ATOM 153 OG1 THR A 9 9.249 -23.189 -6.423 1.00 60.43 O ATOM 154 CG2 THR A 9 7.586 -24.895 -6.028 1.00 13.24 C ATOM 0 H THR A 9 8.537 -21.521 -7.925 1.00 55.13 H new ATOM 0 HA THR A 9 7.433 -24.113 -8.478 1.00 61.13 H new ATOM 0 HB THR A 9 7.325 -22.791 -5.775 1.00 44.04 H new ATOM 0 HG1 THR A 9 9.588 -23.348 -5.517 1.00 60.43 H new ATOM 0 HG21 THR A 9 7.980 -25.047 -5.023 1.00 13.24 H new ATOM 0 HG22 THR A 9 6.513 -25.090 -6.031 1.00 13.24 H new ATOM 0 HG23 THR A 9 8.081 -25.578 -6.719 1.00 13.24 H new ATOM 162 N GLY A 10 5.460 -21.649 -8.139 1.00 25.24 N ATOM 163 CA GLY A 10 4.071 -21.232 -8.091 1.00 62.41 C ATOM 164 C GLY A 10 3.690 -20.637 -6.750 1.00 71.51 C ATOM 165 O GLY A 10 2.512 -20.592 -6.395 1.00 0.14 O ATOM 0 H GLY A 10 6.112 -20.930 -8.452 1.00 25.24 H new ATOM 0 HA2 GLY A 10 3.888 -20.498 -8.876 1.00 62.41 H new ATOM 0 HA3 GLY A 10 3.430 -22.089 -8.300 1.00 62.41 H new ATOM 169 N LYS A 11 4.688 -20.181 -6.002 1.00 25.13 N ATOM 170 CA LYS A 11 4.453 -19.586 -4.691 1.00 63.25 C ATOM 171 C LYS A 11 4.030 -18.127 -4.825 1.00 3.34 C ATOM 172 O LYS A 11 4.358 -17.461 -5.808 1.00 33.32 O ATOM 173 CB LYS A 11 5.714 -19.686 -3.829 1.00 72.34 C ATOM 174 CG LYS A 11 5.468 -19.404 -2.357 1.00 41.45 C ATOM 175 CD LYS A 11 6.606 -19.920 -1.493 1.00 1.31 C ATOM 176 CE LYS A 11 6.377 -21.364 -1.074 1.00 10.33 C ATOM 177 NZ LYS A 11 7.361 -21.806 -0.047 1.00 15.23 N ATOM 0 H LYS A 11 5.669 -20.212 -6.281 1.00 25.13 H new ATOM 0 HA LYS A 11 3.646 -20.137 -4.208 1.00 63.25 H new ATOM 0 HB2 LYS A 11 6.137 -20.685 -3.933 1.00 72.34 H new ATOM 0 HB3 LYS A 11 6.458 -18.984 -4.205 1.00 72.34 H new ATOM 0 HG2 LYS A 11 5.353 -18.331 -2.206 1.00 41.45 H new ATOM 0 HG3 LYS A 11 4.534 -19.872 -2.047 1.00 41.45 H new ATOM 0 HD2 LYS A 11 7.545 -19.844 -2.042 1.00 1.31 H new ATOM 0 HD3 LYS A 11 6.704 -19.294 -0.606 1.00 1.31 H new ATOM 0 HE2 LYS A 11 5.367 -21.472 -0.679 1.00 10.33 H new ATOM 0 HE3 LYS A 11 6.448 -22.011 -1.948 1.00 10.33 H new ATOM 0 HZ1 LYS A 11 7.172 -22.795 0.212 1.00 15.23 H new ATOM 0 HZ2 LYS A 11 8.324 -21.727 -0.432 1.00 15.23 H new ATOM 0 HZ3 LYS A 11 7.276 -21.204 0.797 1.00 15.23 H new ATOM 191 N THR A 12 3.302 -17.633 -3.828 1.00 75.12 N ATOM 192 CA THR A 12 2.834 -16.253 -3.834 1.00 43.30 C ATOM 193 C THR A 12 3.512 -15.438 -2.738 1.00 63.14 C ATOM 194 O THR A 12 3.312 -15.691 -1.550 1.00 61.10 O ATOM 195 CB THR A 12 1.307 -16.176 -3.645 1.00 45.40 C ATOM 196 OG1 THR A 12 0.649 -16.947 -4.656 1.00 41.10 O ATOM 197 CG2 THR A 12 0.827 -14.734 -3.707 1.00 13.44 C ATOM 0 H THR A 12 3.024 -18.169 -3.006 1.00 75.12 H new ATOM 0 HA THR A 12 3.093 -15.836 -4.807 1.00 43.30 H new ATOM 0 HB THR A 12 1.063 -16.582 -2.663 1.00 45.40 H new ATOM 0 HG1 THR A 12 -0.321 -16.894 -4.528 1.00 41.10 H new ATOM 0 HG21 THR A 12 -0.254 -14.704 -3.571 1.00 13.44 H new ATOM 0 HG22 THR A 12 1.308 -14.156 -2.918 1.00 13.44 H new ATOM 0 HG23 THR A 12 1.083 -14.307 -4.677 1.00 13.44 H new ATOM 205 N ILE A 13 4.314 -14.460 -3.145 1.00 41.23 N ATOM 206 CA ILE A 13 5.020 -13.607 -2.197 1.00 30.10 C ATOM 207 C ILE A 13 4.576 -12.154 -2.328 1.00 70.10 C ATOM 208 O ILE A 13 4.776 -11.523 -3.366 1.00 43.32 O ATOM 209 CB ILE A 13 6.545 -13.686 -2.396 1.00 1.00 C ATOM 210 CG1 ILE A 13 6.995 -15.146 -2.484 1.00 40.32 C ATOM 211 CG2 ILE A 13 7.265 -12.972 -1.262 1.00 11.23 C ATOM 212 CD1 ILE A 13 8.484 -15.307 -2.697 1.00 31.40 C ATOM 0 H ILE A 13 4.491 -14.239 -4.125 1.00 41.23 H new ATOM 0 HA ILE A 13 4.773 -13.971 -1.200 1.00 30.10 H new ATOM 0 HB ILE A 13 6.800 -13.189 -3.332 1.00 1.00 H new ATOM 0 HG12 ILE A 13 6.709 -15.662 -1.567 1.00 40.32 H new ATOM 0 HG13 ILE A 13 6.464 -15.633 -3.302 1.00 40.32 H new ATOM 0 HG21 ILE A 13 8.342 -13.037 -1.417 1.00 11.23 H new ATOM 0 HG22 ILE A 13 6.964 -11.925 -1.242 1.00 11.23 H new ATOM 0 HG23 ILE A 13 7.006 -13.442 -0.313 1.00 11.23 H new ATOM 0 HD11 ILE A 13 8.731 -16.367 -2.750 1.00 31.40 H new ATOM 0 HD12 ILE A 13 8.773 -14.820 -3.628 1.00 31.40 H new ATOM 0 HD13 ILE A 13 9.022 -14.850 -1.867 1.00 31.40 H new ATOM 224 N THR A 14 3.973 -11.627 -1.267 1.00 34.31 N ATOM 225 CA THR A 14 3.501 -10.248 -1.262 1.00 74.52 C ATOM 226 C THR A 14 4.003 -9.500 -0.033 1.00 52.51 C ATOM 227 O THR A 14 3.775 -9.924 1.100 1.00 45.45 O ATOM 228 CB THR A 14 1.962 -10.181 -1.297 1.00 61.23 C ATOM 229 OG1 THR A 14 1.424 -10.608 -0.041 1.00 23.13 O ATOM 230 CG2 THR A 14 1.408 -11.053 -2.414 1.00 53.52 C ATOM 0 H THR A 14 3.800 -12.135 -0.400 1.00 34.31 H new ATOM 0 HA THR A 14 3.898 -9.774 -2.160 1.00 74.52 H new ATOM 0 HB THR A 14 1.670 -9.148 -1.484 1.00 61.23 H new ATOM 0 HG1 THR A 14 2.083 -10.452 0.667 1.00 23.13 H new ATOM 0 HG21 THR A 14 0.320 -10.990 -2.419 1.00 53.52 H new ATOM 0 HG22 THR A 14 1.796 -10.707 -3.372 1.00 53.52 H new ATOM 0 HG23 THR A 14 1.711 -12.088 -2.252 1.00 53.52 H new ATOM 238 N ALA A 15 4.686 -8.383 -0.264 1.00 61.33 N ATOM 239 CA ALA A 15 5.218 -7.574 0.825 1.00 50.10 C ATOM 240 C ALA A 15 5.668 -6.206 0.323 1.00 11.13 C ATOM 241 O ALA A 15 6.197 -6.083 -0.781 1.00 35.40 O ATOM 242 CB ALA A 15 6.373 -8.295 1.503 1.00 20.44 C ATOM 0 H ALA A 15 4.884 -8.018 -1.196 1.00 61.33 H new ATOM 0 HA ALA A 15 4.422 -7.421 1.554 1.00 50.10 H new ATOM 0 HB1 ALA A 15 6.760 -7.679 2.314 1.00 20.44 H new ATOM 0 HB2 ALA A 15 6.023 -9.246 1.905 1.00 20.44 H new ATOM 0 HB3 ALA A 15 7.165 -8.478 0.776 1.00 20.44 H new ATOM 248 N GLU A 16 5.454 -5.181 1.142 1.00 55.41 N ATOM 249 CA GLU A 16 5.836 -3.821 0.779 1.00 63.22 C ATOM 250 C GLU A 16 7.338 -3.614 0.953 1.00 1.10 C ATOM 251 O GLU A 16 7.950 -4.158 1.873 1.00 74.30 O ATOM 252 CB GLU A 16 5.068 -2.807 1.629 1.00 23.01 C ATOM 253 CG GLU A 16 5.027 -1.413 1.025 1.00 24.32 C ATOM 254 CD GLU A 16 4.290 -0.419 1.901 1.00 31.43 C ATOM 255 OE1 GLU A 16 4.846 0.668 2.161 1.00 1.32 O ATOM 256 OE2 GLU A 16 3.158 -0.729 2.327 1.00 54.30 O ATOM 0 H GLU A 16 5.019 -5.266 2.060 1.00 55.41 H new ATOM 0 HA GLU A 16 5.584 -3.668 -0.270 1.00 63.22 H new ATOM 0 HB2 GLU A 16 4.047 -3.163 1.770 1.00 23.01 H new ATOM 0 HB3 GLU A 16 5.526 -2.753 2.617 1.00 23.01 H new ATOM 0 HG2 GLU A 16 6.046 -1.062 0.862 1.00 24.32 H new ATOM 0 HG3 GLU A 16 4.545 -1.458 0.048 1.00 24.32 H new ATOM 263 N THR A 17 7.928 -2.823 0.062 1.00 13.41 N ATOM 264 CA THR A 17 9.357 -2.544 0.115 1.00 2.00 C ATOM 265 C THR A 17 9.624 -1.043 0.138 1.00 65.43 C ATOM 266 O THR A 17 8.774 -0.247 -0.256 1.00 55.33 O ATOM 267 CB THR A 17 10.096 -3.167 -1.084 1.00 71.43 C ATOM 268 OG1 THR A 17 11.511 -3.114 -0.870 1.00 34.22 O ATOM 269 CG2 THR A 17 9.746 -2.440 -2.373 1.00 55.44 C ATOM 0 H THR A 17 7.437 -2.364 -0.705 1.00 13.41 H new ATOM 0 HA THR A 17 9.732 -2.991 1.036 1.00 2.00 H new ATOM 0 HB THR A 17 9.782 -4.207 -1.175 1.00 71.43 H new ATOM 0 HG1 THR A 17 11.695 -3.078 0.092 1.00 34.22 H new ATOM 0 HG21 THR A 17 10.280 -2.898 -3.206 1.00 55.44 H new ATOM 0 HG22 THR A 17 8.672 -2.508 -2.549 1.00 55.44 H new ATOM 0 HG23 THR A 17 10.034 -1.392 -2.290 1.00 55.44 H new ATOM 277 N GLU A 18 10.812 -0.665 0.601 1.00 72.31 N ATOM 278 CA GLU A 18 11.190 0.741 0.674 1.00 12.13 C ATOM 279 C GLU A 18 11.556 1.279 -0.706 1.00 21.10 C ATOM 280 O GLU A 18 12.047 0.555 -1.572 1.00 24.41 O ATOM 281 CB GLU A 18 12.367 0.926 1.635 1.00 55.53 C ATOM 282 CG GLU A 18 11.959 0.956 3.098 1.00 30.22 C ATOM 283 CD GLU A 18 13.133 0.750 4.035 1.00 4.30 C ATOM 284 OE1 GLU A 18 14.134 0.139 3.605 1.00 5.43 O ATOM 285 OE2 GLU A 18 13.052 1.200 5.197 1.00 32.52 O ATOM 0 H GLU A 18 11.528 -1.312 0.931 1.00 72.31 H new ATOM 0 HA GLU A 18 10.333 1.302 1.047 1.00 12.13 H new ATOM 0 HB2 GLU A 18 13.081 0.116 1.482 1.00 55.53 H new ATOM 0 HB3 GLU A 18 12.882 1.855 1.391 1.00 55.53 H new ATOM 0 HG2 GLU A 18 11.485 1.912 3.320 1.00 30.22 H new ATOM 0 HG3 GLU A 18 11.214 0.182 3.280 1.00 30.22 H new ATOM 292 N PRO A 19 11.311 2.581 -0.917 1.00 62.45 N ATOM 293 CA PRO A 19 11.607 3.245 -2.190 1.00 41.21 C ATOM 294 C PRO A 19 13.105 3.387 -2.436 1.00 25.44 C ATOM 295 O PRO A 19 13.546 3.535 -3.575 1.00 20.30 O ATOM 296 CB PRO A 19 10.959 4.623 -2.030 1.00 61.31 C ATOM 297 CG PRO A 19 10.923 4.856 -0.559 1.00 61.31 C ATOM 298 CD PRO A 19 10.727 3.504 0.070 1.00 70.13 C ATOM 0 HA PRO A 19 11.232 2.678 -3.042 1.00 41.21 H new ATOM 0 HB2 PRO A 19 11.537 5.394 -2.539 1.00 61.31 H new ATOM 0 HB3 PRO A 19 9.957 4.641 -2.458 1.00 61.31 H new ATOM 0 HG2 PRO A 19 11.849 5.316 -0.214 1.00 61.31 H new ATOM 0 HG3 PRO A 19 10.112 5.532 -0.291 1.00 61.31 H new ATOM 0 HD2 PRO A 19 11.230 3.433 1.034 1.00 70.13 H new ATOM 0 HD3 PRO A 19 9.672 3.291 0.245 1.00 70.13 H new ATOM 306 N ALA A 20 13.884 3.339 -1.359 1.00 53.53 N ATOM 307 CA ALA A 20 15.333 3.460 -1.459 1.00 30.13 C ATOM 308 C ALA A 20 15.980 2.104 -1.718 1.00 70.35 C ATOM 309 O ALA A 20 17.061 2.023 -2.301 1.00 11.42 O ATOM 310 CB ALA A 20 15.899 4.083 -0.191 1.00 70.22 C ATOM 0 H ALA A 20 13.535 3.217 -0.408 1.00 53.53 H new ATOM 0 HA ALA A 20 15.561 4.110 -2.304 1.00 30.13 H new ATOM 0 HB1 ALA A 20 16.982 4.167 -0.279 1.00 70.22 H new ATOM 0 HB2 ALA A 20 15.468 5.074 -0.049 1.00 70.22 H new ATOM 0 HB3 ALA A 20 15.653 3.454 0.665 1.00 70.22 H new ATOM 316 N GLU A 21 15.311 1.041 -1.282 1.00 24.21 N ATOM 317 CA GLU A 21 15.824 -0.312 -1.467 1.00 13.14 C ATOM 318 C GLU A 21 14.697 -1.276 -1.828 1.00 0.23 C ATOM 319 O GLU A 21 14.304 -2.120 -1.022 1.00 60.20 O ATOM 320 CB GLU A 21 16.532 -0.791 -0.198 1.00 1.43 C ATOM 321 CG GLU A 21 17.979 -0.337 -0.100 1.00 52.42 C ATOM 322 CD GLU A 21 18.113 1.069 0.452 1.00 2.24 C ATOM 323 OE1 GLU A 21 17.264 1.465 1.278 1.00 54.11 O ATOM 324 OE2 GLU A 21 19.067 1.773 0.060 1.00 53.14 O ATOM 0 H GLU A 21 14.414 1.090 -0.799 1.00 24.21 H new ATOM 0 HA GLU A 21 16.540 -0.292 -2.289 1.00 13.14 H new ATOM 0 HB2 GLU A 21 15.986 -0.427 0.672 1.00 1.43 H new ATOM 0 HB3 GLU A 21 16.498 -1.880 -0.162 1.00 1.43 H new ATOM 0 HG2 GLU A 21 18.530 -1.028 0.538 1.00 52.42 H new ATOM 0 HG3 GLU A 21 18.437 -0.381 -1.088 1.00 52.42 H new ATOM 331 N THR A 22 14.180 -1.143 -3.045 1.00 61.24 N ATOM 332 CA THR A 22 13.098 -2.000 -3.514 1.00 10.33 C ATOM 333 C THR A 22 13.612 -3.389 -3.872 1.00 64.21 C ATOM 334 O THR A 22 13.084 -4.398 -3.404 1.00 3.33 O ATOM 335 CB THR A 22 12.393 -1.393 -4.742 1.00 32.34 C ATOM 336 OG1 THR A 22 11.504 -0.349 -4.330 1.00 11.22 O ATOM 337 CG2 THR A 22 11.615 -2.458 -5.500 1.00 21.42 C ATOM 0 H THR A 22 14.493 -0.450 -3.724 1.00 61.24 H new ATOM 0 HA THR A 22 12.382 -2.081 -2.696 1.00 10.33 H new ATOM 0 HB THR A 22 13.155 -0.981 -5.404 1.00 32.34 H new ATOM 0 HG1 THR A 22 11.717 -0.081 -3.412 1.00 11.22 H new ATOM 0 HG21 THR A 22 11.126 -2.006 -6.363 1.00 21.42 H new ATOM 0 HG22 THR A 22 12.299 -3.237 -5.837 1.00 21.42 H new ATOM 0 HG23 THR A 22 10.862 -2.895 -4.844 1.00 21.42 H new ATOM 345 N VAL A 23 14.647 -3.435 -4.705 1.00 61.45 N ATOM 346 CA VAL A 23 15.234 -4.702 -5.125 1.00 65.04 C ATOM 347 C VAL A 23 16.088 -5.306 -4.016 1.00 62.33 C ATOM 348 O VAL A 23 15.992 -6.498 -3.724 1.00 51.13 O ATOM 349 CB VAL A 23 16.100 -4.528 -6.388 1.00 30.34 C ATOM 350 CG1 VAL A 23 16.586 -5.878 -6.892 1.00 72.52 C ATOM 351 CG2 VAL A 23 15.322 -3.794 -7.469 1.00 44.13 C ATOM 0 H VAL A 23 15.096 -2.610 -5.102 1.00 61.45 H new ATOM 0 HA VAL A 23 14.407 -5.375 -5.350 1.00 65.04 H new ATOM 0 HB VAL A 23 16.973 -3.928 -6.130 1.00 30.34 H new ATOM 0 HG11 VAL A 23 17.196 -5.735 -7.784 1.00 72.52 H new ATOM 0 HG12 VAL A 23 17.182 -6.362 -6.119 1.00 72.52 H new ATOM 0 HG13 VAL A 23 15.729 -6.506 -7.135 1.00 72.52 H new ATOM 0 HG21 VAL A 23 15.948 -3.680 -8.354 1.00 44.13 H new ATOM 0 HG22 VAL A 23 14.430 -4.365 -7.727 1.00 44.13 H new ATOM 0 HG23 VAL A 23 15.029 -2.810 -7.102 1.00 44.13 H new ATOM 361 N ALA A 24 16.924 -4.476 -3.401 1.00 53.21 N ATOM 362 CA ALA A 24 17.793 -4.927 -2.322 1.00 21.51 C ATOM 363 C ALA A 24 16.991 -5.613 -1.221 1.00 71.11 C ATOM 364 O ALA A 24 17.392 -6.657 -0.706 1.00 75.34 O ATOM 365 CB ALA A 24 18.580 -3.756 -1.753 1.00 31.23 C ATOM 0 H ALA A 24 17.018 -3.487 -3.632 1.00 53.21 H new ATOM 0 HA ALA A 24 18.493 -5.655 -2.733 1.00 21.51 H new ATOM 0 HB1 ALA A 24 19.225 -4.108 -0.948 1.00 31.23 H new ATOM 0 HB2 ALA A 24 19.191 -3.312 -2.539 1.00 31.23 H new ATOM 0 HB3 ALA A 24 17.889 -3.008 -1.364 1.00 31.23 H new ATOM 371 N ASP A 25 15.857 -5.019 -0.864 1.00 65.23 N ATOM 372 CA ASP A 25 14.998 -5.573 0.176 1.00 65.32 C ATOM 373 C ASP A 25 14.458 -6.939 -0.236 1.00 53.14 C ATOM 374 O ASP A 25 14.256 -7.818 0.603 1.00 45.03 O ATOM 375 CB ASP A 25 13.840 -4.620 0.471 1.00 15.04 C ATOM 376 CG ASP A 25 14.238 -3.498 1.410 1.00 51.22 C ATOM 377 OD1 ASP A 25 15.423 -3.444 1.802 1.00 74.12 O ATOM 378 OD2 ASP A 25 13.365 -2.673 1.751 1.00 2.24 O ATOM 0 H ASP A 25 15.512 -4.154 -1.280 1.00 65.23 H new ATOM 0 HA ASP A 25 15.595 -5.696 1.079 1.00 65.32 H new ATOM 0 HB2 ASP A 25 13.476 -4.195 -0.464 1.00 15.04 H new ATOM 0 HB3 ASP A 25 13.014 -5.181 0.909 1.00 15.04 H new ATOM 383 N LEU A 26 14.223 -7.110 -1.533 1.00 2.33 N ATOM 384 CA LEU A 26 13.704 -8.368 -2.057 1.00 23.40 C ATOM 385 C LEU A 26 14.781 -9.448 -2.045 1.00 63.42 C ATOM 386 O LEU A 26 14.573 -10.543 -1.521 1.00 50.21 O ATOM 387 CB LEU A 26 13.178 -8.173 -3.480 1.00 12.52 C ATOM 388 CG LEU A 26 12.001 -9.059 -3.888 1.00 14.12 C ATOM 389 CD1 LEU A 26 11.487 -8.664 -5.264 1.00 31.23 C ATOM 390 CD2 LEU A 26 12.406 -10.526 -3.868 1.00 55.33 C ATOM 0 H LEU A 26 14.384 -6.393 -2.240 1.00 2.33 H new ATOM 0 HA LEU A 26 12.885 -8.690 -1.414 1.00 23.40 H new ATOM 0 HB2 LEU A 26 12.880 -7.131 -3.596 1.00 12.52 H new ATOM 0 HB3 LEU A 26 13.998 -8.349 -4.176 1.00 12.52 H new ATOM 0 HG LEU A 26 11.196 -8.915 -3.168 1.00 14.12 H new ATOM 0 HD11 LEU A 26 10.649 -9.306 -5.537 1.00 31.23 H new ATOM 0 HD12 LEU A 26 11.157 -7.625 -5.245 1.00 31.23 H new ATOM 0 HD13 LEU A 26 12.286 -8.778 -5.997 1.00 31.23 H new ATOM 0 HD21 LEU A 26 11.556 -11.142 -4.161 1.00 55.33 H new ATOM 0 HD22 LEU A 26 13.228 -10.686 -4.566 1.00 55.33 H new ATOM 0 HD23 LEU A 26 12.725 -10.802 -2.863 1.00 55.33 H new ATOM 402 N LYS A 27 15.935 -9.133 -2.625 1.00 15.02 N ATOM 403 CA LYS A 27 17.047 -10.074 -2.679 1.00 31.12 C ATOM 404 C LYS A 27 17.569 -10.380 -1.279 1.00 3.23 C ATOM 405 O LYS A 27 17.988 -11.502 -0.995 1.00 11.44 O ATOM 406 CB LYS A 27 18.176 -9.511 -3.545 1.00 24.35 C ATOM 407 CG LYS A 27 17.698 -8.919 -4.859 1.00 21.11 C ATOM 408 CD LYS A 27 18.664 -9.222 -5.992 1.00 24.44 C ATOM 409 CE LYS A 27 19.720 -8.136 -6.129 1.00 61.25 C ATOM 410 NZ LYS A 27 20.757 -8.495 -7.136 1.00 23.31 N ATOM 0 H LYS A 27 16.124 -8.232 -3.065 1.00 15.02 H new ATOM 0 HA LYS A 27 16.685 -11.001 -3.123 1.00 31.12 H new ATOM 0 HB2 LYS A 27 18.706 -8.743 -2.982 1.00 24.35 H new ATOM 0 HB3 LYS A 27 18.893 -10.305 -3.754 1.00 24.35 H new ATOM 0 HG2 LYS A 27 16.714 -9.319 -5.102 1.00 21.11 H new ATOM 0 HG3 LYS A 27 17.587 -7.840 -4.754 1.00 21.11 H new ATOM 0 HD2 LYS A 27 19.149 -10.182 -5.812 1.00 24.44 H new ATOM 0 HD3 LYS A 27 18.112 -9.314 -6.927 1.00 24.44 H new ATOM 0 HE2 LYS A 27 19.243 -7.199 -6.417 1.00 61.25 H new ATOM 0 HE3 LYS A 27 20.195 -7.967 -5.163 1.00 61.25 H new ATOM 0 HZ1 LYS A 27 21.458 -7.730 -7.200 1.00 23.31 H new ATOM 0 HZ2 LYS A 27 21.230 -9.375 -6.848 1.00 23.31 H new ATOM 0 HZ3 LYS A 27 20.307 -8.631 -8.064 1.00 23.31 H new ATOM 424 N GLN A 28 17.540 -9.375 -0.409 1.00 22.43 N ATOM 425 CA GLN A 28 18.010 -9.539 0.962 1.00 44.42 C ATOM 426 C GLN A 28 17.043 -10.396 1.771 1.00 61.53 C ATOM 427 O GLN A 28 17.453 -11.147 2.656 1.00 23.03 O ATOM 428 CB GLN A 28 18.182 -8.174 1.631 1.00 52.44 C ATOM 429 CG GLN A 28 18.908 -8.237 2.964 1.00 3.54 C ATOM 430 CD GLN A 28 20.303 -8.819 2.843 1.00 54.14 C ATOM 431 OE1 GLN A 28 20.428 -10.116 3.100 1.00 75.24 O flip ATOM 432 NE2 GLN A 28 21.258 -8.111 2.521 1.00 15.53 N flip ATOM 0 H GLN A 28 17.197 -8.440 -0.629 1.00 22.43 H new ATOM 0 HA GLN A 28 18.975 -10.045 0.930 1.00 44.42 H new ATOM 0 HB2 GLN A 28 18.732 -7.516 0.958 1.00 52.44 H new ATOM 0 HB3 GLN A 28 17.200 -7.727 1.783 1.00 52.44 H new ATOM 0 HG2 GLN A 28 18.972 -7.234 3.386 1.00 3.54 H new ATOM 0 HG3 GLN A 28 18.327 -8.840 3.662 1.00 3.54 H new ATOM 0 HE21 GLN A 28 21.116 -7.119 2.332 1.00 15.53 H new ATOM 0 HE22 GLN A 28 22.190 -8.517 2.443 1.00 15.53 H new ATOM 441 N LYS A 29 15.756 -10.280 1.461 1.00 62.30 N ATOM 442 CA LYS A 29 14.729 -11.045 2.158 1.00 60.42 C ATOM 443 C LYS A 29 15.024 -12.540 2.089 1.00 34.51 C ATOM 444 O LYS A 29 15.053 -13.224 3.113 1.00 64.12 O ATOM 445 CB LYS A 29 13.352 -10.758 1.554 1.00 4.12 C ATOM 446 CG LYS A 29 12.606 -9.632 2.250 1.00 65.34 C ATOM 447 CD LYS A 29 11.535 -9.036 1.352 1.00 1.54 C ATOM 448 CE LYS A 29 10.444 -10.048 1.038 1.00 0.42 C ATOM 449 NZ LYS A 29 9.210 -9.391 0.524 1.00 20.23 N ATOM 0 H LYS A 29 15.399 -9.663 0.731 1.00 62.30 H new ATOM 0 HA LYS A 29 14.731 -10.740 3.204 1.00 60.42 H new ATOM 0 HB2 LYS A 29 13.472 -10.506 0.500 1.00 4.12 H new ATOM 0 HB3 LYS A 29 12.749 -11.665 1.599 1.00 4.12 H new ATOM 0 HG2 LYS A 29 12.148 -10.008 3.164 1.00 65.34 H new ATOM 0 HG3 LYS A 29 13.311 -8.854 2.544 1.00 65.34 H new ATOM 0 HD2 LYS A 29 11.096 -8.165 1.837 1.00 1.54 H new ATOM 0 HD3 LYS A 29 11.989 -8.689 0.424 1.00 1.54 H new ATOM 0 HE2 LYS A 29 10.811 -10.760 0.299 1.00 0.42 H new ATOM 0 HE3 LYS A 29 10.206 -10.616 1.937 1.00 0.42 H new ATOM 0 HZ1 LYS A 29 8.374 -9.909 0.862 1.00 20.23 H new ATOM 0 HZ2 LYS A 29 9.171 -8.410 0.866 1.00 20.23 H new ATOM 0 HZ3 LYS A 29 9.222 -9.395 -0.516 1.00 20.23 H new ATOM 463 N ILE A 30 15.242 -13.041 0.878 1.00 51.23 N ATOM 464 CA ILE A 30 15.537 -14.454 0.677 1.00 32.12 C ATOM 465 C ILE A 30 16.967 -14.782 1.094 1.00 53.34 C ATOM 466 O ILE A 30 17.250 -15.883 1.563 1.00 64.41 O ATOM 467 CB ILE A 30 15.334 -14.869 -0.792 1.00 43.42 C ATOM 468 CG1 ILE A 30 13.895 -14.591 -1.229 1.00 54.44 C ATOM 469 CG2 ILE A 30 15.676 -16.339 -0.980 1.00 31.24 C ATOM 470 CD1 ILE A 30 13.729 -13.279 -1.964 1.00 12.53 C ATOM 0 H ILE A 30 15.220 -12.489 0.021 1.00 51.23 H new ATOM 0 HA ILE A 30 14.841 -15.013 1.303 1.00 32.12 H new ATOM 0 HB ILE A 30 16.004 -14.278 -1.417 1.00 43.42 H new ATOM 0 HG12 ILE A 30 13.556 -15.403 -1.872 1.00 54.44 H new ATOM 0 HG13 ILE A 30 13.251 -14.590 -0.350 1.00 54.44 H new ATOM 0 HG21 ILE A 30 15.527 -16.617 -2.024 1.00 31.24 H new ATOM 0 HG22 ILE A 30 16.717 -16.509 -0.704 1.00 31.24 H new ATOM 0 HG23 ILE A 30 15.029 -16.947 -0.347 1.00 31.24 H new ATOM 0 HD11 ILE A 30 12.684 -13.148 -2.243 1.00 12.53 H new ATOM 0 HD12 ILE A 30 14.037 -12.458 -1.317 1.00 12.53 H new ATOM 0 HD13 ILE A 30 14.347 -13.284 -2.862 1.00 12.53 H new ATOM 482 N ALA A 31 17.864 -13.816 0.920 1.00 34.51 N ATOM 483 CA ALA A 31 19.264 -14.001 1.281 1.00 13.34 C ATOM 484 C ALA A 31 19.402 -14.451 2.732 1.00 53.12 C ATOM 485 O ALA A 31 20.122 -15.404 3.030 1.00 2.41 O ATOM 486 CB ALA A 31 20.042 -12.714 1.050 1.00 62.12 C ATOM 0 H ALA A 31 17.646 -12.898 0.532 1.00 34.51 H new ATOM 0 HA ALA A 31 19.678 -14.783 0.644 1.00 13.34 H new ATOM 0 HB1 ALA A 31 21.086 -12.866 1.324 1.00 62.12 H new ATOM 0 HB2 ALA A 31 19.979 -12.435 -0.002 1.00 62.12 H new ATOM 0 HB3 ALA A 31 19.619 -11.918 1.663 1.00 62.12 H new ATOM 492 N ASP A 32 18.708 -13.760 3.629 1.00 12.14 N ATOM 493 CA ASP A 32 18.753 -14.089 5.049 1.00 32.23 C ATOM 494 C ASP A 32 17.904 -15.321 5.349 1.00 55.52 C ATOM 495 O ASP A 32 18.113 -16.003 6.352 1.00 75.54 O ATOM 496 CB ASP A 32 18.267 -12.904 5.885 1.00 2.12 C ATOM 497 CG ASP A 32 17.946 -13.296 7.314 1.00 3.10 C ATOM 498 OD1 ASP A 32 16.858 -12.924 7.802 1.00 62.04 O ATOM 499 OD2 ASP A 32 18.783 -13.975 7.945 1.00 71.35 O ATOM 0 H ASP A 32 18.107 -12.968 3.398 1.00 12.14 H new ATOM 0 HA ASP A 32 19.787 -14.310 5.313 1.00 32.23 H new ATOM 0 HB2 ASP A 32 19.032 -12.127 5.888 1.00 2.12 H new ATOM 0 HB3 ASP A 32 17.379 -12.476 5.421 1.00 2.12 H new ATOM 504 N LYS A 33 16.944 -15.598 4.473 1.00 73.21 N ATOM 505 CA LYS A 33 16.062 -16.747 4.642 1.00 11.00 C ATOM 506 C LYS A 33 16.814 -18.051 4.398 1.00 25.11 C ATOM 507 O LYS A 33 16.700 -18.998 5.175 1.00 32.40 O ATOM 508 CB LYS A 33 14.871 -16.647 3.686 1.00 12.34 C ATOM 509 CG LYS A 33 13.903 -17.812 3.796 1.00 31.14 C ATOM 510 CD LYS A 33 12.640 -17.567 2.987 1.00 3.45 C ATOM 511 CE LYS A 33 11.832 -18.843 2.815 1.00 71.41 C ATOM 512 NZ LYS A 33 11.346 -19.373 4.119 1.00 14.52 N ATOM 0 H LYS A 33 16.757 -15.042 3.638 1.00 73.21 H new ATOM 0 HA LYS A 33 15.697 -16.745 5.669 1.00 11.00 H new ATOM 0 HB2 LYS A 33 14.334 -15.719 3.884 1.00 12.34 H new ATOM 0 HB3 LYS A 33 15.241 -16.589 2.663 1.00 12.34 H new ATOM 0 HG2 LYS A 33 14.388 -18.723 3.447 1.00 31.14 H new ATOM 0 HG3 LYS A 33 13.641 -17.971 4.842 1.00 31.14 H new ATOM 0 HD2 LYS A 33 12.029 -16.813 3.483 1.00 3.45 H new ATOM 0 HD3 LYS A 33 12.905 -17.168 2.008 1.00 3.45 H new ATOM 0 HE2 LYS A 33 10.981 -18.648 2.162 1.00 71.41 H new ATOM 0 HE3 LYS A 33 12.445 -19.597 2.322 1.00 71.41 H new ATOM 0 HZ1 LYS A 33 10.744 -20.204 3.953 1.00 14.52 H new ATOM 0 HZ2 LYS A 33 12.159 -19.646 4.707 1.00 14.52 H new ATOM 0 HZ3 LYS A 33 10.796 -18.639 4.609 1.00 14.52 H new ATOM 526 N GLU A 34 17.585 -18.091 3.315 1.00 33.23 N ATOM 527 CA GLU A 34 18.356 -19.280 2.971 1.00 42.30 C ATOM 528 C GLU A 34 19.845 -19.053 3.220 1.00 34.21 C ATOM 529 O GLU A 34 20.686 -19.827 2.765 1.00 0.04 O ATOM 530 CB GLU A 34 18.125 -19.659 1.507 1.00 52.53 C ATOM 531 CG GLU A 34 16.936 -20.581 1.297 1.00 13.03 C ATOM 532 CD GLU A 34 16.947 -21.247 -0.065 1.00 13.10 C ATOM 533 OE1 GLU A 34 16.297 -22.303 -0.214 1.00 32.04 O ATOM 534 OE2 GLU A 34 17.605 -20.713 -0.982 1.00 11.32 O ATOM 0 H GLU A 34 17.692 -17.315 2.662 1.00 33.23 H new ATOM 0 HA GLU A 34 18.019 -20.098 3.608 1.00 42.30 H new ATOM 0 HB2 GLU A 34 17.976 -18.750 0.924 1.00 52.53 H new ATOM 0 HB3 GLU A 34 19.022 -20.143 1.120 1.00 52.53 H new ATOM 0 HG2 GLU A 34 16.934 -21.348 2.072 1.00 13.03 H new ATOM 0 HG3 GLU A 34 16.014 -20.011 1.411 1.00 13.03 H new ATOM 541 N GLY A 35 20.162 -17.985 3.946 1.00 75.02 N ATOM 542 CA GLY A 35 21.548 -17.674 4.242 1.00 33.55 C ATOM 543 C GLY A 35 22.415 -17.649 3.000 1.00 50.45 C ATOM 544 O GLY A 35 23.591 -18.011 3.046 1.00 35.21 O ATOM 0 H GLY A 35 19.483 -17.330 4.334 1.00 75.02 H new ATOM 0 HA2 GLY A 35 21.602 -16.705 4.738 1.00 33.55 H new ATOM 0 HA3 GLY A 35 21.941 -18.412 4.941 1.00 33.55 H new ATOM 548 N VAL A 36 21.834 -17.220 1.883 1.00 21.23 N ATOM 549 CA VAL A 36 22.561 -17.149 0.622 1.00 64.14 C ATOM 550 C VAL A 36 22.736 -15.704 0.169 1.00 51.14 C ATOM 551 O VAL A 36 21.972 -14.814 0.542 1.00 10.41 O ATOM 552 CB VAL A 36 21.841 -17.940 -0.487 1.00 2.32 C ATOM 553 CG1 VAL A 36 22.069 -19.433 -0.312 1.00 23.31 C ATOM 554 CG2 VAL A 36 20.355 -17.616 -0.492 1.00 12.14 C ATOM 0 H VAL A 36 20.862 -16.917 1.827 1.00 21.23 H new ATOM 0 HA VAL A 36 23.541 -17.593 0.797 1.00 64.14 H new ATOM 0 HB VAL A 36 22.258 -17.644 -1.450 1.00 2.32 H new ATOM 0 HG11 VAL A 36 21.553 -19.975 -1.104 1.00 23.31 H new ATOM 0 HG12 VAL A 36 23.137 -19.646 -0.362 1.00 23.31 H new ATOM 0 HG13 VAL A 36 21.681 -19.749 0.656 1.00 23.31 H new ATOM 0 HG21 VAL A 36 19.862 -18.183 -1.281 1.00 12.14 H new ATOM 0 HG22 VAL A 36 19.921 -17.883 0.472 1.00 12.14 H new ATOM 0 HG23 VAL A 36 20.216 -16.550 -0.670 1.00 12.14 H new ATOM 564 N PRO A 37 23.765 -15.463 -0.657 1.00 4.23 N ATOM 565 CA PRO A 37 24.064 -14.127 -1.180 1.00 42.51 C ATOM 566 C PRO A 37 23.020 -13.651 -2.184 1.00 43.55 C ATOM 567 O PRO A 37 22.456 -14.448 -2.934 1.00 45.11 O ATOM 568 CB PRO A 37 25.421 -14.309 -1.865 1.00 30.01 C ATOM 569 CG PRO A 37 25.473 -15.754 -2.223 1.00 70.04 C ATOM 570 CD PRO A 37 24.717 -16.476 -1.143 1.00 74.30 C ATOM 0 HA PRO A 37 24.067 -13.373 -0.393 1.00 42.51 H new ATOM 0 HB2 PRO A 37 25.506 -13.678 -2.750 1.00 30.01 H new ATOM 0 HB3 PRO A 37 26.240 -14.036 -1.200 1.00 30.01 H new ATOM 0 HG2 PRO A 37 25.022 -15.930 -3.200 1.00 70.04 H new ATOM 0 HG3 PRO A 37 26.503 -16.105 -2.279 1.00 70.04 H new ATOM 0 HD2 PRO A 37 24.204 -17.356 -1.531 1.00 74.30 H new ATOM 0 HD3 PRO A 37 25.380 -16.818 -0.348 1.00 74.30 H new ATOM 578 N VAL A 38 22.767 -12.346 -2.195 1.00 4.52 N ATOM 579 CA VAL A 38 21.792 -11.763 -3.109 1.00 20.04 C ATOM 580 C VAL A 38 22.245 -11.902 -4.558 1.00 3.34 C ATOM 581 O VAL A 38 21.428 -11.893 -5.478 1.00 51.31 O ATOM 582 CB VAL A 38 21.551 -10.274 -2.798 1.00 2.22 C ATOM 583 CG1 VAL A 38 20.947 -10.108 -1.412 1.00 21.33 C ATOM 584 CG2 VAL A 38 22.848 -9.488 -2.921 1.00 11.14 C ATOM 0 H VAL A 38 23.224 -11.672 -1.581 1.00 4.52 H new ATOM 0 HA VAL A 38 20.860 -12.311 -2.969 1.00 20.04 H new ATOM 0 HB VAL A 38 20.842 -9.879 -3.526 1.00 2.22 H new ATOM 0 HG11 VAL A 38 20.784 -9.049 -1.211 1.00 21.33 H new ATOM 0 HG12 VAL A 38 19.995 -10.637 -1.364 1.00 21.33 H new ATOM 0 HG13 VAL A 38 21.628 -10.518 -0.667 1.00 21.33 H new ATOM 0 HG21 VAL A 38 22.660 -8.438 -2.698 1.00 11.14 H new ATOM 0 HG22 VAL A 38 23.581 -9.883 -2.217 1.00 11.14 H new ATOM 0 HG23 VAL A 38 23.234 -9.580 -3.936 1.00 11.14 H new ATOM 594 N ASP A 39 23.553 -12.030 -4.753 1.00 20.33 N ATOM 595 CA ASP A 39 24.116 -12.173 -6.090 1.00 42.33 C ATOM 596 C ASP A 39 23.602 -13.441 -6.764 1.00 62.20 C ATOM 597 O ASP A 39 23.583 -13.539 -7.991 1.00 14.24 O ATOM 598 CB ASP A 39 25.644 -12.199 -6.024 1.00 10.05 C ATOM 599 CG ASP A 39 26.286 -12.000 -7.382 1.00 64.33 C ATOM 600 OD1 ASP A 39 26.769 -12.996 -7.962 1.00 52.11 O ATOM 601 OD2 ASP A 39 26.306 -10.850 -7.866 1.00 51.53 O ATOM 0 H ASP A 39 24.243 -12.038 -4.002 1.00 20.33 H new ATOM 0 HA ASP A 39 23.801 -11.315 -6.683 1.00 42.33 H new ATOM 0 HB2 ASP A 39 25.989 -11.419 -5.345 1.00 10.05 H new ATOM 0 HB3 ASP A 39 25.970 -13.152 -5.607 1.00 10.05 H new ATOM 606 N GLN A 40 23.189 -14.410 -5.953 1.00 54.23 N ATOM 607 CA GLN A 40 22.676 -15.673 -6.472 1.00 5.31 C ATOM 608 C GLN A 40 21.210 -15.543 -6.869 1.00 73.31 C ATOM 609 O GLN A 40 20.679 -16.380 -7.599 1.00 43.13 O ATOM 610 CB GLN A 40 22.839 -16.780 -5.429 1.00 10.10 C ATOM 611 CG GLN A 40 24.219 -17.417 -5.428 1.00 3.43 C ATOM 612 CD GLN A 40 24.349 -18.527 -4.404 1.00 73.31 C ATOM 613 OE1 GLN A 40 25.055 -18.388 -3.405 1.00 42.43 O ATOM 614 NE2 GLN A 40 23.665 -19.639 -4.647 1.00 61.53 N ATOM 0 H GLN A 40 23.200 -14.345 -4.935 1.00 54.23 H new ATOM 0 HA GLN A 40 23.252 -15.933 -7.360 1.00 5.31 H new ATOM 0 HB2 GLN A 40 22.637 -16.368 -4.440 1.00 10.10 H new ATOM 0 HB3 GLN A 40 22.092 -17.552 -5.611 1.00 10.10 H new ATOM 0 HG2 GLN A 40 24.431 -17.816 -6.420 1.00 3.43 H new ATOM 0 HG3 GLN A 40 24.968 -16.652 -5.225 1.00 3.43 H new ATOM 0 HE21 GLN A 40 23.092 -19.712 -5.488 1.00 61.53 H new ATOM 0 HE22 GLN A 40 23.713 -20.420 -3.993 1.00 61.53 H new ATOM 623 N GLN A 41 20.561 -14.490 -6.383 1.00 72.21 N ATOM 624 CA GLN A 41 19.155 -14.253 -6.687 1.00 54.22 C ATOM 625 C GLN A 41 19.003 -13.177 -7.758 1.00 22.22 C ATOM 626 O GLN A 41 19.672 -12.145 -7.713 1.00 1.41 O ATOM 627 CB GLN A 41 18.400 -13.840 -5.422 1.00 41.13 C ATOM 628 CG GLN A 41 18.545 -14.829 -4.277 1.00 44.01 C ATOM 629 CD GLN A 41 18.102 -14.251 -2.947 1.00 71.54 C ATOM 630 OE1 GLN A 41 18.510 -14.892 -1.858 1.00 11.05 O flip ATOM 631 NE2 GLN A 41 17.400 -13.241 -2.900 1.00 2.40 N flip ATOM 0 H GLN A 41 20.986 -13.788 -5.777 1.00 72.21 H new ATOM 0 HA GLN A 41 18.731 -15.182 -7.068 1.00 54.22 H new ATOM 0 HB2 GLN A 41 18.760 -12.864 -5.096 1.00 41.13 H new ATOM 0 HB3 GLN A 41 17.343 -13.726 -5.661 1.00 41.13 H new ATOM 0 HG2 GLN A 41 17.957 -15.720 -4.495 1.00 44.01 H new ATOM 0 HG3 GLN A 41 19.586 -15.144 -4.203 1.00 44.01 H new ATOM 0 HE21 GLN A 41 17.110 -12.781 -3.763 1.00 2.40 H new ATOM 0 HE22 GLN A 41 17.108 -12.864 -1.998 1.00 2.40 H new ATOM 640 N ARG A 42 18.120 -13.427 -8.719 1.00 45.45 N ATOM 641 CA ARG A 42 17.883 -12.480 -9.802 1.00 53.05 C ATOM 642 C ARG A 42 16.387 -12.286 -10.036 1.00 44.23 C ATOM 643 O ARG A 42 15.592 -13.205 -9.838 1.00 24.44 O ATOM 644 CB ARG A 42 18.552 -12.966 -11.089 1.00 41.03 C ATOM 645 CG ARG A 42 19.946 -12.398 -11.303 1.00 54.00 C ATOM 646 CD ARG A 42 21.004 -13.242 -10.610 1.00 34.13 C ATOM 647 NE ARG A 42 22.340 -12.990 -11.141 1.00 42.43 N ATOM 648 CZ ARG A 42 23.356 -13.835 -11.008 1.00 71.21 C ATOM 649 NH1 ARG A 42 23.188 -14.982 -10.364 1.00 70.13 N ATOM 650 NH2 ARG A 42 24.543 -13.534 -11.520 1.00 34.52 N ATOM 0 H ARG A 42 17.557 -14.276 -8.770 1.00 45.45 H new ATOM 0 HA ARG A 42 18.316 -11.522 -9.515 1.00 53.05 H new ATOM 0 HB2 ARG A 42 18.611 -14.054 -11.069 1.00 41.03 H new ATOM 0 HB3 ARG A 42 17.925 -12.697 -11.939 1.00 41.03 H new ATOM 0 HG2 ARG A 42 20.160 -12.349 -12.371 1.00 54.00 H new ATOM 0 HG3 ARG A 42 19.987 -11.377 -10.923 1.00 54.00 H new ATOM 0 HD2 ARG A 42 20.993 -13.030 -9.541 1.00 34.13 H new ATOM 0 HD3 ARG A 42 20.760 -14.298 -10.728 1.00 34.13 H new ATOM 0 HE ARG A 42 22.502 -12.116 -11.642 1.00 42.43 H new ATOM 0 HH11 ARG A 42 22.277 -15.217 -9.970 1.00 70.13 H new ATOM 0 HH12 ARG A 42 23.970 -15.629 -10.263 1.00 70.13 H new ATOM 0 HH21 ARG A 42 24.676 -12.653 -12.016 1.00 34.52 H new ATOM 0 HH22 ARG A 42 25.322 -14.184 -11.417 1.00 34.52 H new ATOM 664 N LEU A 43 16.011 -11.084 -10.459 1.00 2.24 N ATOM 665 CA LEU A 43 14.611 -10.768 -10.719 1.00 41.03 C ATOM 666 C LEU A 43 14.420 -10.286 -12.154 1.00 15.24 C ATOM 667 O LEU A 43 15.283 -9.609 -12.712 1.00 4.43 O ATOM 668 CB LEU A 43 14.118 -9.701 -9.740 1.00 74.23 C ATOM 669 CG LEU A 43 14.345 -9.995 -8.257 1.00 41.30 C ATOM 670 CD1 LEU A 43 14.262 -8.714 -7.441 1.00 24.33 C ATOM 671 CD2 LEU A 43 13.335 -11.016 -7.754 1.00 61.04 C ATOM 0 H LEU A 43 16.656 -10.312 -10.629 1.00 2.24 H new ATOM 0 HA LEU A 43 14.026 -11.677 -10.579 1.00 41.03 H new ATOM 0 HB2 LEU A 43 14.610 -8.759 -9.983 1.00 74.23 H new ATOM 0 HB3 LEU A 43 13.050 -9.554 -9.901 1.00 74.23 H new ATOM 0 HG LEU A 43 15.344 -10.414 -8.138 1.00 41.30 H new ATOM 0 HD11 LEU A 43 14.426 -8.942 -6.388 1.00 24.33 H new ATOM 0 HD12 LEU A 43 15.024 -8.014 -7.784 1.00 24.33 H new ATOM 0 HD13 LEU A 43 13.276 -8.266 -7.566 1.00 24.33 H new ATOM 0 HD21 LEU A 43 13.512 -11.213 -6.697 1.00 61.04 H new ATOM 0 HD22 LEU A 43 12.326 -10.625 -7.886 1.00 61.04 H new ATOM 0 HD23 LEU A 43 13.442 -11.942 -8.318 1.00 61.04 H new ATOM 683 N ILE A 44 13.282 -10.637 -12.744 1.00 20.34 N ATOM 684 CA ILE A 44 12.976 -10.237 -14.111 1.00 61.34 C ATOM 685 C ILE A 44 11.542 -9.732 -14.229 1.00 30.51 C ATOM 686 O ILE A 44 10.619 -10.314 -13.658 1.00 0.10 O ATOM 687 CB ILE A 44 13.181 -11.402 -15.098 1.00 33.33 C ATOM 688 CG1 ILE A 44 14.623 -11.908 -15.032 1.00 3.24 C ATOM 689 CG2 ILE A 44 12.831 -10.966 -16.513 1.00 32.14 C ATOM 690 CD1 ILE A 44 14.829 -13.017 -14.024 1.00 4.22 C ATOM 0 H ILE A 44 12.557 -11.198 -12.296 1.00 20.34 H new ATOM 0 HA ILE A 44 13.664 -9.431 -14.365 1.00 61.34 H new ATOM 0 HB ILE A 44 12.516 -12.218 -14.816 1.00 33.33 H new ATOM 0 HG12 ILE A 44 14.920 -12.265 -16.018 1.00 3.24 H new ATOM 0 HG13 ILE A 44 15.281 -11.075 -14.783 1.00 3.24 H new ATOM 0 HG21 ILE A 44 12.981 -11.800 -17.198 1.00 32.14 H new ATOM 0 HG22 ILE A 44 11.788 -10.650 -16.549 1.00 32.14 H new ATOM 0 HG23 ILE A 44 13.472 -10.135 -16.807 1.00 32.14 H new ATOM 0 HD11 ILE A 44 15.874 -13.326 -14.032 1.00 4.22 H new ATOM 0 HD12 ILE A 44 14.564 -12.658 -13.029 1.00 4.22 H new ATOM 0 HD13 ILE A 44 14.197 -13.867 -14.284 1.00 4.22 H new ATOM 702 N PHE A 45 11.362 -8.647 -14.975 1.00 33.45 N ATOM 703 CA PHE A 45 10.039 -8.064 -15.168 1.00 44.03 C ATOM 704 C PHE A 45 9.836 -7.649 -16.623 1.00 33.14 C ATOM 705 O PHE A 45 10.407 -6.661 -17.083 1.00 62.42 O ATOM 706 CB PHE A 45 9.853 -6.854 -14.250 1.00 72.32 C ATOM 707 CG PHE A 45 8.433 -6.368 -14.180 1.00 64.12 C ATOM 708 CD1 PHE A 45 7.675 -6.565 -13.038 1.00 21.35 C ATOM 709 CD2 PHE A 45 7.857 -5.714 -15.258 1.00 22.35 C ATOM 710 CE1 PHE A 45 6.369 -6.119 -12.970 1.00 13.24 C ATOM 711 CE2 PHE A 45 6.552 -5.265 -15.195 1.00 74.33 C ATOM 712 CZ PHE A 45 5.806 -5.469 -14.051 1.00 1.25 C ATOM 0 H PHE A 45 12.115 -8.154 -15.455 1.00 33.45 H new ATOM 0 HA PHE A 45 9.295 -8.820 -14.916 1.00 44.03 H new ATOM 0 HB2 PHE A 45 10.190 -7.114 -13.246 1.00 72.32 H new ATOM 0 HB3 PHE A 45 10.490 -6.041 -14.599 1.00 72.32 H new ATOM 0 HD1 PHE A 45 8.110 -7.073 -12.190 1.00 21.35 H new ATOM 0 HD2 PHE A 45 8.434 -5.554 -16.156 1.00 22.35 H new ATOM 0 HE1 PHE A 45 5.789 -6.278 -12.073 1.00 13.24 H new ATOM 0 HE2 PHE A 45 6.115 -4.754 -16.041 1.00 74.33 H new ATOM 0 HZ PHE A 45 4.785 -5.121 -14.002 1.00 1.25 H new ATOM 722 N ALA A 46 9.018 -8.412 -17.340 1.00 55.12 N ATOM 723 CA ALA A 46 8.737 -8.124 -18.741 1.00 52.21 C ATOM 724 C ALA A 46 10.023 -8.066 -19.558 1.00 41.31 C ATOM 725 O ALA A 46 10.113 -7.332 -20.542 1.00 33.33 O ATOM 726 CB ALA A 46 7.970 -6.816 -18.867 1.00 54.15 C ATOM 0 H ALA A 46 8.538 -9.234 -16.974 1.00 55.12 H new ATOM 0 HA ALA A 46 8.122 -8.933 -19.137 1.00 52.21 H new ATOM 0 HB1 ALA A 46 7.767 -6.613 -19.919 1.00 54.15 H new ATOM 0 HB2 ALA A 46 7.028 -6.893 -18.324 1.00 54.15 H new ATOM 0 HB3 ALA A 46 8.565 -6.004 -18.449 1.00 54.15 H new ATOM 732 N GLY A 47 11.018 -8.844 -19.143 1.00 62.02 N ATOM 733 CA GLY A 47 12.287 -8.865 -19.848 1.00 33.13 C ATOM 734 C GLY A 47 13.285 -7.880 -19.273 1.00 64.03 C ATOM 735 O GLY A 47 14.460 -7.887 -19.643 1.00 73.42 O ATOM 0 H GLY A 47 10.968 -9.460 -18.332 1.00 62.02 H new ATOM 0 HA2 GLY A 47 12.707 -9.870 -19.805 1.00 33.13 H new ATOM 0 HA3 GLY A 47 12.119 -8.635 -20.900 1.00 33.13 H new ATOM 739 N LYS A 48 12.819 -7.028 -18.367 1.00 51.41 N ATOM 740 CA LYS A 48 13.678 -6.031 -17.740 1.00 3.41 C ATOM 741 C LYS A 48 14.209 -6.535 -16.402 1.00 4.52 C ATOM 742 O LYS A 48 13.438 -6.910 -15.520 1.00 34.11 O ATOM 743 CB LYS A 48 12.912 -4.722 -17.536 1.00 54.12 C ATOM 744 CG LYS A 48 12.762 -3.901 -18.805 1.00 41.32 C ATOM 745 CD LYS A 48 11.740 -4.513 -19.748 1.00 52.32 C ATOM 746 CE LYS A 48 11.254 -3.502 -20.776 1.00 4.01 C ATOM 747 NZ LYS A 48 12.368 -2.997 -21.626 1.00 72.12 N ATOM 0 H LYS A 48 11.850 -7.008 -18.050 1.00 51.41 H new ATOM 0 HA LYS A 48 14.524 -5.850 -18.402 1.00 3.41 H new ATOM 0 HB2 LYS A 48 11.922 -4.948 -17.140 1.00 54.12 H new ATOM 0 HB3 LYS A 48 13.426 -4.123 -16.784 1.00 54.12 H new ATOM 0 HG2 LYS A 48 12.460 -2.886 -18.549 1.00 41.32 H new ATOM 0 HG3 LYS A 48 13.726 -3.829 -19.309 1.00 41.32 H new ATOM 0 HD2 LYS A 48 12.181 -5.369 -20.258 1.00 52.32 H new ATOM 0 HD3 LYS A 48 10.892 -4.886 -19.174 1.00 52.32 H new ATOM 0 HE2 LYS A 48 10.495 -3.963 -21.408 1.00 4.01 H new ATOM 0 HE3 LYS A 48 10.778 -2.665 -20.265 1.00 4.01 H new ATOM 0 HZ1 LYS A 48 11.981 -2.417 -22.398 1.00 72.12 H new ATOM 0 HZ2 LYS A 48 13.011 -2.419 -21.048 1.00 72.12 H new ATOM 0 HZ3 LYS A 48 12.891 -3.802 -22.027 1.00 72.12 H new ATOM 761 N GLN A 49 15.531 -6.538 -16.258 1.00 73.11 N ATOM 762 CA GLN A 49 16.164 -6.995 -15.027 1.00 35.24 C ATOM 763 C GLN A 49 16.141 -5.901 -13.964 1.00 73.22 C ATOM 764 O GLN A 49 16.514 -4.757 -14.228 1.00 25.54 O ATOM 765 CB GLN A 49 17.605 -7.428 -15.299 1.00 42.12 C ATOM 766 CG GLN A 49 17.714 -8.763 -16.018 1.00 42.23 C ATOM 767 CD GLN A 49 17.457 -8.646 -17.508 1.00 1.03 C ATOM 768 OE1 GLN A 49 16.340 -8.869 -17.976 1.00 65.51 O ATOM 769 NE2 GLN A 49 18.492 -8.294 -18.262 1.00 21.15 N ATOM 0 H GLN A 49 16.184 -6.229 -16.979 1.00 73.11 H new ATOM 0 HA GLN A 49 15.600 -7.850 -14.655 1.00 35.24 H new ATOM 0 HB2 GLN A 49 18.099 -6.662 -15.896 1.00 42.12 H new ATOM 0 HB3 GLN A 49 18.142 -7.490 -14.352 1.00 42.12 H new ATOM 0 HG2 GLN A 49 18.709 -9.178 -15.856 1.00 42.23 H new ATOM 0 HG3 GLN A 49 17.001 -9.464 -15.584 1.00 42.23 H new ATOM 0 HE21 GLN A 49 19.400 -8.119 -17.832 1.00 21.15 H new ATOM 0 HE22 GLN A 49 18.379 -8.199 -19.271 1.00 21.15 H new ATOM 778 N LEU A 50 15.700 -6.259 -12.763 1.00 54.13 N ATOM 779 CA LEU A 50 15.628 -5.307 -11.660 1.00 75.20 C ATOM 780 C LEU A 50 16.975 -5.188 -10.955 1.00 51.31 C ATOM 781 O LEU A 50 17.500 -6.169 -10.430 1.00 12.34 O ATOM 782 CB LEU A 50 14.552 -5.736 -10.660 1.00 62.01 C ATOM 783 CG LEU A 50 13.149 -5.945 -11.232 1.00 3.35 C ATOM 784 CD1 LEU A 50 12.816 -4.855 -12.239 1.00 32.31 C ATOM 785 CD2 LEU A 50 13.034 -7.320 -11.873 1.00 13.05 C ATOM 0 H LEU A 50 15.387 -7.201 -12.528 1.00 54.13 H new ATOM 0 HA LEU A 50 15.366 -4.332 -12.070 1.00 75.20 H new ATOM 0 HB2 LEU A 50 14.872 -6.665 -10.188 1.00 62.01 H new ATOM 0 HB3 LEU A 50 14.494 -4.983 -9.874 1.00 62.01 H new ATOM 0 HG LEU A 50 12.431 -5.887 -10.414 1.00 3.35 H new ATOM 0 HD11 LEU A 50 11.814 -5.020 -12.636 1.00 32.31 H new ATOM 0 HD12 LEU A 50 12.857 -3.882 -11.749 1.00 32.31 H new ATOM 0 HD13 LEU A 50 13.538 -4.881 -13.055 1.00 32.31 H new ATOM 0 HD21 LEU A 50 12.029 -7.451 -12.275 1.00 13.05 H new ATOM 0 HD22 LEU A 50 13.762 -7.407 -12.680 1.00 13.05 H new ATOM 0 HD23 LEU A 50 13.229 -8.088 -11.124 1.00 13.05 H new ATOM 797 N GLU A 51 17.527 -3.979 -10.947 1.00 5.43 N ATOM 798 CA GLU A 51 18.813 -3.732 -10.305 1.00 2.54 C ATOM 799 C GLU A 51 18.627 -3.007 -8.974 1.00 73.25 C ATOM 800 O GLU A 51 17.628 -2.319 -8.765 1.00 34.01 O ATOM 801 CB GLU A 51 19.718 -2.908 -11.224 1.00 35.01 C ATOM 802 CG GLU A 51 19.979 -3.565 -12.569 1.00 34.12 C ATOM 803 CD GLU A 51 20.577 -4.952 -12.434 1.00 50.12 C ATOM 804 OE1 GLU A 51 19.865 -5.935 -12.727 1.00 61.51 O ATOM 805 OE2 GLU A 51 21.756 -5.054 -12.036 1.00 41.21 O ATOM 0 H GLU A 51 17.105 -3.156 -11.377 1.00 5.43 H new ATOM 0 HA GLU A 51 19.284 -4.696 -10.112 1.00 2.54 H new ATOM 0 HB2 GLU A 51 19.262 -1.932 -11.388 1.00 35.01 H new ATOM 0 HB3 GLU A 51 20.670 -2.735 -10.723 1.00 35.01 H new ATOM 0 HG2 GLU A 51 19.044 -3.629 -13.125 1.00 34.12 H new ATOM 0 HG3 GLU A 51 20.654 -2.937 -13.151 1.00 34.12 H new ATOM 812 N ASP A 52 19.595 -3.168 -8.079 1.00 70.14 N ATOM 813 CA ASP A 52 19.539 -2.530 -6.769 1.00 40.24 C ATOM 814 C ASP A 52 19.395 -1.017 -6.908 1.00 34.55 C ATOM 815 O ASP A 52 18.772 -0.364 -6.070 1.00 70.32 O ATOM 816 CB ASP A 52 20.795 -2.863 -5.962 1.00 34.10 C ATOM 817 CG ASP A 52 22.021 -2.130 -6.470 1.00 32.42 C ATOM 818 OD1 ASP A 52 22.573 -2.547 -7.510 1.00 54.42 O ATOM 819 OD2 ASP A 52 22.428 -1.140 -5.827 1.00 64.52 O ATOM 0 H ASP A 52 20.428 -3.735 -8.237 1.00 70.14 H new ATOM 0 HA ASP A 52 18.666 -2.914 -6.242 1.00 40.24 H new ATOM 0 HB2 ASP A 52 20.630 -2.606 -4.916 1.00 34.10 H new ATOM 0 HB3 ASP A 52 20.975 -3.937 -6.002 1.00 34.10 H new ATOM 824 N SER A 53 19.975 -0.467 -7.969 1.00 70.22 N ATOM 825 CA SER A 53 19.915 0.969 -8.214 1.00 42.05 C ATOM 826 C SER A 53 18.522 1.383 -8.678 1.00 41.35 C ATOM 827 O SER A 53 18.168 2.562 -8.645 1.00 44.21 O ATOM 828 CB SER A 53 20.955 1.373 -9.262 1.00 31.34 C ATOM 829 OG SER A 53 22.246 0.913 -8.902 1.00 2.02 O ATOM 0 H SER A 53 20.492 -0.994 -8.673 1.00 70.22 H new ATOM 0 HA SER A 53 20.135 1.482 -7.278 1.00 42.05 H new ATOM 0 HB2 SER A 53 20.677 0.962 -10.233 1.00 31.34 H new ATOM 0 HB3 SER A 53 20.968 2.458 -9.367 1.00 31.34 H new ATOM 0 HG SER A 53 22.892 1.182 -9.588 1.00 2.02 H new ATOM 835 N LYS A 54 17.734 0.405 -9.112 1.00 24.13 N ATOM 836 CA LYS A 54 16.379 0.665 -9.582 1.00 31.40 C ATOM 837 C LYS A 54 15.350 0.229 -8.544 1.00 31.42 C ATOM 838 O LYS A 54 15.656 -0.547 -7.638 1.00 24.03 O ATOM 839 CB LYS A 54 16.127 -0.065 -10.903 1.00 71.42 C ATOM 840 CG LYS A 54 17.266 0.068 -11.899 1.00 22.02 C ATOM 841 CD LYS A 54 17.031 -0.786 -13.133 1.00 61.51 C ATOM 842 CE LYS A 54 18.246 -0.790 -14.048 1.00 22.41 C ATOM 843 NZ LYS A 54 18.436 0.523 -14.723 1.00 44.30 N ATOM 0 H LYS A 54 18.011 -0.576 -9.148 1.00 24.13 H new ATOM 0 HA LYS A 54 16.276 1.738 -9.741 1.00 31.40 H new ATOM 0 HB2 LYS A 54 15.957 -1.122 -10.698 1.00 71.42 H new ATOM 0 HB3 LYS A 54 15.214 0.323 -11.354 1.00 71.42 H new ATOM 0 HG2 LYS A 54 17.373 1.112 -12.193 1.00 22.02 H new ATOM 0 HG3 LYS A 54 18.202 -0.227 -11.424 1.00 22.02 H new ATOM 0 HD2 LYS A 54 16.798 -1.807 -12.831 1.00 61.51 H new ATOM 0 HD3 LYS A 54 16.165 -0.410 -13.678 1.00 61.51 H new ATOM 0 HE2 LYS A 54 19.137 -1.032 -13.468 1.00 22.41 H new ATOM 0 HE3 LYS A 54 18.132 -1.572 -14.799 1.00 22.41 H new ATOM 0 HZ1 LYS A 54 19.274 0.479 -15.337 1.00 44.30 H new ATOM 0 HZ2 LYS A 54 17.597 0.743 -15.297 1.00 44.30 H new ATOM 0 HZ3 LYS A 54 18.570 1.265 -14.007 1.00 44.30 H new ATOM 857 N THR A 55 14.127 0.731 -8.682 1.00 52.11 N ATOM 858 CA THR A 55 13.053 0.393 -7.757 1.00 13.32 C ATOM 859 C THR A 55 11.705 0.359 -8.468 1.00 12.20 C ATOM 860 O THR A 55 11.605 0.705 -9.645 1.00 34.42 O ATOM 861 CB THR A 55 12.980 1.397 -6.590 1.00 73.25 C ATOM 862 OG1 THR A 55 12.793 2.723 -7.096 1.00 53.34 O ATOM 863 CG2 THR A 55 14.247 1.343 -5.750 1.00 53.12 C ATOM 0 H THR A 55 13.856 1.374 -9.426 1.00 52.11 H new ATOM 0 HA THR A 55 13.277 -0.598 -7.361 1.00 13.32 H new ATOM 0 HB THR A 55 12.133 1.127 -5.959 1.00 73.25 H new ATOM 0 HG1 THR A 55 12.746 3.355 -6.348 1.00 53.34 H new ATOM 0 HG21 THR A 55 14.172 2.060 -4.933 1.00 53.12 H new ATOM 0 HG22 THR A 55 14.371 0.340 -5.342 1.00 53.12 H new ATOM 0 HG23 THR A 55 15.107 1.590 -6.372 1.00 53.12 H new ATOM 871 N MET A 56 10.670 -0.059 -7.746 1.00 4.22 N ATOM 872 CA MET A 56 9.327 -0.136 -8.309 1.00 2.24 C ATOM 873 C MET A 56 8.877 1.226 -8.828 1.00 73.21 C ATOM 874 O MET A 56 8.174 1.315 -9.835 1.00 24.13 O ATOM 875 CB MET A 56 8.339 -0.646 -7.258 1.00 23.12 C ATOM 876 CG MET A 56 8.293 -2.162 -7.153 1.00 55.21 C ATOM 877 SD MET A 56 8.076 -2.735 -5.457 1.00 40.42 S ATOM 878 CE MET A 56 9.022 -4.255 -5.490 1.00 74.42 C ATOM 0 H MET A 56 10.736 -0.349 -6.770 1.00 4.22 H new ATOM 0 HA MET A 56 9.350 -0.835 -9.145 1.00 2.24 H new ATOM 0 HB2 MET A 56 8.608 -0.231 -6.287 1.00 23.12 H new ATOM 0 HB3 MET A 56 7.342 -0.276 -7.498 1.00 23.12 H new ATOM 0 HG2 MET A 56 7.476 -2.540 -7.767 1.00 55.21 H new ATOM 0 HG3 MET A 56 9.215 -2.578 -7.558 1.00 55.21 H new ATOM 0 HE1 MET A 56 8.346 -5.106 -5.407 1.00 74.42 H new ATOM 0 HE2 MET A 56 9.573 -4.320 -6.428 1.00 74.42 H new ATOM 0 HE3 MET A 56 9.723 -4.265 -4.655 1.00 74.42 H new ATOM 888 N ALA A 57 9.285 2.283 -8.135 1.00 0.52 N ATOM 889 CA ALA A 57 8.924 3.640 -8.528 1.00 5.13 C ATOM 890 C ALA A 57 9.633 4.045 -9.816 1.00 0.22 C ATOM 891 O ALA A 57 9.111 4.837 -10.600 1.00 55.31 O ATOM 892 CB ALA A 57 9.256 4.619 -7.411 1.00 34.33 C ATOM 0 H ALA A 57 9.866 2.226 -7.298 1.00 0.52 H new ATOM 0 HA ALA A 57 7.850 3.665 -8.711 1.00 5.13 H new ATOM 0 HB1 ALA A 57 8.981 5.628 -7.718 1.00 34.33 H new ATOM 0 HB2 ALA A 57 8.700 4.349 -6.513 1.00 34.33 H new ATOM 0 HB3 ALA A 57 10.325 4.582 -7.201 1.00 34.33 H new ATOM 898 N ASP A 58 10.825 3.498 -10.027 1.00 73.32 N ATOM 899 CA ASP A 58 11.605 3.802 -11.221 1.00 1.00 C ATOM 900 C ASP A 58 11.013 3.114 -12.447 1.00 50.32 C ATOM 901 O ASP A 58 10.903 3.715 -13.516 1.00 42.41 O ATOM 902 CB ASP A 58 13.059 3.368 -11.030 1.00 3.20 C ATOM 903 CG ASP A 58 13.694 3.993 -9.803 1.00 55.31 C ATOM 904 OD1 ASP A 58 14.632 3.386 -9.245 1.00 50.34 O ATOM 905 OD2 ASP A 58 13.252 5.090 -9.401 1.00 61.20 O ATOM 0 H ASP A 58 11.272 2.842 -9.387 1.00 73.32 H new ATOM 0 HA ASP A 58 11.573 4.880 -11.381 1.00 1.00 H new ATOM 0 HB2 ASP A 58 13.103 2.282 -10.945 1.00 3.20 H new ATOM 0 HB3 ASP A 58 13.636 3.642 -11.913 1.00 3.20 H new ATOM 910 N TYR A 59 10.634 1.852 -12.285 1.00 61.55 N ATOM 911 CA TYR A 59 10.056 1.081 -13.380 1.00 64.31 C ATOM 912 C TYR A 59 8.558 1.340 -13.497 1.00 54.05 C ATOM 913 O TYR A 59 7.905 0.863 -14.425 1.00 12.33 O ATOM 914 CB TYR A 59 10.312 -0.413 -13.170 1.00 40.24 C ATOM 915 CG TYR A 59 11.660 -0.874 -13.678 1.00 54.41 C ATOM 916 CD1 TYR A 59 12.535 -1.568 -12.852 1.00 35.42 C ATOM 917 CD2 TYR A 59 12.059 -0.614 -14.983 1.00 55.43 C ATOM 918 CE1 TYR A 59 13.767 -1.991 -13.311 1.00 1.20 C ATOM 919 CE2 TYR A 59 13.288 -1.033 -15.451 1.00 65.54 C ATOM 920 CZ TYR A 59 14.139 -1.721 -14.611 1.00 63.55 C ATOM 921 OH TYR A 59 15.366 -2.140 -15.074 1.00 31.24 O ATOM 0 H TYR A 59 10.716 1.341 -11.406 1.00 61.55 H new ATOM 0 HA TYR A 59 10.534 1.398 -14.307 1.00 64.31 H new ATOM 0 HB2 TYR A 59 10.237 -0.640 -12.107 1.00 40.24 H new ATOM 0 HB3 TYR A 59 9.530 -0.981 -13.673 1.00 40.24 H new ATOM 0 HD1 TYR A 59 12.247 -1.781 -11.833 1.00 35.42 H new ATOM 0 HD2 TYR A 59 11.396 -0.075 -15.643 1.00 55.43 H new ATOM 0 HE1 TYR A 59 14.435 -2.530 -12.656 1.00 1.20 H new ATOM 0 HE2 TYR A 59 13.582 -0.823 -16.469 1.00 65.54 H new ATOM 0 HH TYR A 59 15.578 -3.016 -14.691 1.00 31.24 H new ATOM 931 N ASN A 60 8.019 2.100 -12.550 1.00 3.45 N ATOM 932 CA ASN A 60 6.597 2.424 -12.545 1.00 43.43 C ATOM 933 C ASN A 60 5.751 1.159 -12.439 1.00 4.34 C ATOM 934 O ASN A 60 4.674 1.070 -13.027 1.00 74.23 O ATOM 935 CB ASN A 60 6.225 3.195 -13.814 1.00 32.04 C ATOM 936 CG ASN A 60 7.224 4.288 -14.140 1.00 51.13 C ATOM 937 OD1 ASN A 60 7.810 4.306 -15.223 1.00 74.40 O ATOM 938 ND2 ASN A 60 7.423 5.207 -13.203 1.00 10.04 N ATOM 0 H ASN A 60 8.546 2.504 -11.775 1.00 3.45 H new ATOM 0 HA ASN A 60 6.395 3.049 -11.675 1.00 43.43 H new ATOM 0 HB2 ASN A 60 6.163 2.501 -14.652 1.00 32.04 H new ATOM 0 HB3 ASN A 60 5.236 3.636 -13.691 1.00 32.04 H new ATOM 0 HD21 ASN A 60 8.083 5.967 -13.366 1.00 10.04 H new ATOM 0 HD22 ASN A 60 6.915 5.153 -12.320 1.00 10.04 H new ATOM 945 N ILE A 61 6.247 0.185 -11.684 1.00 21.34 N ATOM 946 CA ILE A 61 5.536 -1.074 -11.498 1.00 62.24 C ATOM 947 C ILE A 61 4.988 -1.192 -10.080 1.00 71.54 C ATOM 948 O ILE A 61 5.748 -1.285 -9.117 1.00 30.01 O ATOM 949 CB ILE A 61 6.446 -2.283 -11.787 1.00 44.52 C ATOM 950 CG1 ILE A 61 7.813 -2.088 -11.128 1.00 23.24 C ATOM 951 CG2 ILE A 61 6.600 -2.483 -13.287 1.00 71.44 C ATOM 952 CD1 ILE A 61 8.762 -3.245 -11.351 1.00 32.33 C ATOM 0 H ILE A 61 7.138 0.243 -11.191 1.00 21.34 H new ATOM 0 HA ILE A 61 4.708 -1.076 -12.206 1.00 62.24 H new ATOM 0 HB ILE A 61 5.984 -3.176 -11.366 1.00 44.52 H new ATOM 0 HG12 ILE A 61 8.267 -1.176 -11.515 1.00 23.24 H new ATOM 0 HG13 ILE A 61 7.674 -1.944 -10.057 1.00 23.24 H new ATOM 0 HG21 ILE A 61 7.246 -3.341 -13.475 1.00 71.44 H new ATOM 0 HG22 ILE A 61 5.621 -2.661 -13.733 1.00 71.44 H new ATOM 0 HG23 ILE A 61 7.044 -1.591 -13.729 1.00 71.44 H new ATOM 0 HD11 ILE A 61 9.711 -3.038 -10.856 1.00 32.33 H new ATOM 0 HD12 ILE A 61 8.328 -4.156 -10.938 1.00 32.33 H new ATOM 0 HD13 ILE A 61 8.931 -3.376 -12.420 1.00 32.33 H new ATOM 964 N GLN A 62 3.664 -1.190 -9.962 1.00 22.44 N ATOM 965 CA GLN A 62 3.014 -1.299 -8.661 1.00 3.32 C ATOM 966 C GLN A 62 1.582 -1.802 -8.808 1.00 1.00 C ATOM 967 O GLN A 62 1.143 -2.145 -9.906 1.00 31.22 O ATOM 968 CB GLN A 62 3.021 0.056 -7.949 1.00 71.55 C ATOM 969 CG GLN A 62 4.314 0.345 -7.205 1.00 2.31 C ATOM 970 CD GLN A 62 4.171 1.475 -6.205 1.00 1.43 C ATOM 971 OE1 GLN A 62 3.114 1.653 -5.599 1.00 1.43 O ATOM 972 NE2 GLN A 62 5.237 2.247 -6.026 1.00 62.21 N ATOM 0 H GLN A 62 3.021 -1.114 -10.750 1.00 22.44 H new ATOM 0 HA GLN A 62 3.573 -2.019 -8.063 1.00 3.32 H new ATOM 0 HB2 GLN A 62 2.850 0.844 -8.683 1.00 71.55 H new ATOM 0 HB3 GLN A 62 2.190 0.091 -7.244 1.00 71.55 H new ATOM 0 HG2 GLN A 62 4.639 -0.556 -6.685 1.00 2.31 H new ATOM 0 HG3 GLN A 62 5.094 0.597 -7.924 1.00 2.31 H new ATOM 0 HE21 GLN A 62 6.093 2.064 -6.549 1.00 62.21 H new ATOM 0 HE22 GLN A 62 5.199 3.023 -5.365 1.00 62.21 H new ATOM 981 N LYS A 63 0.858 -1.844 -7.695 1.00 13.01 N ATOM 982 CA LYS A 63 -0.526 -2.304 -7.699 1.00 23.43 C ATOM 983 C LYS A 63 -0.611 -3.769 -8.118 1.00 3.40 C ATOM 984 O LYS A 63 -1.029 -4.081 -9.232 1.00 54.41 O ATOM 985 CB LYS A 63 -1.369 -1.443 -8.642 1.00 21.12 C ATOM 986 CG LYS A 63 -1.310 0.041 -8.326 1.00 2.41 C ATOM 987 CD LYS A 63 -1.368 0.883 -9.590 1.00 15.14 C ATOM 988 CE LYS A 63 -0.008 0.972 -10.264 1.00 0.12 C ATOM 989 NZ LYS A 63 0.005 1.986 -11.355 1.00 23.34 N ATOM 0 H LYS A 63 1.207 -1.565 -6.778 1.00 13.01 H new ATOM 0 HA LYS A 63 -0.917 -2.211 -6.686 1.00 23.43 H new ATOM 0 HB2 LYS A 63 -1.030 -1.602 -9.666 1.00 21.12 H new ATOM 0 HB3 LYS A 63 -2.406 -1.775 -8.594 1.00 21.12 H new ATOM 0 HG2 LYS A 63 -2.140 0.308 -7.672 1.00 2.41 H new ATOM 0 HG3 LYS A 63 -0.391 0.262 -7.782 1.00 2.41 H new ATOM 0 HD2 LYS A 63 -2.091 0.452 -10.283 1.00 15.14 H new ATOM 0 HD3 LYS A 63 -1.720 1.885 -9.345 1.00 15.14 H new ATOM 0 HE2 LYS A 63 0.749 1.227 -9.522 1.00 0.12 H new ATOM 0 HE3 LYS A 63 0.260 -0.003 -10.671 1.00 0.12 H new ATOM 0 HZ1 LYS A 63 0.949 2.016 -11.789 1.00 23.34 H new ATOM 0 HZ2 LYS A 63 -0.700 1.730 -12.076 1.00 23.34 H new ATOM 0 HZ3 LYS A 63 -0.226 2.921 -10.963 1.00 23.34 H new ATOM 1003 N GLU A 64 -0.212 -4.661 -7.217 1.00 60.54 N ATOM 1004 CA GLU A 64 -0.244 -6.093 -7.495 1.00 54.44 C ATOM 1005 C GLU A 64 0.686 -6.443 -8.653 1.00 23.22 C ATOM 1006 O GLU A 64 0.501 -7.456 -9.327 1.00 60.13 O ATOM 1007 CB GLU A 64 -1.671 -6.539 -7.821 1.00 33.34 C ATOM 1008 CG GLU A 64 -2.729 -5.878 -6.953 1.00 22.14 C ATOM 1009 CD GLU A 64 -4.074 -6.571 -7.043 1.00 75.21 C ATOM 1010 OE1 GLU A 64 -5.080 -5.973 -6.606 1.00 42.41 O ATOM 1011 OE2 GLU A 64 -4.123 -7.711 -7.550 1.00 65.21 O ATOM 0 H GLU A 64 0.137 -4.418 -6.290 1.00 60.54 H new ATOM 0 HA GLU A 64 0.099 -6.618 -6.604 1.00 54.44 H new ATOM 0 HB2 GLU A 64 -1.882 -6.318 -8.867 1.00 33.34 H new ATOM 0 HB3 GLU A 64 -1.740 -7.620 -7.703 1.00 33.34 H new ATOM 0 HG2 GLU A 64 -2.394 -5.877 -5.916 1.00 22.14 H new ATOM 0 HG3 GLU A 64 -2.841 -4.836 -7.253 1.00 22.14 H new ATOM 1018 N SER A 65 1.687 -5.598 -8.877 1.00 1.34 N ATOM 1019 CA SER A 65 2.645 -5.815 -9.955 1.00 13.13 C ATOM 1020 C SER A 65 3.197 -7.236 -9.912 1.00 60.55 C ATOM 1021 O SER A 65 3.619 -7.721 -8.862 1.00 34.22 O ATOM 1022 CB SER A 65 3.792 -4.807 -9.858 1.00 15.05 C ATOM 1023 OG SER A 65 3.891 -4.033 -11.040 1.00 45.41 O ATOM 0 H SER A 65 1.856 -4.756 -8.326 1.00 1.34 H new ATOM 0 HA SER A 65 2.126 -5.673 -10.903 1.00 13.13 H new ATOM 0 HB2 SER A 65 3.633 -4.151 -9.002 1.00 15.05 H new ATOM 0 HB3 SER A 65 4.730 -5.334 -9.685 1.00 15.05 H new ATOM 0 HG SER A 65 4.361 -4.547 -11.729 1.00 45.41 H new ATOM 1029 N THR A 66 3.192 -7.901 -11.064 1.00 34.22 N ATOM 1030 CA THR A 66 3.690 -9.267 -11.160 1.00 62.30 C ATOM 1031 C THR A 66 5.200 -9.288 -11.369 1.00 70.12 C ATOM 1032 O THR A 66 5.698 -8.868 -12.414 1.00 42.43 O ATOM 1033 CB THR A 66 3.013 -10.033 -12.313 1.00 0.34 C ATOM 1034 OG1 THR A 66 1.589 -9.966 -12.175 1.00 23.20 O ATOM 1035 CG2 THR A 66 3.458 -11.487 -12.332 1.00 25.14 C ATOM 0 H THR A 66 2.848 -7.515 -11.943 1.00 34.22 H new ATOM 0 HA THR A 66 3.449 -9.758 -10.217 1.00 62.30 H new ATOM 0 HB THR A 66 3.309 -9.567 -13.253 1.00 0.34 H new ATOM 0 HG1 THR A 66 1.166 -10.454 -12.912 1.00 23.20 H new ATOM 0 HG21 THR A 66 2.967 -12.007 -13.154 1.00 25.14 H new ATOM 0 HG22 THR A 66 4.539 -11.535 -12.466 1.00 25.14 H new ATOM 0 HG23 THR A 66 3.188 -11.963 -11.389 1.00 25.14 H new ATOM 1043 N LEU A 67 5.924 -9.780 -10.370 1.00 61.11 N ATOM 1044 CA LEU A 67 7.379 -9.857 -10.445 1.00 40.41 C ATOM 1045 C LEU A 67 7.846 -11.308 -10.494 1.00 2.22 C ATOM 1046 O LEU A 67 7.107 -12.222 -10.127 1.00 0.35 O ATOM 1047 CB LEU A 67 8.009 -9.146 -9.246 1.00 22.01 C ATOM 1048 CG LEU A 67 9.392 -8.536 -9.478 1.00 21.21 C ATOM 1049 CD1 LEU A 67 9.271 -7.070 -9.865 1.00 21.45 C ATOM 1050 CD2 LEU A 67 10.259 -8.693 -8.237 1.00 11.41 C ATOM 0 H LEU A 67 5.528 -10.132 -9.498 1.00 61.11 H new ATOM 0 HA LEU A 67 7.698 -9.362 -11.362 1.00 40.41 H new ATOM 0 HB2 LEU A 67 7.334 -8.353 -8.923 1.00 22.01 H new ATOM 0 HB3 LEU A 67 8.081 -9.858 -8.424 1.00 22.01 H new ATOM 0 HG LEU A 67 9.870 -9.069 -10.300 1.00 21.21 H new ATOM 0 HD11 LEU A 67 10.265 -6.653 -10.026 1.00 21.45 H new ATOM 0 HD12 LEU A 67 8.688 -6.983 -10.782 1.00 21.45 H new ATOM 0 HD13 LEU A 67 8.773 -6.522 -9.065 1.00 21.45 H new ATOM 0 HD21 LEU A 67 11.239 -8.253 -8.420 1.00 11.41 H new ATOM 0 HD22 LEU A 67 9.786 -8.187 -7.396 1.00 11.41 H new ATOM 0 HD23 LEU A 67 10.374 -9.752 -8.005 1.00 11.41 H new ATOM 1062 N HIS A 68 9.079 -11.512 -10.948 1.00 33.53 N ATOM 1063 CA HIS A 68 9.646 -12.853 -11.042 1.00 1.14 C ATOM 1064 C HIS A 68 10.661 -13.093 -9.928 1.00 11.41 C ATOM 1065 O HIS A 68 11.503 -12.240 -9.648 1.00 52.33 O ATOM 1066 CB HIS A 68 10.310 -13.054 -12.404 1.00 72.42 C ATOM 1067 CG HIS A 68 9.349 -13.005 -13.552 1.00 14.42 C ATOM 1068 ND1 HIS A 68 8.362 -12.125 -13.842 1.00 1.01 N flip ATOM 1069 CD2 HIS A 68 9.337 -13.940 -14.565 1.00 74.25 C flip ATOM 1070 CE1 HIS A 68 7.779 -12.540 -15.014 1.00 72.10 C flip ATOM 1071 NE2 HIS A 68 8.386 -13.637 -15.430 1.00 75.24 N flip ATOM 0 H HIS A 68 9.704 -10.767 -11.256 1.00 33.53 H new ATOM 0 HA HIS A 68 8.835 -13.572 -10.932 1.00 1.14 H new ATOM 0 HB2 HIS A 68 11.071 -12.286 -12.545 1.00 72.42 H new ATOM 0 HB3 HIS A 68 10.823 -14.016 -12.411 1.00 72.42 H new ATOM 0 HD2 HIS A 68 10.002 -14.788 -14.640 1.00 74.25 H new ATOM 0 HE1 HIS A 68 6.957 -12.049 -15.514 1.00 72.10 H new ATOM 0 HE2 HIS A 68 8.159 -14.161 -16.275 1.00 75.24 H new ATOM 1079 N MET A 69 10.574 -14.258 -9.295 1.00 71.34 N ATOM 1080 CA MET A 69 11.485 -14.610 -8.212 1.00 42.44 C ATOM 1081 C MET A 69 12.043 -16.016 -8.406 1.00 44.23 C ATOM 1082 O MET A 69 11.301 -16.998 -8.382 1.00 44.24 O ATOM 1083 CB MET A 69 10.769 -14.514 -6.864 1.00 4.23 C ATOM 1084 CG MET A 69 11.694 -14.166 -5.708 1.00 60.04 C ATOM 1085 SD MET A 69 12.709 -15.562 -5.187 1.00 0.04 S ATOM 1086 CE MET A 69 11.843 -16.075 -3.705 1.00 4.33 C ATOM 0 H MET A 69 9.882 -14.975 -9.513 1.00 71.34 H new ATOM 0 HA MET A 69 12.316 -13.904 -8.225 1.00 42.44 H new ATOM 0 HB2 MET A 69 9.985 -13.760 -6.931 1.00 4.23 H new ATOM 0 HB3 MET A 69 10.279 -15.465 -6.653 1.00 4.23 H new ATOM 0 HG2 MET A 69 12.342 -13.340 -6.002 1.00 60.04 H new ATOM 0 HG3 MET A 69 11.099 -13.819 -4.863 1.00 60.04 H new ATOM 0 HE1 MET A 69 12.443 -16.811 -3.170 1.00 4.33 H new ATOM 0 HE2 MET A 69 11.674 -15.210 -3.064 1.00 4.33 H new ATOM 0 HE3 MET A 69 10.885 -16.517 -3.978 1.00 4.33 H new ATOM 1096 N VAL A 70 13.356 -16.106 -8.599 1.00 13.54 N ATOM 1097 CA VAL A 70 14.013 -17.392 -8.796 1.00 2.21 C ATOM 1098 C VAL A 70 15.125 -17.603 -7.774 1.00 60.03 C ATOM 1099 O VAL A 70 15.644 -16.646 -7.199 1.00 4.23 O ATOM 1100 CB VAL A 70 14.605 -17.508 -10.213 1.00 75.43 C ATOM 1101 CG1 VAL A 70 13.498 -17.698 -11.240 1.00 0.33 C ATOM 1102 CG2 VAL A 70 15.444 -16.283 -10.542 1.00 62.43 C ATOM 0 H VAL A 70 13.985 -15.303 -8.623 1.00 13.54 H new ATOM 0 HA VAL A 70 13.251 -18.160 -8.664 1.00 2.21 H new ATOM 0 HB VAL A 70 15.254 -18.383 -10.247 1.00 75.43 H new ATOM 0 HG11 VAL A 70 13.935 -17.778 -12.235 1.00 0.33 H new ATOM 0 HG12 VAL A 70 12.943 -18.608 -11.013 1.00 0.33 H new ATOM 0 HG13 VAL A 70 12.822 -16.844 -11.208 1.00 0.33 H new ATOM 0 HG21 VAL A 70 15.854 -16.382 -11.547 1.00 62.43 H new ATOM 0 HG22 VAL A 70 14.820 -15.391 -10.491 1.00 62.43 H new ATOM 0 HG23 VAL A 70 16.260 -16.197 -9.824 1.00 62.43 H new ATOM 1112 N LEU A 71 15.487 -18.862 -7.554 1.00 34.13 N ATOM 1113 CA LEU A 71 16.539 -19.200 -6.601 1.00 75.31 C ATOM 1114 C LEU A 71 17.661 -19.976 -7.283 1.00 4.35 C ATOM 1115 O LEU A 71 17.422 -21.000 -7.922 1.00 64.03 O ATOM 1116 CB LEU A 71 15.963 -20.022 -5.447 1.00 21.44 C ATOM 1117 CG LEU A 71 14.937 -19.312 -4.563 1.00 73.42 C ATOM 1118 CD1 LEU A 71 14.118 -20.325 -3.777 1.00 52.53 C ATOM 1119 CD2 LEU A 71 15.627 -18.336 -3.622 1.00 25.30 C ATOM 0 H LEU A 71 15.068 -19.666 -8.022 1.00 34.13 H new ATOM 0 HA LEU A 71 16.952 -18.271 -6.207 1.00 75.31 H new ATOM 0 HB2 LEU A 71 15.498 -20.917 -5.861 1.00 21.44 H new ATOM 0 HB3 LEU A 71 16.788 -20.354 -4.817 1.00 21.44 H new ATOM 0 HG LEU A 71 14.261 -18.748 -5.206 1.00 73.42 H new ATOM 0 HD11 LEU A 71 13.393 -19.802 -3.154 1.00 52.53 H new ATOM 0 HD12 LEU A 71 13.593 -20.984 -4.469 1.00 52.53 H new ATOM 0 HD13 LEU A 71 14.780 -20.916 -3.145 1.00 52.53 H new ATOM 0 HD21 LEU A 71 14.881 -17.840 -3.001 1.00 25.30 H new ATOM 0 HD22 LEU A 71 16.327 -18.877 -2.986 1.00 25.30 H new ATOM 0 HD23 LEU A 71 16.168 -17.590 -4.204 1.00 25.30 H new ATOM 1131 N ARG A 72 18.887 -19.481 -7.139 1.00 33.40 N ATOM 1132 CA ARG A 72 20.047 -20.128 -7.740 1.00 32.43 C ATOM 1133 C ARG A 72 20.927 -20.768 -6.670 1.00 70.51 C ATOM 1134 O ARG A 72 21.149 -20.190 -5.605 1.00 73.14 O ATOM 1135 CB ARG A 72 20.861 -19.116 -8.547 1.00 4.34 C ATOM 1136 CG ARG A 72 21.627 -19.734 -9.705 1.00 24.35 C ATOM 1137 CD ARG A 72 23.019 -20.176 -9.279 1.00 70.11 C ATOM 1138 NE ARG A 72 23.958 -20.178 -10.397 1.00 62.55 N ATOM 1139 CZ ARG A 72 25.162 -20.738 -10.345 1.00 0.51 C ATOM 1140 NH1 ARG A 72 25.571 -21.336 -9.235 1.00 34.51 N ATOM 1141 NH2 ARG A 72 25.960 -20.699 -11.405 1.00 12.44 N ATOM 0 H ARG A 72 19.102 -18.635 -6.612 1.00 33.40 H new ATOM 0 HA ARG A 72 19.689 -20.911 -8.408 1.00 32.43 H new ATOM 0 HB2 ARG A 72 20.190 -18.349 -8.934 1.00 4.34 H new ATOM 0 HB3 ARG A 72 21.566 -18.616 -7.882 1.00 4.34 H new ATOM 0 HG2 ARG A 72 21.075 -20.590 -10.092 1.00 24.35 H new ATOM 0 HG3 ARG A 72 21.706 -19.012 -10.517 1.00 24.35 H new ATOM 0 HD2 ARG A 72 23.387 -19.511 -8.497 1.00 70.11 H new ATOM 0 HD3 ARG A 72 22.966 -21.176 -8.848 1.00 70.11 H new ATOM 0 HE ARG A 72 23.674 -19.725 -11.266 1.00 62.55 H new ATOM 0 HH11 ARG A 72 24.961 -21.367 -8.418 1.00 34.51 H new ATOM 0 HH12 ARG A 72 26.496 -21.765 -9.198 1.00 34.51 H new ATOM 0 HH21 ARG A 72 25.649 -20.239 -12.261 1.00 12.44 H new ATOM 0 HH22 ARG A 72 26.884 -21.129 -11.364 1.00 12.44 H new ATOM 1155 N LEU A 73 21.425 -21.965 -6.960 1.00 24.21 N ATOM 1156 CA LEU A 73 22.281 -22.685 -6.023 1.00 42.11 C ATOM 1157 C LEU A 73 23.194 -23.660 -6.759 1.00 23.53 C ATOM 1158 O LEU A 73 23.129 -23.786 -7.982 1.00 14.33 O ATOM 1159 CB LEU A 73 21.430 -23.438 -5.000 1.00 20.35 C ATOM 1160 CG LEU A 73 20.609 -24.609 -5.541 1.00 23.40 C ATOM 1161 CD1 LEU A 73 20.257 -25.577 -4.422 1.00 25.21 C ATOM 1162 CD2 LEU A 73 19.349 -24.105 -6.228 1.00 13.40 C ATOM 0 H LEU A 73 21.251 -22.457 -7.836 1.00 24.21 H new ATOM 0 HA LEU A 73 22.903 -21.956 -5.503 1.00 42.11 H new ATOM 0 HB2 LEU A 73 22.088 -23.813 -4.216 1.00 20.35 H new ATOM 0 HB3 LEU A 73 20.748 -22.728 -4.532 1.00 20.35 H new ATOM 0 HG LEU A 73 21.212 -25.141 -6.277 1.00 23.40 H new ATOM 0 HD11 LEU A 73 19.673 -26.404 -4.826 1.00 25.21 H new ATOM 0 HD12 LEU A 73 21.172 -25.964 -3.975 1.00 25.21 H new ATOM 0 HD13 LEU A 73 19.673 -25.058 -3.662 1.00 25.21 H new ATOM 0 HD21 LEU A 73 18.777 -24.952 -6.607 1.00 13.40 H new ATOM 0 HD22 LEU A 73 18.743 -23.549 -5.513 1.00 13.40 H new ATOM 0 HD23 LEU A 73 19.623 -23.452 -7.057 1.00 13.40 H new ATOM 1174 N ARG A 74 24.044 -24.351 -6.005 1.00 51.31 N ATOM 1175 CA ARG A 74 24.970 -25.316 -6.585 1.00 75.15 C ATOM 1176 C ARG A 74 24.341 -26.705 -6.644 1.00 34.13 C ATOM 1177 O ARG A 74 24.168 -27.275 -7.720 1.00 65.13 O ATOM 1178 CB ARG A 74 26.265 -25.365 -5.773 1.00 51.31 C ATOM 1179 CG ARG A 74 27.490 -25.718 -6.601 1.00 31.04 C ATOM 1180 CD ARG A 74 27.602 -27.219 -6.816 1.00 64.13 C ATOM 1181 NE ARG A 74 27.921 -27.928 -5.579 1.00 55.55 N ATOM 1182 CZ ARG A 74 28.160 -29.233 -5.521 1.00 0.21 C ATOM 1183 NH1 ARG A 74 28.118 -29.968 -6.623 1.00 41.15 N ATOM 1184 NH2 ARG A 74 28.443 -29.805 -4.358 1.00 33.23 N ATOM 0 H ARG A 74 24.110 -24.260 -4.991 1.00 51.31 H new ATOM 0 HA ARG A 74 25.199 -24.996 -7.601 1.00 75.15 H new ATOM 0 HB2 ARG A 74 26.424 -24.396 -5.299 1.00 51.31 H new ATOM 0 HB3 ARG A 74 26.155 -26.097 -4.973 1.00 51.31 H new ATOM 0 HG2 ARG A 74 27.436 -25.214 -7.566 1.00 31.04 H new ATOM 0 HG3 ARG A 74 28.387 -25.353 -6.100 1.00 31.04 H new ATOM 0 HD2 ARG A 74 26.663 -27.598 -7.219 1.00 64.13 H new ATOM 0 HD3 ARG A 74 28.373 -27.422 -7.559 1.00 64.13 H new ATOM 0 HE ARG A 74 27.962 -27.391 -4.713 1.00 55.55 H new ATOM 0 HH11 ARG A 74 27.902 -29.532 -7.519 1.00 41.15 H new ATOM 0 HH12 ARG A 74 28.302 -30.970 -6.575 1.00 41.15 H new ATOM 0 HH21 ARG A 74 28.477 -29.242 -3.508 1.00 33.23 H new ATOM 0 HH22 ARG A 74 28.626 -30.807 -4.314 1.00 33.23 H new ATOM 1198 N GLY A 75 24.000 -27.245 -5.477 1.00 50.51 N ATOM 1199 CA GLY A 75 23.395 -28.562 -5.418 1.00 32.24 C ATOM 1200 C GLY A 75 22.841 -28.885 -4.044 1.00 4.53 C ATOM 1201 O GLY A 75 22.877 -28.050 -3.141 1.00 3.32 O ATOM 0 H GLY A 75 24.132 -26.793 -4.572 1.00 50.51 H new ATOM 0 HA2 GLY A 75 22.593 -28.623 -6.153 1.00 32.24 H new ATOM 0 HA3 GLY A 75 24.137 -29.312 -5.693 1.00 32.24 H new ATOM 1205 N GLY A 76 22.326 -30.100 -3.885 1.00 53.11 N ATOM 1206 CA GLY A 76 21.768 -30.508 -2.609 1.00 72.21 C ATOM 1207 C GLY A 76 22.594 -31.583 -1.932 1.00 64.53 C ATOM 1208 O GLY A 76 22.980 -31.441 -0.772 1.00 43.12 O ATOM 0 H GLY A 76 22.285 -30.809 -4.617 1.00 53.11 H new ATOM 0 HA2 GLY A 76 21.698 -29.641 -1.953 1.00 72.21 H new ATOM 0 HA3 GLY A 76 20.753 -30.876 -2.761 1.00 72.21 H new TER 1212 GLY A 76