USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 619 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 78 ASN : amide:sc= -3.52 K(o=-3.5,f=-5!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 HIS : no HD1:sc= -0.941 K(o=-2.5,f=-6.6!) USER MOD Set 2.2: A 74 ASN : amide:sc= -1.53 K(o=-2.5,f=-12!) USER MOD Set 3.1: A 3 ASN :FLIP amide:sc=-0.00973 F(o=-0.53,f=0.37) USER MOD Set 3.2: A 5 THR OG1 : rot -108:sc= 1.27 USER MOD Set 3.3: A 37 HIS : no HE2:sc= -0.887 K(o=0.37,f=-3.4) USER MOD Single : A 2 MET CE :methyl 152:sc= -2.73! (180deg=-4.99!) USER MOD Single : A 6 SER OG : rot -130:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0775) USER MOD Single : A 8 GLN : amide:sc= -0.322 K(o=-0.32,f=-1.4) USER MOD Single : A 9 MET CE :methyl 156:sc= -0.307 (180deg=-1.46!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.785 USER MOD Single : A 17 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.059) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -0:sc= 0.188 USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-5.3!) USER MOD Single : A 69 MET CE :methyl -171:sc= -0.421 (180deg=-0.547) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -170:sc= -0.921 USER MOD Single : A 83 GLN : amide:sc= -2.58 K(o=-2.6,f=-3.7!) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N MET A 2 -31.524 -17.757 -14.031 1.00 0.00 N ATOM 18 CA MET A 2 -30.415 -17.876 -14.972 1.00 0.00 C ATOM 19 C MET A 2 -30.623 -19.057 -15.911 1.00 0.00 C ATOM 20 O MET A 2 -31.347 -20.000 -15.589 1.00 0.00 O ATOM 21 CB MET A 2 -29.094 -18.041 -14.220 1.00 0.00 C ATOM 22 CG MET A 2 -28.858 -16.973 -13.166 1.00 0.00 C ATOM 23 SD MET A 2 -29.599 -17.393 -11.576 1.00 0.00 S ATOM 24 CE MET A 2 -28.493 -18.686 -11.018 1.00 0.00 C ATOM 0 HA MET A 2 -30.378 -16.962 -15.565 1.00 0.00 H new ATOM 0 HB2 MET A 2 -29.077 -19.021 -13.743 1.00 0.00 H new ATOM 0 HB3 MET A 2 -28.273 -18.021 -14.936 1.00 0.00 H new ATOM 0 HG2 MET A 2 -27.786 -16.827 -13.036 1.00 0.00 H new ATOM 0 HG3 MET A 2 -29.269 -16.026 -13.515 1.00 0.00 H new ATOM 0 HE1 MET A 2 -28.479 -18.707 -9.928 1.00 0.00 H new ATOM 0 HE2 MET A 2 -28.839 -19.648 -11.395 1.00 0.00 H new ATOM 0 HE3 MET A 2 -27.487 -18.490 -11.390 1.00 0.00 H new ATOM 34 N ASN A 3 -29.986 -18.998 -17.074 1.00 0.00 N ATOM 35 CA ASN A 3 -30.104 -20.065 -18.061 1.00 0.00 C ATOM 36 C ASN A 3 -28.736 -20.638 -18.423 1.00 0.00 C ATOM 37 O ASN A 3 -27.900 -19.953 -19.012 1.00 0.00 O ATOM 38 CB ASN A 3 -30.800 -19.547 -19.321 1.00 0.00 C ATOM 39 CG ASN A 3 -32.302 -19.753 -19.277 1.00 0.00 C ATOM 40 OD1 ASN A 3 -32.819 -20.538 -20.215 1.00 0.00 O flip ATOM 41 ND2 ASN A 3 -32.988 -19.214 -18.409 1.00 0.00 N flip ATOM 0 H ASN A 3 -29.384 -18.225 -17.357 1.00 0.00 H new ATOM 0 HA ASN A 3 -30.703 -20.862 -17.621 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -30.585 -18.485 -19.441 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -30.391 -20.056 -20.194 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -32.548 -18.618 -17.708 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -33.997 -19.363 -18.391 1.00 0.00 H new ATOM 48 N ILE A 4 -28.520 -21.903 -18.071 1.00 0.00 N ATOM 49 CA ILE A 4 -27.259 -22.575 -18.364 1.00 0.00 C ATOM 50 C ILE A 4 -27.501 -23.846 -19.174 1.00 0.00 C ATOM 51 O ILE A 4 -28.252 -24.725 -18.753 1.00 0.00 O ATOM 52 CB ILE A 4 -26.501 -22.941 -17.072 1.00 0.00 C ATOM 53 CG1 ILE A 4 -26.411 -21.732 -16.139 1.00 0.00 C ATOM 54 CG2 ILE A 4 -25.111 -23.464 -17.404 1.00 0.00 C ATOM 55 CD1 ILE A 4 -25.866 -22.065 -14.765 1.00 0.00 C ATOM 0 H ILE A 4 -29.203 -22.483 -17.582 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.652 -21.880 -18.944 1.00 0.00 H new ATOM 0 HB ILE A 4 -27.054 -23.728 -16.559 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -25.776 -20.975 -16.599 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -27.403 -21.293 -16.031 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -24.588 -23.718 -16.482 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -25.196 -24.353 -18.030 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -24.552 -22.696 -17.939 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.831 -21.160 -14.158 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -26.513 -22.799 -14.285 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -24.861 -22.476 -14.862 1.00 0.00 H new ATOM 67 N THR A 5 -26.861 -23.941 -20.337 1.00 0.00 N ATOM 68 CA THR A 5 -27.015 -25.111 -21.196 1.00 0.00 C ATOM 69 C THR A 5 -25.671 -25.590 -21.727 1.00 0.00 C ATOM 70 O THR A 5 -24.704 -24.831 -21.781 1.00 0.00 O ATOM 71 CB THR A 5 -27.954 -24.800 -22.361 1.00 0.00 C ATOM 72 OG1 THR A 5 -27.725 -23.493 -22.858 1.00 0.00 O ATOM 73 CG2 THR A 5 -29.415 -24.912 -21.994 1.00 0.00 C ATOM 0 H THR A 5 -26.234 -23.225 -20.704 1.00 0.00 H new ATOM 0 HA THR A 5 -27.447 -25.909 -20.592 1.00 0.00 H new ATOM 0 HB THR A 5 -27.732 -25.549 -23.121 1.00 0.00 H new ATOM 0 HG1 THR A 5 -28.470 -22.910 -22.602 1.00 0.00 H new ATOM 0 HG21 THR A 5 -30.028 -24.679 -22.865 1.00 0.00 H new ATOM 0 HG22 THR A 5 -29.630 -25.927 -21.661 1.00 0.00 H new ATOM 0 HG23 THR A 5 -29.643 -24.211 -21.191 1.00 0.00 H new ATOM 81 N SER A 6 -25.618 -26.861 -22.113 1.00 0.00 N ATOM 82 CA SER A 6 -24.395 -27.456 -22.637 1.00 0.00 C ATOM 83 C SER A 6 -24.703 -28.774 -23.341 1.00 0.00 C ATOM 84 O SER A 6 -25.526 -29.562 -22.874 1.00 0.00 O ATOM 85 CB SER A 6 -23.392 -27.692 -21.506 1.00 0.00 C ATOM 86 OG SER A 6 -23.704 -28.871 -20.784 1.00 0.00 O ATOM 0 H SER A 6 -26.412 -27.500 -22.072 1.00 0.00 H new ATOM 0 HA SER A 6 -23.959 -26.765 -23.359 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.386 -27.770 -21.918 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.394 -26.837 -20.830 1.00 0.00 H new ATOM 0 HG SER A 6 -23.713 -28.674 -19.824 1.00 0.00 H new ATOM 92 N LYS A 7 -24.041 -29.006 -24.471 1.00 0.00 N ATOM 93 CA LYS A 7 -24.249 -30.226 -25.242 1.00 0.00 C ATOM 94 C LYS A 7 -23.118 -31.223 -25.012 1.00 0.00 C ATOM 95 O LYS A 7 -22.845 -32.074 -25.860 1.00 0.00 O ATOM 96 CB LYS A 7 -24.360 -29.899 -26.733 1.00 0.00 C ATOM 97 CG LYS A 7 -25.366 -28.802 -27.041 1.00 0.00 C ATOM 98 CD LYS A 7 -24.680 -27.468 -27.288 1.00 0.00 C ATOM 99 CE LYS A 7 -25.639 -26.448 -27.879 1.00 0.00 C ATOM 100 NZ LYS A 7 -26.421 -25.745 -26.825 1.00 0.00 N ATOM 0 H LYS A 7 -23.356 -28.365 -24.872 1.00 0.00 H new ATOM 0 HA LYS A 7 -25.180 -30.681 -24.904 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -23.381 -29.597 -27.104 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -24.642 -30.802 -27.275 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -25.951 -29.079 -27.918 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -26.065 -28.704 -26.210 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -24.275 -27.087 -26.350 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -23.837 -27.611 -27.965 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -25.078 -25.718 -28.462 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -26.322 -26.948 -28.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -26.881 -24.907 -27.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -27.146 -26.387 -26.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -25.783 -25.450 -26.058 1.00 0.00 H new ATOM 114 N GLN A 8 -22.465 -31.116 -23.859 1.00 0.00 N ATOM 115 CA GLN A 8 -21.373 -32.009 -23.515 1.00 0.00 C ATOM 116 C GLN A 8 -21.417 -32.390 -22.036 1.00 0.00 C ATOM 117 O GLN A 8 -20.438 -32.899 -21.489 1.00 0.00 O ATOM 118 CB GLN A 8 -20.028 -31.361 -23.851 1.00 0.00 C ATOM 119 CG GLN A 8 -18.934 -32.366 -24.177 1.00 0.00 C ATOM 120 CD GLN A 8 -18.745 -32.556 -25.669 1.00 0.00 C ATOM 121 OE1 GLN A 8 -18.796 -31.599 -26.441 1.00 0.00 O ATOM 122 NE2 GLN A 8 -18.524 -33.798 -26.083 1.00 0.00 N ATOM 0 H GLN A 8 -22.677 -30.416 -23.148 1.00 0.00 H new ATOM 0 HA GLN A 8 -21.486 -32.919 -24.105 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.159 -30.691 -24.700 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -19.708 -30.749 -23.008 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -17.995 -32.032 -23.735 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -19.178 -33.325 -23.720 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.490 -34.562 -25.408 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -18.389 -33.988 -27.076 1.00 0.00 H new ATOM 131 N MET A 9 -22.557 -32.143 -21.392 1.00 0.00 N ATOM 132 CA MET A 9 -22.727 -32.460 -19.978 1.00 0.00 C ATOM 133 C MET A 9 -24.062 -31.935 -19.464 1.00 0.00 C ATOM 134 O MET A 9 -24.855 -31.374 -20.219 1.00 0.00 O ATOM 135 CB MET A 9 -21.585 -31.869 -19.147 1.00 0.00 C ATOM 136 CG MET A 9 -21.197 -30.455 -19.551 1.00 0.00 C ATOM 137 SD MET A 9 -19.508 -30.036 -19.082 1.00 0.00 S ATOM 138 CE MET A 9 -18.787 -29.687 -20.683 1.00 0.00 C ATOM 0 H MET A 9 -23.377 -31.723 -21.830 1.00 0.00 H new ATOM 0 HA MET A 9 -22.711 -33.545 -19.876 1.00 0.00 H new ATOM 0 HB2 MET A 9 -21.875 -31.870 -18.096 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.711 -32.515 -19.237 1.00 0.00 H new ATOM 0 HG2 MET A 9 -21.308 -30.347 -20.630 1.00 0.00 H new ATOM 0 HG3 MET A 9 -21.885 -29.748 -19.087 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.928 -29.028 -20.559 1.00 0.00 H new ATOM 0 HE2 MET A 9 -18.465 -30.619 -21.148 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.528 -29.201 -21.318 1.00 0.00 H new ATOM 148 N GLU A 10 -24.301 -32.119 -18.170 1.00 0.00 N ATOM 149 CA GLU A 10 -25.539 -31.662 -17.547 1.00 0.00 C ATOM 150 C GLU A 10 -25.267 -30.498 -16.601 1.00 0.00 C ATOM 151 O GLU A 10 -24.114 -30.151 -16.346 1.00 0.00 O ATOM 152 CB GLU A 10 -26.207 -32.809 -16.787 1.00 0.00 C ATOM 153 CG GLU A 10 -25.241 -33.623 -15.942 1.00 0.00 C ATOM 154 CD GLU A 10 -24.781 -34.889 -16.639 1.00 0.00 C ATOM 155 OE1 GLU A 10 -25.648 -35.648 -17.122 1.00 0.00 O ATOM 156 OE2 GLU A 10 -23.556 -35.121 -16.703 1.00 0.00 O ATOM 0 H GLU A 10 -23.654 -32.582 -17.532 1.00 0.00 H new ATOM 0 HA GLU A 10 -26.211 -31.321 -18.334 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.986 -32.402 -16.143 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -26.698 -33.470 -17.501 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.373 -33.011 -15.698 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -25.721 -33.886 -14.999 1.00 0.00 H new ATOM 163 N ILE A 11 -26.333 -29.891 -16.088 1.00 0.00 N ATOM 164 CA ILE A 11 -26.204 -28.762 -15.180 1.00 0.00 C ATOM 165 C ILE A 11 -26.156 -29.225 -13.730 1.00 0.00 C ATOM 166 O ILE A 11 -27.137 -29.743 -13.197 1.00 0.00 O ATOM 167 CB ILE A 11 -27.375 -27.781 -15.354 1.00 0.00 C ATOM 168 CG1 ILE A 11 -27.654 -27.559 -16.843 1.00 0.00 C ATOM 169 CG2 ILE A 11 -27.078 -26.465 -14.649 1.00 0.00 C ATOM 170 CD1 ILE A 11 -26.675 -26.620 -17.514 1.00 0.00 C ATOM 0 H ILE A 11 -27.295 -30.164 -16.287 1.00 0.00 H new ATOM 0 HA ILE A 11 -25.269 -28.257 -15.425 1.00 0.00 H new ATOM 0 HB ILE A 11 -28.267 -28.209 -14.897 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -27.630 -28.521 -17.355 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -28.662 -27.161 -16.959 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -27.918 -25.783 -14.783 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -26.925 -26.648 -13.585 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -26.178 -26.020 -15.073 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -26.937 -26.512 -18.567 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -26.715 -25.645 -17.029 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -25.667 -27.025 -17.431 1.00 0.00 H new ATOM 182 N THR A 12 -25.005 -29.029 -13.100 1.00 0.00 N ATOM 183 CA THR A 12 -24.815 -29.418 -11.709 1.00 0.00 C ATOM 184 C THR A 12 -24.982 -28.219 -10.779 1.00 0.00 C ATOM 185 O THR A 12 -24.815 -27.073 -11.197 1.00 0.00 O ATOM 186 CB THR A 12 -23.431 -30.037 -11.513 1.00 0.00 C ATOM 187 OG1 THR A 12 -22.432 -29.032 -11.491 1.00 0.00 O ATOM 188 CG2 THR A 12 -23.060 -31.031 -12.593 1.00 0.00 C ATOM 0 H THR A 12 -24.186 -28.601 -13.532 1.00 0.00 H new ATOM 0 HA THR A 12 -25.576 -30.158 -11.461 1.00 0.00 H new ATOM 0 HB THR A 12 -23.482 -30.565 -10.561 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.553 -29.447 -11.363 1.00 0.00 H new ATOM 0 HG21 THR A 12 -22.066 -31.432 -12.393 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.785 -31.845 -12.603 1.00 0.00 H new ATOM 0 HG23 THR A 12 -23.062 -30.533 -13.562 1.00 0.00 H new ATOM 196 N PRO A 13 -25.298 -28.467 -9.496 1.00 0.00 N ATOM 197 CA PRO A 13 -25.468 -27.400 -8.504 1.00 0.00 C ATOM 198 C PRO A 13 -24.181 -26.611 -8.288 1.00 0.00 C ATOM 199 O PRO A 13 -24.200 -25.532 -7.695 1.00 0.00 O ATOM 200 CB PRO A 13 -25.867 -28.142 -7.222 1.00 0.00 C ATOM 201 CG PRO A 13 -26.299 -29.497 -7.671 1.00 0.00 C ATOM 202 CD PRO A 13 -25.501 -29.798 -8.906 1.00 0.00 C ATOM 0 HA PRO A 13 -26.208 -26.666 -8.822 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -25.029 -28.206 -6.528 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -26.673 -27.624 -6.702 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -26.115 -30.242 -6.897 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -27.368 -29.515 -7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -24.555 -30.283 -8.668 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -26.038 -30.463 -9.583 1.00 0.00 H new ATOM 210 N ALA A 14 -23.067 -27.143 -8.778 1.00 0.00 N ATOM 211 CA ALA A 14 -21.787 -26.469 -8.640 1.00 0.00 C ATOM 212 C ALA A 14 -21.584 -25.478 -9.775 1.00 0.00 C ATOM 213 O ALA A 14 -21.104 -24.364 -9.567 1.00 0.00 O ATOM 214 CB ALA A 14 -20.654 -27.484 -8.611 1.00 0.00 C ATOM 0 H ALA A 14 -23.027 -28.035 -9.272 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.784 -25.920 -7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.702 -26.964 -8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.792 -28.160 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -20.655 -28.057 -9.538 1.00 0.00 H new ATOM 220 N ILE A 15 -21.970 -25.894 -10.978 1.00 0.00 N ATOM 221 CA ILE A 15 -21.850 -25.046 -12.152 1.00 0.00 C ATOM 222 C ILE A 15 -22.891 -23.942 -12.098 1.00 0.00 C ATOM 223 O ILE A 15 -22.676 -22.842 -12.609 1.00 0.00 O ATOM 224 CB ILE A 15 -22.027 -25.852 -13.453 1.00 0.00 C ATOM 225 CG1 ILE A 15 -21.106 -27.074 -13.450 1.00 0.00 C ATOM 226 CG2 ILE A 15 -21.745 -24.974 -14.663 1.00 0.00 C ATOM 227 CD1 ILE A 15 -21.527 -28.151 -14.428 1.00 0.00 C ATOM 0 H ILE A 15 -22.369 -26.815 -11.162 1.00 0.00 H new ATOM 0 HA ILE A 15 -20.849 -24.616 -12.151 1.00 0.00 H new ATOM 0 HB ILE A 15 -23.059 -26.197 -13.511 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -20.091 -26.755 -13.688 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -21.080 -27.497 -12.446 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -21.874 -25.558 -15.574 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -22.437 -24.132 -14.671 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.722 -24.602 -14.612 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -20.829 -28.986 -14.372 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -22.530 -28.498 -14.178 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -21.526 -27.745 -15.439 1.00 0.00 H new ATOM 239 N ARG A 16 -24.017 -24.237 -11.454 1.00 0.00 N ATOM 240 CA ARG A 16 -25.082 -23.262 -11.311 1.00 0.00 C ATOM 241 C ARG A 16 -24.690 -22.229 -10.261 1.00 0.00 C ATOM 242 O ARG A 16 -24.873 -21.029 -10.453 1.00 0.00 O ATOM 243 CB ARG A 16 -26.397 -23.954 -10.926 1.00 0.00 C ATOM 244 CG ARG A 16 -26.574 -24.183 -9.433 1.00 0.00 C ATOM 245 CD ARG A 16 -27.920 -24.817 -9.123 1.00 0.00 C ATOM 246 NE ARG A 16 -28.896 -23.833 -8.662 1.00 0.00 N ATOM 247 CZ ARG A 16 -28.887 -23.295 -7.445 1.00 0.00 C ATOM 248 NH1 ARG A 16 -27.957 -23.642 -6.564 1.00 0.00 N ATOM 249 NH2 ARG A 16 -29.812 -22.407 -7.107 1.00 0.00 N ATOM 0 H ARG A 16 -24.211 -25.142 -11.026 1.00 0.00 H new ATOM 0 HA ARG A 16 -25.235 -22.757 -12.265 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -27.230 -23.352 -11.290 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -26.451 -24.915 -11.437 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -25.774 -24.826 -9.065 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -26.488 -23.233 -8.905 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -28.300 -25.314 -10.015 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -27.792 -25.585 -8.360 1.00 0.00 H new ATOM 0 HE ARG A 16 -29.627 -23.541 -9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -27.243 -24.325 -6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -27.956 -23.226 -5.633 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -30.530 -22.137 -7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -29.806 -21.994 -6.174 1.00 0.00 H new ATOM 263 N GLN A 17 -24.130 -22.718 -9.157 1.00 0.00 N ATOM 264 CA GLN A 17 -23.680 -21.855 -8.072 1.00 0.00 C ATOM 265 C GLN A 17 -22.493 -21.007 -8.515 1.00 0.00 C ATOM 266 O GLN A 17 -22.403 -19.832 -8.161 1.00 0.00 O ATOM 267 CB GLN A 17 -23.324 -22.694 -6.843 1.00 0.00 C ATOM 268 CG GLN A 17 -22.611 -21.917 -5.746 1.00 0.00 C ATOM 269 CD GLN A 17 -23.290 -22.051 -4.397 1.00 0.00 C ATOM 270 OE1 GLN A 17 -23.412 -21.080 -3.651 1.00 0.00 O ATOM 271 NE2 GLN A 17 -23.734 -23.261 -4.077 1.00 0.00 N ATOM 0 H GLN A 17 -23.977 -23.713 -8.992 1.00 0.00 H new ATOM 0 HA GLN A 17 -24.492 -21.179 -7.804 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -24.238 -23.125 -6.433 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -22.692 -23.525 -7.155 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -21.583 -22.269 -5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -22.567 -20.864 -6.023 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -23.611 -24.038 -4.727 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -24.198 -23.414 -3.182 1.00 0.00 H new ATOM 280 N HIS A 18 -21.599 -21.582 -9.310 1.00 0.00 N ATOM 281 CA HIS A 18 -20.451 -20.830 -9.804 1.00 0.00 C ATOM 282 C HIS A 18 -20.948 -19.645 -10.628 1.00 0.00 C ATOM 283 O HIS A 18 -20.605 -18.490 -10.357 1.00 0.00 O ATOM 284 CB HIS A 18 -19.521 -21.721 -10.631 1.00 0.00 C ATOM 285 CG HIS A 18 -18.398 -20.975 -11.287 1.00 0.00 C ATOM 286 ND1 HIS A 18 -17.273 -20.554 -10.608 1.00 0.00 N ATOM 287 CD2 HIS A 18 -18.231 -20.577 -12.571 1.00 0.00 C ATOM 288 CE1 HIS A 18 -16.465 -19.929 -11.446 1.00 0.00 C ATOM 289 NE2 HIS A 18 -17.022 -19.930 -12.642 1.00 0.00 N ATOM 0 H HIS A 18 -21.644 -22.552 -9.623 1.00 0.00 H new ATOM 0 HA HIS A 18 -19.873 -20.462 -8.956 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -19.104 -22.494 -9.985 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -20.106 -22.228 -11.398 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -18.920 -20.738 -13.387 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.510 -19.491 -11.195 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -16.620 -19.517 -13.483 1.00 0.00 H new ATOM 298 N VAL A 19 -21.788 -19.932 -11.610 1.00 0.00 N ATOM 299 CA VAL A 19 -22.357 -18.888 -12.439 1.00 0.00 C ATOM 300 C VAL A 19 -23.207 -17.949 -11.593 1.00 0.00 C ATOM 301 O VAL A 19 -23.056 -16.735 -11.661 1.00 0.00 O ATOM 302 CB VAL A 19 -23.222 -19.470 -13.572 1.00 0.00 C ATOM 303 CG1 VAL A 19 -23.662 -18.370 -14.525 1.00 0.00 C ATOM 304 CG2 VAL A 19 -22.467 -20.562 -14.316 1.00 0.00 C ATOM 0 H VAL A 19 -22.088 -20.877 -11.850 1.00 0.00 H new ATOM 0 HA VAL A 19 -21.528 -18.339 -12.885 1.00 0.00 H new ATOM 0 HB VAL A 19 -24.114 -19.916 -13.131 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -24.272 -18.799 -15.319 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -24.246 -17.628 -13.980 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -22.784 -17.893 -14.960 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -23.095 -20.961 -15.113 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -21.556 -20.146 -14.746 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -22.209 -21.363 -13.623 1.00 0.00 H new ATOM 314 N ALA A 20 -24.097 -18.509 -10.784 1.00 0.00 N ATOM 315 CA ALA A 20 -24.951 -17.689 -9.933 1.00 0.00 C ATOM 316 C ALA A 20 -24.137 -16.756 -9.041 1.00 0.00 C ATOM 317 O ALA A 20 -24.530 -15.612 -8.819 1.00 0.00 O ATOM 318 CB ALA A 20 -25.891 -18.543 -9.107 1.00 0.00 C ATOM 0 H ALA A 20 -24.246 -19.514 -10.699 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.554 -17.066 -10.594 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -26.513 -17.901 -8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -26.526 -19.131 -9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -25.311 -19.213 -8.472 1.00 0.00 H new ATOM 324 N ASP A 21 -23.003 -17.228 -8.537 1.00 0.00 N ATOM 325 CA ASP A 21 -22.168 -16.388 -7.689 1.00 0.00 C ATOM 326 C ASP A 21 -21.630 -15.198 -8.480 1.00 0.00 C ATOM 327 O ASP A 21 -21.424 -14.115 -7.932 1.00 0.00 O ATOM 328 CB ASP A 21 -21.016 -17.193 -7.070 1.00 0.00 C ATOM 329 CG ASP A 21 -19.843 -17.406 -8.013 1.00 0.00 C ATOM 330 OD1 ASP A 21 -19.328 -16.411 -8.565 1.00 0.00 O ATOM 331 OD2 ASP A 21 -19.429 -18.570 -8.186 1.00 0.00 O ATOM 0 H ASP A 21 -22.646 -18.170 -8.697 1.00 0.00 H new ATOM 0 HA ASP A 21 -22.787 -16.012 -6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.663 -16.678 -6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -21.394 -18.164 -6.750 1.00 0.00 H new ATOM 336 N ARG A 22 -21.393 -15.417 -9.770 1.00 0.00 N ATOM 337 CA ARG A 22 -20.865 -14.378 -10.639 1.00 0.00 C ATOM 338 C ARG A 22 -21.936 -13.371 -11.065 1.00 0.00 C ATOM 339 O ARG A 22 -21.656 -12.173 -11.134 1.00 0.00 O ATOM 340 CB ARG A 22 -20.204 -15.007 -11.859 1.00 0.00 C ATOM 341 CG ARG A 22 -21.163 -15.279 -12.995 1.00 0.00 C ATOM 342 CD ARG A 22 -21.308 -14.066 -13.885 1.00 0.00 C ATOM 343 NE ARG A 22 -22.679 -13.891 -14.363 1.00 0.00 N ATOM 344 CZ ARG A 22 -23.009 -13.155 -15.421 1.00 0.00 C ATOM 345 NH1 ARG A 22 -22.074 -12.515 -16.111 1.00 0.00 N ATOM 346 NH2 ARG A 22 -24.278 -13.056 -15.791 1.00 0.00 N ATOM 0 H ARG A 22 -21.560 -16.309 -10.235 1.00 0.00 H new ATOM 0 HA ARG A 22 -20.120 -13.822 -10.069 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -19.412 -14.347 -12.213 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.730 -15.943 -11.563 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -20.806 -16.125 -13.583 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -22.137 -15.559 -12.594 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -21.000 -13.176 -13.336 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -20.637 -14.162 -14.739 1.00 0.00 H new ATOM 0 HE ARG A 22 -23.427 -14.362 -13.854 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -21.096 -12.586 -15.831 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -22.333 -11.952 -16.921 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -25.002 -13.544 -15.264 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -24.530 -12.491 -16.602 1.00 0.00 H new ATOM 360 N LEU A 23 -23.151 -13.832 -11.360 1.00 0.00 N ATOM 361 CA LEU A 23 -24.192 -12.916 -11.779 1.00 0.00 C ATOM 362 C LEU A 23 -24.560 -11.960 -10.650 1.00 0.00 C ATOM 363 O LEU A 23 -24.627 -10.747 -10.848 1.00 0.00 O ATOM 364 CB LEU A 23 -25.441 -13.652 -12.268 1.00 0.00 C ATOM 365 CG LEU A 23 -25.669 -15.075 -11.748 1.00 0.00 C ATOM 366 CD1 LEU A 23 -27.105 -15.243 -11.273 1.00 0.00 C ATOM 367 CD2 LEU A 23 -25.348 -16.076 -12.845 1.00 0.00 C ATOM 0 H LEU A 23 -23.428 -14.813 -11.316 1.00 0.00 H new ATOM 0 HA LEU A 23 -23.792 -12.343 -12.616 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -26.311 -13.052 -12.002 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -25.403 -13.693 -13.357 1.00 0.00 H new ATOM 0 HG LEU A 23 -25.009 -15.256 -10.900 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -27.251 -16.259 -10.907 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -27.308 -14.535 -10.469 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -27.787 -15.055 -12.102 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -25.511 -17.088 -12.473 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -25.996 -15.896 -13.703 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -24.307 -15.963 -13.147 1.00 0.00 H new ATOM 379 N ALA A 24 -24.788 -12.512 -9.463 1.00 0.00 N ATOM 380 CA ALA A 24 -25.139 -11.705 -8.300 1.00 0.00 C ATOM 381 C ALA A 24 -24.026 -10.721 -7.957 1.00 0.00 C ATOM 382 O ALA A 24 -24.270 -9.680 -7.348 1.00 0.00 O ATOM 383 CB ALA A 24 -25.448 -12.598 -7.108 1.00 0.00 C ATOM 0 H ALA A 24 -24.736 -13.514 -9.281 1.00 0.00 H new ATOM 0 HA ALA A 24 -26.031 -11.129 -8.546 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -25.708 -11.980 -6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -26.285 -13.253 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -24.573 -13.202 -6.869 1.00 0.00 H new ATOM 389 N LYS A 25 -22.802 -11.054 -8.356 1.00 0.00 N ATOM 390 CA LYS A 25 -21.652 -10.197 -8.092 1.00 0.00 C ATOM 391 C LYS A 25 -21.599 -9.039 -9.083 1.00 0.00 C ATOM 392 O LYS A 25 -21.182 -7.932 -8.738 1.00 0.00 O ATOM 393 CB LYS A 25 -20.357 -11.007 -8.167 1.00 0.00 C ATOM 394 CG LYS A 25 -19.113 -10.196 -7.845 1.00 0.00 C ATOM 395 CD LYS A 25 -18.962 -9.980 -6.348 1.00 0.00 C ATOM 396 CE LYS A 25 -18.319 -11.181 -5.674 1.00 0.00 C ATOM 397 NZ LYS A 25 -16.832 -11.123 -5.735 1.00 0.00 N ATOM 0 H LYS A 25 -22.582 -11.911 -8.863 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.758 -9.788 -7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.423 -11.846 -7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.258 -11.427 -9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.232 -10.710 -8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -19.165 -9.231 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.356 -9.092 -6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.941 -9.794 -5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -18.638 -11.227 -4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -18.666 -12.096 -6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.432 -11.960 -5.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.526 -11.105 -6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.498 -10.263 -5.254 1.00 0.00 H new ATOM 411 N LEU A 26 -22.023 -9.299 -10.315 1.00 0.00 N ATOM 412 CA LEU A 26 -22.024 -8.278 -11.358 1.00 0.00 C ATOM 413 C LEU A 26 -23.249 -7.376 -11.236 1.00 0.00 C ATOM 414 O LEU A 26 -24.035 -7.246 -12.175 1.00 0.00 O ATOM 415 CB LEU A 26 -21.991 -8.934 -12.740 1.00 0.00 C ATOM 416 CG LEU A 26 -20.594 -9.303 -13.248 1.00 0.00 C ATOM 417 CD1 LEU A 26 -20.597 -10.691 -13.871 1.00 0.00 C ATOM 418 CD2 LEU A 26 -20.099 -8.269 -14.250 1.00 0.00 C ATOM 0 H LEU A 26 -22.371 -10.209 -10.617 1.00 0.00 H new ATOM 0 HA LEU A 26 -21.132 -7.664 -11.234 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -22.601 -9.837 -12.712 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -22.455 -8.258 -13.458 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.913 -9.312 -12.397 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.595 -10.933 -14.225 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -20.905 -11.424 -13.125 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -21.293 -10.712 -14.710 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.105 -8.548 -14.600 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.783 -8.227 -15.097 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -20.054 -7.291 -13.771 1.00 0.00 H new ATOM 592 N PRO A 36 -30.789 -13.753 -19.190 1.00 0.00 N ATOM 593 CA PRO A 36 -29.437 -14.089 -19.637 1.00 0.00 C ATOM 594 C PRO A 36 -29.287 -15.586 -19.881 1.00 0.00 C ATOM 595 O PRO A 36 -29.889 -16.399 -19.180 1.00 0.00 O ATOM 596 CB PRO A 36 -28.580 -13.651 -18.457 1.00 0.00 C ATOM 597 CG PRO A 36 -29.444 -13.915 -17.273 1.00 0.00 C ATOM 598 CD PRO A 36 -30.860 -13.639 -17.718 1.00 0.00 C ATOM 0 HA PRO A 36 -29.168 -13.613 -20.580 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.649 -14.216 -18.407 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.310 -12.597 -18.528 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.336 -14.945 -16.934 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -29.166 -13.273 -16.437 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.561 -14.357 -17.293 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.192 -12.648 -17.408 1.00 0.00 H new ATOM 606 N HIS A 37 -28.490 -15.947 -20.883 1.00 0.00 N ATOM 607 CA HIS A 37 -28.283 -17.352 -21.213 1.00 0.00 C ATOM 608 C HIS A 37 -26.807 -17.665 -21.440 1.00 0.00 C ATOM 609 O HIS A 37 -26.118 -16.973 -22.188 1.00 0.00 O ATOM 610 CB HIS A 37 -29.088 -17.726 -22.458 1.00 0.00 C ATOM 611 CG HIS A 37 -29.481 -19.171 -22.506 1.00 0.00 C ATOM 612 ND1 HIS A 37 -30.693 -19.606 -22.998 1.00 0.00 N ATOM 613 CD2 HIS A 37 -28.812 -20.285 -22.122 1.00 0.00 C ATOM 614 CE1 HIS A 37 -30.754 -20.924 -22.912 1.00 0.00 C ATOM 615 NE2 HIS A 37 -29.624 -21.359 -22.385 1.00 0.00 N ATOM 0 H HIS A 37 -27.981 -15.291 -21.476 1.00 0.00 H new ATOM 0 HA HIS A 37 -28.627 -17.944 -20.365 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -29.988 -17.112 -22.497 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -28.501 -17.488 -23.345 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -31.428 -19.005 -23.370 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -27.823 -20.321 -21.689 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -31.586 -21.540 -23.220 1.00 0.00 H new ATOM 624 N ILE A 38 -26.339 -18.725 -20.792 1.00 0.00 N ATOM 625 CA ILE A 38 -24.952 -19.161 -20.913 1.00 0.00 C ATOM 626 C ILE A 38 -24.888 -20.580 -21.460 1.00 0.00 C ATOM 627 O ILE A 38 -25.617 -21.464 -21.011 1.00 0.00 O ATOM 628 CB ILE A 38 -24.216 -19.111 -19.559 1.00 0.00 C ATOM 629 CG1 ILE A 38 -24.615 -17.858 -18.776 1.00 0.00 C ATOM 630 CG2 ILE A 38 -22.711 -19.150 -19.774 1.00 0.00 C ATOM 631 CD1 ILE A 38 -24.231 -16.566 -19.464 1.00 0.00 C ATOM 0 H ILE A 38 -26.905 -19.304 -20.172 1.00 0.00 H new ATOM 0 HA ILE A 38 -24.459 -18.474 -21.601 1.00 0.00 H new ATOM 0 HB ILE A 38 -24.505 -19.985 -18.975 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -25.693 -17.868 -18.616 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -24.146 -17.890 -17.793 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -22.205 -19.114 -18.809 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -22.441 -20.071 -20.291 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -22.407 -18.293 -20.375 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -24.545 -15.721 -18.852 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -23.150 -16.534 -19.600 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -24.721 -16.512 -20.436 1.00 0.00 H new ATOM 643 N ILE A 39 -24.011 -20.792 -22.437 1.00 0.00 N ATOM 644 CA ILE A 39 -23.852 -22.102 -23.051 1.00 0.00 C ATOM 645 C ILE A 39 -22.434 -22.628 -22.857 1.00 0.00 C ATOM 646 O ILE A 39 -21.474 -21.858 -22.840 1.00 0.00 O ATOM 647 CB ILE A 39 -24.167 -22.056 -24.559 1.00 0.00 C ATOM 648 CG1 ILE A 39 -25.519 -21.379 -24.801 1.00 0.00 C ATOM 649 CG2 ILE A 39 -24.155 -23.460 -25.147 1.00 0.00 C ATOM 650 CD1 ILE A 39 -25.412 -20.058 -25.532 1.00 0.00 C ATOM 0 H ILE A 39 -23.400 -20.071 -22.819 1.00 0.00 H new ATOM 0 HA ILE A 39 -24.558 -22.772 -22.559 1.00 0.00 H new ATOM 0 HB ILE A 39 -23.396 -21.469 -25.058 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -26.156 -22.052 -25.375 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -26.011 -21.216 -23.842 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -24.379 -23.410 -26.213 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -23.171 -23.906 -25.004 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -24.906 -24.071 -24.646 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -26.408 -19.636 -25.668 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -24.802 -19.368 -24.949 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -24.949 -20.217 -26.506 1.00 0.00 H new ATOM 662 N LEU A 40 -22.310 -23.941 -22.712 1.00 0.00 N ATOM 663 CA LEU A 40 -21.009 -24.572 -22.521 1.00 0.00 C ATOM 664 C LEU A 40 -20.763 -25.641 -23.579 1.00 0.00 C ATOM 665 O LEU A 40 -21.579 -26.542 -23.769 1.00 0.00 O ATOM 666 CB LEU A 40 -20.920 -25.188 -21.124 1.00 0.00 C ATOM 667 CG LEU A 40 -21.221 -24.228 -19.973 1.00 0.00 C ATOM 668 CD1 LEU A 40 -21.324 -24.985 -18.658 1.00 0.00 C ATOM 669 CD2 LEU A 40 -20.152 -23.150 -19.887 1.00 0.00 C ATOM 0 H LEU A 40 -23.096 -24.591 -22.723 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.241 -23.805 -22.622 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.614 -26.027 -21.068 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.918 -25.594 -20.986 1.00 0.00 H new ATOM 0 HG LEU A 40 -22.180 -23.748 -20.167 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -21.539 -24.285 -17.851 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -22.126 -25.720 -18.723 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -20.381 -25.493 -18.456 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -20.381 -22.475 -19.062 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -19.180 -23.614 -19.717 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -20.127 -22.587 -20.820 1.00 0.00 H new ATOM 681 N SER A 41 -19.629 -25.533 -24.260 1.00 0.00 N ATOM 682 CA SER A 41 -19.260 -26.488 -25.297 1.00 0.00 C ATOM 683 C SER A 41 -17.902 -27.107 -24.990 1.00 0.00 C ATOM 684 O SER A 41 -17.330 -26.872 -23.926 1.00 0.00 O ATOM 685 CB SER A 41 -19.229 -25.805 -26.666 1.00 0.00 C ATOM 686 OG SER A 41 -20.028 -24.635 -26.671 1.00 0.00 O ATOM 0 H SER A 41 -18.946 -24.790 -24.112 1.00 0.00 H new ATOM 0 HA SER A 41 -20.009 -27.279 -25.318 1.00 0.00 H new ATOM 0 HB2 SER A 41 -18.202 -25.549 -26.925 1.00 0.00 H new ATOM 0 HB3 SER A 41 -19.587 -26.496 -27.429 1.00 0.00 H new ATOM 0 HG SER A 41 -19.990 -24.217 -27.556 1.00 0.00 H new ATOM 692 N LYS A 42 -17.392 -27.903 -25.922 1.00 0.00 N ATOM 693 CA LYS A 42 -16.102 -28.556 -25.734 1.00 0.00 C ATOM 694 C LYS A 42 -15.499 -28.991 -27.061 1.00 0.00 C ATOM 695 O LYS A 42 -16.194 -29.478 -27.953 1.00 0.00 O ATOM 696 CB LYS A 42 -16.253 -29.766 -24.810 1.00 0.00 C ATOM 697 CG LYS A 42 -14.942 -30.480 -24.522 1.00 0.00 C ATOM 698 CD LYS A 42 -15.174 -31.919 -24.092 1.00 0.00 C ATOM 699 CE LYS A 42 -13.933 -32.517 -23.448 1.00 0.00 C ATOM 700 NZ LYS A 42 -13.614 -33.862 -23.999 1.00 0.00 N ATOM 0 H LYS A 42 -17.848 -28.111 -26.810 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.427 -27.833 -25.277 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.694 -29.440 -23.868 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.950 -30.472 -25.261 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.314 -30.462 -25.412 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.401 -29.948 -23.739 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.005 -31.960 -23.388 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.459 -32.517 -24.958 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.085 -31.850 -23.605 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.084 -32.592 -22.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.762 -34.235 -23.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.412 -34.506 -23.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.445 -33.787 -25.022 1.00 0.00 H new ATOM 714 N GLU A 43 -14.191 -28.820 -27.162 1.00 0.00 N ATOM 715 CA GLU A 43 -13.441 -29.194 -28.347 1.00 0.00 C ATOM 716 C GLU A 43 -12.216 -30.001 -27.931 1.00 0.00 C ATOM 717 O GLU A 43 -11.757 -29.888 -26.795 1.00 0.00 O ATOM 718 CB GLU A 43 -13.006 -27.944 -29.116 1.00 0.00 C ATOM 719 CG GLU A 43 -14.148 -27.247 -29.837 1.00 0.00 C ATOM 720 CD GLU A 43 -14.141 -27.510 -31.331 1.00 0.00 C ATOM 721 OE1 GLU A 43 -13.424 -26.791 -32.057 1.00 0.00 O ATOM 722 OE2 GLU A 43 -14.852 -28.437 -31.773 1.00 0.00 O ATOM 0 H GLU A 43 -13.618 -28.416 -26.421 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.074 -29.798 -28.997 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.544 -27.243 -28.422 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.243 -28.222 -29.844 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.096 -27.582 -29.417 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.083 -26.173 -29.660 1.00 0.00 H new ATOM 729 N PRO A 44 -11.663 -30.824 -28.829 1.00 0.00 N ATOM 730 CA PRO A 44 -10.485 -31.635 -28.512 1.00 0.00 C ATOM 731 C PRO A 44 -9.347 -30.805 -27.935 1.00 0.00 C ATOM 732 O PRO A 44 -8.478 -31.318 -27.230 1.00 0.00 O ATOM 733 CB PRO A 44 -10.086 -32.222 -29.862 1.00 0.00 C ATOM 734 CG PRO A 44 -11.348 -32.240 -30.655 1.00 0.00 C ATOM 735 CD PRO A 44 -12.131 -31.035 -30.210 1.00 0.00 C ATOM 0 HA PRO A 44 -10.701 -32.386 -27.752 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.322 -31.615 -30.347 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.674 -33.225 -29.751 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.138 -32.197 -31.724 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.908 -33.158 -30.477 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.931 -30.169 -30.840 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.205 -31.216 -30.248 1.00 0.00 H new ATOM 743 N GLN A 45 -9.356 -29.525 -28.259 1.00 0.00 N ATOM 744 CA GLN A 45 -8.327 -28.602 -27.802 1.00 0.00 C ATOM 745 C GLN A 45 -8.670 -27.946 -26.461 1.00 0.00 C ATOM 746 O GLN A 45 -7.841 -27.240 -25.888 1.00 0.00 O ATOM 747 CB GLN A 45 -8.084 -27.522 -28.858 1.00 0.00 C ATOM 748 CG GLN A 45 -6.643 -27.042 -28.916 1.00 0.00 C ATOM 749 CD GLN A 45 -6.526 -25.602 -29.374 1.00 0.00 C ATOM 750 OE1 GLN A 45 -7.015 -25.236 -30.443 1.00 0.00 O ATOM 751 NE2 GLN A 45 -5.875 -24.775 -28.565 1.00 0.00 N ATOM 0 H GLN A 45 -10.073 -29.095 -28.844 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.421 -29.189 -27.651 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.368 -27.911 -29.836 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.734 -26.671 -28.652 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.190 -27.144 -27.930 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.078 -27.682 -29.594 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.485 -25.121 -27.688 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.764 -23.794 -28.820 1.00 0.00 H new ATOM 760 N GLY A 46 -9.881 -28.176 -25.958 1.00 0.00 N ATOM 761 CA GLY A 46 -10.271 -27.583 -24.688 1.00 0.00 C ATOM 762 C GLY A 46 -11.759 -27.318 -24.615 1.00 0.00 C ATOM 763 O GLY A 46 -12.518 -27.846 -25.417 1.00 0.00 O ATOM 0 H GLY A 46 -10.593 -28.756 -26.401 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.982 -28.248 -23.874 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.729 -26.648 -24.544 1.00 0.00 H new ATOM 767 N PHE A 47 -12.182 -26.501 -23.657 1.00 0.00 N ATOM 768 CA PHE A 47 -13.600 -26.185 -23.507 1.00 0.00 C ATOM 769 C PHE A 47 -13.909 -24.759 -23.928 1.00 0.00 C ATOM 770 O PHE A 47 -13.052 -23.876 -23.891 1.00 0.00 O ATOM 771 CB PHE A 47 -14.046 -26.418 -22.072 1.00 0.00 C ATOM 772 CG PHE A 47 -13.631 -27.760 -21.573 1.00 0.00 C ATOM 773 CD1 PHE A 47 -12.325 -27.979 -21.186 1.00 0.00 C ATOM 774 CD2 PHE A 47 -14.533 -28.804 -21.516 1.00 0.00 C ATOM 775 CE1 PHE A 47 -11.920 -29.216 -20.744 1.00 0.00 C ATOM 776 CE2 PHE A 47 -14.139 -30.050 -21.076 1.00 0.00 C ATOM 777 CZ PHE A 47 -12.827 -30.259 -20.688 1.00 0.00 C ATOM 0 H PHE A 47 -11.571 -26.048 -22.977 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.155 -26.852 -24.167 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.623 -25.645 -21.430 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.130 -26.326 -22.009 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.612 -27.169 -21.231 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.557 -28.643 -21.819 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.895 -29.373 -20.441 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.852 -30.860 -21.034 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.512 -31.233 -20.343 1.00 0.00 H new ATOM 787 N VAL A 48 -15.153 -24.558 -24.343 1.00 0.00 N ATOM 788 CA VAL A 48 -15.616 -23.258 -24.797 1.00 0.00 C ATOM 789 C VAL A 48 -16.886 -22.841 -24.060 1.00 0.00 C ATOM 790 O VAL A 48 -17.765 -23.664 -23.806 1.00 0.00 O ATOM 791 CB VAL A 48 -15.883 -23.278 -26.317 1.00 0.00 C ATOM 792 CG1 VAL A 48 -16.594 -22.010 -26.772 1.00 0.00 C ATOM 793 CG2 VAL A 48 -14.580 -23.465 -27.081 1.00 0.00 C ATOM 0 H VAL A 48 -15.864 -25.289 -24.374 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.832 -22.533 -24.580 1.00 0.00 H new ATOM 0 HB VAL A 48 -16.539 -24.121 -26.532 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.767 -22.056 -27.847 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.549 -21.923 -26.254 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.975 -21.143 -26.541 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.784 -23.477 -28.152 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.902 -22.643 -26.850 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.119 -24.409 -26.789 1.00 0.00 H new ATOM 803 N ALA A 49 -16.979 -21.558 -23.723 1.00 0.00 N ATOM 804 CA ALA A 49 -18.145 -21.037 -23.023 1.00 0.00 C ATOM 805 C ALA A 49 -18.652 -19.765 -23.694 1.00 0.00 C ATOM 806 O ALA A 49 -17.903 -18.803 -23.859 1.00 0.00 O ATOM 807 CB ALA A 49 -17.812 -20.773 -21.562 1.00 0.00 C ATOM 0 H ALA A 49 -16.261 -20.862 -23.924 1.00 0.00 H new ATOM 0 HA ALA A 49 -18.936 -21.785 -23.069 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.694 -20.384 -21.052 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -17.499 -21.702 -21.087 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.005 -20.043 -21.499 1.00 0.00 H new ATOM 813 N ASP A 50 -19.923 -19.762 -24.080 1.00 0.00 N ATOM 814 CA ASP A 50 -20.516 -18.600 -24.732 1.00 0.00 C ATOM 815 C ASP A 50 -21.672 -18.051 -23.908 1.00 0.00 C ATOM 816 O ASP A 50 -22.380 -18.804 -23.239 1.00 0.00 O ATOM 817 CB ASP A 50 -21.008 -18.969 -26.132 1.00 0.00 C ATOM 818 CG ASP A 50 -19.870 -19.184 -27.110 1.00 0.00 C ATOM 819 OD1 ASP A 50 -18.889 -18.411 -27.058 1.00 0.00 O ATOM 820 OD2 ASP A 50 -19.958 -20.124 -27.928 1.00 0.00 O ATOM 0 H ASP A 50 -20.561 -20.548 -23.953 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.749 -17.830 -24.815 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -21.610 -19.876 -26.075 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -21.659 -18.178 -26.505 1.00 0.00 H new ATOM 825 N ALA A 51 -21.864 -16.738 -23.955 1.00 0.00 N ATOM 826 CA ALA A 51 -22.943 -16.111 -23.205 1.00 0.00 C ATOM 827 C ALA A 51 -23.535 -14.927 -23.960 1.00 0.00 C ATOM 828 O ALA A 51 -22.813 -14.158 -24.596 1.00 0.00 O ATOM 829 CB ALA A 51 -22.447 -15.668 -21.837 1.00 0.00 C ATOM 0 H ALA A 51 -21.292 -16.093 -24.500 1.00 0.00 H new ATOM 0 HA ALA A 51 -23.732 -16.852 -23.076 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -23.264 -15.201 -21.287 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -22.085 -16.534 -21.283 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.635 -14.951 -21.959 1.00 0.00 H new ATOM 835 N THR A 52 -24.852 -14.783 -23.882 1.00 0.00 N ATOM 836 CA THR A 52 -25.539 -13.685 -24.552 1.00 0.00 C ATOM 837 C THR A 52 -26.566 -13.055 -23.620 1.00 0.00 C ATOM 838 O THR A 52 -27.334 -13.760 -22.966 1.00 0.00 O ATOM 839 CB THR A 52 -26.224 -14.184 -25.826 1.00 0.00 C ATOM 840 OG1 THR A 52 -25.362 -15.038 -26.557 1.00 0.00 O ATOM 841 CG2 THR A 52 -26.654 -13.065 -26.751 1.00 0.00 C ATOM 0 H THR A 52 -25.465 -15.411 -23.363 1.00 0.00 H new ATOM 0 HA THR A 52 -24.801 -12.930 -24.823 1.00 0.00 H new ATOM 0 HB THR A 52 -27.113 -14.716 -25.487 1.00 0.00 H new ATOM 0 HG1 THR A 52 -25.818 -15.348 -27.367 1.00 0.00 H new ATOM 0 HG21 THR A 52 -27.133 -13.487 -27.635 1.00 0.00 H new ATOM 0 HG22 THR A 52 -27.359 -12.415 -26.232 1.00 0.00 H new ATOM 0 HG23 THR A 52 -25.781 -12.487 -27.053 1.00 0.00 H new ATOM 849 N ILE A 53 -26.575 -11.728 -23.555 1.00 0.00 N ATOM 850 CA ILE A 53 -27.513 -11.020 -22.693 1.00 0.00 C ATOM 851 C ILE A 53 -28.198 -9.883 -23.443 1.00 0.00 C ATOM 852 O ILE A 53 -27.547 -9.103 -24.138 1.00 0.00 O ATOM 853 CB ILE A 53 -26.819 -10.438 -21.441 1.00 0.00 C ATOM 854 CG1 ILE A 53 -25.564 -11.242 -21.083 1.00 0.00 C ATOM 855 CG2 ILE A 53 -27.789 -10.411 -20.271 1.00 0.00 C ATOM 856 CD1 ILE A 53 -25.856 -12.647 -20.602 1.00 0.00 C ATOM 0 H ILE A 53 -25.947 -11.124 -24.086 1.00 0.00 H new ATOM 0 HA ILE A 53 -28.255 -11.754 -22.378 1.00 0.00 H new ATOM 0 HB ILE A 53 -26.509 -9.417 -21.664 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -24.916 -11.295 -21.958 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -25.012 -10.710 -20.308 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -27.290 -9.999 -19.394 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -28.648 -9.790 -20.525 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -28.126 -11.425 -20.054 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -24.920 -13.153 -20.368 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -26.478 -12.604 -19.708 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -26.381 -13.197 -21.383 1.00 0.00 H new ATOM 868 N ASN A 54 -29.511 -9.786 -23.282 1.00 0.00 N ATOM 869 CA ASN A 54 -30.292 -8.735 -23.922 1.00 0.00 C ATOM 870 C ASN A 54 -30.653 -7.652 -22.914 1.00 0.00 C ATOM 871 O ASN A 54 -31.346 -7.911 -21.930 1.00 0.00 O ATOM 872 CB ASN A 54 -31.564 -9.312 -24.542 1.00 0.00 C ATOM 873 CG ASN A 54 -31.284 -10.507 -25.433 1.00 0.00 C ATOM 874 OD1 ASN A 54 -31.736 -11.619 -25.161 1.00 0.00 O ATOM 875 ND2 ASN A 54 -30.532 -10.282 -26.505 1.00 0.00 N ATOM 0 H ASN A 54 -30.061 -10.427 -22.710 1.00 0.00 H new ATOM 0 HA ASN A 54 -29.685 -8.294 -24.713 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -32.250 -9.607 -23.748 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -32.064 -8.538 -25.124 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -30.308 -11.047 -27.141 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -30.178 -9.344 -26.692 1.00 0.00 H new ATOM 882 N THR A 55 -30.180 -6.437 -23.167 1.00 0.00 N ATOM 883 CA THR A 55 -30.454 -5.312 -22.282 1.00 0.00 C ATOM 884 C THR A 55 -31.329 -4.273 -22.978 1.00 0.00 C ATOM 885 O THR A 55 -31.326 -4.171 -24.205 1.00 0.00 O ATOM 886 CB THR A 55 -29.145 -4.670 -21.816 1.00 0.00 C ATOM 887 OG1 THR A 55 -28.507 -3.993 -22.885 1.00 0.00 O ATOM 888 CG2 THR A 55 -28.158 -5.666 -21.250 1.00 0.00 C ATOM 0 H THR A 55 -29.605 -6.206 -23.977 1.00 0.00 H new ATOM 0 HA THR A 55 -30.993 -5.688 -21.412 1.00 0.00 H new ATOM 0 HB THR A 55 -29.431 -3.976 -21.025 1.00 0.00 H new ATOM 0 HG1 THR A 55 -29.043 -4.089 -23.700 1.00 0.00 H new ATOM 0 HG21 THR A 55 -27.253 -5.145 -20.939 1.00 0.00 H new ATOM 0 HG22 THR A 55 -28.601 -6.169 -20.390 1.00 0.00 H new ATOM 0 HG23 THR A 55 -27.908 -6.404 -22.012 1.00 0.00 H new ATOM 896 N PRO A 56 -32.094 -3.487 -22.203 1.00 0.00 N ATOM 897 CA PRO A 56 -32.979 -2.454 -22.755 1.00 0.00 C ATOM 898 C PRO A 56 -32.217 -1.374 -23.520 1.00 0.00 C ATOM 899 O PRO A 56 -32.812 -0.598 -24.267 1.00 0.00 O ATOM 900 CB PRO A 56 -33.655 -1.850 -21.518 1.00 0.00 C ATOM 901 CG PRO A 56 -33.466 -2.857 -20.435 1.00 0.00 C ATOM 902 CD PRO A 56 -32.164 -3.542 -20.734 1.00 0.00 C ATOM 0 HA PRO A 56 -33.679 -2.875 -23.477 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -33.203 -0.895 -21.250 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -34.713 -1.662 -21.700 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -33.440 -2.378 -19.456 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -34.289 -3.572 -20.418 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -31.322 -3.029 -20.270 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -32.154 -4.568 -20.367 1.00 0.00 H new ATOM 910 N ASN A 57 -30.902 -1.320 -23.324 1.00 0.00 N ATOM 911 CA ASN A 57 -30.073 -0.322 -23.995 1.00 0.00 C ATOM 912 C ASN A 57 -29.023 -0.972 -24.893 1.00 0.00 C ATOM 913 O ASN A 57 -28.009 -0.355 -25.218 1.00 0.00 O ATOM 914 CB ASN A 57 -29.387 0.571 -22.962 1.00 0.00 C ATOM 915 CG ASN A 57 -30.346 1.549 -22.312 1.00 0.00 C ATOM 916 OD1 ASN A 57 -31.305 1.025 -21.558 1.00 0.00 O flip ATOM 917 ND2 ASN A 57 -30.228 2.762 -22.488 1.00 0.00 N flip ATOM 0 H ASN A 57 -30.389 -1.952 -22.709 1.00 0.00 H new ATOM 0 HA ASN A 57 -30.727 0.281 -24.624 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -28.932 -0.053 -22.192 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -28.580 1.124 -23.443 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -29.476 3.121 -23.076 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -30.883 3.408 -22.046 1.00 0.00 H new ATOM 924 N GLY A 58 -29.268 -2.215 -25.299 1.00 0.00 N ATOM 925 CA GLY A 58 -28.324 -2.906 -26.160 1.00 0.00 C ATOM 926 C GLY A 58 -28.182 -4.376 -25.825 1.00 0.00 C ATOM 927 O GLY A 58 -29.002 -4.941 -25.103 1.00 0.00 O ATOM 0 H GLY A 58 -30.098 -2.753 -25.049 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -28.645 -2.805 -27.197 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -27.349 -2.425 -26.080 1.00 0.00 H new ATOM 931 N VAL A 59 -27.134 -4.995 -26.360 1.00 0.00 N ATOM 932 CA VAL A 59 -26.874 -6.409 -26.124 1.00 0.00 C ATOM 933 C VAL A 59 -25.379 -6.674 -25.982 1.00 0.00 C ATOM 934 O VAL A 59 -24.562 -6.066 -26.674 1.00 0.00 O ATOM 935 CB VAL A 59 -27.431 -7.282 -27.265 1.00 0.00 C ATOM 936 CG1 VAL A 59 -27.404 -8.752 -26.876 1.00 0.00 C ATOM 937 CG2 VAL A 59 -28.842 -6.848 -27.634 1.00 0.00 C ATOM 0 H VAL A 59 -26.450 -4.537 -26.962 1.00 0.00 H new ATOM 0 HA VAL A 59 -27.379 -6.673 -25.195 1.00 0.00 H new ATOM 0 HB VAL A 59 -26.795 -7.149 -28.140 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -27.801 -9.352 -27.695 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -26.378 -9.055 -26.669 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -28.014 -8.904 -25.985 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -29.217 -7.477 -28.441 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -29.492 -6.947 -26.765 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -28.829 -5.808 -27.960 1.00 0.00 H new ATOM 947 N LEU A 60 -25.025 -7.583 -25.078 1.00 0.00 N ATOM 948 CA LEU A 60 -23.626 -7.923 -24.844 1.00 0.00 C ATOM 949 C LEU A 60 -23.352 -9.388 -25.172 1.00 0.00 C ATOM 950 O LEU A 60 -24.226 -10.242 -25.027 1.00 0.00 O ATOM 951 CB LEU A 60 -23.247 -7.638 -23.388 1.00 0.00 C ATOM 952 CG LEU A 60 -23.766 -6.310 -22.832 1.00 0.00 C ATOM 953 CD1 LEU A 60 -24.169 -6.462 -21.373 1.00 0.00 C ATOM 954 CD2 LEU A 60 -22.713 -5.223 -22.985 1.00 0.00 C ATOM 0 H LEU A 60 -25.687 -8.097 -24.496 1.00 0.00 H new ATOM 0 HA LEU A 60 -23.017 -7.304 -25.503 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -23.625 -8.448 -22.765 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -22.160 -7.651 -23.302 1.00 0.00 H new ATOM 0 HG LEU A 60 -24.648 -6.019 -23.402 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -24.535 -5.507 -20.995 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -24.956 -7.212 -21.289 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -23.305 -6.776 -20.788 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -23.098 -4.285 -22.585 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -21.813 -5.508 -22.440 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -22.472 -5.096 -24.040 1.00 0.00 H new ATOM 966 N VAL A 61 -22.130 -9.667 -25.616 1.00 0.00 N ATOM 967 CA VAL A 61 -21.731 -11.025 -25.965 1.00 0.00 C ATOM 968 C VAL A 61 -20.317 -11.318 -25.477 1.00 0.00 C ATOM 969 O VAL A 61 -19.461 -10.435 -25.462 1.00 0.00 O ATOM 970 CB VAL A 61 -21.797 -11.259 -27.488 1.00 0.00 C ATOM 971 CG1 VAL A 61 -21.654 -12.739 -27.808 1.00 0.00 C ATOM 972 CG2 VAL A 61 -23.094 -10.706 -28.059 1.00 0.00 C ATOM 0 H VAL A 61 -21.398 -8.968 -25.743 1.00 0.00 H new ATOM 0 HA VAL A 61 -22.432 -11.699 -25.474 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.967 -10.728 -27.954 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.703 -12.884 -28.887 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.695 -13.101 -27.436 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -22.461 -13.294 -27.330 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -23.122 -10.881 -29.135 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -23.941 -11.205 -27.588 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -23.150 -9.635 -27.864 1.00 0.00 H new ATOM 982 N ALA A 62 -20.076 -12.562 -25.075 1.00 0.00 N ATOM 983 CA ALA A 62 -18.764 -12.964 -24.581 1.00 0.00 C ATOM 984 C ALA A 62 -18.516 -14.454 -24.794 1.00 0.00 C ATOM 985 O ALA A 62 -19.448 -15.257 -24.823 1.00 0.00 O ATOM 986 CB ALA A 62 -18.621 -12.607 -23.109 1.00 0.00 C ATOM 0 H ALA A 62 -20.771 -13.308 -25.082 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.013 -12.419 -25.153 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.637 -12.913 -22.754 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -18.733 -11.530 -22.983 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -19.390 -13.122 -22.533 1.00 0.00 H new ATOM 992 N SER A 63 -17.243 -14.805 -24.956 1.00 0.00 N ATOM 993 CA SER A 63 -16.850 -16.191 -25.182 1.00 0.00 C ATOM 994 C SER A 63 -15.536 -16.525 -24.481 1.00 0.00 C ATOM 995 O SER A 63 -14.743 -15.639 -24.165 1.00 0.00 O ATOM 996 CB SER A 63 -16.718 -16.462 -26.682 1.00 0.00 C ATOM 997 OG SER A 63 -15.973 -15.440 -27.322 1.00 0.00 O ATOM 0 H SER A 63 -16.465 -14.146 -24.935 1.00 0.00 H new ATOM 0 HA SER A 63 -17.628 -16.828 -24.762 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.231 -17.424 -26.839 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.709 -16.529 -27.131 1.00 0.00 H new ATOM 0 HG SER A 63 -15.902 -15.638 -28.279 1.00 0.00 H new ATOM 1003 N GLY A 64 -15.315 -17.816 -24.249 1.00 0.00 N ATOM 1004 CA GLY A 64 -14.100 -18.272 -23.596 1.00 0.00 C ATOM 1005 C GLY A 64 -13.751 -19.693 -23.995 1.00 0.00 C ATOM 1006 O GLY A 64 -14.449 -20.635 -23.623 1.00 0.00 O ATOM 0 H GLY A 64 -15.963 -18.561 -24.505 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.276 -17.608 -23.855 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.225 -18.217 -22.515 1.00 0.00 H new ATOM 1010 N LYS A 65 -12.683 -19.846 -24.771 1.00 0.00 N ATOM 1011 CA LYS A 65 -12.255 -21.162 -25.243 1.00 0.00 C ATOM 1012 C LYS A 65 -10.945 -21.609 -24.600 1.00 0.00 C ATOM 1013 O LYS A 65 -10.057 -22.129 -25.278 1.00 0.00 O ATOM 1014 CB LYS A 65 -12.106 -21.148 -26.765 1.00 0.00 C ATOM 1015 CG LYS A 65 -13.319 -20.590 -27.491 1.00 0.00 C ATOM 1016 CD LYS A 65 -13.305 -20.961 -28.965 1.00 0.00 C ATOM 1017 CE LYS A 65 -14.605 -20.571 -29.650 1.00 0.00 C ATOM 1018 NZ LYS A 65 -14.819 -21.333 -30.911 1.00 0.00 N ATOM 0 H LYS A 65 -12.096 -19.075 -25.088 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.024 -21.877 -24.952 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.230 -20.556 -27.030 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.921 -22.164 -27.113 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.229 -20.971 -27.027 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.339 -19.505 -27.388 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.469 -20.465 -29.458 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.145 -22.034 -29.070 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.440 -20.749 -28.972 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.594 -19.503 -29.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.716 -21.038 -31.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.036 -21.144 -31.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.855 -22.351 -30.700 1.00 0.00 H new ATOM 1032 N HIS A 66 -10.837 -21.433 -23.289 1.00 0.00 N ATOM 1033 CA HIS A 66 -9.641 -21.853 -22.566 1.00 0.00 C ATOM 1034 C HIS A 66 -9.636 -23.369 -22.391 1.00 0.00 C ATOM 1035 O HIS A 66 -10.689 -24.009 -22.425 1.00 0.00 O ATOM 1036 CB HIS A 66 -9.556 -21.169 -21.202 1.00 0.00 C ATOM 1037 CG HIS A 66 -8.174 -21.165 -20.624 1.00 0.00 C ATOM 1038 ND1 HIS A 66 -7.821 -21.884 -19.501 1.00 0.00 N ATOM 1039 CD2 HIS A 66 -7.050 -20.523 -21.024 1.00 0.00 C ATOM 1040 CE1 HIS A 66 -6.542 -21.683 -19.236 1.00 0.00 C ATOM 1041 NE2 HIS A 66 -6.052 -20.863 -20.145 1.00 0.00 N ATOM 0 H HIS A 66 -11.557 -21.005 -22.707 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.770 -21.558 -23.152 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.905 -20.141 -21.297 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.230 -21.672 -20.509 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.957 -19.866 -21.876 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.991 -22.117 -18.414 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.087 -20.534 -20.188 1.00 0.00 H new ATOM 1050 N GLU A 67 -8.454 -23.945 -22.207 1.00 0.00 N ATOM 1051 CA GLU A 67 -8.328 -25.388 -22.030 1.00 0.00 C ATOM 1052 C GLU A 67 -9.085 -25.863 -20.792 1.00 0.00 C ATOM 1053 O GLU A 67 -9.504 -27.017 -20.716 1.00 0.00 O ATOM 1054 CB GLU A 67 -6.855 -25.782 -21.922 1.00 0.00 C ATOM 1055 CG GLU A 67 -5.991 -25.224 -23.041 1.00 0.00 C ATOM 1056 CD GLU A 67 -5.010 -26.244 -23.584 1.00 0.00 C ATOM 1057 OE1 GLU A 67 -4.730 -27.233 -22.877 1.00 0.00 O ATOM 1058 OE2 GLU A 67 -4.522 -26.052 -24.718 1.00 0.00 O ATOM 0 H GLU A 67 -7.570 -23.437 -22.176 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.766 -25.871 -22.904 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.464 -25.435 -20.965 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.778 -26.869 -21.923 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.632 -24.875 -23.851 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.442 -24.357 -22.673 1.00 0.00 H new ATOM 1065 N ASP A 68 -9.244 -24.972 -19.817 1.00 0.00 N ATOM 1066 CA ASP A 68 -9.939 -25.313 -18.579 1.00 0.00 C ATOM 1067 C ASP A 68 -11.391 -24.839 -18.607 1.00 0.00 C ATOM 1068 O ASP A 68 -11.667 -23.649 -18.757 1.00 0.00 O ATOM 1069 CB ASP A 68 -9.211 -24.704 -17.378 1.00 0.00 C ATOM 1070 CG ASP A 68 -9.867 -25.063 -16.059 1.00 0.00 C ATOM 1071 OD1 ASP A 68 -10.867 -24.408 -15.696 1.00 0.00 O ATOM 1072 OD2 ASP A 68 -9.382 -25.998 -15.389 1.00 0.00 O ATOM 0 H ASP A 68 -8.902 -24.012 -19.860 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.940 -26.399 -18.485 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.177 -25.048 -17.371 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.185 -23.619 -17.484 1.00 0.00 H new ATOM 1077 N MET A 69 -12.313 -25.789 -18.463 1.00 0.00 N ATOM 1078 CA MET A 69 -13.745 -25.496 -18.470 1.00 0.00 C ATOM 1079 C MET A 69 -14.093 -24.325 -17.552 1.00 0.00 C ATOM 1080 O MET A 69 -14.782 -23.390 -17.956 1.00 0.00 O ATOM 1081 CB MET A 69 -14.533 -26.735 -18.044 1.00 0.00 C ATOM 1082 CG MET A 69 -16.041 -26.541 -18.084 1.00 0.00 C ATOM 1083 SD MET A 69 -16.928 -27.802 -17.150 1.00 0.00 S ATOM 1084 CE MET A 69 -18.572 -27.093 -17.101 1.00 0.00 C ATOM 0 H MET A 69 -12.091 -26.777 -18.339 1.00 0.00 H new ATOM 0 HA MET A 69 -14.017 -25.215 -19.487 1.00 0.00 H new ATOM 0 HB2 MET A 69 -14.265 -27.567 -18.695 1.00 0.00 H new ATOM 0 HB3 MET A 69 -14.238 -27.013 -17.032 1.00 0.00 H new ATOM 0 HG2 MET A 69 -16.288 -25.557 -17.684 1.00 0.00 H new ATOM 0 HG3 MET A 69 -16.378 -26.557 -19.120 1.00 0.00 H new ATOM 0 HE1 MET A 69 -19.199 -27.674 -16.424 1.00 0.00 H new ATOM 0 HE2 MET A 69 -18.514 -26.063 -16.748 1.00 0.00 H new ATOM 0 HE3 MET A 69 -19.006 -27.110 -18.101 1.00 0.00 H new ATOM 1094 N TYR A 70 -13.622 -24.391 -16.309 1.00 0.00 N ATOM 1095 CA TYR A 70 -13.896 -23.344 -15.329 1.00 0.00 C ATOM 1096 C TYR A 70 -13.244 -22.026 -15.731 1.00 0.00 C ATOM 1097 O TYR A 70 -13.838 -20.959 -15.576 1.00 0.00 O ATOM 1098 CB TYR A 70 -13.399 -23.771 -13.946 1.00 0.00 C ATOM 1099 CG TYR A 70 -14.339 -24.712 -13.228 1.00 0.00 C ATOM 1100 CD1 TYR A 70 -14.346 -26.071 -13.517 1.00 0.00 C ATOM 1101 CD2 TYR A 70 -15.219 -24.242 -12.261 1.00 0.00 C ATOM 1102 CE1 TYR A 70 -15.204 -26.935 -12.862 1.00 0.00 C ATOM 1103 CE2 TYR A 70 -16.080 -25.100 -11.603 1.00 0.00 C ATOM 1104 CZ TYR A 70 -16.068 -26.445 -11.906 1.00 0.00 C ATOM 1105 OH TYR A 70 -16.923 -27.302 -11.254 1.00 0.00 O ATOM 0 H TYR A 70 -13.049 -25.158 -15.957 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.975 -23.193 -15.293 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.427 -24.253 -14.051 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.250 -22.882 -13.333 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -13.670 -26.459 -14.265 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -15.230 -23.189 -12.020 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -15.197 -27.989 -13.098 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.759 -24.719 -10.855 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.464 -26.798 -10.611 1.00 0.00 H new ATOM 1115 N THR A 71 -12.022 -22.102 -16.248 1.00 0.00 N ATOM 1116 CA THR A 71 -11.303 -20.906 -16.670 1.00 0.00 C ATOM 1117 C THR A 71 -12.016 -20.233 -17.836 1.00 0.00 C ATOM 1118 O THR A 71 -12.119 -19.010 -17.889 1.00 0.00 O ATOM 1119 CB THR A 71 -9.871 -21.256 -17.068 1.00 0.00 C ATOM 1120 OG1 THR A 71 -9.216 -21.956 -16.025 1.00 0.00 O ATOM 1121 CG2 THR A 71 -9.031 -20.044 -17.407 1.00 0.00 C ATOM 0 H THR A 71 -11.511 -22.974 -16.384 1.00 0.00 H new ATOM 0 HA THR A 71 -11.276 -20.212 -15.830 1.00 0.00 H new ATOM 0 HB THR A 71 -9.963 -21.875 -17.960 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.261 -22.032 -16.232 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.025 -20.363 -17.681 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.483 -19.511 -18.243 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.979 -19.384 -16.541 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.516 -21.042 -18.764 1.00 0.00 N ATOM 1130 CA ALA A 72 -13.229 -20.523 -19.922 1.00 0.00 C ATOM 1131 C ALA A 72 -14.484 -19.773 -19.489 1.00 0.00 C ATOM 1132 O ALA A 72 -14.720 -18.645 -19.920 1.00 0.00 O ATOM 1133 CB ALA A 72 -13.578 -21.648 -20.885 1.00 0.00 C ATOM 0 H ALA A 72 -12.440 -22.059 -18.736 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.576 -19.821 -20.441 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.111 -21.240 -21.744 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.663 -22.134 -21.223 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.211 -22.377 -20.379 1.00 0.00 H new ATOM 1139 N ILE A 73 -15.282 -20.398 -18.630 1.00 0.00 N ATOM 1140 CA ILE A 73 -16.503 -19.768 -18.142 1.00 0.00 C ATOM 1141 C ILE A 73 -16.172 -18.473 -17.407 1.00 0.00 C ATOM 1142 O ILE A 73 -16.813 -17.443 -17.621 1.00 0.00 O ATOM 1143 CB ILE A 73 -17.287 -20.707 -17.203 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -17.700 -21.978 -17.948 1.00 0.00 C ATOM 1145 CG2 ILE A 73 -18.509 -20.001 -16.635 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -17.723 -23.212 -17.074 1.00 0.00 C ATOM 0 H ILE A 73 -15.108 -21.332 -18.260 1.00 0.00 H new ATOM 0 HA ILE A 73 -17.128 -19.548 -19.007 1.00 0.00 H new ATOM 0 HB ILE A 73 -16.638 -20.985 -16.373 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -18.690 -21.830 -18.380 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -17.012 -22.143 -18.777 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -19.048 -20.681 -15.975 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -18.193 -19.123 -16.072 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -19.163 -19.692 -17.451 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.024 -24.074 -17.669 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -16.729 -23.385 -16.663 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.433 -23.068 -16.259 1.00 0.00 H new ATOM 1158 N ASN A 74 -15.158 -18.528 -16.551 1.00 0.00 N ATOM 1159 CA ASN A 74 -14.733 -17.355 -15.799 1.00 0.00 C ATOM 1160 C ASN A 74 -14.203 -16.283 -16.747 1.00 0.00 C ATOM 1161 O ASN A 74 -14.440 -15.091 -16.546 1.00 0.00 O ATOM 1162 CB ASN A 74 -13.661 -17.738 -14.776 1.00 0.00 C ATOM 1163 CG ASN A 74 -14.214 -17.840 -13.369 1.00 0.00 C ATOM 1164 OD1 ASN A 74 -15.423 -17.965 -13.173 1.00 0.00 O ATOM 1165 ND2 ASN A 74 -13.330 -17.786 -12.379 1.00 0.00 N ATOM 0 H ASN A 74 -14.616 -19.371 -16.361 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.594 -16.953 -15.265 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.217 -18.693 -15.059 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.862 -16.997 -14.796 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.644 -17.849 -11.411 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.337 -17.682 -12.587 1.00 0.00 H new ATOM 1172 N GLU A 75 -13.498 -16.717 -17.789 1.00 0.00 N ATOM 1173 CA GLU A 75 -12.950 -15.795 -18.778 1.00 0.00 C ATOM 1174 C GLU A 75 -14.078 -15.111 -19.541 1.00 0.00 C ATOM 1175 O GLU A 75 -14.036 -13.902 -19.769 1.00 0.00 O ATOM 1176 CB GLU A 75 -12.016 -16.526 -19.745 1.00 0.00 C ATOM 1177 CG GLU A 75 -10.608 -16.717 -19.202 1.00 0.00 C ATOM 1178 CD GLU A 75 -9.667 -17.323 -20.224 1.00 0.00 C ATOM 1179 OE1 GLU A 75 -9.847 -17.054 -21.430 1.00 0.00 O ATOM 1180 OE2 GLU A 75 -8.751 -18.068 -19.818 1.00 0.00 O ATOM 0 H GLU A 75 -13.294 -17.700 -17.969 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.369 -15.035 -18.255 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.441 -17.502 -19.981 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.964 -15.967 -20.679 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.214 -15.754 -18.877 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.646 -17.359 -18.322 1.00 0.00 H new ATOM 1187 N LEU A 76 -15.103 -15.873 -19.910 1.00 0.00 N ATOM 1188 CA LEU A 76 -16.244 -15.307 -20.612 1.00 0.00 C ATOM 1189 C LEU A 76 -16.794 -14.129 -19.812 1.00 0.00 C ATOM 1190 O LEU A 76 -16.871 -13.008 -20.314 1.00 0.00 O ATOM 1191 CB LEU A 76 -17.324 -16.373 -20.831 1.00 0.00 C ATOM 1192 CG LEU A 76 -18.732 -15.836 -21.110 1.00 0.00 C ATOM 1193 CD1 LEU A 76 -19.333 -16.516 -22.328 1.00 0.00 C ATOM 1194 CD2 LEU A 76 -19.626 -16.029 -19.894 1.00 0.00 C ATOM 0 H LEU A 76 -15.165 -16.876 -19.735 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.926 -14.952 -21.592 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -17.023 -17.005 -21.667 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -17.365 -17.011 -19.948 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.658 -14.768 -21.317 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -20.333 -16.121 -22.509 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -18.704 -16.326 -23.198 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -19.394 -17.590 -22.152 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -20.622 -15.642 -20.110 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -19.693 -17.091 -19.656 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -19.205 -15.493 -19.044 1.00 0.00 H new ATOM 1206 N ILE A 77 -17.144 -14.383 -18.556 1.00 0.00 N ATOM 1207 CA ILE A 77 -17.652 -13.330 -17.683 1.00 0.00 C ATOM 1208 C ILE A 77 -16.642 -12.190 -17.591 1.00 0.00 C ATOM 1209 O ILE A 77 -17.023 -11.028 -17.449 1.00 0.00 O ATOM 1210 CB ILE A 77 -17.969 -13.857 -16.271 1.00 0.00 C ATOM 1211 CG1 ILE A 77 -18.951 -15.025 -16.353 1.00 0.00 C ATOM 1212 CG2 ILE A 77 -18.526 -12.742 -15.397 1.00 0.00 C ATOM 1213 CD1 ILE A 77 -18.944 -15.904 -15.122 1.00 0.00 C ATOM 0 H ILE A 77 -17.086 -15.304 -18.121 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.581 -12.964 -18.121 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.046 -14.214 -15.815 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -19.957 -14.634 -16.505 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.710 -15.632 -17.225 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -18.744 -13.133 -14.403 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -17.792 -11.940 -15.318 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -19.442 -12.353 -15.843 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.664 -16.713 -15.248 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -17.948 -16.324 -14.980 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -19.215 -15.310 -14.249 1.00 0.00 H new ATOM 1225 N ASN A 78 -15.360 -12.517 -17.708 1.00 0.00 N ATOM 1226 CA ASN A 78 -14.317 -11.502 -17.673 1.00 0.00 C ATOM 1227 C ASN A 78 -14.566 -10.484 -18.783 1.00 0.00 C ATOM 1228 O ASN A 78 -14.331 -9.286 -18.623 1.00 0.00 O ATOM 1229 CB ASN A 78 -12.936 -12.157 -17.826 1.00 0.00 C ATOM 1230 CG ASN A 78 -12.161 -11.678 -19.044 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -11.869 -10.490 -19.179 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -11.822 -12.605 -19.932 1.00 0.00 N ATOM 0 H ASN A 78 -15.021 -13.471 -17.827 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.339 -10.987 -16.713 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.348 -11.956 -16.931 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.062 -13.238 -17.889 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.298 -12.344 -20.767 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.085 -13.578 -19.779 1.00 0.00 H new ATOM 1239 N LYS A 79 -15.064 -10.994 -19.901 1.00 0.00 N ATOM 1240 CA LYS A 79 -15.386 -10.175 -21.063 1.00 0.00 C ATOM 1241 C LYS A 79 -16.716 -9.468 -20.855 1.00 0.00 C ATOM 1242 O LYS A 79 -16.904 -8.347 -21.326 1.00 0.00 O ATOM 1243 CB LYS A 79 -15.426 -11.025 -22.334 1.00 0.00 C ATOM 1244 CG LYS A 79 -14.052 -11.413 -22.852 1.00 0.00 C ATOM 1245 CD LYS A 79 -13.780 -12.896 -22.658 1.00 0.00 C ATOM 1246 CE LYS A 79 -12.888 -13.447 -23.760 1.00 0.00 C ATOM 1247 NZ LYS A 79 -11.502 -12.913 -23.672 1.00 0.00 N ATOM 0 H LYS A 79 -15.256 -11.988 -20.029 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.604 -9.425 -21.181 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.999 -11.931 -22.137 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.956 -10.475 -23.112 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.978 -11.164 -23.911 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.289 -10.832 -22.334 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.306 -13.057 -21.690 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.724 -13.442 -22.645 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.862 -14.535 -23.696 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.313 -13.194 -24.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.926 -13.313 -24.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.523 -11.877 -23.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.086 -13.176 -22.756 1.00 0.00 H new ATOM 1261 N LEU A 80 -17.624 -10.096 -20.117 1.00 0.00 N ATOM 1262 CA LEU A 80 -18.906 -9.467 -19.829 1.00 0.00 C ATOM 1263 C LEU A 80 -18.637 -8.208 -19.017 1.00 0.00 C ATOM 1264 O LEU A 80 -19.089 -7.115 -19.358 1.00 0.00 O ATOM 1265 CB LEU A 80 -19.821 -10.421 -19.058 1.00 0.00 C ATOM 1266 CG LEU A 80 -20.088 -11.761 -19.748 1.00 0.00 C ATOM 1267 CD1 LEU A 80 -20.920 -12.666 -18.853 1.00 0.00 C ATOM 1268 CD2 LEU A 80 -20.784 -11.543 -21.083 1.00 0.00 C ATOM 0 H LEU A 80 -17.500 -11.024 -19.713 1.00 0.00 H new ATOM 0 HA LEU A 80 -19.414 -9.214 -20.759 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -19.378 -10.615 -18.081 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -20.775 -9.923 -18.883 1.00 0.00 H new ATOM 0 HG LEU A 80 -19.131 -12.249 -19.934 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -21.100 -13.614 -19.360 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -20.384 -12.849 -17.922 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -21.873 -12.185 -18.635 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -20.966 -12.506 -21.560 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -21.734 -11.034 -20.919 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -20.151 -10.933 -21.728 1.00 0.00 H new ATOM 1280 N GLU A 81 -17.849 -8.380 -17.961 1.00 0.00 N ATOM 1281 CA GLU A 81 -17.441 -7.286 -17.102 1.00 0.00 C ATOM 1282 C GLU A 81 -16.663 -6.251 -17.902 1.00 0.00 C ATOM 1283 O GLU A 81 -16.923 -5.051 -17.809 1.00 0.00 O ATOM 1284 CB GLU A 81 -16.577 -7.831 -15.976 1.00 0.00 C ATOM 1285 CG GLU A 81 -16.741 -7.078 -14.671 1.00 0.00 C ATOM 1286 CD GLU A 81 -16.591 -7.972 -13.456 1.00 0.00 C ATOM 1287 OE1 GLU A 81 -15.716 -8.863 -13.479 1.00 0.00 O ATOM 1288 OE2 GLU A 81 -17.346 -7.780 -12.481 1.00 0.00 O ATOM 0 H GLU A 81 -17.477 -9.287 -17.680 1.00 0.00 H new ATOM 0 HA GLU A 81 -18.326 -6.806 -16.683 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.824 -8.880 -15.815 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.531 -7.792 -16.280 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -16.001 -6.279 -14.622 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -17.723 -6.605 -14.650 1.00 0.00 H new ATOM 1295 N ARG A 82 -15.707 -6.725 -18.687 1.00 0.00 N ATOM 1296 CA ARG A 82 -14.885 -5.844 -19.509 1.00 0.00 C ATOM 1297 C ARG A 82 -15.739 -5.111 -20.540 1.00 0.00 C ATOM 1298 O ARG A 82 -15.374 -4.032 -21.008 1.00 0.00 O ATOM 1299 CB ARG A 82 -13.787 -6.642 -20.213 1.00 0.00 C ATOM 1300 CG ARG A 82 -12.553 -6.866 -19.355 1.00 0.00 C ATOM 1301 CD ARG A 82 -11.423 -7.489 -20.158 1.00 0.00 C ATOM 1302 NE ARG A 82 -10.127 -7.317 -19.506 1.00 0.00 N ATOM 1303 CZ ARG A 82 -8.959 -7.515 -20.114 1.00 0.00 C ATOM 1304 NH1 ARG A 82 -8.920 -7.890 -21.387 1.00 0.00 N ATOM 1305 NH2 ARG A 82 -7.826 -7.335 -19.447 1.00 0.00 N ATOM 0 H ARG A 82 -15.480 -7.716 -18.773 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.422 -5.106 -18.854 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.189 -7.609 -20.516 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -13.496 -6.119 -21.124 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.222 -5.916 -18.936 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -12.805 -7.514 -18.516 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -11.620 -8.552 -20.297 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -11.392 -7.038 -21.150 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.116 -7.028 -18.528 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.788 -8.028 -21.905 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.022 -8.040 -21.847 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.850 -7.045 -18.469 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.931 -7.486 -19.912 1.00 0.00 H new ATOM 1319 N GLN A 83 -16.881 -5.700 -20.886 1.00 0.00 N ATOM 1320 CA GLN A 83 -17.789 -5.100 -21.857 1.00 0.00 C ATOM 1321 C GLN A 83 -18.551 -3.937 -21.232 1.00 0.00 C ATOM 1322 O GLN A 83 -18.693 -2.875 -21.838 1.00 0.00 O ATOM 1323 CB GLN A 83 -18.774 -6.147 -22.380 1.00 0.00 C ATOM 1324 CG GLN A 83 -18.312 -6.837 -23.653 1.00 0.00 C ATOM 1325 CD GLN A 83 -19.401 -7.684 -24.283 1.00 0.00 C ATOM 1326 OE1 GLN A 83 -19.852 -7.412 -25.395 1.00 0.00 O ATOM 1327 NE2 GLN A 83 -19.829 -8.720 -23.571 1.00 0.00 N ATOM 0 H GLN A 83 -17.199 -6.592 -20.508 1.00 0.00 H new ATOM 0 HA GLN A 83 -17.197 -4.722 -22.690 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -18.936 -6.899 -21.608 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.736 -5.668 -22.565 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.980 -6.086 -24.370 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -17.451 -7.466 -23.429 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -19.427 -8.909 -22.653 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -20.560 -9.327 -23.942 1.00 0.00 H new ATOM 1336 N LEU A 84 -19.037 -4.146 -20.012 1.00 0.00 N ATOM 1337 CA LEU A 84 -19.783 -3.116 -19.299 1.00 0.00 C ATOM 1338 C LEU A 84 -18.893 -1.916 -18.992 1.00 0.00 C ATOM 1339 O LEU A 84 -19.373 -0.788 -18.874 1.00 0.00 O ATOM 1340 CB LEU A 84 -20.361 -3.682 -18.001 1.00 0.00 C ATOM 1341 CG LEU A 84 -21.214 -4.941 -18.167 1.00 0.00 C ATOM 1342 CD1 LEU A 84 -21.456 -5.603 -16.820 1.00 0.00 C ATOM 1343 CD2 LEU A 84 -22.535 -4.603 -18.843 1.00 0.00 C ATOM 0 H LEU A 84 -18.927 -5.020 -19.497 1.00 0.00 H new ATOM 0 HA LEU A 84 -20.601 -2.785 -19.939 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -19.538 -3.906 -17.322 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -20.967 -2.911 -17.524 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.673 -5.643 -18.801 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -22.064 -6.497 -16.958 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.501 -5.880 -16.374 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -21.976 -4.908 -16.161 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -23.130 -5.510 -18.953 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -23.081 -3.883 -18.234 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -22.341 -4.174 -19.826 1.00 0.00 H new ATOM 1355 N ASN A 85 -17.592 -2.165 -18.868 1.00 0.00 N ATOM 1356 CA ASN A 85 -16.637 -1.105 -18.581 1.00 0.00 C ATOM 1357 C ASN A 85 -16.602 -0.094 -19.720 1.00 0.00 C ATOM 1358 O ASN A 85 -16.392 1.098 -19.503 1.00 0.00 O ATOM 1359 CB ASN A 85 -15.242 -1.692 -18.359 1.00 0.00 C ATOM 1360 CG ASN A 85 -14.450 -0.925 -17.318 1.00 0.00 C ATOM 1361 OD1 ASN A 85 -14.291 0.292 -17.414 1.00 0.00 O ATOM 1362 ND2 ASN A 85 -13.949 -1.636 -16.314 1.00 0.00 N ATOM 0 H ASN A 85 -17.178 -3.092 -18.962 1.00 0.00 H new ATOM 0 HA ASN A 85 -16.954 -0.595 -17.671 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -15.334 -2.732 -18.047 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.695 -1.689 -19.302 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.408 -1.175 -15.583 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -14.106 -2.643 -16.274 1.00 0.00 H new ATOM 1369 N LYS A 86 -16.812 -0.585 -20.938 1.00 0.00 N ATOM 1370 CA LYS A 86 -16.808 0.269 -22.116 1.00 0.00 C ATOM 1371 C LYS A 86 -18.071 1.124 -22.175 1.00 0.00 C ATOM 1372 O LYS A 86 -18.075 2.203 -22.767 1.00 0.00 O ATOM 1373 CB LYS A 86 -16.693 -0.578 -23.386 1.00 0.00 C ATOM 1374 CG LYS A 86 -15.259 -0.892 -23.780 1.00 0.00 C ATOM 1375 CD LYS A 86 -14.561 0.327 -24.360 1.00 0.00 C ATOM 1376 CE LYS A 86 -13.630 -0.055 -25.499 1.00 0.00 C ATOM 1377 NZ LYS A 86 -13.131 1.141 -26.234 1.00 0.00 N ATOM 0 H LYS A 86 -16.987 -1.571 -21.133 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.945 0.932 -22.049 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.234 -1.513 -23.239 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.180 -0.053 -24.208 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.710 -1.246 -22.907 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.250 -1.700 -24.512 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.305 1.037 -24.720 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.993 0.829 -23.577 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.784 -0.617 -25.103 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.155 -0.714 -26.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.500 0.838 -27.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.936 1.664 -26.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.608 1.758 -25.580 1.00 0.00 H new