USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 605 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 -158:sc= -0.152 (180deg=-1.39) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0.271 (180deg=0.267) USER MOD Single : A 6 THR OG1 : rot 113:sc= -0.815 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 80:sc= 0.207 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.0441 F(o=-1.7!,f=-0.044) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.1!) USER MOD Single : A 39 HIS : no HE2:sc= -5.4! C(o=-5.4!,f=-12!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.509 USER MOD Single : A 48 ASN : amide:sc= -2.01! C(o=-2!,f=-2.5!) USER MOD Single : A 49 ASN : amide:sc= -0.0479 K(o=-0.048,f=-3.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -91:sc= 0.056 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc=-0.00334 K(o=-0.0033,f=-1.4!) USER MOD Single : A 64 SER OG : rot -46:sc= 0.743 USER MOD Single : A 68 GLN : amide:sc= -0.0196 K(o=-0.02,f=-1.8!) USER MOD Single : A 70 THR OG1 : rot 74:sc= -1.57! USER MOD Single : A 73 SER OG : rot -63:sc= 0.846 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.678 4.049 -0.648 1.00 0.00 N ATOM 2 CA MET A 1 -12.959 2.750 -0.500 1.00 0.00 C ATOM 3 C MET A 1 -11.918 2.870 0.602 1.00 0.00 C ATOM 4 O MET A 1 -11.285 3.916 0.745 1.00 0.00 O ATOM 5 CB MET A 1 -12.231 2.410 -1.803 1.00 0.00 C ATOM 6 CG MET A 1 -13.232 2.184 -2.936 1.00 0.00 C ATOM 7 SD MET A 1 -12.421 1.274 -4.279 1.00 0.00 S ATOM 8 CE MET A 1 -10.912 2.272 -4.391 1.00 0.00 C ATOM 0 H1 MET A 1 -14.343 3.989 -1.446 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.203 4.257 0.225 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.990 4.808 -0.827 1.00 0.00 H new ATOM 0 HA MET A 1 -13.684 1.973 -0.259 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.551 3.220 -2.068 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.623 1.516 -1.664 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.093 1.624 -2.570 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.606 3.140 -3.303 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.463 2.143 -5.376 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.159 3.323 -4.239 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.206 1.951 -3.625 1.00 0.00 H new ATOM 20 N ARG A 2 -11.716 1.788 1.365 1.00 0.00 N ATOM 21 CA ARG A 2 -10.711 1.788 2.433 1.00 0.00 C ATOM 22 C ARG A 2 -9.713 0.661 2.186 1.00 0.00 C ATOM 23 O ARG A 2 -10.098 -0.480 1.928 1.00 0.00 O ATOM 24 CB ARG A 2 -11.368 1.598 3.802 1.00 0.00 C ATOM 25 CG ARG A 2 -10.298 1.697 4.892 1.00 0.00 C ATOM 26 CD ARG A 2 -10.959 1.681 6.272 1.00 0.00 C ATOM 27 NE ARG A 2 -11.503 0.359 6.560 1.00 0.00 N ATOM 28 CZ ARG A 2 -12.145 0.115 7.697 1.00 0.00 C ATOM 29 NH1 ARG A 2 -12.982 0.996 8.172 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.936 -1.000 8.342 1.00 0.00 N ATOM 0 H ARG A 2 -12.229 0.912 1.264 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.198 2.750 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.135 2.356 3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -11.864 0.628 3.849 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.599 0.865 4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.721 2.613 4.766 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.230 1.955 7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.755 2.425 6.310 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.389 -0.390 5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -13.142 1.870 7.670 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.476 0.811 9.045 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.278 -1.687 7.973 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.430 -1.185 9.215 1.00 0.00 H new ATOM 44 N ILE A 3 -8.431 0.996 2.252 1.00 0.00 N ATOM 45 CA ILE A 3 -7.364 0.021 2.018 1.00 0.00 C ATOM 46 C ILE A 3 -6.512 -0.129 3.271 1.00 0.00 C ATOM 47 O ILE A 3 -6.011 0.858 3.801 1.00 0.00 O ATOM 48 CB ILE A 3 -6.465 0.510 0.869 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.257 0.547 -0.463 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.272 -0.444 0.724 1.00 0.00 C ATOM 51 CD1 ILE A 3 -8.015 1.874 -0.615 1.00 0.00 C ATOM 0 H ILE A 3 -8.100 1.937 2.466 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.814 -0.938 1.762 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.116 1.517 1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.572 0.417 -1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.961 -0.284 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.630 -0.103 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.703 -0.459 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.634 -1.448 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.562 1.874 -1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.716 1.989 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.305 2.701 -0.607 1.00 0.00 H new ATOM 63 N GLU A 4 -6.355 -1.362 3.753 1.00 0.00 N ATOM 64 CA GLU A 4 -5.554 -1.606 4.959 1.00 0.00 C ATOM 65 C GLU A 4 -4.450 -2.631 4.696 1.00 0.00 C ATOM 66 O GLU A 4 -4.702 -3.712 4.166 1.00 0.00 O ATOM 67 CB GLU A 4 -6.460 -2.091 6.091 1.00 0.00 C ATOM 68 CG GLU A 4 -7.516 -1.024 6.389 1.00 0.00 C ATOM 69 CD GLU A 4 -8.428 -1.493 7.515 1.00 0.00 C ATOM 70 OE1 GLU A 4 -8.474 -2.690 7.754 1.00 0.00 O ATOM 71 OE2 GLU A 4 -9.069 -0.652 8.122 1.00 0.00 O ATOM 0 H GLU A 4 -6.764 -2.198 3.336 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.079 -0.668 5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.942 -3.027 5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.869 -2.293 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.031 -0.089 6.669 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.104 -0.823 5.494 1.00 0.00 H new ATOM 78 N VAL A 5 -3.222 -2.262 5.065 1.00 0.00 N ATOM 79 CA VAL A 5 -2.058 -3.140 4.858 1.00 0.00 C ATOM 80 C VAL A 5 -1.384 -3.488 6.184 1.00 0.00 C ATOM 81 O VAL A 5 -1.133 -2.620 7.015 1.00 0.00 O ATOM 82 CB VAL A 5 -1.043 -2.448 3.947 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.046 -3.446 3.539 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.751 -1.915 2.694 1.00 0.00 C ATOM 0 H VAL A 5 -3.004 -1.369 5.506 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.411 -4.061 4.395 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.587 -1.616 4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.768 -2.951 2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.553 -3.816 4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.408 -4.282 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.025 -1.423 2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.212 -2.744 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.520 -1.200 2.987 1.00 0.00 H new ATOM 94 N THR A 6 -1.087 -4.780 6.368 1.00 0.00 N ATOM 95 CA THR A 6 -0.429 -5.261 7.587 1.00 0.00 C ATOM 96 C THR A 6 0.892 -5.922 7.248 1.00 0.00 C ATOM 97 O THR A 6 0.981 -6.739 6.333 1.00 0.00 O ATOM 98 CB THR A 6 -1.328 -6.261 8.310 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.374 -7.473 7.569 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.738 -5.683 8.433 1.00 0.00 C ATOM 0 H THR A 6 -1.292 -5.511 5.687 1.00 0.00 H new ATOM 0 HA THR A 6 -0.243 -4.407 8.238 1.00 0.00 H new ATOM 0 HB THR A 6 -0.930 -6.457 9.305 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.930 -8.184 8.077 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.380 -6.397 8.949 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.702 -4.752 8.999 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.139 -5.487 7.439 1.00 0.00 H new ATOM 108 N ILE A 7 1.917 -5.566 8.012 1.00 0.00 N ATOM 109 CA ILE A 7 3.258 -6.114 7.839 1.00 0.00 C ATOM 110 C ILE A 7 3.654 -6.903 9.086 1.00 0.00 C ATOM 111 O ILE A 7 3.486 -6.428 10.208 1.00 0.00 O ATOM 112 CB ILE A 7 4.228 -4.953 7.615 1.00 0.00 C ATOM 113 CG1 ILE A 7 4.068 -4.437 6.175 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.683 -5.409 7.849 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.820 -3.115 6.002 1.00 0.00 C ATOM 0 H ILE A 7 1.843 -4.888 8.771 1.00 0.00 H new ATOM 0 HA ILE A 7 3.286 -6.787 6.982 1.00 0.00 H new ATOM 0 HB ILE A 7 4.001 -4.156 8.323 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.450 -5.176 5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.012 -4.296 5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.358 -4.569 7.685 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.792 -5.767 8.873 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.928 -6.213 7.155 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.700 -2.759 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.418 -2.374 6.693 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.879 -3.269 6.211 1.00 0.00 H new ATOM 127 N ALA A 8 4.176 -8.108 8.889 1.00 0.00 N ATOM 128 CA ALA A 8 4.582 -8.938 10.016 1.00 0.00 C ATOM 129 C ALA A 8 5.733 -8.290 10.768 1.00 0.00 C ATOM 130 O ALA A 8 6.715 -7.823 10.190 1.00 0.00 O ATOM 131 CB ALA A 8 5.014 -10.311 9.507 1.00 0.00 C ATOM 0 H ALA A 8 4.327 -8.528 7.972 1.00 0.00 H new ATOM 0 HA ALA A 8 3.736 -9.045 10.695 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.318 -10.932 10.349 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.181 -10.785 8.988 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.852 -10.197 8.819 1.00 0.00 H new ATOM 137 N LYS A 9 5.552 -8.259 12.083 1.00 0.00 N ATOM 138 CA LYS A 9 6.514 -7.657 12.990 1.00 0.00 C ATOM 139 C LYS A 9 7.871 -8.351 12.882 1.00 0.00 C ATOM 140 O LYS A 9 8.905 -7.746 13.166 1.00 0.00 O ATOM 141 CB LYS A 9 5.991 -7.698 14.431 1.00 0.00 C ATOM 142 CG LYS A 9 6.994 -7.050 15.405 1.00 0.00 C ATOM 143 CD LYS A 9 6.434 -7.120 16.827 1.00 0.00 C ATOM 144 CE LYS A 9 7.480 -6.594 17.812 1.00 0.00 C ATOM 145 NZ LYS A 9 6.990 -6.789 19.206 1.00 0.00 N ATOM 0 H LYS A 9 4.733 -8.651 12.548 1.00 0.00 H new ATOM 0 HA LYS A 9 6.648 -6.614 12.705 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.035 -7.177 14.489 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.809 -8.732 14.726 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.953 -7.565 15.354 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.174 -6.013 15.123 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.521 -6.529 16.899 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.169 -8.148 17.075 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.425 -7.118 17.670 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.671 -5.537 17.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.700 -6.432 19.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.098 -6.270 19.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.829 -7.802 19.379 1.00 0.00 H new ATOM 159 N THR A 10 7.871 -9.609 12.444 1.00 0.00 N ATOM 160 CA THR A 10 9.115 -10.351 12.275 1.00 0.00 C ATOM 161 C THR A 10 9.981 -9.660 11.227 1.00 0.00 C ATOM 162 O THR A 10 11.155 -9.995 11.068 1.00 0.00 O ATOM 163 CB THR A 10 8.808 -11.785 11.823 1.00 0.00 C ATOM 164 OG1 THR A 10 7.819 -11.756 10.803 1.00 0.00 O ATOM 165 CG2 THR A 10 8.300 -12.605 13.010 1.00 0.00 C ATOM 0 H THR A 10 7.029 -10.131 12.202 1.00 0.00 H new ATOM 0 HA THR A 10 9.648 -10.381 13.225 1.00 0.00 H new ATOM 0 HB THR A 10 9.717 -12.245 11.436 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.623 -12.671 10.512 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.084 -13.622 12.684 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.062 -12.628 13.789 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.392 -12.150 13.405 1.00 0.00 H new ATOM 173 N SER A 11 9.404 -8.694 10.508 1.00 0.00 N ATOM 174 CA SER A 11 10.140 -7.961 9.468 1.00 0.00 C ATOM 175 C SER A 11 10.120 -6.452 9.741 1.00 0.00 C ATOM 176 O SER A 11 9.328 -5.720 9.147 1.00 0.00 O ATOM 177 CB SER A 11 9.501 -8.232 8.104 1.00 0.00 C ATOM 178 OG SER A 11 10.364 -7.759 7.079 1.00 0.00 O ATOM 0 H SER A 11 8.434 -8.400 10.624 1.00 0.00 H new ATOM 0 HA SER A 11 11.175 -8.303 9.474 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.321 -9.300 7.980 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.533 -7.736 8.038 1.00 0.00 H new ATOM 0 HG SER A 11 9.958 -7.932 6.204 1.00 0.00 H new ATOM 184 N PRO A 12 10.972 -5.975 10.621 1.00 0.00 N ATOM 185 CA PRO A 12 11.057 -4.530 10.971 1.00 0.00 C ATOM 186 C PRO A 12 11.684 -3.656 9.873 1.00 0.00 C ATOM 187 O PRO A 12 12.738 -3.986 9.328 1.00 0.00 O ATOM 188 CB PRO A 12 11.850 -4.478 12.296 1.00 0.00 C ATOM 189 CG PRO A 12 12.174 -5.910 12.650 1.00 0.00 C ATOM 190 CD PRO A 12 11.959 -6.749 11.384 1.00 0.00 C ATOM 0 HA PRO A 12 10.059 -4.105 11.077 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.761 -3.890 12.182 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.262 -4.006 13.083 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.203 -5.997 12.999 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.532 -6.261 13.458 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.886 -6.877 10.826 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.589 -7.746 11.622 1.00 0.00 H new ATOM 198 N LEU A 13 11.036 -2.524 9.585 1.00 0.00 N ATOM 199 CA LEU A 13 11.529 -1.570 8.588 1.00 0.00 C ATOM 200 C LEU A 13 12.031 -0.318 9.319 1.00 0.00 C ATOM 201 O LEU A 13 11.514 0.012 10.386 1.00 0.00 O ATOM 202 CB LEU A 13 10.399 -1.203 7.623 1.00 0.00 C ATOM 203 CG LEU A 13 9.683 -2.484 7.157 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.598 -2.136 6.129 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.695 -3.449 6.517 1.00 0.00 C ATOM 0 H LEU A 13 10.163 -2.245 10.032 1.00 0.00 H new ATOM 0 HA LEU A 13 12.344 -2.011 8.014 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.690 -0.536 8.114 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.801 -0.665 6.764 1.00 0.00 H new ATOM 0 HG LEU A 13 9.223 -2.961 8.023 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.097 -3.049 5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.870 -1.464 6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.055 -1.648 5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.180 -4.352 6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.164 -2.968 5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.460 -3.712 7.248 1.00 0.00 H new ATOM 217 N PRO A 14 13.034 0.366 8.815 1.00 0.00 N ATOM 218 CA PRO A 14 13.585 1.563 9.510 1.00 0.00 C ATOM 219 C PRO A 14 12.488 2.521 9.995 1.00 0.00 C ATOM 220 O PRO A 14 11.412 2.625 9.406 1.00 0.00 O ATOM 221 CB PRO A 14 14.540 2.228 8.496 1.00 0.00 C ATOM 222 CG PRO A 14 14.473 1.398 7.232 1.00 0.00 C ATOM 223 CD PRO A 14 13.758 0.080 7.569 1.00 0.00 C ATOM 0 HA PRO A 14 14.111 1.279 10.422 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.241 3.258 8.300 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.558 2.260 8.885 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.935 1.935 6.451 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.475 1.202 6.851 1.00 0.00 H new ATOM 0 HD2 PRO A 14 13.076 -0.217 6.772 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.469 -0.736 7.701 1.00 0.00 H new ATOM 231 N ALA A 15 12.805 3.181 11.105 1.00 0.00 N ATOM 232 CA ALA A 15 11.905 4.126 11.768 1.00 0.00 C ATOM 233 C ALA A 15 11.453 5.269 10.849 1.00 0.00 C ATOM 234 O ALA A 15 11.577 6.438 11.213 1.00 0.00 O ATOM 235 CB ALA A 15 12.639 4.725 12.967 1.00 0.00 C ATOM 0 H ALA A 15 13.703 3.075 11.577 1.00 0.00 H new ATOM 0 HA ALA A 15 11.011 3.578 12.066 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.986 5.433 13.477 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.920 3.929 13.657 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.536 5.241 12.624 1.00 0.00 H new ATOM 241 N GLY A 16 10.933 4.943 9.669 1.00 0.00 N ATOM 242 CA GLY A 16 10.480 5.978 8.740 1.00 0.00 C ATOM 243 C GLY A 16 9.856 5.372 7.487 1.00 0.00 C ATOM 244 O GLY A 16 9.190 6.058 6.714 1.00 0.00 O ATOM 0 H GLY A 16 10.815 3.986 9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.752 6.620 9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.323 6.610 8.459 1.00 0.00 H new ATOM 248 N ALA A 17 10.138 4.093 7.267 1.00 0.00 N ATOM 249 CA ALA A 17 9.669 3.404 6.072 1.00 0.00 C ATOM 250 C ALA A 17 8.156 3.165 6.012 1.00 0.00 C ATOM 251 O ALA A 17 7.554 3.319 4.949 1.00 0.00 O ATOM 252 CB ALA A 17 10.448 2.096 5.871 1.00 0.00 C ATOM 0 H ALA A 17 10.689 3.513 7.900 1.00 0.00 H new ATOM 0 HA ALA A 17 9.870 4.085 5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.087 1.592 4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.509 2.318 5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.301 1.449 6.736 1.00 0.00 H new ATOM 258 N ILE A 18 7.536 2.795 7.120 1.00 0.00 N ATOM 259 CA ILE A 18 6.095 2.558 7.105 1.00 0.00 C ATOM 260 C ILE A 18 5.363 3.828 6.690 1.00 0.00 C ATOM 261 O ILE A 18 4.511 3.806 5.801 1.00 0.00 O ATOM 262 CB ILE A 18 5.632 2.105 8.491 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.258 0.729 8.820 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.099 2.028 8.526 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.400 -0.420 8.273 1.00 0.00 C ATOM 0 H ILE A 18 7.990 2.654 8.022 1.00 0.00 H new ATOM 0 HA ILE A 18 5.867 1.774 6.383 1.00 0.00 H new ATOM 0 HB ILE A 18 5.958 2.825 9.241 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.260 0.672 8.394 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.364 0.624 9.900 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.773 1.705 9.515 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.680 3.011 8.309 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.753 1.313 7.779 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.867 -1.373 8.521 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.406 -0.376 8.719 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.316 -0.328 7.190 1.00 0.00 H new ATOM 277 N ASP A 19 5.718 4.939 7.328 1.00 0.00 N ATOM 278 CA ASP A 19 5.097 6.211 6.992 1.00 0.00 C ATOM 279 C ASP A 19 5.370 6.520 5.526 1.00 0.00 C ATOM 280 O ASP A 19 4.495 7.029 4.827 1.00 0.00 O ATOM 281 CB ASP A 19 5.583 7.342 7.902 1.00 0.00 C ATOM 282 CG ASP A 19 5.033 7.154 9.312 1.00 0.00 C ATOM 283 OD1 ASP A 19 4.128 6.352 9.472 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.521 7.821 10.212 1.00 0.00 O ATOM 0 H ASP A 19 6.420 4.983 8.067 1.00 0.00 H new ATOM 0 HA ASP A 19 4.022 6.133 7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.673 7.356 7.927 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.261 8.304 7.503 1.00 0.00 H new ATOM 289 N ALA A 20 6.572 6.211 5.054 1.00 0.00 N ATOM 290 CA ALA A 20 6.891 6.473 3.659 1.00 0.00 C ATOM 291 C ALA A 20 6.039 5.596 2.726 1.00 0.00 C ATOM 292 O ALA A 20 5.551 6.063 1.697 1.00 0.00 O ATOM 293 CB ALA A 20 8.394 6.255 3.405 1.00 0.00 C ATOM 0 H ALA A 20 7.323 5.790 5.601 1.00 0.00 H new ATOM 0 HA ALA A 20 6.654 7.514 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.619 6.455 2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.971 6.932 4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.657 5.224 3.643 1.00 0.00 H new ATOM 299 N LEU A 21 5.863 4.328 3.103 1.00 0.00 N ATOM 300 CA LEU A 21 5.073 3.384 2.323 1.00 0.00 C ATOM 301 C LEU A 21 3.620 3.840 2.189 1.00 0.00 C ATOM 302 O LEU A 21 3.056 3.849 1.094 1.00 0.00 O ATOM 303 CB LEU A 21 5.169 2.010 3.008 1.00 0.00 C ATOM 304 CG LEU A 21 4.180 1.010 2.407 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.462 0.805 0.917 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.311 -0.332 3.137 1.00 0.00 C ATOM 0 H LEU A 21 6.263 3.932 3.953 1.00 0.00 H new ATOM 0 HA LEU A 21 5.466 3.324 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.183 1.624 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.973 2.120 4.075 1.00 0.00 H new ATOM 0 HG LEU A 21 3.169 1.402 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.749 0.090 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.364 1.756 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.474 0.422 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.608 -1.048 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.327 -0.710 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.092 -0.193 4.196 1.00 0.00 H new ATOM 318 N ALA A 22 3.019 4.207 3.323 1.00 0.00 N ATOM 319 CA ALA A 22 1.628 4.651 3.340 1.00 0.00 C ATOM 320 C ALA A 22 1.458 5.885 2.454 1.00 0.00 C ATOM 321 O ALA A 22 0.472 5.990 1.725 1.00 0.00 O ATOM 322 CB ALA A 22 1.186 4.962 4.771 1.00 0.00 C ATOM 0 H ALA A 22 3.473 4.205 4.236 1.00 0.00 H new ATOM 0 HA ALA A 22 1.001 3.849 2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.147 5.292 4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.280 4.066 5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.815 5.751 5.183 1.00 0.00 H new ATOM 328 N GLY A 23 2.407 6.794 2.487 1.00 0.00 N ATOM 329 CA GLY A 23 2.337 7.987 1.648 1.00 0.00 C ATOM 330 C GLY A 23 2.455 7.631 0.169 1.00 0.00 C ATOM 331 O GLY A 23 1.697 8.155 -0.645 1.00 0.00 O ATOM 0 H GLY A 23 3.235 6.738 3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.394 8.505 1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.136 8.676 1.924 1.00 0.00 H new ATOM 335 N GLU A 24 3.370 6.740 -0.195 1.00 0.00 N ATOM 336 CA GLU A 24 3.482 6.368 -1.602 1.00 0.00 C ATOM 337 C GLU A 24 2.219 5.661 -2.083 1.00 0.00 C ATOM 338 O GLU A 24 1.771 5.882 -3.209 1.00 0.00 O ATOM 339 CB GLU A 24 4.719 5.484 -1.858 1.00 0.00 C ATOM 340 CG GLU A 24 5.961 6.352 -2.026 1.00 0.00 C ATOM 341 CD GLU A 24 5.871 7.164 -3.315 1.00 0.00 C ATOM 342 OE1 GLU A 24 5.034 6.837 -4.141 1.00 0.00 O ATOM 343 OE2 GLU A 24 6.649 8.091 -3.463 1.00 0.00 O ATOM 0 H GLU A 24 4.023 6.276 0.436 1.00 0.00 H new ATOM 0 HA GLU A 24 3.603 7.290 -2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.859 4.793 -1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.565 4.880 -2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.062 7.022 -1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.852 5.724 -2.046 1.00 0.00 H new ATOM 350 N LEU A 25 1.659 4.799 -1.246 1.00 0.00 N ATOM 351 CA LEU A 25 0.465 4.070 -1.643 1.00 0.00 C ATOM 352 C LEU A 25 -0.737 4.986 -1.855 1.00 0.00 C ATOM 353 O LEU A 25 -1.478 4.826 -2.823 1.00 0.00 O ATOM 354 CB LEU A 25 0.114 2.987 -0.615 1.00 0.00 C ATOM 355 CG LEU A 25 1.127 1.831 -0.680 1.00 0.00 C ATOM 356 CD1 LEU A 25 0.897 0.898 0.516 1.00 0.00 C ATOM 357 CD2 LEU A 25 0.963 1.032 -1.995 1.00 0.00 C ATOM 0 H LEU A 25 2.003 4.591 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 25 0.697 3.600 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.108 3.417 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.890 2.609 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 25 2.136 2.243 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.611 0.075 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.034 1.455 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.117 0.500 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.689 0.219 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.045 0.620 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.129 1.693 -2.846 1.00 0.00 H new ATOM 369 N SER A 26 -0.936 5.939 -0.957 1.00 0.00 N ATOM 370 CA SER A 26 -2.070 6.850 -1.079 1.00 0.00 C ATOM 371 C SER A 26 -2.004 7.654 -2.372 1.00 0.00 C ATOM 372 O SER A 26 -3.007 7.786 -3.072 1.00 0.00 O ATOM 373 CB SER A 26 -2.094 7.808 0.113 1.00 0.00 C ATOM 374 OG SER A 26 -2.387 7.078 1.297 1.00 0.00 O ATOM 0 H SER A 26 -0.339 6.103 -0.147 1.00 0.00 H new ATOM 0 HA SER A 26 -2.980 6.251 -1.095 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.131 8.310 0.210 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.843 8.584 -0.044 1.00 0.00 H new ATOM 0 HG SER A 26 -1.575 6.632 1.616 1.00 0.00 H new ATOM 380 N ARG A 27 -0.830 8.187 -2.700 1.00 0.00 N ATOM 381 CA ARG A 27 -0.699 8.962 -3.927 1.00 0.00 C ATOM 382 C ARG A 27 -1.051 8.079 -5.120 1.00 0.00 C ATOM 383 O ARG A 27 -1.725 8.518 -6.052 1.00 0.00 O ATOM 384 CB ARG A 27 0.726 9.498 -4.077 1.00 0.00 C ATOM 385 CG ARG A 27 0.977 10.585 -3.032 1.00 0.00 C ATOM 386 CD ARG A 27 2.385 11.153 -3.214 1.00 0.00 C ATOM 387 NE ARG A 27 2.634 12.202 -2.233 1.00 0.00 N ATOM 388 CZ ARG A 27 2.810 11.912 -0.949 1.00 0.00 C ATOM 389 NH1 ARG A 27 4.003 11.638 -0.500 1.00 0.00 N ATOM 390 NH2 ARG A 27 1.787 11.901 -0.138 1.00 0.00 N ATOM 0 H ARG A 27 0.024 8.100 -2.148 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.381 9.811 -3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.445 8.688 -3.954 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.870 9.902 -5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.237 11.379 -3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.867 10.172 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.123 10.358 -3.103 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.496 11.553 -4.222 1.00 0.00 H new ATOM 0 HE ARG A 27 2.674 13.175 -2.538 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.801 11.646 -1.135 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.138 11.415 0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.854 12.115 -0.491 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.921 11.678 0.848 1.00 0.00 H new ATOM 404 N ARG A 28 -0.605 6.829 -5.078 1.00 0.00 N ATOM 405 CA ARG A 28 -0.891 5.884 -6.153 1.00 0.00 C ATOM 406 C ARG A 28 -2.393 5.627 -6.272 1.00 0.00 C ATOM 407 O ARG A 28 -2.934 5.517 -7.371 1.00 0.00 O ATOM 408 CB ARG A 28 -0.168 4.562 -5.872 1.00 0.00 C ATOM 409 CG ARG A 28 1.358 4.733 -6.019 1.00 0.00 C ATOM 410 CD ARG A 28 1.789 4.577 -7.485 1.00 0.00 C ATOM 411 NE ARG A 28 3.211 4.874 -7.622 1.00 0.00 N ATOM 412 CZ ARG A 28 4.136 3.976 -7.291 1.00 0.00 C ATOM 413 NH1 ARG A 28 4.124 2.792 -7.839 1.00 0.00 N ATOM 414 NH2 ARG A 28 5.057 4.282 -6.418 1.00 0.00 N ATOM 0 H ARG A 28 -0.046 6.447 -4.315 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.540 6.311 -7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.405 4.219 -4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.521 3.795 -6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.655 5.715 -5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.872 3.994 -5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.587 3.562 -7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.207 5.247 -8.117 1.00 0.00 H new ATOM 0 HE ARG A 28 3.501 5.785 -7.977 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.405 2.553 -8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.834 2.105 -7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.067 5.208 -5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.767 3.595 -6.163 1.00 0.00 H new ATOM 428 N ILE A 29 -3.053 5.522 -5.119 1.00 0.00 N ATOM 429 CA ILE A 29 -4.491 5.263 -5.079 1.00 0.00 C ATOM 430 C ILE A 29 -5.291 6.416 -5.677 1.00 0.00 C ATOM 431 O ILE A 29 -6.192 6.209 -6.490 1.00 0.00 O ATOM 432 CB ILE A 29 -4.938 5.033 -3.624 1.00 0.00 C ATOM 433 CG1 ILE A 29 -4.318 3.720 -3.082 1.00 0.00 C ATOM 434 CG2 ILE A 29 -6.473 4.971 -3.545 1.00 0.00 C ATOM 435 CD1 ILE A 29 -5.161 2.491 -3.472 1.00 0.00 C ATOM 0 H ILE A 29 -2.615 5.612 -4.202 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.683 4.372 -5.677 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.591 5.865 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.306 3.607 -3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.237 3.776 -1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.778 4.808 -2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.894 5.910 -3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.836 4.151 -4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.695 1.589 -3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.165 2.593 -3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.220 2.420 -4.558 1.00 0.00 H new ATOM 447 N GLN A 30 -4.951 7.622 -5.261 1.00 0.00 N ATOM 448 CA GLN A 30 -5.637 8.809 -5.747 1.00 0.00 C ATOM 449 C GLN A 30 -5.483 8.951 -7.256 1.00 0.00 C ATOM 450 O GLN A 30 -6.442 9.320 -7.934 1.00 0.00 O ATOM 451 CB GLN A 30 -5.107 10.051 -5.021 1.00 0.00 C ATOM 452 CG GLN A 30 -5.678 11.322 -5.655 1.00 0.00 C ATOM 453 CD GLN A 30 -5.370 12.518 -4.760 1.00 0.00 C ATOM 454 OE1 GLN A 30 -4.736 12.330 -3.634 1.00 0.00 O flip ATOM 455 NE2 GLN A 30 -5.711 13.653 -5.096 1.00 0.00 N flip ATOM 0 H GLN A 30 -4.206 7.807 -4.589 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.701 8.708 -5.535 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.380 10.008 -3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.018 10.071 -5.068 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.246 11.474 -6.644 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.755 11.222 -5.789 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.206 13.797 -5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.498 14.449 -4.494 1.00 0.00 H new ATOM 464 N TYR A 31 -4.302 8.663 -7.806 1.00 0.00 N ATOM 465 CA TYR A 31 -4.121 8.781 -9.245 1.00 0.00 C ATOM 466 C TYR A 31 -4.972 7.741 -9.973 1.00 0.00 C ATOM 467 O TYR A 31 -5.555 8.030 -11.019 1.00 0.00 O ATOM 468 CB TYR A 31 -2.651 8.610 -9.627 1.00 0.00 C ATOM 469 CG TYR A 31 -2.515 8.695 -11.128 1.00 0.00 C ATOM 470 CD1 TYR A 31 -2.656 7.542 -11.909 1.00 0.00 C ATOM 471 CD2 TYR A 31 -2.254 9.927 -11.738 1.00 0.00 C ATOM 472 CE1 TYR A 31 -2.536 7.620 -13.301 1.00 0.00 C ATOM 473 CE2 TYR A 31 -2.133 10.005 -13.132 1.00 0.00 C ATOM 474 CZ TYR A 31 -2.275 8.852 -13.913 1.00 0.00 C ATOM 475 OH TYR A 31 -2.160 8.930 -15.285 1.00 0.00 O ATOM 0 H TYR A 31 -3.479 8.354 -7.289 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.441 9.779 -9.545 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.047 9.382 -9.151 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.279 7.649 -9.270 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.858 6.592 -11.437 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.146 10.817 -11.135 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.645 6.730 -13.903 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.930 10.955 -13.604 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.980 9.857 -15.546 1.00 0.00 H new ATOM 485 N ALA A 32 -5.033 6.533 -9.429 1.00 0.00 N ATOM 486 CA ALA A 32 -5.808 5.461 -10.051 1.00 0.00 C ATOM 487 C ALA A 32 -7.309 5.704 -9.936 1.00 0.00 C ATOM 488 O ALA A 32 -8.077 5.367 -10.837 1.00 0.00 O ATOM 489 CB ALA A 32 -5.468 4.130 -9.380 1.00 0.00 C ATOM 0 H ALA A 32 -4.560 6.269 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.547 5.436 -11.109 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.046 3.331 -9.844 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.404 3.924 -9.498 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.711 4.185 -8.319 1.00 0.00 H new ATOM 495 N PHE A 33 -7.717 6.268 -8.801 1.00 0.00 N ATOM 496 CA PHE A 33 -9.131 6.537 -8.531 1.00 0.00 C ATOM 497 C PHE A 33 -9.371 8.030 -8.308 1.00 0.00 C ATOM 498 O PHE A 33 -9.347 8.505 -7.173 1.00 0.00 O ATOM 499 CB PHE A 33 -9.541 5.763 -7.285 1.00 0.00 C ATOM 500 CG PHE A 33 -9.396 4.288 -7.566 1.00 0.00 C ATOM 501 CD1 PHE A 33 -10.431 3.593 -8.200 1.00 0.00 C ATOM 502 CD2 PHE A 33 -8.221 3.619 -7.204 1.00 0.00 C ATOM 503 CE1 PHE A 33 -10.292 2.229 -8.476 1.00 0.00 C ATOM 504 CE2 PHE A 33 -8.082 2.253 -7.478 1.00 0.00 C ATOM 505 CZ PHE A 33 -9.118 1.558 -8.114 1.00 0.00 C ATOM 0 H PHE A 33 -7.087 6.549 -8.050 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.725 6.223 -9.389 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.917 6.050 -6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.571 5.997 -7.016 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.338 4.110 -8.477 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.422 4.156 -6.714 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.090 1.693 -8.968 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.176 1.736 -7.199 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.011 0.504 -8.325 1.00 0.00 H new ATOM 515 N PRO A 34 -9.591 8.777 -9.361 1.00 0.00 N ATOM 516 CA PRO A 34 -9.827 10.242 -9.261 1.00 0.00 C ATOM 517 C PRO A 34 -11.191 10.602 -8.663 1.00 0.00 C ATOM 518 O PRO A 34 -11.387 11.706 -8.153 1.00 0.00 O ATOM 519 CB PRO A 34 -9.728 10.756 -10.728 1.00 0.00 C ATOM 520 CG PRO A 34 -9.432 9.561 -11.600 1.00 0.00 C ATOM 521 CD PRO A 34 -9.635 8.302 -10.752 1.00 0.00 C ATOM 0 HA PRO A 34 -9.101 10.699 -8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.660 11.233 -11.032 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.941 11.505 -10.821 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.092 9.548 -12.467 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.410 9.607 -11.977 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.588 7.823 -10.977 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.855 7.565 -10.944 1.00 0.00 H new ATOM 529 N ASP A 35 -12.146 9.678 -8.790 1.00 0.00 N ATOM 530 CA ASP A 35 -13.519 9.917 -8.323 1.00 0.00 C ATOM 531 C ASP A 35 -13.856 9.273 -6.969 1.00 0.00 C ATOM 532 O ASP A 35 -14.974 9.465 -6.491 1.00 0.00 O ATOM 533 CB ASP A 35 -14.492 9.375 -9.367 1.00 0.00 C ATOM 534 CG ASP A 35 -14.295 7.873 -9.530 1.00 0.00 C ATOM 535 OD1 ASP A 35 -13.578 7.300 -8.726 1.00 0.00 O ATOM 536 OD2 ASP A 35 -14.862 7.318 -10.456 1.00 0.00 O ATOM 0 H ASP A 35 -11.998 8.760 -9.210 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.608 10.994 -8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.518 9.585 -9.064 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.332 9.877 -10.321 1.00 0.00 H new ATOM 541 N ASN A 36 -12.954 8.489 -6.355 1.00 0.00 N ATOM 542 CA ASN A 36 -13.294 7.828 -5.068 1.00 0.00 C ATOM 543 C ASN A 36 -12.281 8.107 -3.968 1.00 0.00 C ATOM 544 O ASN A 36 -11.083 7.914 -4.179 1.00 0.00 O ATOM 545 CB ASN A 36 -13.335 6.314 -5.288 1.00 0.00 C ATOM 546 CG ASN A 36 -14.396 5.965 -6.323 1.00 0.00 C ATOM 547 OD1 ASN A 36 -14.107 5.284 -7.308 1.00 0.00 O ATOM 548 ND2 ASN A 36 -15.619 6.384 -6.152 1.00 0.00 N ATOM 0 H ASN A 36 -12.016 8.297 -6.706 1.00 0.00 H new ATOM 0 HA ASN A 36 -14.257 8.229 -4.750 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.360 5.961 -5.622 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.553 5.808 -4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -16.339 6.148 -6.835 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.855 6.948 -5.335 1.00 0.00 H new ATOM 555 N GLU A 37 -12.728 8.523 -2.793 1.00 0.00 N ATOM 556 CA GLU A 37 -11.823 8.773 -1.680 1.00 0.00 C ATOM 557 C GLU A 37 -11.134 7.486 -1.216 1.00 0.00 C ATOM 558 O GLU A 37 -11.798 6.522 -0.836 1.00 0.00 O ATOM 559 CB GLU A 37 -12.705 9.273 -0.517 1.00 0.00 C ATOM 560 CG GLU A 37 -11.886 9.548 0.758 1.00 0.00 C ATOM 561 CD GLU A 37 -12.823 10.038 1.858 1.00 0.00 C ATOM 562 OE1 GLU A 37 -13.936 9.544 1.923 1.00 0.00 O ATOM 563 OE2 GLU A 37 -12.412 10.899 2.619 1.00 0.00 O ATOM 0 H GLU A 37 -13.712 8.695 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.054 9.484 -1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.220 10.185 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.473 8.530 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.373 8.641 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.118 10.295 0.558 1.00 0.00 H new ATOM 570 N GLY A 38 -9.803 7.491 -1.218 1.00 0.00 N ATOM 571 CA GLY A 38 -9.054 6.312 -0.751 1.00 0.00 C ATOM 572 C GLY A 38 -8.298 6.565 0.547 1.00 0.00 C ATOM 573 O GLY A 38 -7.521 7.519 0.610 1.00 0.00 O ATOM 0 H GLY A 38 -9.227 8.274 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.746 5.482 -0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.348 6.007 -1.523 1.00 0.00 H new ATOM 577 N HIS A 39 -8.476 5.724 1.576 1.00 0.00 N ATOM 578 CA HIS A 39 -7.738 5.910 2.836 1.00 0.00 C ATOM 579 C HIS A 39 -6.839 4.697 3.040 1.00 0.00 C ATOM 580 O HIS A 39 -7.323 3.566 3.031 1.00 0.00 O ATOM 581 CB HIS A 39 -8.715 6.022 4.008 1.00 0.00 C ATOM 582 CG HIS A 39 -9.539 7.267 3.856 1.00 0.00 C ATOM 583 ND1 HIS A 39 -9.005 8.531 4.043 1.00 0.00 N ATOM 584 CD2 HIS A 39 -10.858 7.461 3.534 1.00 0.00 C ATOM 585 CE1 HIS A 39 -9.990 9.422 3.835 1.00 0.00 C ATOM 586 NE2 HIS A 39 -11.141 8.823 3.521 1.00 0.00 N ATOM 0 H HIS A 39 -9.110 4.925 1.564 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.146 6.824 2.789 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.363 5.146 4.040 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.168 6.048 4.950 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -8.040 8.747 4.293 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.569 6.676 3.323 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.865 10.492 3.912 1.00 0.00 H new ATOM 594 N VAL A 40 -5.533 4.915 3.190 1.00 0.00 N ATOM 595 CA VAL A 40 -4.593 3.811 3.349 1.00 0.00 C ATOM 596 C VAL A 40 -3.984 3.809 4.744 1.00 0.00 C ATOM 597 O VAL A 40 -3.475 4.831 5.209 1.00 0.00 O ATOM 598 CB VAL A 40 -3.488 3.947 2.304 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.519 2.776 2.450 1.00 0.00 C ATOM 600 CG2 VAL A 40 -4.105 3.938 0.894 1.00 0.00 C ATOM 0 H VAL A 40 -5.106 5.841 3.204 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.127 2.871 3.212 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.954 4.886 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.726 2.865 1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.083 2.787 3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.055 1.839 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.314 4.035 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.638 3.001 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.800 4.772 0.796 1.00 0.00 H new ATOM 610 N SER A 41 -4.016 2.650 5.398 1.00 0.00 N ATOM 611 CA SER A 41 -3.437 2.510 6.741 1.00 0.00 C ATOM 612 C SER A 41 -2.426 1.374 6.759 1.00 0.00 C ATOM 613 O SER A 41 -2.645 0.323 6.157 1.00 0.00 O ATOM 614 CB SER A 41 -4.532 2.268 7.780 1.00 0.00 C ATOM 615 OG SER A 41 -3.934 1.968 9.033 1.00 0.00 O ATOM 0 H SER A 41 -4.433 1.796 5.027 1.00 0.00 H new ATOM 0 HA SER A 41 -2.926 3.438 6.996 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.166 3.150 7.869 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.173 1.445 7.464 1.00 0.00 H new ATOM 0 HG SER A 41 -4.634 1.814 9.701 1.00 0.00 H new ATOM 621 N VAL A 42 -1.318 1.592 7.471 1.00 0.00 N ATOM 622 CA VAL A 42 -0.273 0.571 7.584 1.00 0.00 C ATOM 623 C VAL A 42 0.077 0.361 9.051 1.00 0.00 C ATOM 624 O VAL A 42 0.347 1.316 9.780 1.00 0.00 O ATOM 625 CB VAL A 42 0.974 0.982 6.800 1.00 0.00 C ATOM 626 CG1 VAL A 42 1.964 -0.184 6.755 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.579 1.388 5.377 1.00 0.00 C ATOM 0 H VAL A 42 -1.122 2.458 7.974 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.647 -0.362 7.163 1.00 0.00 H new ATOM 0 HB VAL A 42 1.447 1.831 7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.851 0.113 6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.250 -0.458 7.771 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.497 -1.039 6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.470 1.680 4.821 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.100 0.546 4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.115 2.228 5.418 1.00 0.00 H new ATOM 637 N ARG A 43 0.057 -0.902 9.483 1.00 0.00 N ATOM 638 CA ARG A 43 0.361 -1.230 10.876 1.00 0.00 C ATOM 639 C ARG A 43 0.974 -2.621 10.989 1.00 0.00 C ATOM 640 O ARG A 43 0.820 -3.446 10.091 1.00 0.00 O ATOM 641 CB ARG A 43 -0.917 -1.161 11.712 1.00 0.00 C ATOM 642 CG ARG A 43 -1.965 -2.110 11.123 1.00 0.00 C ATOM 643 CD ARG A 43 -3.285 -1.933 11.873 1.00 0.00 C ATOM 644 NE ARG A 43 -3.766 -0.565 11.721 1.00 0.00 N ATOM 645 CZ ARG A 43 -5.037 -0.252 11.949 1.00 0.00 C ATOM 646 NH1 ARG A 43 -5.973 -0.697 11.155 1.00 0.00 N ATOM 647 NH2 ARG A 43 -5.350 0.501 12.967 1.00 0.00 N ATOM 0 H ARG A 43 -0.164 -1.706 8.895 1.00 0.00 H new ATOM 0 HA ARG A 43 1.084 -0.505 11.249 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.703 -1.434 12.745 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.301 -0.141 11.725 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.105 -1.902 10.062 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.624 -3.142 11.203 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.027 -2.633 11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.146 -2.163 12.929 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.114 0.166 11.434 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.729 -1.286 10.359 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.948 -0.456 11.331 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.619 0.849 13.588 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.326 0.742 13.143 1.00 0.00 H new ATOM 661 N TYR A 44 1.649 -2.889 12.102 1.00 0.00 N ATOM 662 CA TYR A 44 2.247 -4.205 12.307 1.00 0.00 C ATOM 663 C TYR A 44 1.207 -5.159 12.877 1.00 0.00 C ATOM 664 O TYR A 44 0.393 -4.779 13.718 1.00 0.00 O ATOM 665 CB TYR A 44 3.435 -4.162 13.261 1.00 0.00 C ATOM 666 CG TYR A 44 4.528 -3.298 12.701 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.502 -3.868 11.880 1.00 0.00 C ATOM 668 CD2 TYR A 44 4.568 -1.934 12.998 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.525 -3.075 11.353 1.00 0.00 C ATOM 670 CE2 TYR A 44 5.592 -1.137 12.479 1.00 0.00 C ATOM 671 CZ TYR A 44 6.574 -1.707 11.655 1.00 0.00 C ATOM 672 OH TYR A 44 7.587 -0.924 11.144 1.00 0.00 O ATOM 0 H TYR A 44 1.795 -2.227 12.864 1.00 0.00 H new ATOM 0 HA TYR A 44 2.601 -4.547 11.335 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.118 -3.775 14.229 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.811 -5.171 13.429 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.465 -4.923 11.652 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.808 -1.496 13.628 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.276 -3.515 10.714 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.627 -0.083 12.712 1.00 0.00 H new ATOM 0 HH TYR A 44 7.877 -1.287 10.281 1.00 0.00 H new ATOM 682 N ALA A 45 1.248 -6.405 12.413 1.00 0.00 N ATOM 683 CA ALA A 45 0.323 -7.436 12.870 1.00 0.00 C ATOM 684 C ALA A 45 1.067 -8.764 12.945 1.00 0.00 C ATOM 685 O ALA A 45 2.175 -8.883 12.422 1.00 0.00 O ATOM 686 CB ALA A 45 -0.862 -7.549 11.909 1.00 0.00 C ATOM 0 H ALA A 45 1.918 -6.726 11.715 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.061 -7.173 13.856 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.544 -8.322 12.262 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.387 -6.595 11.865 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.500 -7.811 10.915 1.00 0.00 H new ATOM 692 N ALA A 46 0.482 -9.756 13.601 1.00 0.00 N ATOM 693 CA ALA A 46 1.153 -11.044 13.721 1.00 0.00 C ATOM 694 C ALA A 46 1.467 -11.616 12.337 1.00 0.00 C ATOM 695 O ALA A 46 2.389 -12.419 12.199 1.00 0.00 O ATOM 696 CB ALA A 46 0.311 -12.028 14.536 1.00 0.00 C ATOM 0 H ALA A 46 -0.433 -9.699 14.048 1.00 0.00 H new ATOM 0 HA ALA A 46 2.093 -10.889 14.251 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.835 -12.981 14.610 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.147 -11.625 15.536 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.650 -12.180 14.044 1.00 0.00 H new ATOM 702 N ALA A 47 0.691 -11.235 11.311 1.00 0.00 N ATOM 703 CA ALA A 47 0.919 -11.775 9.961 1.00 0.00 C ATOM 704 C ALA A 47 0.753 -10.718 8.864 1.00 0.00 C ATOM 705 O ALA A 47 -0.046 -9.791 8.996 1.00 0.00 O ATOM 706 CB ALA A 47 -0.046 -12.931 9.700 1.00 0.00 C ATOM 0 H ALA A 47 -0.081 -10.572 11.385 1.00 0.00 H new ATOM 0 HA ALA A 47 1.952 -12.122 9.926 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.125 -13.329 8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.120 -13.717 10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.072 -12.573 9.777 1.00 0.00 H new ATOM 712 N ASN A 48 1.478 -10.904 7.756 1.00 0.00 N ATOM 713 CA ASN A 48 1.366 -10.001 6.609 1.00 0.00 C ATOM 714 C ASN A 48 -0.001 -10.224 5.968 1.00 0.00 C ATOM 715 O ASN A 48 -0.372 -11.362 5.683 1.00 0.00 O ATOM 716 CB ASN A 48 2.467 -10.310 5.590 1.00 0.00 C ATOM 717 CG ASN A 48 2.528 -9.209 4.535 1.00 0.00 C ATOM 718 OD1 ASN A 48 1.932 -8.147 4.711 1.00 0.00 O ATOM 719 ND2 ASN A 48 3.218 -9.397 3.445 1.00 0.00 N ATOM 0 H ASN A 48 2.144 -11.666 7.631 1.00 0.00 H new ATOM 0 HA ASN A 48 1.474 -8.966 6.933 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.429 -10.393 6.096 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.273 -11.271 5.113 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.264 -8.664 2.738 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.712 -10.278 3.300 1.00 0.00 H new ATOM 726 N ASN A 49 -0.755 -9.148 5.742 1.00 0.00 N ATOM 727 CA ASN A 49 -2.080 -9.268 5.136 1.00 0.00 C ATOM 728 C ASN A 49 -2.457 -7.987 4.389 1.00 0.00 C ATOM 729 O ASN A 49 -2.058 -6.890 4.778 1.00 0.00 O ATOM 730 CB ASN A 49 -3.113 -9.549 6.232 1.00 0.00 C ATOM 731 CG ASN A 49 -4.403 -10.086 5.619 1.00 0.00 C ATOM 732 OD1 ASN A 49 -4.414 -10.512 4.465 1.00 0.00 O ATOM 733 ND2 ASN A 49 -5.496 -10.099 6.334 1.00 0.00 N ATOM 0 H ASN A 49 -0.475 -8.193 5.967 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.064 -10.089 4.420 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.712 -10.272 6.943 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.320 -8.635 6.789 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.362 -10.463 5.936 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.484 -9.745 7.291 1.00 0.00 H new ATOM 740 N LEU A 50 -3.257 -8.138 3.329 1.00 0.00 N ATOM 741 CA LEU A 50 -3.735 -7.005 2.530 1.00 0.00 C ATOM 742 C LEU A 50 -5.258 -7.109 2.477 1.00 0.00 C ATOM 743 O LEU A 50 -5.790 -8.121 2.020 1.00 0.00 O ATOM 744 CB LEU A 50 -3.140 -7.084 1.114 1.00 0.00 C ATOM 745 CG LEU A 50 -3.655 -5.926 0.233 1.00 0.00 C ATOM 746 CD1 LEU A 50 -3.215 -4.576 0.804 1.00 0.00 C ATOM 747 CD2 LEU A 50 -3.105 -6.079 -1.196 1.00 0.00 C ATOM 0 H LEU A 50 -3.590 -9.045 3.002 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.432 -6.054 2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.052 -7.047 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.403 -8.038 0.658 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.744 -5.962 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.588 -3.773 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.616 -4.458 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.126 -4.534 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.470 -5.260 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.016 -6.057 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.439 -7.028 -1.615 1.00 0.00 H new ATOM 759 N SER A 51 -5.967 -6.073 2.930 1.00 0.00 N ATOM 760 CA SER A 51 -7.436 -6.086 2.909 1.00 0.00 C ATOM 761 C SER A 51 -7.966 -4.878 2.134 1.00 0.00 C ATOM 762 O SER A 51 -7.573 -3.745 2.411 1.00 0.00 O ATOM 763 CB SER A 51 -7.963 -6.023 4.344 1.00 0.00 C ATOM 764 OG SER A 51 -9.385 -6.036 4.322 1.00 0.00 O ATOM 0 H SER A 51 -5.556 -5.222 3.313 1.00 0.00 H new ATOM 0 HA SER A 51 -7.773 -7.002 2.423 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.589 -6.870 4.919 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.603 -5.120 4.837 1.00 0.00 H new ATOM 0 HG SER A 51 -9.727 -5.998 5.240 1.00 0.00 H new ATOM 770 N VAL A 52 -8.884 -5.115 1.193 1.00 0.00 N ATOM 771 CA VAL A 52 -9.492 -4.026 0.419 1.00 0.00 C ATOM 772 C VAL A 52 -11.008 -4.073 0.604 1.00 0.00 C ATOM 773 O VAL A 52 -11.633 -5.106 0.360 1.00 0.00 O ATOM 774 CB VAL A 52 -9.144 -4.151 -1.068 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.787 -2.995 -1.844 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.625 -4.094 -1.248 1.00 0.00 C ATOM 0 H VAL A 52 -9.222 -6.046 0.949 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.101 -3.074 0.778 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.521 -5.101 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.539 -3.084 -2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.869 -3.032 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.410 -2.046 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.380 -4.183 -2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.249 -3.144 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.162 -4.914 -0.698 1.00 0.00 H new ATOM 786 N ILE A 53 -11.601 -2.957 1.033 1.00 0.00 N ATOM 787 CA ILE A 53 -13.052 -2.887 1.247 1.00 0.00 C ATOM 788 C ILE A 53 -13.678 -1.811 0.361 1.00 0.00 C ATOM 789 O ILE A 53 -13.235 -0.664 0.364 1.00 0.00 O ATOM 790 CB ILE A 53 -13.341 -2.559 2.716 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.752 -3.647 3.624 1.00 0.00 C ATOM 792 CG2 ILE A 53 -14.852 -2.480 2.941 1.00 0.00 C ATOM 793 CD1 ILE A 53 -12.730 -3.142 5.066 1.00 0.00 C ATOM 0 H ILE A 53 -11.103 -2.091 1.239 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.485 -3.853 0.989 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.884 -1.600 2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.348 -4.557 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.743 -3.901 3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.052 -2.247 3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.274 -1.700 2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.308 -3.437 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.312 -3.912 5.715 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.116 -2.243 5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.746 -2.910 5.386 1.00 0.00 H new ATOM 805 N GLY A 54 -14.722 -2.180 -0.385 1.00 0.00 N ATOM 806 CA GLY A 54 -15.411 -1.223 -1.255 1.00 0.00 C ATOM 807 C GLY A 54 -14.850 -1.246 -2.675 1.00 0.00 C ATOM 808 O GLY A 54 -15.092 -0.320 -3.448 1.00 0.00 O ATOM 0 H GLY A 54 -15.106 -3.125 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.476 -1.455 -1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.313 -0.219 -0.841 1.00 0.00 H new ATOM 812 N ALA A 55 -14.079 -2.287 -3.012 1.00 0.00 N ATOM 813 CA ALA A 55 -13.467 -2.379 -4.348 1.00 0.00 C ATOM 814 C ALA A 55 -13.853 -3.666 -5.071 1.00 0.00 C ATOM 815 O ALA A 55 -14.318 -4.636 -4.473 1.00 0.00 O ATOM 816 CB ALA A 55 -11.942 -2.293 -4.223 1.00 0.00 C ATOM 0 H ALA A 55 -13.865 -3.067 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.843 -1.545 -4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.491 -2.361 -5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.668 -1.343 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.581 -3.113 -3.603 1.00 0.00 H new ATOM 822 N THR A 56 -13.614 -3.641 -6.380 1.00 0.00 N ATOM 823 CA THR A 56 -13.865 -4.752 -7.287 1.00 0.00 C ATOM 824 C THR A 56 -12.615 -5.602 -7.460 1.00 0.00 C ATOM 825 O THR A 56 -11.501 -5.168 -7.169 1.00 0.00 O ATOM 826 CB THR A 56 -14.241 -4.187 -8.656 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.162 -3.410 -9.155 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.486 -3.311 -8.525 1.00 0.00 C ATOM 0 H THR A 56 -13.229 -2.822 -6.850 1.00 0.00 H new ATOM 0 HA THR A 56 -14.665 -5.366 -6.873 1.00 0.00 H new ATOM 0 HB THR A 56 -14.449 -5.006 -9.344 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.273 -2.478 -8.874 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.753 -2.909 -9.502 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.313 -3.909 -8.141 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.282 -2.490 -7.838 1.00 0.00 H new ATOM 836 N LYS A 57 -12.830 -6.842 -7.896 1.00 0.00 N ATOM 837 CA LYS A 57 -11.746 -7.801 -8.069 1.00 0.00 C ATOM 838 C LYS A 57 -10.672 -7.296 -9.036 1.00 0.00 C ATOM 839 O LYS A 57 -9.482 -7.475 -8.776 1.00 0.00 O ATOM 840 CB LYS A 57 -12.313 -9.120 -8.616 1.00 0.00 C ATOM 841 CG LYS A 57 -13.355 -9.729 -7.661 1.00 0.00 C ATOM 842 CD LYS A 57 -13.871 -11.033 -8.271 1.00 0.00 C ATOM 843 CE LYS A 57 -14.910 -11.667 -7.347 1.00 0.00 C ATOM 844 NZ LYS A 57 -15.482 -12.874 -8.009 1.00 0.00 N ATOM 0 H LYS A 57 -13.752 -7.206 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.284 -7.946 -7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.770 -8.944 -9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.500 -9.830 -8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.909 -9.918 -6.685 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.179 -9.032 -7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.313 -10.837 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.042 -11.724 -8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.451 -11.941 -6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.701 -10.951 -7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.190 -13.310 -7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.933 -12.598 -8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.722 -13.558 -8.201 1.00 0.00 H new ATOM 858 N GLU A 58 -11.066 -6.655 -10.133 1.00 0.00 N ATOM 859 CA GLU A 58 -10.089 -6.129 -11.085 1.00 0.00 C ATOM 860 C GLU A 58 -9.280 -5.006 -10.451 1.00 0.00 C ATOM 861 O GLU A 58 -8.073 -4.899 -10.668 1.00 0.00 O ATOM 862 CB GLU A 58 -10.812 -5.608 -12.330 1.00 0.00 C ATOM 863 CG GLU A 58 -9.798 -5.280 -13.427 1.00 0.00 C ATOM 864 CD GLU A 58 -9.186 -6.563 -13.975 1.00 0.00 C ATOM 865 OE1 GLU A 58 -9.787 -7.609 -13.794 1.00 0.00 O ATOM 866 OE2 GLU A 58 -8.124 -6.482 -14.570 1.00 0.00 O ATOM 0 H GLU A 58 -12.041 -6.488 -10.384 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.408 -6.932 -11.369 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.519 -6.356 -12.689 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.389 -4.718 -12.079 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.286 -4.728 -14.231 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.015 -4.636 -13.028 1.00 0.00 H new ATOM 873 N ASP A 59 -9.951 -4.180 -9.640 1.00 0.00 N ATOM 874 CA ASP A 59 -9.279 -3.086 -8.954 1.00 0.00 C ATOM 875 C ASP A 59 -8.246 -3.663 -7.995 1.00 0.00 C ATOM 876 O ASP A 59 -7.110 -3.195 -7.915 1.00 0.00 O ATOM 877 CB ASP A 59 -10.297 -2.246 -8.182 1.00 0.00 C ATOM 878 CG ASP A 59 -11.140 -1.421 -9.150 1.00 0.00 C ATOM 879 OD1 ASP A 59 -10.715 -1.254 -10.281 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.194 -0.963 -8.744 1.00 0.00 O ATOM 0 H ASP A 59 -10.950 -4.252 -9.448 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.784 -2.446 -9.685 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.941 -2.896 -7.590 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.781 -1.586 -7.484 1.00 0.00 H new ATOM 885 N LYS A 60 -8.670 -4.693 -7.273 1.00 0.00 N ATOM 886 CA LYS A 60 -7.798 -5.354 -6.310 1.00 0.00 C ATOM 887 C LYS A 60 -6.578 -5.964 -6.999 1.00 0.00 C ATOM 888 O LYS A 60 -5.471 -5.867 -6.473 1.00 0.00 O ATOM 889 CB LYS A 60 -8.580 -6.401 -5.505 1.00 0.00 C ATOM 890 CG LYS A 60 -7.664 -7.090 -4.491 1.00 0.00 C ATOM 891 CD LYS A 60 -8.470 -8.127 -3.701 1.00 0.00 C ATOM 892 CE LYS A 60 -7.526 -8.952 -2.826 1.00 0.00 C ATOM 893 NZ LYS A 60 -8.316 -9.937 -2.033 1.00 0.00 N ATOM 0 H LYS A 60 -9.609 -5.087 -7.335 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.429 -4.605 -5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.412 -5.923 -4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.008 -7.142 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.833 -7.573 -5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.234 -6.353 -3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.214 -7.628 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.011 -8.780 -4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.797 -9.471 -3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.966 -8.297 -2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.674 -10.498 -1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.995 -9.432 -1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.831 -10.569 -2.679 1.00 0.00 H new ATOM 907 N GLN A 61 -6.745 -6.564 -8.175 1.00 0.00 N ATOM 908 CA GLN A 61 -5.590 -7.124 -8.870 1.00 0.00 C ATOM 909 C GLN A 61 -4.646 -5.985 -9.238 1.00 0.00 C ATOM 910 O GLN A 61 -3.431 -6.110 -9.088 1.00 0.00 O ATOM 911 CB GLN A 61 -6.041 -7.862 -10.131 1.00 0.00 C ATOM 912 CG GLN A 61 -6.785 -9.136 -9.735 1.00 0.00 C ATOM 913 CD GLN A 61 -7.305 -9.845 -10.979 1.00 0.00 C ATOM 914 OE1 GLN A 61 -7.406 -9.238 -12.045 1.00 0.00 O ATOM 915 NE2 GLN A 61 -7.653 -11.101 -10.904 1.00 0.00 N ATOM 0 H GLN A 61 -7.639 -6.673 -8.654 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.077 -7.835 -8.222 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.688 -7.221 -10.729 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.178 -8.109 -10.749 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.120 -9.798 -9.181 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.615 -8.891 -9.073 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.568 -11.602 -10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.010 -11.582 -11.730 1.00 0.00 H new ATOM 924 N ARG A 62 -5.203 -4.870 -9.733 1.00 0.00 N ATOM 925 CA ARG A 62 -4.371 -3.737 -10.120 1.00 0.00 C ATOM 926 C ARG A 62 -3.586 -3.238 -8.910 1.00 0.00 C ATOM 927 O ARG A 62 -2.384 -2.989 -9.001 1.00 0.00 O ATOM 928 CB ARG A 62 -5.227 -2.616 -10.724 1.00 0.00 C ATOM 929 CG ARG A 62 -4.344 -1.428 -11.127 1.00 0.00 C ATOM 930 CD ARG A 62 -5.214 -0.351 -11.780 1.00 0.00 C ATOM 931 NE ARG A 62 -4.397 0.792 -12.176 1.00 0.00 N ATOM 932 CZ ARG A 62 -3.610 0.737 -13.248 1.00 0.00 C ATOM 933 NH1 ARG A 62 -3.857 -0.122 -14.199 1.00 0.00 N ATOM 934 NH2 ARG A 62 -2.590 1.545 -13.348 1.00 0.00 N ATOM 0 H ARG A 62 -6.205 -4.735 -9.870 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.664 -4.060 -10.885 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.765 -2.990 -11.595 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.976 -2.292 -10.002 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.839 -1.022 -10.251 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.568 -1.755 -11.820 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.721 -0.763 -12.652 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.989 -0.029 -11.084 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.430 1.648 -11.622 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.655 -0.753 -14.122 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.252 -0.162 -15.020 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.397 2.217 -12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.986 1.504 -14.169 1.00 0.00 H new ATOM 948 N ILE A 63 -4.265 -3.099 -7.774 1.00 0.00 N ATOM 949 CA ILE A 63 -3.591 -2.634 -6.566 1.00 0.00 C ATOM 950 C ILE A 63 -2.459 -3.591 -6.183 1.00 0.00 C ATOM 951 O ILE A 63 -1.362 -3.148 -5.842 1.00 0.00 O ATOM 952 CB ILE A 63 -4.572 -2.438 -5.411 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.482 -1.240 -5.712 1.00 0.00 C ATOM 954 CG2 ILE A 63 -3.804 -2.167 -4.112 1.00 0.00 C ATOM 955 CD1 ILE A 63 -6.648 -1.220 -4.720 1.00 0.00 C ATOM 0 H ILE A 63 -5.260 -3.297 -7.665 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.155 -1.658 -6.779 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.171 -3.341 -5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.914 -0.312 -5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.860 -1.305 -6.732 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.511 -2.028 -3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.154 -3.013 -3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.201 -1.266 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.294 -0.369 -4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.221 -2.143 -4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.261 -1.135 -3.705 1.00 0.00 H new ATOM 967 N SER A 64 -2.701 -4.894 -6.277 1.00 0.00 N ATOM 968 CA SER A 64 -1.642 -5.853 -5.970 1.00 0.00 C ATOM 969 C SER A 64 -0.483 -5.590 -6.931 1.00 0.00 C ATOM 970 O SER A 64 0.672 -5.615 -6.512 1.00 0.00 O ATOM 971 CB SER A 64 -2.159 -7.284 -6.147 1.00 0.00 C ATOM 972 OG SER A 64 -2.369 -7.541 -7.530 1.00 0.00 O ATOM 0 H SER A 64 -3.593 -5.304 -6.555 1.00 0.00 H new ATOM 0 HA SER A 64 -1.313 -5.738 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.441 -7.995 -5.738 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.090 -7.417 -5.595 1.00 0.00 H new ATOM 0 HG SER A 64 -2.847 -6.787 -7.934 1.00 0.00 H new ATOM 978 N GLU A 65 -0.766 -5.330 -8.222 1.00 0.00 N ATOM 979 CA GLU A 65 0.309 -5.065 -9.179 1.00 0.00 C ATOM 980 C GLU A 65 1.059 -3.789 -8.788 1.00 0.00 C ATOM 981 O GLU A 65 2.289 -3.746 -8.840 1.00 0.00 O ATOM 982 CB GLU A 65 -0.239 -4.952 -10.601 1.00 0.00 C ATOM 983 CG GLU A 65 -0.704 -6.328 -11.080 1.00 0.00 C ATOM 984 CD GLU A 65 -1.273 -6.223 -12.491 1.00 0.00 C ATOM 985 OE1 GLU A 65 -1.488 -5.109 -12.939 1.00 0.00 O ATOM 986 OE2 GLU A 65 -1.485 -7.257 -13.103 1.00 0.00 O ATOM 0 H GLU A 65 -1.708 -5.299 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 65 1.005 -5.903 -9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.069 -4.246 -10.627 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.530 -4.564 -11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.131 -7.028 -11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.461 -6.722 -10.402 1.00 0.00 H new ATOM 993 N ILE A 66 0.320 -2.754 -8.397 1.00 0.00 N ATOM 994 CA ILE A 66 0.940 -1.490 -7.999 1.00 0.00 C ATOM 995 C ILE A 66 1.870 -1.692 -6.809 1.00 0.00 C ATOM 996 O ILE A 66 2.996 -1.196 -6.794 1.00 0.00 O ATOM 997 CB ILE A 66 -0.145 -0.467 -7.652 1.00 0.00 C ATOM 998 CG1 ILE A 66 -0.909 -0.090 -8.929 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.503 0.787 -7.059 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.137 0.760 -8.580 1.00 0.00 C ATOM 0 H ILE A 66 -0.699 -2.763 -8.347 1.00 0.00 H new ATOM 0 HA ILE A 66 1.533 -1.117 -8.834 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.833 -0.897 -6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.255 0.463 -9.603 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.220 -0.992 -9.455 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.270 1.514 -6.812 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.052 0.521 -6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.190 1.220 -7.786 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.670 1.021 -9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.797 0.193 -7.924 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.817 1.671 -8.074 1.00 0.00 H new ATOM 1012 N LEU A 67 1.390 -2.423 -5.816 1.00 0.00 N ATOM 1013 CA LEU A 67 2.191 -2.676 -4.640 1.00 0.00 C ATOM 1014 C LEU A 67 3.457 -3.400 -5.057 1.00 0.00 C ATOM 1015 O LEU A 67 4.549 -3.074 -4.593 1.00 0.00 O ATOM 1016 CB LEU A 67 1.399 -3.523 -3.625 1.00 0.00 C ATOM 1017 CG LEU A 67 2.307 -4.043 -2.487 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.778 -2.889 -1.588 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.511 -5.047 -1.646 1.00 0.00 C ATOM 0 H LEU A 67 0.461 -2.845 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 67 2.450 -1.731 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.592 -2.925 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.936 -4.367 -4.137 1.00 0.00 H new ATOM 0 HG LEU A 67 3.186 -4.518 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.415 -3.282 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.341 -2.170 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.912 -2.395 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.139 -5.423 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.634 -4.555 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.193 -5.878 -2.276 1.00 0.00 H new ATOM 1031 N GLN A 68 3.320 -4.355 -5.960 1.00 0.00 N ATOM 1032 CA GLN A 68 4.487 -5.067 -6.443 1.00 0.00 C ATOM 1033 C GLN A 68 5.464 -4.096 -7.116 1.00 0.00 C ATOM 1034 O GLN A 68 6.659 -4.122 -6.823 1.00 0.00 O ATOM 1035 CB GLN A 68 4.077 -6.172 -7.421 1.00 0.00 C ATOM 1036 CG GLN A 68 3.390 -7.302 -6.653 1.00 0.00 C ATOM 1037 CD GLN A 68 2.818 -8.328 -7.627 1.00 0.00 C ATOM 1038 OE1 GLN A 68 2.511 -7.997 -8.771 1.00 0.00 O ATOM 1039 NE2 GLN A 68 2.659 -9.563 -7.237 1.00 0.00 N ATOM 0 H GLN A 68 2.432 -4.650 -6.366 1.00 0.00 H new ATOM 0 HA GLN A 68 4.985 -5.528 -5.591 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.404 -5.771 -8.179 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.954 -6.554 -7.944 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.103 -7.783 -5.984 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.592 -6.896 -6.031 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.914 -9.835 -6.288 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.279 -10.256 -7.881 1.00 0.00 H new ATOM 1048 N GLU A 69 4.974 -3.261 -8.038 1.00 0.00 N ATOM 1049 CA GLU A 69 5.849 -2.327 -8.753 1.00 0.00 C ATOM 1050 C GLU A 69 6.531 -1.311 -7.826 1.00 0.00 C ATOM 1051 O GLU A 69 7.732 -1.071 -7.954 1.00 0.00 O ATOM 1052 CB GLU A 69 5.041 -1.593 -9.825 1.00 0.00 C ATOM 1053 CG GLU A 69 4.625 -2.589 -10.910 1.00 0.00 C ATOM 1054 CD GLU A 69 3.818 -1.879 -11.991 1.00 0.00 C ATOM 1055 OE1 GLU A 69 3.403 -0.758 -11.752 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.622 -2.469 -13.041 1.00 0.00 O ATOM 0 H GLU A 69 3.990 -3.212 -8.304 1.00 0.00 H new ATOM 0 HA GLU A 69 6.644 -2.916 -9.210 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.159 -1.131 -9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.636 -0.790 -10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.509 -3.050 -11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.032 -3.391 -10.470 1.00 0.00 H new ATOM 1063 N THR A 70 5.784 -0.713 -6.897 1.00 0.00 N ATOM 1064 CA THR A 70 6.375 0.266 -5.978 1.00 0.00 C ATOM 1065 C THR A 70 7.478 -0.387 -5.176 1.00 0.00 C ATOM 1066 O THR A 70 8.577 0.148 -5.017 1.00 0.00 O ATOM 1067 CB THR A 70 5.314 0.811 -5.033 1.00 0.00 C ATOM 1068 OG1 THR A 70 4.296 1.459 -5.781 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.951 1.802 -4.055 1.00 0.00 C ATOM 0 H THR A 70 4.788 -0.883 -6.760 1.00 0.00 H new ATOM 0 HA THR A 70 6.787 1.090 -6.561 1.00 0.00 H new ATOM 0 HB THR A 70 4.876 -0.013 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.741 0.787 -6.228 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.187 2.189 -3.381 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.724 1.296 -3.476 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.396 2.627 -4.611 1.00 0.00 H new ATOM 1077 N TRP A 71 7.141 -1.555 -4.668 1.00 0.00 N ATOM 1078 CA TRP A 71 8.044 -2.338 -3.856 1.00 0.00 C ATOM 1079 C TRP A 71 9.302 -2.663 -4.651 1.00 0.00 C ATOM 1080 O TRP A 71 10.405 -2.610 -4.106 1.00 0.00 O ATOM 1081 CB TRP A 71 7.254 -3.575 -3.415 1.00 0.00 C ATOM 1082 CG TRP A 71 7.988 -4.427 -2.412 1.00 0.00 C ATOM 1083 CD1 TRP A 71 8.121 -5.769 -2.523 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.638 -4.060 -1.142 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.835 -6.246 -1.443 1.00 0.00 N ATOM 1086 CE2 TRP A 71 9.176 -5.240 -0.566 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.831 -2.845 -0.441 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.871 -5.217 0.645 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.527 -2.827 0.778 1.00 0.00 C ATOM 1090 CH2 TRP A 71 10.047 -4.009 1.317 1.00 0.00 C ATOM 0 H TRP A 71 6.228 -1.988 -4.809 1.00 0.00 H new ATOM 0 HA TRP A 71 8.394 -1.806 -2.971 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.305 -3.256 -2.984 1.00 0.00 H new ATOM 0 HB3 TRP A 71 7.020 -4.179 -4.292 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.730 -6.372 -3.330 1.00 0.00 H new ATOM 0 HE1 TRP A 71 9.081 -7.227 -1.310 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.439 -1.924 -0.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.270 -6.131 1.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.662 -1.893 1.304 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.585 -3.985 2.253 1.00 0.00 H new ATOM 1101 N GLU A 72 9.160 -2.989 -5.926 1.00 0.00 N ATOM 1102 CA GLU A 72 10.314 -3.312 -6.766 1.00 0.00 C ATOM 1103 C GLU A 72 11.118 -2.062 -7.135 1.00 0.00 C ATOM 1104 O GLU A 72 12.256 -2.191 -7.589 1.00 0.00 O ATOM 1105 CB GLU A 72 9.877 -4.048 -8.036 1.00 0.00 C ATOM 1106 CG GLU A 72 9.443 -5.472 -7.684 1.00 0.00 C ATOM 1107 CD GLU A 72 8.859 -6.159 -8.914 1.00 0.00 C ATOM 1108 OE1 GLU A 72 8.776 -5.512 -9.946 1.00 0.00 O ATOM 1109 OE2 GLU A 72 8.500 -7.320 -8.807 1.00 0.00 O ATOM 0 H GLU A 72 8.261 -3.038 -6.406 1.00 0.00 H new ATOM 0 HA GLU A 72 10.960 -3.967 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.055 -3.514 -8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.698 -4.074 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.296 -6.039 -7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.702 -5.448 -6.885 1.00 0.00 H new ATOM 1116 N SER A 73 10.549 -0.850 -6.976 1.00 0.00 N ATOM 1117 CA SER A 73 11.282 0.378 -7.349 1.00 0.00 C ATOM 1118 C SER A 73 11.717 1.165 -6.112 1.00 0.00 C ATOM 1119 O SER A 73 11.900 2.381 -6.164 1.00 0.00 O ATOM 1120 CB SER A 73 10.398 1.249 -8.244 1.00 0.00 C ATOM 1121 OG SER A 73 10.915 2.574 -8.280 1.00 0.00 O ATOM 0 H SER A 73 9.612 -0.695 -6.603 1.00 0.00 H new ATOM 0 HA SER A 73 12.182 0.090 -7.892 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.362 0.834 -9.251 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.376 1.257 -7.866 1.00 0.00 H new ATOM 0 HG SER A 73 10.877 2.965 -7.382 1.00 0.00 H new ATOM 1127 N ALA A 74 11.822 0.469 -4.987 1.00 0.00 N ATOM 1128 CA ALA A 74 12.162 1.079 -3.705 1.00 0.00 C ATOM 1129 C ALA A 74 13.459 1.898 -3.676 1.00 0.00 C ATOM 1130 O ALA A 74 13.532 2.918 -2.999 1.00 0.00 O ATOM 1131 CB ALA A 74 12.295 -0.040 -2.672 1.00 0.00 C ATOM 0 H ALA A 74 11.673 -0.539 -4.937 1.00 0.00 H new ATOM 0 HA ALA A 74 11.359 1.786 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.549 0.388 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.350 -0.578 -2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.081 -0.729 -2.981 1.00 0.00 H new ATOM 1137 N ASP A 75 14.478 1.443 -4.391 1.00 0.00 N ATOM 1138 CA ASP A 75 15.769 2.138 -4.399 1.00 0.00 C ATOM 1139 C ASP A 75 15.664 3.538 -5.008 1.00 0.00 C ATOM 1140 O ASP A 75 16.503 4.397 -4.734 1.00 0.00 O ATOM 1141 CB ASP A 75 16.780 1.315 -5.198 1.00 0.00 C ATOM 1142 CG ASP A 75 17.133 0.044 -4.432 1.00 0.00 C ATOM 1143 OD1 ASP A 75 17.007 0.052 -3.218 1.00 0.00 O ATOM 1144 OD2 ASP A 75 17.517 -0.922 -5.070 1.00 0.00 O ATOM 0 H ASP A 75 14.443 0.604 -4.970 1.00 0.00 H new ATOM 0 HA ASP A 75 16.094 2.248 -3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.365 1.059 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.680 1.903 -5.379 1.00 0.00 H new ATOM 1149 N ASP A 76 14.651 3.773 -5.829 1.00 0.00 N ATOM 1150 CA ASP A 76 14.476 5.082 -6.463 1.00 0.00 C ATOM 1151 C ASP A 76 13.650 6.032 -5.592 1.00 0.00 C ATOM 1152 O ASP A 76 13.987 7.211 -5.482 1.00 0.00 O ATOM 1153 CB ASP A 76 13.805 4.915 -7.828 1.00 0.00 C ATOM 1154 CG ASP A 76 14.784 4.288 -8.816 1.00 0.00 C ATOM 1155 OD1 ASP A 76 15.972 4.310 -8.539 1.00 0.00 O ATOM 1156 OD2 ASP A 76 14.332 3.801 -9.840 1.00 0.00 O ATOM 0 H ASP A 76 13.940 3.084 -6.074 1.00 0.00 H new ATOM 0 HA ASP A 76 15.465 5.522 -6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.919 4.287 -7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.471 5.884 -8.199 1.00 0.00 H new ATOM 1161 N TRP A 77 12.554 5.548 -5.007 1.00 0.00 N ATOM 1162 CA TRP A 77 11.697 6.425 -4.193 1.00 0.00 C ATOM 1163 C TRP A 77 11.949 6.329 -2.691 1.00 0.00 C ATOM 1164 O TRP A 77 11.599 7.257 -1.963 1.00 0.00 O ATOM 1165 CB TRP A 77 10.223 6.180 -4.492 1.00 0.00 C ATOM 1166 CG TRP A 77 9.723 4.917 -3.846 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.582 3.717 -4.475 1.00 0.00 C ATOM 1168 CD2 TRP A 77 9.257 4.706 -2.464 1.00 0.00 C ATOM 1169 NE1 TRP A 77 9.038 2.809 -3.593 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.819 3.361 -2.352 1.00 0.00 C ATOM 1171 CE3 TRP A 77 9.155 5.530 -1.306 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.298 2.855 -1.165 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.628 5.009 -0.118 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.198 3.682 -0.050 1.00 0.00 C ATOM 0 H TRP A 77 12.240 4.580 -5.075 1.00 0.00 H new ATOM 0 HA TRP A 77 11.969 7.440 -4.484 1.00 0.00 H new ATOM 0 HB2 TRP A 77 9.635 7.027 -4.138 1.00 0.00 H new ATOM 0 HB3 TRP A 77 10.076 6.119 -5.570 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.853 3.511 -5.500 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.823 1.841 -3.832 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.485 6.558 -1.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 7.973 1.827 -1.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.553 5.640 0.755 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.786 3.296 0.871 1.00 0.00 H new ATOM 1185 N PHE A 78 12.588 5.268 -2.201 1.00 0.00 N ATOM 1186 CA PHE A 78 12.866 5.211 -0.762 1.00 0.00 C ATOM 1187 C PHE A 78 14.171 5.927 -0.480 1.00 0.00 C ATOM 1188 O PHE A 78 15.188 5.688 -1.131 1.00 0.00 O ATOM 1189 CB PHE A 78 12.950 3.778 -0.224 1.00 0.00 C ATOM 1190 CG PHE A 78 13.286 3.847 1.261 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.383 4.444 2.163 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.511 3.343 1.741 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.706 4.532 3.523 1.00 0.00 C ATOM 1194 CE2 PHE A 78 14.822 3.431 3.103 1.00 0.00 C ATOM 1195 CZ PHE A 78 13.921 4.026 3.992 1.00 0.00 C ATOM 0 H PHE A 78 12.911 4.469 -2.747 1.00 0.00 H new ATOM 0 HA PHE A 78 12.033 5.696 -0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 78 12.004 3.259 -0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.713 3.214 -0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.441 4.834 1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 78 15.212 2.888 1.057 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.013 4.993 4.212 1.00 0.00 H new ATOM 0 HE2 PHE A 78 15.760 3.039 3.468 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.165 4.094 5.042 1.00 0.00 H new ATOM 1205 N VAL A 79 14.117 6.826 0.488 1.00 0.00 N ATOM 1206 CA VAL A 79 15.263 7.631 0.890 1.00 0.00 C ATOM 1207 C VAL A 79 15.526 7.402 2.377 1.00 0.00 C ATOM 1208 O VAL A 79 14.597 7.098 3.126 1.00 0.00 O ATOM 1209 CB VAL A 79 14.943 9.111 0.593 1.00 0.00 C ATOM 1210 CG1 VAL A 79 13.459 9.386 0.881 1.00 0.00 C ATOM 1211 CG2 VAL A 79 15.812 10.032 1.457 1.00 0.00 C ATOM 0 H VAL A 79 13.271 7.021 1.023 1.00 0.00 H new ATOM 0 HA VAL A 79 16.160 7.351 0.338 1.00 0.00 H new ATOM 0 HB VAL A 79 15.156 9.311 -0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.235 10.432 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 79 12.841 8.748 0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.246 9.173 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 79 15.573 11.072 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.618 9.833 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 79 16.864 9.847 1.241 1.00 0.00 H new