USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 889 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 5 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 6 GLN : amide:sc= -0.28 K(o=-0.28,f=-4.4!) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0225 (180deg=-0.298) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0946 (180deg=-0.119) USER MOD Single : A 2 SER OG : rot -5:sc= 0.485 USER MOD Single : A 18 MET CE :methyl -122:sc= -0.631 (180deg=-1.18) USER MOD Single : A 19 MET CE :methyl 160:sc= -0.203 (180deg=-1.14) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= 0.699 (180deg=0.441) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.35 K(o=1.3,f=-1) USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= -0.108 (180deg=-0.521) USER MOD Single : A 65 SER OG : rot 31:sc= 0.129 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -160:sc= -0.146 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.49! C(o=-1.5!,f=-1.6!) USER MOD Single : A 102 LYS NZ :NH3+ -159:sc= -0.0776 (180deg=-0.527) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 106 MET CE :methyl -152:sc= -1.04 (180deg=-2.36) USER MOD Single : A 111 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0862) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.560 8.618 -1.251 1.00 0.00 N ATOM 2 CA MET A 1 5.747 8.125 -0.525 1.00 0.00 C ATOM 3 C MET A 1 5.981 6.647 -0.836 1.00 0.00 C ATOM 4 O MET A 1 5.103 5.988 -1.388 1.00 0.00 O ATOM 5 CB MET A 1 5.593 8.345 0.986 1.00 0.00 C ATOM 6 CG MET A 1 4.423 7.533 1.548 1.00 0.00 C ATOM 7 SD MET A 1 4.238 7.653 3.350 1.00 0.00 S ATOM 8 CE MET A 1 3.827 9.409 3.494 1.00 0.00 C ATOM 0 H1 MET A 1 3.963 9.172 -0.604 1.00 0.00 H new ATOM 0 H2 MET A 1 4.863 9.219 -2.044 1.00 0.00 H new ATOM 0 H3 MET A 1 4.017 7.810 -1.617 1.00 0.00 H new ATOM 0 HA MET A 1 6.616 8.691 -0.860 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.514 8.059 1.493 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.434 9.404 1.187 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.500 7.870 1.075 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.557 6.486 1.276 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.438 9.611 4.492 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.722 10.007 3.326 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.073 9.668 2.751 1.00 0.00 H new ATOM 20 N SER A 2 7.170 6.144 -0.475 1.00 0.00 N ATOM 21 CA SER A 2 7.552 4.742 -0.641 1.00 0.00 C ATOM 22 C SER A 2 7.238 4.220 -2.046 1.00 0.00 C ATOM 23 O SER A 2 6.934 3.041 -2.212 1.00 0.00 O ATOM 24 CB SER A 2 6.928 3.874 0.459 1.00 0.00 C ATOM 25 OG SER A 2 5.520 3.837 0.343 1.00 0.00 O ATOM 0 H SER A 2 7.903 6.713 -0.052 1.00 0.00 H new ATOM 0 HA SER A 2 8.635 4.678 -0.533 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.327 2.862 0.398 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.205 4.267 1.437 1.00 0.00 H new ATOM 0 HG SER A 2 5.234 4.448 -0.368 1.00 0.00 H new ATOM 31 N ALA A 3 7.310 5.096 -3.054 1.00 0.00 N ATOM 32 CA ALA A 3 7.009 4.731 -4.434 1.00 0.00 C ATOM 33 C ALA A 3 8.177 3.982 -5.085 1.00 0.00 C ATOM 34 O ALA A 3 8.140 3.699 -6.281 1.00 0.00 O ATOM 35 CB ALA A 3 6.656 5.994 -5.220 1.00 0.00 C ATOM 0 H ALA A 3 7.578 6.073 -2.933 1.00 0.00 H new ATOM 0 HA ALA A 3 6.157 4.052 -4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.430 5.729 -6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 3 5.786 6.472 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.500 6.683 -5.199 1.00 0.00 H new ATOM 41 N LEU A 4 9.207 3.664 -4.300 1.00 0.00 N ATOM 42 CA LEU A 4 10.381 2.955 -4.781 1.00 0.00 C ATOM 43 C LEU A 4 10.001 1.539 -5.216 1.00 0.00 C ATOM 44 O LEU A 4 9.423 0.785 -4.432 1.00 0.00 O ATOM 45 CB LEU A 4 11.412 2.933 -3.648 1.00 0.00 C ATOM 46 CG LEU A 4 12.614 2.029 -3.962 1.00 0.00 C ATOM 47 CD1 LEU A 4 13.346 2.507 -5.210 1.00 0.00 C ATOM 48 CD2 LEU A 4 13.584 2.056 -2.785 1.00 0.00 C ATOM 0 H LEU A 4 9.245 3.895 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 4 10.805 3.456 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.764 3.948 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.932 2.589 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 4 12.247 1.017 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.192 1.850 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 4 12.665 2.490 -6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.706 3.524 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.439 1.416 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.928 3.077 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.079 1.694 -1.889 1.00 0.00 H new ATOM 60 N THR A 5 10.330 1.182 -6.461 1.00 0.00 N ATOM 61 CA THR A 5 10.060 -0.154 -6.993 1.00 0.00 C ATOM 62 C THR A 5 11.122 -0.449 -8.051 1.00 0.00 C ATOM 63 O THR A 5 11.635 -1.567 -8.098 1.00 0.00 O ATOM 64 CB THR A 5 8.680 -0.186 -7.663 1.00 0.00 C ATOM 65 OG1 THR A 5 8.366 1.070 -8.216 1.00 0.00 O ATOM 66 CG2 THR A 5 7.607 -0.559 -6.645 1.00 0.00 C ATOM 0 H THR A 5 10.788 1.808 -7.124 1.00 0.00 H new ATOM 0 HA THR A 5 10.081 -0.889 -6.188 1.00 0.00 H new ATOM 0 HB THR A 5 8.710 -0.932 -8.457 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.483 1.029 -8.640 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.633 -0.578 -7.134 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.825 -1.544 -6.231 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.596 0.178 -5.842 1.00 0.00 H new ATOM 74 N GLN A 6 11.461 0.527 -8.894 1.00 0.00 N ATOM 75 CA GLN A 6 12.466 0.314 -9.926 1.00 0.00 C ATOM 76 C GLN A 6 13.866 0.398 -9.333 1.00 0.00 C ATOM 77 O GLN A 6 14.295 1.467 -8.900 1.00 0.00 O ATOM 78 CB GLN A 6 12.298 1.332 -11.058 1.00 0.00 C ATOM 79 CG GLN A 6 10.933 1.177 -11.745 1.00 0.00 C ATOM 80 CD GLN A 6 9.809 1.871 -10.987 1.00 0.00 C ATOM 81 OE1 GLN A 6 10.049 2.683 -10.096 1.00 0.00 O ATOM 82 NE2 GLN A 6 8.567 1.554 -11.343 1.00 0.00 N ATOM 0 H GLN A 6 11.057 1.463 -8.880 1.00 0.00 H new ATOM 0 HA GLN A 6 12.328 -0.685 -10.340 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.395 2.342 -10.660 1.00 0.00 H new ATOM 0 HB3 GLN A 6 13.094 1.200 -11.791 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.991 1.585 -12.754 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.699 0.117 -11.843 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.407 0.875 -12.087 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.774 1.990 -10.871 1.00 0.00 H new ATOM 91 N ILE A 7 14.575 -0.737 -9.317 1.00 0.00 N ATOM 92 CA ILE A 7 15.931 -0.798 -8.794 1.00 0.00 C ATOM 93 C ILE A 7 16.859 -1.481 -9.796 1.00 0.00 C ATOM 94 O ILE A 7 16.535 -2.551 -10.314 1.00 0.00 O ATOM 95 CB ILE A 7 15.935 -1.512 -7.437 1.00 0.00 C ATOM 96 CG1 ILE A 7 15.013 -0.746 -6.474 1.00 0.00 C ATOM 97 CG2 ILE A 7 17.369 -1.569 -6.893 1.00 0.00 C ATOM 98 CD1 ILE A 7 15.146 -1.226 -5.027 1.00 0.00 C ATOM 0 H ILE A 7 14.222 -1.628 -9.665 1.00 0.00 H new ATOM 0 HA ILE A 7 16.305 0.214 -8.642 1.00 0.00 H new ATOM 0 HB ILE A 7 15.569 -2.533 -7.543 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.245 0.318 -6.523 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.979 -0.862 -6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 7 17.372 -2.076 -5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.002 -2.115 -7.592 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.753 -0.556 -6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.473 -0.652 -4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.887 -2.283 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.173 -1.085 -4.690 1.00 0.00 H new ATOM 110 N LEU A 8 18.012 -0.866 -10.064 1.00 0.00 N ATOM 111 CA LEU A 8 19.031 -1.453 -10.923 1.00 0.00 C ATOM 112 C LEU A 8 20.070 -2.180 -10.069 1.00 0.00 C ATOM 113 O LEU A 8 20.278 -1.835 -8.909 1.00 0.00 O ATOM 114 CB LEU A 8 19.687 -0.362 -11.778 1.00 0.00 C ATOM 115 CG LEU A 8 20.395 -0.984 -12.990 1.00 0.00 C ATOM 116 CD1 LEU A 8 19.400 -1.120 -14.140 1.00 0.00 C ATOM 117 CD2 LEU A 8 21.565 -0.115 -13.450 1.00 0.00 C ATOM 0 H LEU A 8 18.261 0.050 -9.691 1.00 0.00 H new ATOM 0 HA LEU A 8 18.569 -2.178 -11.593 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.932 0.348 -12.115 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.404 0.197 -11.177 1.00 0.00 H new ATOM 0 HG LEU A 8 20.779 -1.961 -12.697 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.899 -1.561 -15.003 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.573 -1.760 -13.832 1.00 0.00 H new ATOM 0 HD13 LEU A 8 19.016 -0.135 -14.407 1.00 0.00 H new ATOM 0 HD21 LEU A 8 22.048 -0.580 -14.310 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.197 0.872 -13.730 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.286 -0.016 -12.638 1.00 0.00 H new ATOM 129 N ILE A 9 20.726 -3.191 -10.642 1.00 0.00 N ATOM 130 CA ILE A 9 21.767 -3.937 -9.953 1.00 0.00 C ATOM 131 C ILE A 9 23.028 -3.931 -10.814 1.00 0.00 C ATOM 132 O ILE A 9 22.946 -4.014 -12.039 1.00 0.00 O ATOM 133 CB ILE A 9 21.278 -5.362 -9.666 1.00 0.00 C ATOM 134 CG1 ILE A 9 19.923 -5.346 -8.946 1.00 0.00 C ATOM 135 CG2 ILE A 9 22.312 -6.120 -8.824 1.00 0.00 C ATOM 136 CD1 ILE A 9 19.280 -6.735 -8.978 1.00 0.00 C ATOM 0 H ILE A 9 20.547 -3.511 -11.594 1.00 0.00 H new ATOM 0 HA ILE A 9 22.002 -3.473 -8.995 1.00 0.00 H new ATOM 0 HB ILE A 9 21.152 -5.873 -10.620 1.00 0.00 H new ATOM 0 HG12 ILE A 9 20.058 -5.025 -7.913 1.00 0.00 H new ATOM 0 HG13 ILE A 9 19.261 -4.622 -9.421 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.952 -7.130 -8.628 1.00 0.00 H new ATOM 0 HG22 ILE A 9 23.256 -6.170 -9.366 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.464 -5.599 -7.879 1.00 0.00 H new ATOM 0 HD11 ILE A 9 18.320 -6.704 -8.463 1.00 0.00 H new ATOM 0 HD12 ILE A 9 19.126 -7.041 -10.013 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.935 -7.451 -8.481 1.00 0.00 H new ATOM 148 N VAL A 10 24.199 -3.832 -10.177 1.00 0.00 N ATOM 149 CA VAL A 10 25.473 -3.791 -10.886 1.00 0.00 C ATOM 150 C VAL A 10 26.481 -4.709 -10.214 1.00 0.00 C ATOM 151 O VAL A 10 27.083 -4.343 -9.207 1.00 0.00 O ATOM 152 CB VAL A 10 25.995 -2.352 -10.971 1.00 0.00 C ATOM 153 CG1 VAL A 10 27.223 -2.298 -11.876 1.00 0.00 C ATOM 154 CG2 VAL A 10 24.921 -1.406 -11.518 1.00 0.00 C ATOM 0 H VAL A 10 24.286 -3.779 -9.162 1.00 0.00 H new ATOM 0 HA VAL A 10 25.321 -4.149 -11.904 1.00 0.00 H new ATOM 0 HB VAL A 10 26.262 -2.030 -9.964 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.589 -1.273 -11.932 1.00 0.00 H new ATOM 0 HG12 VAL A 10 28.004 -2.940 -11.468 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.954 -2.642 -12.875 1.00 0.00 H new ATOM 0 HG21 VAL A 10 25.320 -0.393 -11.567 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.626 -1.729 -12.516 1.00 0.00 H new ATOM 0 HG23 VAL A 10 24.052 -1.423 -10.860 1.00 0.00 H new ATOM 164 N GLU A 11 26.661 -5.907 -10.777 1.00 0.00 N ATOM 165 CA GLU A 11 27.501 -6.948 -10.199 1.00 0.00 C ATOM 166 C GLU A 11 28.073 -7.826 -11.310 1.00 0.00 C ATOM 167 O GLU A 11 27.625 -7.757 -12.452 1.00 0.00 O ATOM 168 CB GLU A 11 26.671 -7.812 -9.243 1.00 0.00 C ATOM 169 CG GLU A 11 26.113 -6.997 -8.072 1.00 0.00 C ATOM 170 CD GLU A 11 25.352 -7.873 -7.083 1.00 0.00 C ATOM 171 OE1 GLU A 11 25.051 -7.355 -5.986 1.00 0.00 O ATOM 172 OE2 GLU A 11 25.084 -9.046 -7.428 1.00 0.00 O ATOM 0 H GLU A 11 26.221 -6.180 -11.656 1.00 0.00 H new ATOM 0 HA GLU A 11 28.318 -6.482 -9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 11 25.848 -8.270 -9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 11 27.289 -8.623 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 11 26.931 -6.494 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 11 25.451 -6.220 -8.453 1.00 0.00 H new ATOM 179 N ASP A 12 29.068 -8.652 -10.974 1.00 0.00 N ATOM 180 CA ASP A 12 29.669 -9.565 -11.940 1.00 0.00 C ATOM 181 C ASP A 12 29.482 -11.031 -11.528 1.00 0.00 C ATOM 182 O ASP A 12 29.856 -11.932 -12.277 1.00 0.00 O ATOM 183 CB ASP A 12 31.149 -9.217 -12.144 1.00 0.00 C ATOM 184 CG ASP A 12 31.964 -9.263 -10.852 1.00 0.00 C ATOM 185 OD1 ASP A 12 33.158 -8.902 -10.926 1.00 0.00 O ATOM 186 OD2 ASP A 12 31.396 -9.660 -9.808 1.00 0.00 O ATOM 0 H ASP A 12 29.472 -8.704 -10.039 1.00 0.00 H new ATOM 0 HA ASP A 12 29.154 -9.442 -12.893 1.00 0.00 H new ATOM 0 HB2 ASP A 12 31.583 -9.911 -12.864 1.00 0.00 H new ATOM 0 HB3 ASP A 12 31.224 -8.220 -12.578 1.00 0.00 H new ATOM 191 N GLU A 13 28.907 -11.281 -10.343 1.00 0.00 N ATOM 192 CA GLU A 13 28.626 -12.633 -9.882 1.00 0.00 C ATOM 193 C GLU A 13 27.166 -12.977 -10.190 1.00 0.00 C ATOM 194 O GLU A 13 26.278 -12.175 -9.904 1.00 0.00 O ATOM 195 CB GLU A 13 28.885 -12.716 -8.369 1.00 0.00 C ATOM 196 CG GLU A 13 28.766 -14.153 -7.847 1.00 0.00 C ATOM 197 CD GLU A 13 29.936 -15.037 -8.288 1.00 0.00 C ATOM 198 OE1 GLU A 13 29.919 -16.229 -7.902 1.00 0.00 O ATOM 199 OE2 GLU A 13 30.829 -14.527 -8.999 1.00 0.00 O ATOM 0 H GLU A 13 28.628 -10.552 -9.687 1.00 0.00 H new ATOM 0 HA GLU A 13 29.274 -13.345 -10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 13 29.881 -12.331 -8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 13 28.174 -12.079 -7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 13 28.717 -14.138 -6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.832 -14.589 -8.202 1.00 0.00 H new ATOM 206 N PRO A 14 26.900 -14.162 -10.762 1.00 0.00 N ATOM 207 CA PRO A 14 25.548 -14.598 -11.059 1.00 0.00 C ATOM 208 C PRO A 14 24.767 -14.914 -9.791 1.00 0.00 C ATOM 209 O PRO A 14 23.586 -14.586 -9.700 1.00 0.00 O ATOM 210 CB PRO A 14 25.695 -15.855 -11.915 1.00 0.00 C ATOM 211 CG PRO A 14 27.111 -16.363 -11.636 1.00 0.00 C ATOM 212 CD PRO A 14 27.892 -15.126 -11.192 1.00 0.00 C ATOM 0 HA PRO A 14 24.994 -13.812 -11.573 1.00 0.00 H new ATOM 0 HB2 PRO A 14 24.948 -16.603 -11.649 1.00 0.00 H new ATOM 0 HB3 PRO A 14 25.558 -15.630 -12.973 1.00 0.00 H new ATOM 0 HG2 PRO A 14 27.110 -17.129 -10.861 1.00 0.00 H new ATOM 0 HG3 PRO A 14 27.553 -16.811 -12.526 1.00 0.00 H new ATOM 0 HD2 PRO A 14 28.578 -15.368 -10.381 1.00 0.00 H new ATOM 0 HD3 PRO A 14 28.493 -14.729 -12.010 1.00 0.00 H new ATOM 220 N LEU A 15 25.415 -15.552 -8.814 1.00 0.00 N ATOM 221 CA LEU A 15 24.734 -16.039 -7.621 1.00 0.00 C ATOM 222 C LEU A 15 24.137 -14.885 -6.821 1.00 0.00 C ATOM 223 O LEU A 15 23.009 -14.991 -6.342 1.00 0.00 O ATOM 224 CB LEU A 15 25.722 -16.826 -6.751 1.00 0.00 C ATOM 225 CG LEU A 15 25.828 -18.288 -7.193 1.00 0.00 C ATOM 226 CD1 LEU A 15 26.436 -18.418 -8.587 1.00 0.00 C ATOM 227 CD2 LEU A 15 26.715 -19.042 -6.203 1.00 0.00 C ATOM 0 H LEU A 15 26.417 -15.742 -8.830 1.00 0.00 H new ATOM 0 HA LEU A 15 23.918 -16.693 -7.930 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.705 -16.358 -6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 15 25.403 -16.783 -5.709 1.00 0.00 H new ATOM 0 HG LEU A 15 24.821 -18.705 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.493 -19.471 -8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 15 25.812 -17.888 -9.307 1.00 0.00 H new ATOM 0 HD13 LEU A 15 27.437 -17.988 -8.589 1.00 0.00 H new ATOM 0 HD21 LEU A 15 26.797 -20.085 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 15 27.707 -18.590 -6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 15 26.275 -18.990 -5.207 1.00 0.00 H new ATOM 239 N ILE A 16 24.872 -13.784 -6.668 1.00 0.00 N ATOM 240 CA ILE A 16 24.383 -12.656 -5.884 1.00 0.00 C ATOM 241 C ILE A 16 23.329 -11.885 -6.676 1.00 0.00 C ATOM 242 O ILE A 16 22.413 -11.312 -6.092 1.00 0.00 O ATOM 243 CB ILE A 16 25.555 -11.742 -5.500 1.00 0.00 C ATOM 244 CG1 ILE A 16 26.728 -12.543 -4.915 1.00 0.00 C ATOM 245 CG2 ILE A 16 25.083 -10.687 -4.495 1.00 0.00 C ATOM 246 CD1 ILE A 16 26.348 -13.302 -3.642 1.00 0.00 C ATOM 0 H ILE A 16 25.799 -13.652 -7.073 1.00 0.00 H new ATOM 0 HA ILE A 16 23.919 -13.026 -4.970 1.00 0.00 H new ATOM 0 HB ILE A 16 25.909 -11.249 -6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 16 27.087 -13.251 -5.662 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.553 -11.865 -4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.919 -10.041 -4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.290 -10.087 -4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 16 24.703 -11.181 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 16 27.215 -13.850 -3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 16 26.015 -12.595 -2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.543 -14.003 -3.863 1.00 0.00 H new ATOM 258 N ALA A 17 23.453 -11.871 -8.007 1.00 0.00 N ATOM 259 CA ALA A 17 22.529 -11.137 -8.854 1.00 0.00 C ATOM 260 C ALA A 17 21.167 -11.824 -8.893 1.00 0.00 C ATOM 261 O ALA A 17 20.140 -11.151 -8.842 1.00 0.00 O ATOM 262 CB ALA A 17 23.114 -11.028 -10.262 1.00 0.00 C ATOM 0 H ALA A 17 24.188 -12.363 -8.515 1.00 0.00 H new ATOM 0 HA ALA A 17 22.386 -10.138 -8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.424 -10.478 -10.901 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.068 -10.502 -10.220 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.269 -12.027 -10.670 1.00 0.00 H new ATOM 268 N MET A 18 21.143 -13.158 -8.977 1.00 0.00 N ATOM 269 CA MET A 18 19.884 -13.891 -9.053 1.00 0.00 C ATOM 270 C MET A 18 19.191 -13.903 -7.690 1.00 0.00 C ATOM 271 O MET A 18 17.970 -14.038 -7.620 1.00 0.00 O ATOM 272 CB MET A 18 20.137 -15.316 -9.563 1.00 0.00 C ATOM 273 CG MET A 18 20.967 -16.137 -8.574 1.00 0.00 C ATOM 274 SD MET A 18 21.294 -17.836 -9.110 1.00 0.00 S ATOM 275 CE MET A 18 22.332 -17.511 -10.557 1.00 0.00 C ATOM 0 H MET A 18 21.977 -13.745 -8.994 1.00 0.00 H new ATOM 0 HA MET A 18 19.221 -13.390 -9.758 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.183 -15.814 -9.737 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.654 -15.272 -10.522 1.00 0.00 H new ATOM 0 HG2 MET A 18 21.918 -15.631 -8.407 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.448 -16.164 -7.616 1.00 0.00 H new ATOM 0 HE1 MET A 18 21.876 -17.959 -11.440 1.00 0.00 H new ATOM 0 HE2 MET A 18 22.426 -16.435 -10.703 1.00 0.00 H new ATOM 0 HE3 MET A 18 23.320 -17.944 -10.400 1.00 0.00 H new ATOM 285 N MET A 19 19.960 -13.759 -6.606 1.00 0.00 N ATOM 286 CA MET A 19 19.383 -13.620 -5.277 1.00 0.00 C ATOM 287 C MET A 19 18.675 -12.275 -5.147 1.00 0.00 C ATOM 288 O MET A 19 17.631 -12.182 -4.503 1.00 0.00 O ATOM 289 CB MET A 19 20.480 -13.755 -4.215 1.00 0.00 C ATOM 290 CG MET A 19 20.852 -15.227 -4.015 1.00 0.00 C ATOM 291 SD MET A 19 22.069 -15.517 -2.702 1.00 0.00 S ATOM 292 CE MET A 19 21.068 -15.046 -1.265 1.00 0.00 C ATOM 0 H MET A 19 20.980 -13.736 -6.629 1.00 0.00 H new ATOM 0 HA MET A 19 18.649 -14.411 -5.124 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.361 -13.189 -4.519 1.00 0.00 H new ATOM 0 HB3 MET A 19 20.137 -13.329 -3.272 1.00 0.00 H new ATOM 0 HG2 MET A 19 19.947 -15.791 -3.787 1.00 0.00 H new ATOM 0 HG3 MET A 19 21.245 -15.621 -4.952 1.00 0.00 H new ATOM 0 HE1 MET A 19 21.499 -15.481 -0.363 1.00 0.00 H new ATOM 0 HE2 MET A 19 21.052 -13.960 -1.173 1.00 0.00 H new ATOM 0 HE3 MET A 19 20.050 -15.414 -1.394 1.00 0.00 H new ATOM 302 N LEU A 20 19.237 -11.228 -5.759 1.00 0.00 N ATOM 303 CA LEU A 20 18.660 -9.896 -5.681 1.00 0.00 C ATOM 304 C LEU A 20 17.418 -9.786 -6.564 1.00 0.00 C ATOM 305 O LEU A 20 16.518 -9.011 -6.259 1.00 0.00 O ATOM 306 CB LEU A 20 19.709 -8.862 -6.100 1.00 0.00 C ATOM 307 CG LEU A 20 20.782 -8.692 -5.021 1.00 0.00 C ATOM 308 CD1 LEU A 20 21.931 -7.863 -5.586 1.00 0.00 C ATOM 309 CD2 LEU A 20 20.212 -7.970 -3.800 1.00 0.00 C ATOM 0 H LEU A 20 20.092 -11.284 -6.313 1.00 0.00 H new ATOM 0 HA LEU A 20 18.354 -9.704 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.176 -9.172 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.224 -7.904 -6.288 1.00 0.00 H new ATOM 0 HG LEU A 20 21.132 -9.679 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.699 -7.738 -4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.357 -8.373 -6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.559 -6.885 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 20 20.991 -7.860 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.851 -6.985 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.387 -8.550 -3.387 1.00 0.00 H new ATOM 321 N GLU A 21 17.356 -10.556 -7.655 1.00 0.00 N ATOM 322 CA GLU A 21 16.170 -10.568 -8.503 1.00 0.00 C ATOM 323 C GLU A 21 15.005 -11.248 -7.781 1.00 0.00 C ATOM 324 O GLU A 21 13.849 -10.891 -7.999 1.00 0.00 O ATOM 325 CB GLU A 21 16.475 -11.298 -9.812 1.00 0.00 C ATOM 326 CG GLU A 21 17.394 -10.453 -10.696 1.00 0.00 C ATOM 327 CD GLU A 21 17.736 -11.172 -12.003 1.00 0.00 C ATOM 328 OE1 GLU A 21 18.381 -10.525 -12.857 1.00 0.00 O ATOM 329 OE2 GLU A 21 17.354 -12.358 -12.139 1.00 0.00 O ATOM 0 H GLU A 21 18.107 -11.172 -7.966 1.00 0.00 H new ATOM 0 HA GLU A 21 15.887 -9.539 -8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.947 -12.257 -9.599 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.546 -11.511 -10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 21 16.911 -9.502 -10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.312 -10.225 -10.154 1.00 0.00 H new ATOM 336 N ASP A 22 15.307 -12.223 -6.916 1.00 0.00 N ATOM 337 CA ASP A 22 14.286 -12.937 -6.173 1.00 0.00 C ATOM 338 C ASP A 22 13.751 -12.082 -5.023 1.00 0.00 C ATOM 339 O ASP A 22 12.547 -12.038 -4.781 1.00 0.00 O ATOM 340 CB ASP A 22 14.882 -14.250 -5.655 1.00 0.00 C ATOM 341 CG ASP A 22 13.895 -15.055 -4.811 1.00 0.00 C ATOM 342 OD1 ASP A 22 12.671 -14.877 -5.010 1.00 0.00 O ATOM 343 OD2 ASP A 22 14.375 -15.847 -3.968 1.00 0.00 O ATOM 0 H ASP A 22 16.259 -12.530 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 22 13.443 -13.157 -6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.207 -14.855 -6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.769 -14.032 -5.060 1.00 0.00 H new ATOM 348 N PHE A 23 14.651 -11.392 -4.310 1.00 0.00 N ATOM 349 CA PHE A 23 14.262 -10.580 -3.171 1.00 0.00 C ATOM 350 C PHE A 23 13.484 -9.315 -3.524 1.00 0.00 C ATOM 351 O PHE A 23 12.679 -8.844 -2.728 1.00 0.00 O ATOM 352 CB PHE A 23 15.472 -10.254 -2.301 1.00 0.00 C ATOM 353 CG PHE A 23 15.962 -11.425 -1.481 1.00 0.00 C ATOM 354 CD1 PHE A 23 17.302 -11.823 -1.564 1.00 0.00 C ATOM 355 CD2 PHE A 23 15.085 -12.115 -0.634 1.00 0.00 C ATOM 356 CE1 PHE A 23 17.763 -12.911 -0.811 1.00 0.00 C ATOM 357 CE2 PHE A 23 15.543 -13.210 0.115 1.00 0.00 C ATOM 358 CZ PHE A 23 16.883 -13.605 0.027 1.00 0.00 C ATOM 0 H PHE A 23 15.651 -11.386 -4.509 1.00 0.00 H new ATOM 0 HA PHE A 23 13.561 -11.194 -2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.283 -9.903 -2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.216 -9.434 -1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.983 -11.289 -2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 23 14.054 -11.803 -0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 23 18.797 -13.214 -0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 23 14.862 -13.747 0.759 1.00 0.00 H new ATOM 0 HZ PHE A 23 17.238 -14.445 0.606 1.00 0.00 H new ATOM 368 N LEU A 24 13.716 -8.761 -4.714 1.00 0.00 N ATOM 369 CA LEU A 24 12.992 -7.579 -5.143 1.00 0.00 C ATOM 370 C LEU A 24 11.568 -7.960 -5.519 1.00 0.00 C ATOM 371 O LEU A 24 10.638 -7.205 -5.247 1.00 0.00 O ATOM 372 CB LEU A 24 13.716 -6.936 -6.330 1.00 0.00 C ATOM 373 CG LEU A 24 15.019 -6.266 -5.883 1.00 0.00 C ATOM 374 CD1 LEU A 24 15.828 -5.862 -7.115 1.00 0.00 C ATOM 375 CD2 LEU A 24 14.732 -5.018 -5.054 1.00 0.00 C ATOM 0 H LEU A 24 14.395 -9.113 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 24 12.952 -6.856 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.933 -7.695 -7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.066 -6.198 -6.800 1.00 0.00 H new ATOM 0 HG LEU A 24 15.579 -6.975 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.756 -5.385 -6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 24 16.058 -6.749 -7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.248 -5.164 -7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.673 -4.560 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.160 -4.308 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.158 -5.293 -4.169 1.00 0.00 H new ATOM 387 N GLU A 25 11.386 -9.126 -6.140 1.00 0.00 N ATOM 388 CA GLU A 25 10.077 -9.553 -6.605 1.00 0.00 C ATOM 389 C GLU A 25 9.147 -9.875 -5.435 1.00 0.00 C ATOM 390 O GLU A 25 7.946 -9.618 -5.514 1.00 0.00 O ATOM 391 CB GLU A 25 10.268 -10.770 -7.511 1.00 0.00 C ATOM 392 CG GLU A 25 8.939 -11.427 -7.906 1.00 0.00 C ATOM 393 CD GLU A 25 8.074 -10.532 -8.797 1.00 0.00 C ATOM 394 OE1 GLU A 25 8.554 -9.441 -9.176 1.00 0.00 O ATOM 395 OE2 GLU A 25 6.932 -10.954 -9.093 1.00 0.00 O ATOM 0 H GLU A 25 12.136 -9.790 -6.331 1.00 0.00 H new ATOM 0 HA GLU A 25 9.604 -8.745 -7.164 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.801 -10.467 -8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.894 -11.503 -7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.143 -12.362 -8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.382 -11.680 -7.004 1.00 0.00 H new ATOM 402 N VAL A 26 9.686 -10.437 -4.347 1.00 0.00 N ATOM 403 CA VAL A 26 8.877 -10.783 -3.182 1.00 0.00 C ATOM 404 C VAL A 26 8.526 -9.548 -2.354 1.00 0.00 C ATOM 405 O VAL A 26 7.527 -9.541 -1.638 1.00 0.00 O ATOM 406 CB VAL A 26 9.587 -11.861 -2.355 1.00 0.00 C ATOM 407 CG1 VAL A 26 10.785 -11.281 -1.606 1.00 0.00 C ATOM 408 CG2 VAL A 26 8.617 -12.474 -1.344 1.00 0.00 C ATOM 0 H VAL A 26 10.677 -10.660 -4.253 1.00 0.00 H new ATOM 0 HA VAL A 26 7.928 -11.195 -3.524 1.00 0.00 H new ATOM 0 HB VAL A 26 9.939 -12.629 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.269 -12.068 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.496 -10.867 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.447 -10.493 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.132 -13.238 -0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.249 -11.696 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.777 -12.925 -1.873 1.00 0.00 H new ATOM 418 N LEU A 27 9.348 -8.495 -2.453 1.00 0.00 N ATOM 419 CA LEU A 27 9.063 -7.211 -1.826 1.00 0.00 C ATOM 420 C LEU A 27 8.135 -6.371 -2.712 1.00 0.00 C ATOM 421 O LEU A 27 7.980 -5.174 -2.478 1.00 0.00 O ATOM 422 CB LEU A 27 10.371 -6.462 -1.549 1.00 0.00 C ATOM 423 CG LEU A 27 11.208 -7.141 -0.459 1.00 0.00 C ATOM 424 CD1 LEU A 27 12.535 -6.395 -0.329 1.00 0.00 C ATOM 425 CD2 LEU A 27 10.489 -7.097 0.887 1.00 0.00 C ATOM 0 H LEU A 27 10.227 -8.516 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 27 8.554 -7.389 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.954 -6.401 -2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.145 -5.439 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 27 11.369 -8.183 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.143 -6.866 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.066 -6.429 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.344 -5.357 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.103 -7.585 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.316 -6.060 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.533 -7.615 0.806 1.00 0.00 H new ATOM 437 N ASP A 28 7.527 -6.995 -3.726 1.00 0.00 N ATOM 438 CA ASP A 28 6.677 -6.308 -4.690 1.00 0.00 C ATOM 439 C ASP A 28 7.397 -5.191 -5.452 1.00 0.00 C ATOM 440 O ASP A 28 6.759 -4.271 -5.966 1.00 0.00 O ATOM 441 CB ASP A 28 5.366 -5.846 -4.039 1.00 0.00 C ATOM 442 CG ASP A 28 4.454 -7.015 -3.669 1.00 0.00 C ATOM 443 OD1 ASP A 28 4.815 -8.169 -3.987 1.00 0.00 O ATOM 444 OD2 ASP A 28 3.393 -6.739 -3.062 1.00 0.00 O ATOM 0 H ASP A 28 7.614 -7.997 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 28 6.417 -7.037 -5.457 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.593 -5.268 -3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.839 -5.180 -4.723 1.00 0.00 H new ATOM 449 N LYS A 29 8.730 -5.272 -5.524 1.00 0.00 N ATOM 450 CA LYS A 29 9.551 -4.320 -6.265 1.00 0.00 C ATOM 451 C LYS A 29 9.846 -4.898 -7.648 1.00 0.00 C ATOM 452 O LYS A 29 9.344 -5.970 -7.991 1.00 0.00 O ATOM 453 CB LYS A 29 10.852 -4.040 -5.502 1.00 0.00 C ATOM 454 CG LYS A 29 10.604 -3.711 -4.025 1.00 0.00 C ATOM 455 CD LYS A 29 9.679 -2.503 -3.873 1.00 0.00 C ATOM 456 CE LYS A 29 9.481 -2.181 -2.394 1.00 0.00 C ATOM 457 NZ LYS A 29 8.590 -1.019 -2.227 1.00 0.00 N ATOM 0 H LYS A 29 9.269 -6.006 -5.065 1.00 0.00 H new ATOM 0 HA LYS A 29 9.018 -3.376 -6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.506 -4.909 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.375 -3.208 -5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.163 -4.574 -3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.554 -3.509 -3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.105 -1.641 -4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.717 -2.710 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.058 -3.046 -1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.445 -1.975 -1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.753 -0.588 -1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.788 -0.320 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.599 -1.328 -2.297 1.00 0.00 H new ATOM 471 N THR A 30 10.657 -4.198 -8.442 1.00 0.00 N ATOM 472 CA THR A 30 10.975 -4.626 -9.797 1.00 0.00 C ATOM 473 C THR A 30 12.456 -4.519 -10.152 1.00 0.00 C ATOM 474 O THR A 30 13.009 -3.420 -10.154 1.00 0.00 O ATOM 475 CB THR A 30 10.101 -3.884 -10.818 1.00 0.00 C ATOM 476 OG1 THR A 30 8.811 -3.659 -10.289 1.00 0.00 O ATOM 477 CG2 THR A 30 9.995 -4.695 -12.110 1.00 0.00 C ATOM 0 H THR A 30 11.107 -3.326 -8.163 1.00 0.00 H new ATOM 0 HA THR A 30 10.746 -5.691 -9.838 1.00 0.00 H new ATOM 0 HB THR A 30 10.566 -2.923 -11.037 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.265 -3.184 -10.950 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.373 -4.159 -12.826 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.990 -4.840 -12.531 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.547 -5.665 -11.895 1.00 0.00 H new ATOM 485 N PRO A 31 13.113 -5.651 -10.450 1.00 0.00 N ATOM 486 CA PRO A 31 14.457 -5.669 -10.991 1.00 0.00 C ATOM 487 C PRO A 31 14.401 -5.260 -12.460 1.00 0.00 C ATOM 488 O PRO A 31 14.272 -6.110 -13.342 1.00 0.00 O ATOM 489 CB PRO A 31 14.937 -7.109 -10.820 1.00 0.00 C ATOM 490 CG PRO A 31 13.649 -7.935 -10.866 1.00 0.00 C ATOM 491 CD PRO A 31 12.587 -6.994 -10.297 1.00 0.00 C ATOM 0 HA PRO A 31 15.136 -4.977 -10.492 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.625 -7.398 -11.615 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.465 -7.245 -9.876 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.407 -8.241 -11.884 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.736 -8.845 -10.272 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.643 -7.105 -10.830 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.390 -7.218 -9.249 1.00 0.00 H new ATOM 499 N VAL A 32 14.491 -3.958 -12.729 1.00 0.00 N ATOM 500 CA VAL A 32 14.332 -3.427 -14.081 1.00 0.00 C ATOM 501 C VAL A 32 15.539 -3.729 -14.964 1.00 0.00 C ATOM 502 O VAL A 32 15.515 -3.433 -16.160 1.00 0.00 O ATOM 503 CB VAL A 32 14.051 -1.923 -14.032 1.00 0.00 C ATOM 504 CG1 VAL A 32 12.869 -1.633 -13.108 1.00 0.00 C ATOM 505 CG2 VAL A 32 15.270 -1.147 -13.535 1.00 0.00 C ATOM 0 H VAL A 32 14.675 -3.247 -12.021 1.00 0.00 H new ATOM 0 HA VAL A 32 13.477 -3.930 -14.533 1.00 0.00 H new ATOM 0 HB VAL A 32 13.816 -1.601 -15.047 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.681 -0.560 -13.083 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.983 -2.148 -13.478 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.099 -1.984 -12.102 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.039 -0.082 -13.512 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.531 -1.484 -12.532 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.111 -1.321 -14.207 1.00 0.00 H new ATOM 515 N GLY A 33 16.599 -4.315 -14.401 1.00 0.00 N ATOM 516 CA GLY A 33 17.750 -4.724 -15.190 1.00 0.00 C ATOM 517 C GLY A 33 18.989 -4.933 -14.331 1.00 0.00 C ATOM 518 O GLY A 33 19.035 -4.511 -13.174 1.00 0.00 O ATOM 0 H GLY A 33 16.678 -4.514 -13.404 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.516 -5.648 -15.719 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.958 -3.967 -15.947 1.00 0.00 H new ATOM 522 N THR A 34 19.992 -5.590 -14.913 1.00 0.00 N ATOM 523 CA THR A 34 21.277 -5.826 -14.277 1.00 0.00 C ATOM 524 C THR A 34 22.388 -5.719 -15.312 1.00 0.00 C ATOM 525 O THR A 34 22.228 -6.175 -16.444 1.00 0.00 O ATOM 526 CB THR A 34 21.295 -7.191 -13.585 1.00 0.00 C ATOM 527 OG1 THR A 34 20.204 -7.301 -12.696 1.00 0.00 O ATOM 528 CG2 THR A 34 22.596 -7.385 -12.808 1.00 0.00 C ATOM 0 H THR A 34 19.928 -5.977 -15.854 1.00 0.00 H new ATOM 0 HA THR A 34 21.441 -5.068 -13.511 1.00 0.00 H new ATOM 0 HB THR A 34 21.220 -7.960 -14.354 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.224 -8.178 -12.260 1.00 0.00 H new ATOM 0 HG21 THR A 34 22.588 -8.361 -12.324 1.00 0.00 H new ATOM 0 HG22 THR A 34 23.441 -7.327 -13.494 1.00 0.00 H new ATOM 0 HG23 THR A 34 22.688 -6.606 -12.052 1.00 0.00 H new ATOM 536 N VAL A 35 23.513 -5.117 -14.925 1.00 0.00 N ATOM 537 CA VAL A 35 24.649 -4.934 -15.823 1.00 0.00 C ATOM 538 C VAL A 35 25.960 -5.337 -15.147 1.00 0.00 C ATOM 539 O VAL A 35 26.065 -5.297 -13.922 1.00 0.00 O ATOM 540 CB VAL A 35 24.689 -3.497 -16.360 1.00 0.00 C ATOM 541 CG1 VAL A 35 23.313 -3.055 -16.873 1.00 0.00 C ATOM 542 CG2 VAL A 35 25.113 -2.536 -15.258 1.00 0.00 C ATOM 0 H VAL A 35 23.660 -4.746 -13.987 1.00 0.00 H new ATOM 0 HA VAL A 35 24.522 -5.597 -16.679 1.00 0.00 H new ATOM 0 HB VAL A 35 25.405 -3.478 -17.181 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.375 -2.033 -17.247 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.995 -3.717 -17.678 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.589 -3.101 -16.059 1.00 0.00 H new ATOM 0 HG21 VAL A 35 25.138 -1.520 -15.651 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.401 -2.589 -14.435 1.00 0.00 H new ATOM 0 HG23 VAL A 35 26.105 -2.810 -14.898 1.00 0.00 H new ATOM 552 N ASP A 36 26.953 -5.722 -15.951 1.00 0.00 N ATOM 553 CA ASP A 36 28.246 -6.177 -15.454 1.00 0.00 C ATOM 554 C ASP A 36 29.393 -5.212 -15.763 1.00 0.00 C ATOM 555 O ASP A 36 30.547 -5.498 -15.445 1.00 0.00 O ATOM 556 CB ASP A 36 28.542 -7.602 -15.941 1.00 0.00 C ATOM 557 CG ASP A 36 28.347 -7.781 -17.447 1.00 0.00 C ATOM 558 OD1 ASP A 36 28.478 -8.940 -17.899 1.00 0.00 O ATOM 559 OD2 ASP A 36 28.070 -6.773 -18.135 1.00 0.00 O ATOM 0 H ASP A 36 26.879 -5.726 -16.968 1.00 0.00 H new ATOM 0 HA ASP A 36 28.176 -6.195 -14.366 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.569 -7.861 -15.682 1.00 0.00 H new ATOM 0 HB3 ASP A 36 27.894 -8.301 -15.412 1.00 0.00 H new ATOM 564 N THR A 37 29.074 -4.068 -16.375 1.00 0.00 N ATOM 565 CA THR A 37 30.034 -3.003 -16.627 1.00 0.00 C ATOM 566 C THR A 37 29.486 -1.645 -16.213 1.00 0.00 C ATOM 567 O THR A 37 28.278 -1.419 -16.261 1.00 0.00 O ATOM 568 CB THR A 37 30.530 -2.999 -18.073 1.00 0.00 C ATOM 569 OG1 THR A 37 29.599 -2.328 -18.897 1.00 0.00 O ATOM 570 CG2 THR A 37 30.750 -4.417 -18.605 1.00 0.00 C ATOM 0 H THR A 37 28.134 -3.859 -16.710 1.00 0.00 H new ATOM 0 HA THR A 37 30.903 -3.207 -16.001 1.00 0.00 H new ATOM 0 HB THR A 37 31.489 -2.480 -18.090 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.922 -2.327 -19.822 1.00 0.00 H new ATOM 0 HG21 THR A 37 31.102 -4.368 -19.635 1.00 0.00 H new ATOM 0 HG22 THR A 37 31.494 -4.925 -17.991 1.00 0.00 H new ATOM 0 HG23 THR A 37 29.811 -4.969 -18.568 1.00 0.00 H new ATOM 578 N VAL A 38 30.368 -0.729 -15.803 1.00 0.00 N ATOM 579 CA VAL A 38 29.923 0.560 -15.304 1.00 0.00 C ATOM 580 C VAL A 38 29.482 1.505 -16.414 1.00 0.00 C ATOM 581 O VAL A 38 28.685 2.407 -16.173 1.00 0.00 O ATOM 582 CB VAL A 38 30.962 1.176 -14.366 1.00 0.00 C ATOM 583 CG1 VAL A 38 32.090 1.890 -15.110 1.00 0.00 C ATOM 584 CG2 VAL A 38 30.259 2.197 -13.483 1.00 0.00 C ATOM 0 H VAL A 38 31.380 -0.860 -15.809 1.00 0.00 H new ATOM 0 HA VAL A 38 29.025 0.385 -14.712 1.00 0.00 H new ATOM 0 HB VAL A 38 31.407 0.364 -13.792 1.00 0.00 H new ATOM 0 HG11 VAL A 38 32.795 2.306 -14.390 1.00 0.00 H new ATOM 0 HG12 VAL A 38 32.607 1.180 -15.755 1.00 0.00 H new ATOM 0 HG13 VAL A 38 31.674 2.695 -15.716 1.00 0.00 H new ATOM 0 HG21 VAL A 38 30.982 2.650 -12.804 1.00 0.00 H new ATOM 0 HG22 VAL A 38 29.812 2.971 -14.107 1.00 0.00 H new ATOM 0 HG23 VAL A 38 29.479 1.702 -12.904 1.00 0.00 H new ATOM 594 N ALA A 39 29.990 1.302 -17.632 1.00 0.00 N ATOM 595 CA ALA A 39 29.528 2.065 -18.776 1.00 0.00 C ATOM 596 C ALA A 39 28.097 1.652 -19.124 1.00 0.00 C ATOM 597 O ALA A 39 27.345 2.446 -19.690 1.00 0.00 O ATOM 598 CB ALA A 39 30.474 1.825 -19.951 1.00 0.00 C ATOM 0 H ALA A 39 30.717 0.618 -17.843 1.00 0.00 H new ATOM 0 HA ALA A 39 29.526 3.130 -18.543 1.00 0.00 H new ATOM 0 HB1 ALA A 39 30.133 2.395 -20.815 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.480 2.144 -19.679 1.00 0.00 H new ATOM 0 HB3 ALA A 39 30.485 0.764 -20.198 1.00 0.00 H new ATOM 604 N GLY A 40 27.724 0.415 -18.783 1.00 0.00 N ATOM 605 CA GLY A 40 26.363 -0.067 -18.961 1.00 0.00 C ATOM 606 C GLY A 40 25.474 0.426 -17.822 1.00 0.00 C ATOM 607 O GLY A 40 24.274 0.619 -18.008 1.00 0.00 O ATOM 0 H GLY A 40 28.359 -0.273 -18.378 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.969 0.281 -19.916 1.00 0.00 H new ATOM 0 HA3 GLY A 40 26.357 -1.157 -18.991 1.00 0.00 H new ATOM 611 N ALA A 41 26.060 0.632 -16.639 1.00 0.00 N ATOM 612 CA ALA A 41 25.326 1.126 -15.484 1.00 0.00 C ATOM 613 C ALA A 41 25.051 2.622 -15.634 1.00 0.00 C ATOM 614 O ALA A 41 24.000 3.106 -15.219 1.00 0.00 O ATOM 615 CB ALA A 41 26.146 0.846 -14.224 1.00 0.00 C ATOM 0 H ALA A 41 27.050 0.461 -16.462 1.00 0.00 H new ATOM 0 HA ALA A 41 24.365 0.617 -15.408 1.00 0.00 H new ATOM 0 HB1 ALA A 41 25.607 1.212 -13.350 1.00 0.00 H new ATOM 0 HB2 ALA A 41 26.309 -0.227 -14.127 1.00 0.00 H new ATOM 0 HB3 ALA A 41 27.108 1.354 -14.295 1.00 0.00 H new ATOM 621 N LEU A 42 26.000 3.353 -16.228 1.00 0.00 N ATOM 622 CA LEU A 42 25.830 4.770 -16.512 1.00 0.00 C ATOM 623 C LEU A 42 24.799 4.955 -17.623 1.00 0.00 C ATOM 624 O LEU A 42 24.065 5.940 -17.632 1.00 0.00 O ATOM 625 CB LEU A 42 27.177 5.359 -16.940 1.00 0.00 C ATOM 626 CG LEU A 42 28.090 5.597 -15.736 1.00 0.00 C ATOM 627 CD1 LEU A 42 29.515 5.847 -16.225 1.00 0.00 C ATOM 628 CD2 LEU A 42 27.623 6.821 -14.947 1.00 0.00 C ATOM 0 H LEU A 42 26.901 2.976 -16.522 1.00 0.00 H new ATOM 0 HA LEU A 42 25.476 5.285 -15.619 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.666 4.682 -17.641 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.014 6.299 -17.466 1.00 0.00 H new ATOM 0 HG LEU A 42 28.056 4.718 -15.093 1.00 0.00 H new ATOM 0 HD11 LEU A 42 30.169 6.017 -15.369 1.00 0.00 H new ATOM 0 HD12 LEU A 42 29.866 4.979 -16.783 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.529 6.724 -16.872 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.283 6.977 -14.093 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.648 7.700 -15.591 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.605 6.659 -14.594 1.00 0.00 H new ATOM 640 N ALA A 43 24.742 4.006 -18.564 1.00 0.00 N ATOM 641 CA ALA A 43 23.787 4.061 -19.658 1.00 0.00 C ATOM 642 C ALA A 43 22.384 3.699 -19.171 1.00 0.00 C ATOM 643 O ALA A 43 21.391 4.164 -19.732 1.00 0.00 O ATOM 644 CB ALA A 43 24.247 3.103 -20.755 1.00 0.00 C ATOM 0 H ALA A 43 25.353 3.189 -18.583 1.00 0.00 H new ATOM 0 HA ALA A 43 23.741 5.075 -20.055 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.540 3.133 -21.584 1.00 0.00 H new ATOM 0 HB2 ALA A 43 25.234 3.402 -21.109 1.00 0.00 H new ATOM 0 HB3 ALA A 43 24.296 2.090 -20.356 1.00 0.00 H new ATOM 650 N ARG A 44 22.293 2.868 -18.123 1.00 0.00 N ATOM 651 CA ARG A 44 21.014 2.458 -17.561 1.00 0.00 C ATOM 652 C ARG A 44 20.398 3.554 -16.696 1.00 0.00 C ATOM 653 O ARG A 44 19.208 3.837 -16.824 1.00 0.00 O ATOM 654 CB ARG A 44 21.201 1.173 -16.751 1.00 0.00 C ATOM 655 CG ARG A 44 21.097 -0.075 -17.630 1.00 0.00 C ATOM 656 CD ARG A 44 19.677 -0.217 -18.178 1.00 0.00 C ATOM 657 NE ARG A 44 19.465 -1.549 -18.761 1.00 0.00 N ATOM 658 CZ ARG A 44 18.420 -2.334 -18.479 1.00 0.00 C ATOM 659 NH1 ARG A 44 17.474 -1.930 -17.637 1.00 0.00 N ATOM 660 NH2 ARG A 44 18.319 -3.532 -19.047 1.00 0.00 N ATOM 0 H ARG A 44 23.103 2.468 -17.649 1.00 0.00 H new ATOM 0 HA ARG A 44 20.323 2.273 -18.383 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.174 1.191 -16.260 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.448 1.127 -15.964 1.00 0.00 H new ATOM 0 HG2 ARG A 44 21.808 -0.009 -18.454 1.00 0.00 H new ATOM 0 HG3 ARG A 44 21.361 -0.960 -17.051 1.00 0.00 H new ATOM 0 HD2 ARG A 44 18.957 -0.048 -17.378 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.498 0.547 -18.934 1.00 0.00 H new ATOM 0 HE ARG A 44 20.159 -1.897 -19.423 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.540 -1.012 -17.198 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.682 -2.538 -17.430 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.038 -3.851 -19.697 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.523 -4.132 -18.833 1.00 0.00 H new ATOM 674 N VAL A 45 21.195 4.172 -15.818 1.00 0.00 N ATOM 675 CA VAL A 45 20.673 5.206 -14.926 1.00 0.00 C ATOM 676 C VAL A 45 20.380 6.505 -15.675 1.00 0.00 C ATOM 677 O VAL A 45 19.564 7.305 -15.224 1.00 0.00 O ATOM 678 CB VAL A 45 21.616 5.412 -13.735 1.00 0.00 C ATOM 679 CG1 VAL A 45 22.881 6.165 -14.132 1.00 0.00 C ATOM 680 CG2 VAL A 45 20.911 6.207 -12.642 1.00 0.00 C ATOM 0 H VAL A 45 22.190 3.976 -15.708 1.00 0.00 H new ATOM 0 HA VAL A 45 19.716 4.866 -14.529 1.00 0.00 H new ATOM 0 HB VAL A 45 21.895 4.422 -13.375 1.00 0.00 H new ATOM 0 HG11 VAL A 45 23.520 6.289 -13.258 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.416 5.600 -14.896 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.612 7.145 -14.527 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.589 6.348 -11.800 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.612 7.179 -13.034 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.027 5.663 -12.309 1.00 0.00 H new ATOM 690 N GLU A 46 21.032 6.715 -16.821 1.00 0.00 N ATOM 691 CA GLU A 46 20.795 7.890 -17.641 1.00 0.00 C ATOM 692 C GLU A 46 19.464 7.774 -18.391 1.00 0.00 C ATOM 693 O GLU A 46 18.887 8.784 -18.793 1.00 0.00 O ATOM 694 CB GLU A 46 21.975 8.057 -18.607 1.00 0.00 C ATOM 695 CG GLU A 46 21.760 9.172 -19.636 1.00 0.00 C ATOM 696 CD GLU A 46 21.604 10.553 -18.999 1.00 0.00 C ATOM 697 OE1 GLU A 46 21.365 11.508 -19.771 1.00 0.00 O ATOM 698 OE2 GLU A 46 21.722 10.650 -17.756 1.00 0.00 O ATOM 0 H GLU A 46 21.732 6.077 -17.198 1.00 0.00 H new ATOM 0 HA GLU A 46 20.722 8.775 -17.009 1.00 0.00 H new ATOM 0 HB2 GLU A 46 22.878 8.269 -18.034 1.00 0.00 H new ATOM 0 HB3 GLU A 46 22.144 7.116 -19.131 1.00 0.00 H new ATOM 0 HG2 GLU A 46 22.604 9.190 -20.326 1.00 0.00 H new ATOM 0 HG3 GLU A 46 20.871 8.948 -20.226 1.00 0.00 H new ATOM 705 N ASP A 47 18.967 6.546 -18.577 1.00 0.00 N ATOM 706 CA ASP A 47 17.697 6.318 -19.255 1.00 0.00 C ATOM 707 C ASP A 47 16.553 6.733 -18.323 1.00 0.00 C ATOM 708 O ASP A 47 15.419 6.918 -18.766 1.00 0.00 O ATOM 709 CB ASP A 47 17.593 4.830 -19.601 1.00 0.00 C ATOM 710 CG ASP A 47 16.421 4.536 -20.536 1.00 0.00 C ATOM 711 OD1 ASP A 47 15.964 5.483 -21.219 1.00 0.00 O ATOM 712 OD2 ASP A 47 15.991 3.359 -20.565 1.00 0.00 O ATOM 0 H ASP A 47 19.432 5.694 -18.264 1.00 0.00 H new ATOM 0 HA ASP A 47 17.635 6.906 -20.170 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.521 4.502 -20.070 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.478 4.253 -18.684 1.00 0.00 H new ATOM 717 N GLY A 48 16.849 6.881 -17.026 1.00 0.00 N ATOM 718 CA GLY A 48 15.873 7.311 -16.040 1.00 0.00 C ATOM 719 C GLY A 48 14.862 6.210 -15.734 1.00 0.00 C ATOM 720 O GLY A 48 15.026 5.064 -16.152 1.00 0.00 O ATOM 0 H GLY A 48 17.776 6.704 -16.639 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.385 7.601 -15.123 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.350 8.195 -16.406 1.00 0.00 H new ATOM 724 N GLY A 49 13.808 6.570 -14.996 1.00 0.00 N ATOM 725 CA GLY A 49 12.756 5.636 -14.614 1.00 0.00 C ATOM 726 C GLY A 49 13.190 4.736 -13.456 1.00 0.00 C ATOM 727 O GLY A 49 12.390 3.953 -12.955 1.00 0.00 O ATOM 0 H GLY A 49 13.664 7.518 -14.649 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.863 6.191 -14.328 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.487 5.020 -15.472 1.00 0.00 H new ATOM 731 N ILE A 50 14.452 4.848 -13.033 1.00 0.00 N ATOM 732 CA ILE A 50 14.989 4.069 -11.923 1.00 0.00 C ATOM 733 C ILE A 50 14.987 4.926 -10.658 1.00 0.00 C ATOM 734 O ILE A 50 15.294 6.116 -10.721 1.00 0.00 O ATOM 735 CB ILE A 50 16.404 3.589 -12.271 1.00 0.00 C ATOM 736 CG1 ILE A 50 16.367 2.675 -13.498 1.00 0.00 C ATOM 737 CG2 ILE A 50 17.019 2.837 -11.092 1.00 0.00 C ATOM 738 CD1 ILE A 50 17.738 2.608 -14.165 1.00 0.00 C ATOM 0 H ILE A 50 15.129 5.484 -13.454 1.00 0.00 H new ATOM 0 HA ILE A 50 14.368 3.191 -11.743 1.00 0.00 H new ATOM 0 HB ILE A 50 17.016 4.463 -12.493 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.052 1.674 -13.202 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.629 3.044 -14.210 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.023 2.504 -11.357 1.00 0.00 H new ATOM 0 HG22 ILE A 50 17.072 3.498 -10.227 1.00 0.00 H new ATOM 0 HG23 ILE A 50 16.401 1.972 -10.850 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.688 1.953 -15.035 1.00 0.00 H new ATOM 0 HD12 ILE A 50 18.038 3.607 -14.480 1.00 0.00 H new ATOM 0 HD13 ILE A 50 18.468 2.216 -13.457 1.00 0.00 H new ATOM 750 N ASP A 51 14.641 4.324 -9.518 1.00 0.00 N ATOM 751 CA ASP A 51 14.543 5.048 -8.259 1.00 0.00 C ATOM 752 C ASP A 51 15.646 4.712 -7.253 1.00 0.00 C ATOM 753 O ASP A 51 15.815 5.431 -6.273 1.00 0.00 O ATOM 754 CB ASP A 51 13.150 4.867 -7.652 1.00 0.00 C ATOM 755 CG ASP A 51 12.078 5.672 -8.388 1.00 0.00 C ATOM 756 OD1 ASP A 51 10.914 5.602 -7.934 1.00 0.00 O ATOM 757 OD2 ASP A 51 12.423 6.345 -9.385 1.00 0.00 O ATOM 0 H ASP A 51 14.424 3.330 -9.446 1.00 0.00 H new ATOM 0 HA ASP A 51 14.697 6.100 -8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.883 3.810 -7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.172 5.170 -6.605 1.00 0.00 H new ATOM 762 N ALA A 52 16.397 3.630 -7.484 1.00 0.00 N ATOM 763 CA ALA A 52 17.545 3.267 -6.658 1.00 0.00 C ATOM 764 C ALA A 52 18.436 2.286 -7.426 1.00 0.00 C ATOM 765 O ALA A 52 18.030 1.761 -8.460 1.00 0.00 O ATOM 766 CB ALA A 52 17.059 2.643 -5.347 1.00 0.00 C ATOM 0 H ALA A 52 16.222 2.982 -8.252 1.00 0.00 H new ATOM 0 HA ALA A 52 18.127 4.158 -6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.918 2.373 -4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.440 3.361 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.473 1.750 -5.564 1.00 0.00 H new ATOM 772 N ALA A 53 19.650 2.030 -6.924 1.00 0.00 N ATOM 773 CA ALA A 53 20.554 1.099 -7.577 1.00 0.00 C ATOM 774 C ALA A 53 21.485 0.420 -6.570 1.00 0.00 C ATOM 775 O ALA A 53 21.561 0.824 -5.409 1.00 0.00 O ATOM 776 CB ALA A 53 21.360 1.835 -8.648 1.00 0.00 C ATOM 0 H ALA A 53 20.019 2.455 -6.074 1.00 0.00 H new ATOM 0 HA ALA A 53 19.961 0.315 -8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 53 22.038 1.136 -9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.681 2.259 -9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 53 21.937 2.635 -8.184 1.00 0.00 H new ATOM 782 N ILE A 54 22.194 -0.617 -7.029 1.00 0.00 N ATOM 783 CA ILE A 54 23.154 -1.357 -6.215 1.00 0.00 C ATOM 784 C ILE A 54 24.463 -1.498 -6.991 1.00 0.00 C ATOM 785 O ILE A 54 24.434 -1.666 -8.207 1.00 0.00 O ATOM 786 CB ILE A 54 22.576 -2.724 -5.815 1.00 0.00 C ATOM 787 CG1 ILE A 54 21.139 -2.567 -5.291 1.00 0.00 C ATOM 788 CG2 ILE A 54 23.474 -3.367 -4.753 1.00 0.00 C ATOM 789 CD1 ILE A 54 20.562 -3.900 -4.814 1.00 0.00 C ATOM 0 H ILE A 54 22.114 -0.966 -7.984 1.00 0.00 H new ATOM 0 HA ILE A 54 23.357 -0.813 -5.292 1.00 0.00 H new ATOM 0 HB ILE A 54 22.545 -3.372 -6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 54 21.128 -1.851 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.507 -2.158 -6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 54 23.065 -4.336 -4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.477 -3.501 -5.158 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.520 -2.721 -3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.546 -3.747 -4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.549 -4.608 -5.642 1.00 0.00 H new ATOM 0 HD13 ILE A 54 21.179 -4.296 -4.008 1.00 0.00 H new ATOM 801 N LEU A 55 25.608 -1.429 -6.300 1.00 0.00 N ATOM 802 CA LEU A 55 26.910 -1.383 -6.962 1.00 0.00 C ATOM 803 C LEU A 55 27.963 -2.222 -6.241 1.00 0.00 C ATOM 804 O LEU A 55 28.166 -2.067 -5.042 1.00 0.00 O ATOM 805 CB LEU A 55 27.356 0.079 -7.034 1.00 0.00 C ATOM 806 CG LEU A 55 28.684 0.239 -7.777 1.00 0.00 C ATOM 807 CD1 LEU A 55 28.542 -0.204 -9.233 1.00 0.00 C ATOM 808 CD2 LEU A 55 29.092 1.707 -7.740 1.00 0.00 C ATOM 0 H LEU A 55 25.655 -1.404 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 55 26.808 -1.809 -7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 55 26.588 0.668 -7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 55 27.456 0.477 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 55 29.440 -0.381 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.497 -0.083 -9.745 1.00 0.00 H new ATOM 0 HD12 LEU A 55 28.242 -1.251 -9.267 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.786 0.406 -9.727 1.00 0.00 H new ATOM 0 HD21 LEU A 55 30.038 1.835 -8.266 1.00 0.00 H new ATOM 0 HD22 LEU A 55 28.323 2.311 -8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 55 29.207 2.027 -6.704 1.00 0.00 H new ATOM 820 N ASP A 56 28.637 -3.111 -6.979 1.00 0.00 N ATOM 821 CA ASP A 56 29.703 -3.949 -6.438 1.00 0.00 C ATOM 822 C ASP A 56 31.000 -3.129 -6.399 1.00 0.00 C ATOM 823 O ASP A 56 31.170 -2.195 -7.180 1.00 0.00 O ATOM 824 CB ASP A 56 29.851 -5.166 -7.357 1.00 0.00 C ATOM 825 CG ASP A 56 30.667 -6.302 -6.737 1.00 0.00 C ATOM 826 OD1 ASP A 56 30.662 -7.396 -7.341 1.00 0.00 O ATOM 827 OD2 ASP A 56 31.281 -6.075 -5.672 1.00 0.00 O ATOM 0 H ASP A 56 28.455 -3.267 -7.970 1.00 0.00 H new ATOM 0 HA ASP A 56 29.477 -4.285 -5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 56 28.860 -5.540 -7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 56 30.326 -4.854 -8.287 1.00 0.00 H new ATOM 832 N VAL A 57 31.916 -3.474 -5.484 1.00 0.00 N ATOM 833 CA VAL A 57 33.189 -2.776 -5.338 1.00 0.00 C ATOM 834 C VAL A 57 34.051 -2.905 -6.593 1.00 0.00 C ATOM 835 O VAL A 57 34.892 -2.046 -6.863 1.00 0.00 O ATOM 836 CB VAL A 57 33.952 -3.295 -4.111 1.00 0.00 C ATOM 837 CG1 VAL A 57 35.091 -2.347 -3.748 1.00 0.00 C ATOM 838 CG2 VAL A 57 33.024 -3.430 -2.905 1.00 0.00 C ATOM 0 H VAL A 57 31.790 -4.245 -4.828 1.00 0.00 H new ATOM 0 HA VAL A 57 32.967 -1.718 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 57 34.355 -4.275 -4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 57 35.620 -2.731 -2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 57 35.782 -2.270 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 57 34.685 -1.361 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 57 33.590 -3.799 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 57 32.596 -2.457 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 57 32.222 -4.130 -3.139 1.00 0.00 H new ATOM 848 N ASN A 58 33.839 -3.979 -7.358 1.00 0.00 N ATOM 849 CA ASN A 58 34.560 -4.214 -8.598 1.00 0.00 C ATOM 850 C ASN A 58 33.708 -5.004 -9.585 1.00 0.00 C ATOM 851 O ASN A 58 32.932 -5.875 -9.184 1.00 0.00 O ATOM 852 CB ASN A 58 35.893 -4.927 -8.327 1.00 0.00 C ATOM 853 CG ASN A 58 35.794 -5.947 -7.198 1.00 0.00 C ATOM 854 OD1 ASN A 58 36.614 -5.939 -6.282 1.00 0.00 O ATOM 855 ND2 ASN A 58 34.798 -6.825 -7.252 1.00 0.00 N ATOM 0 H ASN A 58 33.161 -4.706 -7.130 1.00 0.00 H new ATOM 0 HA ASN A 58 34.780 -3.246 -9.049 1.00 0.00 H new ATOM 0 HB2 ASN A 58 36.224 -5.428 -9.237 1.00 0.00 H new ATOM 0 HB3 ASN A 58 36.653 -4.186 -8.077 1.00 0.00 H new ATOM 0 HD21 ASN A 58 34.694 -7.524 -6.517 1.00 0.00 H new ATOM 0 HD22 ASN A 58 34.137 -6.800 -8.029 1.00 0.00 H new ATOM 862 N LEU A 59 33.864 -4.695 -10.870 1.00 0.00 N ATOM 863 CA LEU A 59 33.112 -5.312 -11.953 1.00 0.00 C ATOM 864 C LEU A 59 34.051 -6.211 -12.758 1.00 0.00 C ATOM 865 O LEU A 59 35.168 -6.486 -12.321 1.00 0.00 O ATOM 866 CB LEU A 59 32.510 -4.191 -12.806 1.00 0.00 C ATOM 867 CG LEU A 59 31.122 -3.761 -12.306 1.00 0.00 C ATOM 868 CD1 LEU A 59 31.083 -3.560 -10.796 1.00 0.00 C ATOM 869 CD2 LEU A 59 30.756 -2.439 -12.969 1.00 0.00 C ATOM 0 H LEU A 59 34.531 -3.994 -11.191 1.00 0.00 H new ATOM 0 HA LEU A 59 32.300 -5.937 -11.580 1.00 0.00 H new ATOM 0 HB2 LEU A 59 33.180 -3.331 -12.797 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.434 -4.525 -13.841 1.00 0.00 H new ATOM 0 HG LEU A 59 30.419 -4.555 -12.560 1.00 0.00 H new ATOM 0 HD11 LEU A 59 30.080 -3.257 -10.495 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.345 -4.493 -10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.796 -2.786 -10.513 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.772 -2.119 -12.625 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.496 -1.683 -12.706 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.737 -2.568 -14.051 1.00 0.00 H new ATOM 881 N ARG A 60 33.602 -6.670 -13.932 1.00 0.00 N ATOM 882 CA ARG A 60 34.403 -7.541 -14.784 1.00 0.00 C ATOM 883 C ARG A 60 35.791 -6.953 -15.019 1.00 0.00 C ATOM 884 O ARG A 60 35.948 -5.740 -15.165 1.00 0.00 O ATOM 885 CB ARG A 60 33.679 -7.798 -16.105 1.00 0.00 C ATOM 886 CG ARG A 60 32.471 -8.702 -15.859 1.00 0.00 C ATOM 887 CD ARG A 60 31.658 -8.869 -17.138 1.00 0.00 C ATOM 888 NE ARG A 60 32.415 -9.578 -18.173 1.00 0.00 N ATOM 889 CZ ARG A 60 31.844 -10.252 -19.176 1.00 0.00 C ATOM 890 NH1 ARG A 60 30.520 -10.287 -19.304 1.00 0.00 N ATOM 891 NH2 ARG A 60 32.601 -10.894 -20.058 1.00 0.00 N ATOM 0 H ARG A 60 32.681 -6.448 -14.311 1.00 0.00 H new ATOM 0 HA ARG A 60 34.536 -8.496 -14.275 1.00 0.00 H new ATOM 0 HB2 ARG A 60 33.356 -6.854 -16.544 1.00 0.00 H new ATOM 0 HB3 ARG A 60 34.357 -8.266 -16.818 1.00 0.00 H new ATOM 0 HG2 ARG A 60 32.805 -9.677 -15.504 1.00 0.00 H new ATOM 0 HG3 ARG A 60 31.844 -8.276 -15.076 1.00 0.00 H new ATOM 0 HD2 ARG A 60 30.742 -9.417 -16.918 1.00 0.00 H new ATOM 0 HD3 ARG A 60 31.361 -7.889 -17.511 1.00 0.00 H new ATOM 0 HE ARG A 60 33.434 -9.556 -18.125 1.00 0.00 H new ATOM 0 HH11 ARG A 60 29.930 -9.796 -18.633 1.00 0.00 H new ATOM 0 HH12 ARG A 60 30.096 -10.805 -20.074 1.00 0.00 H new ATOM 0 HH21 ARG A 60 33.617 -10.872 -19.970 1.00 0.00 H new ATOM 0 HH22 ARG A 60 32.167 -11.409 -20.824 1.00 0.00 H new ATOM 905 N GLY A 61 36.802 -7.826 -15.053 1.00 0.00 N ATOM 906 CA GLY A 61 38.194 -7.415 -15.176 1.00 0.00 C ATOM 907 C GLY A 61 38.764 -6.967 -13.830 1.00 0.00 C ATOM 908 O GLY A 61 39.935 -6.599 -13.749 1.00 0.00 O ATOM 0 H GLY A 61 36.673 -8.836 -14.996 1.00 0.00 H new ATOM 0 HA2 GLY A 61 38.786 -8.243 -15.566 1.00 0.00 H new ATOM 0 HA3 GLY A 61 38.272 -6.600 -15.895 1.00 0.00 H new ATOM 912 N GLY A 62 37.945 -6.995 -12.774 1.00 0.00 N ATOM 913 CA GLY A 62 38.362 -6.616 -11.432 1.00 0.00 C ATOM 914 C GLY A 62 38.486 -5.099 -11.283 1.00 0.00 C ATOM 915 O GLY A 62 38.935 -4.620 -10.245 1.00 0.00 O ATOM 0 H GLY A 62 36.969 -7.284 -12.833 1.00 0.00 H new ATOM 0 HA2 GLY A 62 37.642 -6.995 -10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 62 39.320 -7.083 -11.203 1.00 0.00 H new ATOM 919 N GLU A 63 38.091 -4.342 -12.313 1.00 0.00 N ATOM 920 CA GLU A 63 38.193 -2.891 -12.295 1.00 0.00 C ATOM 921 C GLU A 63 37.180 -2.305 -11.315 1.00 0.00 C ATOM 922 O GLU A 63 36.020 -2.720 -11.283 1.00 0.00 O ATOM 923 CB GLU A 63 37.974 -2.356 -13.716 1.00 0.00 C ATOM 924 CG GLU A 63 38.123 -0.835 -13.794 1.00 0.00 C ATOM 925 CD GLU A 63 39.567 -0.363 -13.587 1.00 0.00 C ATOM 926 OE1 GLU A 63 40.440 -1.228 -13.350 1.00 0.00 O ATOM 927 OE2 GLU A 63 39.784 0.866 -13.669 1.00 0.00 O ATOM 0 H GLU A 63 37.695 -4.721 -13.173 1.00 0.00 H new ATOM 0 HA GLU A 63 39.186 -2.591 -11.959 1.00 0.00 H new ATOM 0 HB2 GLU A 63 38.690 -2.824 -14.392 1.00 0.00 H new ATOM 0 HB3 GLU A 63 36.979 -2.639 -14.059 1.00 0.00 H new ATOM 0 HG2 GLU A 63 37.770 -0.490 -14.766 1.00 0.00 H new ATOM 0 HG3 GLU A 63 37.484 -0.374 -13.041 1.00 0.00 H new ATOM 934 N LYS A 64 37.619 -1.332 -10.509 1.00 0.00 N ATOM 935 CA LYS A 64 36.763 -0.680 -9.523 1.00 0.00 C ATOM 936 C LYS A 64 35.789 0.273 -10.211 1.00 0.00 C ATOM 937 O LYS A 64 36.004 0.667 -11.358 1.00 0.00 O ATOM 938 CB LYS A 64 37.620 0.052 -8.481 1.00 0.00 C ATOM 939 CG LYS A 64 38.241 1.364 -8.987 1.00 0.00 C ATOM 940 CD LYS A 64 39.238 1.137 -10.129 1.00 0.00 C ATOM 941 CE LYS A 64 39.936 2.446 -10.491 1.00 0.00 C ATOM 942 NZ LYS A 64 40.746 2.952 -9.366 1.00 0.00 N ATOM 0 H LYS A 64 38.576 -0.978 -10.525 1.00 0.00 H new ATOM 0 HA LYS A 64 36.176 -1.438 -9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 64 37.005 0.267 -7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 64 38.419 -0.612 -8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 64 37.448 2.030 -9.328 1.00 0.00 H new ATOM 0 HG3 LYS A 64 38.746 1.866 -8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 64 39.977 0.393 -9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.718 0.741 -11.001 1.00 0.00 H new ATOM 0 HE2 LYS A 64 40.575 2.291 -11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 64 39.192 3.192 -10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 41.467 3.610 -9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 40.130 3.448 -8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 41.213 2.155 -8.888 1.00 0.00 H new ATOM 956 N SER A 65 34.715 0.651 -9.514 1.00 0.00 N ATOM 957 CA SER A 65 33.709 1.541 -10.071 1.00 0.00 C ATOM 958 C SER A 65 32.941 2.261 -8.968 1.00 0.00 C ATOM 959 O SER A 65 32.465 1.634 -8.021 1.00 0.00 O ATOM 960 CB SER A 65 32.744 0.735 -10.941 1.00 0.00 C ATOM 961 OG SER A 65 32.160 -0.302 -10.183 1.00 0.00 O ATOM 0 H SER A 65 34.524 0.350 -8.558 1.00 0.00 H new ATOM 0 HA SER A 65 34.210 2.295 -10.678 1.00 0.00 H new ATOM 0 HB2 SER A 65 31.967 1.388 -11.337 1.00 0.00 H new ATOM 0 HB3 SER A 65 33.275 0.317 -11.796 1.00 0.00 H new ATOM 0 HG SER A 65 32.087 -0.022 -9.247 1.00 0.00 H new ATOM 967 N THR A 66 32.819 3.587 -9.100 1.00 0.00 N ATOM 968 CA THR A 66 31.947 4.405 -8.263 1.00 0.00 C ATOM 969 C THR A 66 31.181 5.523 -8.994 1.00 0.00 C ATOM 970 O THR A 66 30.520 6.319 -8.325 1.00 0.00 O ATOM 971 CB THR A 66 32.705 4.984 -7.061 1.00 0.00 C ATOM 972 OG1 THR A 66 33.365 6.166 -7.454 1.00 0.00 O ATOM 973 CG2 THR A 66 33.729 4.019 -6.474 1.00 0.00 C ATOM 0 H THR A 66 33.331 4.124 -9.800 1.00 0.00 H new ATOM 0 HA THR A 66 31.183 3.706 -7.922 1.00 0.00 H new ATOM 0 HB THR A 66 31.965 5.181 -6.285 1.00 0.00 H new ATOM 0 HG1 THR A 66 33.849 6.540 -6.689 1.00 0.00 H new ATOM 0 HG21 THR A 66 34.229 4.490 -5.628 1.00 0.00 H new ATOM 0 HG22 THR A 66 33.225 3.113 -6.139 1.00 0.00 H new ATOM 0 HG23 THR A 66 34.466 3.763 -7.235 1.00 0.00 H new ATOM 981 N PRO A 67 31.234 5.637 -10.336 1.00 0.00 N ATOM 982 CA PRO A 67 30.683 6.793 -11.024 1.00 0.00 C ATOM 983 C PRO A 67 29.160 6.816 -10.911 1.00 0.00 C ATOM 984 O PRO A 67 28.557 7.885 -10.957 1.00 0.00 O ATOM 985 CB PRO A 67 31.121 6.648 -12.483 1.00 0.00 C ATOM 986 CG PRO A 67 31.286 5.144 -12.652 1.00 0.00 C ATOM 987 CD PRO A 67 31.790 4.697 -11.286 1.00 0.00 C ATOM 0 HA PRO A 67 31.038 7.728 -10.590 1.00 0.00 H new ATOM 0 HB2 PRO A 67 30.375 7.050 -13.169 1.00 0.00 H new ATOM 0 HB3 PRO A 67 32.053 7.179 -12.678 1.00 0.00 H new ATOM 0 HG2 PRO A 67 30.344 4.662 -12.912 1.00 0.00 H new ATOM 0 HG3 PRO A 67 31.996 4.903 -13.443 1.00 0.00 H new ATOM 0 HD2 PRO A 67 31.468 3.680 -11.064 1.00 0.00 H new ATOM 0 HD3 PRO A 67 32.879 4.702 -11.250 1.00 0.00 H new ATOM 995 N VAL A 68 28.529 5.645 -10.758 1.00 0.00 N ATOM 996 CA VAL A 68 27.081 5.573 -10.626 1.00 0.00 C ATOM 997 C VAL A 68 26.644 5.795 -9.184 1.00 0.00 C ATOM 998 O VAL A 68 25.546 6.281 -8.947 1.00 0.00 O ATOM 999 CB VAL A 68 26.548 4.242 -11.159 1.00 0.00 C ATOM 1000 CG1 VAL A 68 26.995 4.049 -12.606 1.00 0.00 C ATOM 1001 CG2 VAL A 68 27.021 3.061 -10.315 1.00 0.00 C ATOM 0 H VAL A 68 29.002 4.742 -10.723 1.00 0.00 H new ATOM 0 HA VAL A 68 26.654 6.375 -11.229 1.00 0.00 H new ATOM 0 HB VAL A 68 25.460 4.276 -11.106 1.00 0.00 H new ATOM 0 HG11 VAL A 68 26.613 3.100 -12.981 1.00 0.00 H new ATOM 0 HG12 VAL A 68 26.608 4.863 -13.218 1.00 0.00 H new ATOM 0 HG13 VAL A 68 28.084 4.046 -12.653 1.00 0.00 H new ATOM 0 HG21 VAL A 68 26.620 2.135 -10.728 1.00 0.00 H new ATOM 0 HG22 VAL A 68 28.110 3.021 -10.324 1.00 0.00 H new ATOM 0 HG23 VAL A 68 26.671 3.183 -9.290 1.00 0.00 H new ATOM 1011 N ALA A 69 27.485 5.452 -8.210 1.00 0.00 N ATOM 1012 CA ALA A 69 27.143 5.701 -6.820 1.00 0.00 C ATOM 1013 C ALA A 69 27.246 7.198 -6.537 1.00 0.00 C ATOM 1014 O ALA A 69 26.531 7.729 -5.692 1.00 0.00 O ATOM 1015 CB ALA A 69 28.080 4.898 -5.931 1.00 0.00 C ATOM 0 H ALA A 69 28.392 5.009 -8.358 1.00 0.00 H new ATOM 0 HA ALA A 69 26.120 5.388 -6.612 1.00 0.00 H new ATOM 0 HB1 ALA A 69 27.832 5.078 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.971 3.836 -6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.109 5.204 -6.117 1.00 0.00 H new ATOM 1021 N GLU A 70 28.146 7.879 -7.255 1.00 0.00 N ATOM 1022 CA GLU A 70 28.268 9.328 -7.175 1.00 0.00 C ATOM 1023 C GLU A 70 27.131 9.992 -7.949 1.00 0.00 C ATOM 1024 O GLU A 70 26.696 11.084 -7.596 1.00 0.00 O ATOM 1025 CB GLU A 70 29.626 9.750 -7.740 1.00 0.00 C ATOM 1026 CG GLU A 70 30.763 9.289 -6.817 1.00 0.00 C ATOM 1027 CD GLU A 70 30.809 10.081 -5.512 1.00 0.00 C ATOM 1028 OE1 GLU A 70 31.576 9.663 -4.619 1.00 0.00 O ATOM 1029 OE2 GLU A 70 30.082 11.096 -5.411 1.00 0.00 O ATOM 0 H GLU A 70 28.802 7.440 -7.901 1.00 0.00 H new ATOM 0 HA GLU A 70 28.202 9.646 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 70 29.761 9.323 -8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 70 29.658 10.834 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 70 30.638 8.230 -6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 70 31.715 9.394 -7.337 1.00 0.00 H new ATOM 1036 N ALA A 71 26.646 9.332 -9.008 1.00 0.00 N ATOM 1037 CA ALA A 71 25.537 9.847 -9.793 1.00 0.00 C ATOM 1038 C ALA A 71 24.215 9.654 -9.046 1.00 0.00 C ATOM 1039 O ALA A 71 23.314 10.475 -9.173 1.00 0.00 O ATOM 1040 CB ALA A 71 25.500 9.129 -11.140 1.00 0.00 C ATOM 0 H ALA A 71 27.011 8.438 -9.335 1.00 0.00 H new ATOM 0 HA ALA A 71 25.677 10.915 -9.957 1.00 0.00 H new ATOM 0 HB1 ALA A 71 24.670 9.511 -11.733 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.436 9.303 -11.671 1.00 0.00 H new ATOM 0 HB3 ALA A 71 25.368 8.059 -10.979 1.00 0.00 H new ATOM 1046 N LEU A 72 24.103 8.573 -8.269 1.00 0.00 N ATOM 1047 CA LEU A 72 22.908 8.314 -7.476 1.00 0.00 C ATOM 1048 C LEU A 72 22.817 9.357 -6.360 1.00 0.00 C ATOM 1049 O LEU A 72 21.719 9.755 -5.972 1.00 0.00 O ATOM 1050 CB LEU A 72 22.985 6.896 -6.890 1.00 0.00 C ATOM 1051 CG LEU A 72 22.506 5.792 -7.850 1.00 0.00 C ATOM 1052 CD1 LEU A 72 21.106 5.332 -7.447 1.00 0.00 C ATOM 1053 CD2 LEU A 72 22.453 6.204 -9.317 1.00 0.00 C ATOM 0 H LEU A 72 24.830 7.864 -8.175 1.00 0.00 H new ATOM 0 HA LEU A 72 22.016 8.384 -8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.016 6.689 -6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 72 22.385 6.857 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 72 23.247 4.997 -7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 72 20.770 4.551 -8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 72 21.130 4.941 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.418 6.176 -7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 72 22.105 5.364 -9.918 1.00 0.00 H new ATOM 0 HD22 LEU A 72 21.768 7.043 -9.435 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.449 6.499 -9.648 1.00 0.00 H new ATOM 1065 N ALA A 73 23.965 9.808 -5.842 1.00 0.00 N ATOM 1066 CA ALA A 73 23.992 10.830 -4.813 1.00 0.00 C ATOM 1067 C ALA A 73 23.644 12.200 -5.403 1.00 0.00 C ATOM 1068 O ALA A 73 23.091 13.053 -4.709 1.00 0.00 O ATOM 1069 CB ALA A 73 25.381 10.851 -4.174 1.00 0.00 C ATOM 0 H ALA A 73 24.886 9.474 -6.126 1.00 0.00 H new ATOM 0 HA ALA A 73 23.246 10.601 -4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 73 25.413 11.616 -3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 73 25.593 9.877 -3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.128 11.075 -4.935 1.00 0.00 H new ATOM 1075 N ALA A 74 23.964 12.418 -6.684 1.00 0.00 N ATOM 1076 CA ALA A 74 23.674 13.674 -7.359 1.00 0.00 C ATOM 1077 C ALA A 74 22.213 13.718 -7.812 1.00 0.00 C ATOM 1078 O ALA A 74 21.606 14.789 -7.862 1.00 0.00 O ATOM 1079 CB ALA A 74 24.608 13.811 -8.562 1.00 0.00 C ATOM 0 H ALA A 74 24.429 11.728 -7.274 1.00 0.00 H new ATOM 0 HA ALA A 74 23.835 14.503 -6.670 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.402 14.749 -9.078 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.643 13.804 -8.221 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.446 12.978 -9.245 1.00 0.00 H new ATOM 1085 N ARG A 75 21.651 12.552 -8.142 1.00 0.00 N ATOM 1086 CA ARG A 75 20.265 12.420 -8.573 1.00 0.00 C ATOM 1087 C ARG A 75 19.323 12.274 -7.381 1.00 0.00 C ATOM 1088 O ARG A 75 18.120 12.103 -7.561 1.00 0.00 O ATOM 1089 CB ARG A 75 20.149 11.223 -9.520 1.00 0.00 C ATOM 1090 CG ARG A 75 20.907 11.504 -10.821 1.00 0.00 C ATOM 1091 CD ARG A 75 21.041 10.220 -11.637 1.00 0.00 C ATOM 1092 NE ARG A 75 21.905 10.424 -12.805 1.00 0.00 N ATOM 1093 CZ ARG A 75 21.469 10.481 -14.067 1.00 0.00 C ATOM 1094 NH1 ARG A 75 20.172 10.377 -14.345 1.00 0.00 N ATOM 1095 NH2 ARG A 75 22.340 10.640 -15.056 1.00 0.00 N ATOM 0 H ARG A 75 22.155 11.666 -8.116 1.00 0.00 H new ATOM 0 HA ARG A 75 19.968 13.326 -9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.552 10.331 -9.041 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.100 11.022 -9.738 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.380 12.260 -11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.895 11.906 -10.596 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.452 9.429 -11.010 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.055 9.888 -11.963 1.00 0.00 H new ATOM 0 HE ARG A 75 22.906 10.529 -12.643 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.497 10.252 -13.590 1.00 0.00 H new ATOM 0 HH12 ARG A 75 19.853 10.422 -15.313 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.336 10.718 -14.851 1.00 0.00 H new ATOM 0 HH22 ARG A 75 22.013 10.684 -16.021 1.00 0.00 H new ATOM 1109 N ASP A 76 19.868 12.344 -6.165 1.00 0.00 N ATOM 1110 CA ASP A 76 19.096 12.240 -4.933 1.00 0.00 C ATOM 1111 C ASP A 76 18.261 10.956 -4.899 1.00 0.00 C ATOM 1112 O ASP A 76 17.072 10.980 -4.579 1.00 0.00 O ATOM 1113 CB ASP A 76 18.263 13.515 -4.733 1.00 0.00 C ATOM 1114 CG ASP A 76 17.457 13.495 -3.435 1.00 0.00 C ATOM 1115 OD1 ASP A 76 16.439 14.223 -3.384 1.00 0.00 O ATOM 1116 OD2 ASP A 76 17.859 12.756 -2.504 1.00 0.00 O ATOM 0 H ASP A 76 20.868 12.476 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 76 19.778 12.163 -4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.926 14.380 -4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.583 13.636 -5.576 1.00 0.00 H new ATOM 1121 N ILE A 77 18.891 9.827 -5.235 1.00 0.00 N ATOM 1122 CA ILE A 77 18.250 8.518 -5.172 1.00 0.00 C ATOM 1123 C ILE A 77 19.107 7.559 -4.335 1.00 0.00 C ATOM 1124 O ILE A 77 20.334 7.640 -4.384 1.00 0.00 O ATOM 1125 CB ILE A 77 17.999 7.957 -6.580 1.00 0.00 C ATOM 1126 CG1 ILE A 77 19.008 8.502 -7.596 1.00 0.00 C ATOM 1127 CG2 ILE A 77 16.589 8.355 -7.021 1.00 0.00 C ATOM 1128 CD1 ILE A 77 18.808 7.869 -8.978 1.00 0.00 C ATOM 0 H ILE A 77 19.858 9.798 -5.557 1.00 0.00 H new ATOM 0 HA ILE A 77 17.278 8.626 -4.690 1.00 0.00 H new ATOM 0 HB ILE A 77 18.109 6.873 -6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 77 18.902 9.584 -7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 77 20.021 8.304 -7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.396 7.963 -8.020 1.00 0.00 H new ATOM 0 HG22 ILE A 77 15.860 7.944 -6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.505 9.442 -7.035 1.00 0.00 H new ATOM 0 HD11 ILE A 77 19.540 8.278 -9.675 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.939 6.789 -8.906 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.803 8.089 -9.337 1.00 0.00 H new ATOM 1140 N PRO A 78 18.483 6.654 -3.566 1.00 0.00 N ATOM 1141 CA PRO A 78 19.179 5.745 -2.667 1.00 0.00 C ATOM 1142 C PRO A 78 20.074 4.768 -3.418 1.00 0.00 C ATOM 1143 O PRO A 78 19.796 4.411 -4.562 1.00 0.00 O ATOM 1144 CB PRO A 78 18.086 4.995 -1.901 1.00 0.00 C ATOM 1145 CG PRO A 78 16.819 5.816 -2.116 1.00 0.00 C ATOM 1146 CD PRO A 78 17.051 6.465 -3.471 1.00 0.00 C ATOM 0 HA PRO A 78 19.840 6.299 -2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 78 17.967 3.979 -2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.330 4.916 -0.842 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.928 5.188 -2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.683 6.560 -1.331 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.684 5.831 -4.278 1.00 0.00 H new ATOM 0 HD3 PRO A 78 16.523 7.416 -3.547 1.00 0.00 H new ATOM 1154 N PHE A 79 21.152 4.328 -2.764 1.00 0.00 N ATOM 1155 CA PHE A 79 22.058 3.347 -3.339 1.00 0.00 C ATOM 1156 C PHE A 79 22.644 2.408 -2.286 1.00 0.00 C ATOM 1157 O PHE A 79 22.868 2.814 -1.146 1.00 0.00 O ATOM 1158 CB PHE A 79 23.156 4.022 -4.170 1.00 0.00 C ATOM 1159 CG PHE A 79 23.908 5.132 -3.465 1.00 0.00 C ATOM 1160 CD1 PHE A 79 25.205 4.902 -2.990 1.00 0.00 C ATOM 1161 CD2 PHE A 79 23.316 6.389 -3.300 1.00 0.00 C ATOM 1162 CE1 PHE A 79 25.909 5.932 -2.351 1.00 0.00 C ATOM 1163 CE2 PHE A 79 24.020 7.421 -2.666 1.00 0.00 C ATOM 1164 CZ PHE A 79 25.316 7.192 -2.190 1.00 0.00 C ATOM 0 H PHE A 79 21.414 4.642 -1.830 1.00 0.00 H new ATOM 0 HA PHE A 79 21.467 2.726 -4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 79 23.872 3.262 -4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 79 22.706 4.428 -5.076 1.00 0.00 H new ATOM 0 HD1 PHE A 79 25.663 3.932 -3.116 1.00 0.00 H new ATOM 0 HD2 PHE A 79 22.314 6.564 -3.662 1.00 0.00 H new ATOM 0 HE1 PHE A 79 26.909 5.755 -1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 79 23.563 8.392 -2.545 1.00 0.00 H new ATOM 0 HZ PHE A 79 25.859 7.986 -1.699 1.00 0.00 H new ATOM 1174 N VAL A 80 22.892 1.153 -2.671 1.00 0.00 N ATOM 1175 CA VAL A 80 23.517 0.162 -1.802 1.00 0.00 C ATOM 1176 C VAL A 80 24.793 -0.346 -2.457 1.00 0.00 C ATOM 1177 O VAL A 80 24.882 -0.404 -3.684 1.00 0.00 O ATOM 1178 CB VAL A 80 22.555 -1.007 -1.542 1.00 0.00 C ATOM 1179 CG1 VAL A 80 23.198 -2.041 -0.623 1.00 0.00 C ATOM 1180 CG2 VAL A 80 21.275 -0.556 -0.861 1.00 0.00 C ATOM 0 H VAL A 80 22.662 0.798 -3.599 1.00 0.00 H new ATOM 0 HA VAL A 80 23.758 0.626 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 80 22.328 -1.429 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.500 -2.860 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.104 -2.428 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.450 -1.575 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.627 -1.417 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.515 -0.096 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.763 0.169 -1.493 1.00 0.00 H new ATOM 1190 N PHE A 81 25.786 -0.718 -1.650 1.00 0.00 N ATOM 1191 CA PHE A 81 26.962 -1.394 -2.162 1.00 0.00 C ATOM 1192 C PHE A 81 26.887 -2.912 -2.059 1.00 0.00 C ATOM 1193 O PHE A 81 26.130 -3.443 -1.246 1.00 0.00 O ATOM 1194 CB PHE A 81 28.244 -0.815 -1.571 1.00 0.00 C ATOM 1195 CG PHE A 81 28.658 0.486 -2.215 1.00 0.00 C ATOM 1196 CD1 PHE A 81 28.202 1.703 -1.687 1.00 0.00 C ATOM 1197 CD2 PHE A 81 29.496 0.478 -3.340 1.00 0.00 C ATOM 1198 CE1 PHE A 81 28.593 2.912 -2.283 1.00 0.00 C ATOM 1199 CE2 PHE A 81 29.894 1.685 -3.930 1.00 0.00 C ATOM 1200 CZ PHE A 81 29.443 2.902 -3.399 1.00 0.00 C ATOM 0 H PHE A 81 25.793 -0.560 -0.642 1.00 0.00 H new ATOM 0 HA PHE A 81 26.989 -1.194 -3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 81 28.105 -0.656 -0.502 1.00 0.00 H new ATOM 0 HB3 PHE A 81 29.049 -1.541 -1.683 1.00 0.00 H new ATOM 0 HD1 PHE A 81 27.552 1.710 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 81 29.835 -0.461 -3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 81 28.239 3.850 -1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 81 30.546 1.678 -4.791 1.00 0.00 H new ATOM 0 HZ PHE A 81 29.751 3.834 -3.850 1.00 0.00 H new ATOM 1210 N ALA A 82 27.666 -3.618 -2.873 1.00 0.00 N ATOM 1211 CA ALA A 82 27.680 -5.068 -2.871 1.00 0.00 C ATOM 1212 C ALA A 82 29.115 -5.566 -2.762 1.00 0.00 C ATOM 1213 O ALA A 82 30.030 -4.939 -3.289 1.00 0.00 O ATOM 1214 CB ALA A 82 26.998 -5.586 -4.133 1.00 0.00 C ATOM 0 H ALA A 82 28.303 -3.197 -3.550 1.00 0.00 H new ATOM 0 HA ALA A 82 27.128 -5.447 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 82 27.009 -6.676 -4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 82 25.967 -5.233 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 82 27.530 -5.219 -5.011 1.00 0.00 H new ATOM 1220 N THR A 83 29.306 -6.695 -2.080 1.00 0.00 N ATOM 1221 CA THR A 83 30.617 -7.316 -1.919 1.00 0.00 C ATOM 1222 C THR A 83 30.566 -8.839 -1.935 1.00 0.00 C ATOM 1223 O THR A 83 29.489 -9.430 -2.003 1.00 0.00 O ATOM 1224 CB THR A 83 31.358 -6.795 -0.678 1.00 0.00 C ATOM 1225 OG1 THR A 83 31.121 -7.653 0.416 1.00 0.00 O ATOM 1226 CG2 THR A 83 30.929 -5.387 -0.274 1.00 0.00 C ATOM 0 H THR A 83 28.551 -7.206 -1.622 1.00 0.00 H new ATOM 0 HA THR A 83 31.191 -7.016 -2.796 1.00 0.00 H new ATOM 0 HB THR A 83 32.415 -6.767 -0.942 1.00 0.00 H new ATOM 0 HG1 THR A 83 31.312 -7.178 1.252 1.00 0.00 H new ATOM 0 HG21 THR A 83 31.488 -5.076 0.608 1.00 0.00 H new ATOM 0 HG22 THR A 83 31.130 -4.696 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 83 29.863 -5.382 -0.048 1.00 0.00 H new ATOM 1234 N GLY A 84 31.735 -9.473 -1.874 1.00 0.00 N ATOM 1235 CA GLY A 84 31.860 -10.916 -1.767 1.00 0.00 C ATOM 1236 C GLY A 84 32.909 -11.275 -0.720 1.00 0.00 C ATOM 1237 O GLY A 84 33.306 -10.433 0.086 1.00 0.00 O ATOM 0 H GLY A 84 32.632 -8.988 -1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 84 30.899 -11.353 -1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 84 32.140 -11.337 -2.733 1.00 0.00 H new ATOM 1241 N GLY A 85 33.361 -12.531 -0.728 1.00 0.00 N ATOM 1242 CA GLY A 85 34.276 -13.056 0.278 1.00 0.00 C ATOM 1243 C GLY A 85 35.735 -12.656 0.037 1.00 0.00 C ATOM 1244 O GLY A 85 36.623 -13.148 0.734 1.00 0.00 O ATOM 0 H GLY A 85 33.098 -13.214 -1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 85 33.967 -12.701 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 85 34.202 -14.143 0.294 1.00 0.00 H new ATOM 1248 N SER A 86 35.991 -11.774 -0.935 1.00 0.00 N ATOM 1249 CA SER A 86 37.355 -11.375 -1.272 1.00 0.00 C ATOM 1250 C SER A 86 37.439 -9.909 -1.698 1.00 0.00 C ATOM 1251 O SER A 86 38.485 -9.463 -2.166 1.00 0.00 O ATOM 1252 CB SER A 86 37.895 -12.281 -2.378 1.00 0.00 C ATOM 1253 OG SER A 86 37.103 -12.148 -3.540 1.00 0.00 O ATOM 0 H SER A 86 35.270 -11.325 -1.500 1.00 0.00 H new ATOM 0 HA SER A 86 37.966 -11.483 -0.376 1.00 0.00 H new ATOM 0 HB2 SER A 86 38.929 -12.020 -2.601 1.00 0.00 H new ATOM 0 HB3 SER A 86 37.893 -13.318 -2.043 1.00 0.00 H new ATOM 0 HG SER A 86 37.456 -12.730 -4.245 1.00 0.00 H new ATOM 1259 N ASP A 87 36.348 -9.153 -1.532 1.00 0.00 N ATOM 1260 CA ASP A 87 36.300 -7.749 -1.924 1.00 0.00 C ATOM 1261 C ASP A 87 35.441 -6.880 -1.004 1.00 0.00 C ATOM 1262 O ASP A 87 35.057 -5.772 -1.372 1.00 0.00 O ATOM 1263 CB ASP A 87 35.956 -7.574 -3.409 1.00 0.00 C ATOM 1264 CG ASP A 87 34.813 -8.476 -3.872 1.00 0.00 C ATOM 1265 OD1 ASP A 87 34.075 -8.978 -2.995 1.00 0.00 O ATOM 1266 OD2 ASP A 87 34.695 -8.659 -5.106 1.00 0.00 O ATOM 0 H ASP A 87 35.480 -9.500 -1.124 1.00 0.00 H new ATOM 0 HA ASP A 87 37.314 -7.371 -1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 87 35.687 -6.534 -3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 87 36.842 -7.785 -4.008 1.00 0.00 H new ATOM 1271 N ASP A 88 35.136 -7.378 0.201 1.00 0.00 N ATOM 1272 CA ASP A 88 34.395 -6.616 1.205 1.00 0.00 C ATOM 1273 C ASP A 88 35.153 -5.382 1.707 1.00 0.00 C ATOM 1274 O ASP A 88 34.699 -4.702 2.626 1.00 0.00 O ATOM 1275 CB ASP A 88 33.938 -7.518 2.363 1.00 0.00 C ATOM 1276 CG ASP A 88 35.046 -8.409 2.918 1.00 0.00 C ATOM 1277 OD1 ASP A 88 34.698 -9.327 3.695 1.00 0.00 O ATOM 1278 OD2 ASP A 88 36.225 -8.175 2.571 1.00 0.00 O ATOM 0 H ASP A 88 35.396 -8.317 0.503 1.00 0.00 H new ATOM 0 HA ASP A 88 33.504 -6.233 0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 88 33.549 -6.893 3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 88 33.116 -8.146 2.020 1.00 0.00 H new ATOM 1283 N SER A 89 36.308 -5.097 1.097 1.00 0.00 N ATOM 1284 CA SER A 89 37.124 -3.935 1.412 1.00 0.00 C ATOM 1285 C SER A 89 36.576 -2.679 0.729 1.00 0.00 C ATOM 1286 O SER A 89 37.345 -1.886 0.187 1.00 0.00 O ATOM 1287 CB SER A 89 38.571 -4.198 0.984 1.00 0.00 C ATOM 1288 OG SER A 89 39.098 -5.281 1.722 1.00 0.00 O ATOM 0 H SER A 89 36.703 -5.681 0.360 1.00 0.00 H new ATOM 0 HA SER A 89 37.095 -3.763 2.488 1.00 0.00 H new ATOM 0 HB2 SER A 89 38.610 -4.419 -0.083 1.00 0.00 H new ATOM 0 HB3 SER A 89 39.176 -3.306 1.147 1.00 0.00 H new ATOM 0 HG SER A 89 40.023 -5.447 1.444 1.00 0.00 H new ATOM 1294 N VAL A 90 35.253 -2.492 0.753 1.00 0.00 N ATOM 1295 CA VAL A 90 34.620 -1.330 0.135 1.00 0.00 C ATOM 1296 C VAL A 90 35.216 -0.064 0.758 1.00 0.00 C ATOM 1297 O VAL A 90 35.545 -0.041 1.945 1.00 0.00 O ATOM 1298 CB VAL A 90 33.094 -1.412 0.309 1.00 0.00 C ATOM 1299 CG1 VAL A 90 32.706 -1.726 1.751 1.00 0.00 C ATOM 1300 CG2 VAL A 90 32.426 -0.091 -0.093 1.00 0.00 C ATOM 0 H VAL A 90 34.599 -3.136 1.197 1.00 0.00 H new ATOM 0 HA VAL A 90 34.813 -1.304 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 90 32.750 -2.218 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 90 31.620 -1.776 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 90 33.136 -2.684 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 90 33.084 -0.943 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 90 31.347 -0.174 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 90 32.807 0.715 0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 90 32.648 0.126 -1.138 1.00 0.00 H new ATOM 1310 N ASP A 91 35.354 0.985 -0.059 1.00 0.00 N ATOM 1311 CA ASP A 91 36.090 2.189 0.301 1.00 0.00 C ATOM 1312 C ASP A 91 35.436 2.881 1.498 1.00 0.00 C ATOM 1313 O ASP A 91 34.222 2.816 1.675 1.00 0.00 O ATOM 1314 CB ASP A 91 36.109 3.121 -0.917 1.00 0.00 C ATOM 1315 CG ASP A 91 37.076 4.293 -0.741 1.00 0.00 C ATOM 1316 OD1 ASP A 91 36.970 5.239 -1.554 1.00 0.00 O ATOM 1317 OD2 ASP A 91 37.903 4.232 0.193 1.00 0.00 O ATOM 0 H ASP A 91 34.952 1.017 -0.996 1.00 0.00 H new ATOM 0 HA ASP A 91 37.109 1.931 0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 91 36.391 2.551 -1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 91 35.104 3.506 -1.092 1.00 0.00 H new ATOM 1322 N SER A 92 36.250 3.552 2.324 1.00 0.00 N ATOM 1323 CA SER A 92 35.778 4.235 3.522 1.00 0.00 C ATOM 1324 C SER A 92 34.869 5.404 3.152 1.00 0.00 C ATOM 1325 O SER A 92 34.141 5.916 4.001 1.00 0.00 O ATOM 1326 CB SER A 92 36.978 4.718 4.335 1.00 0.00 C ATOM 1327 OG SER A 92 37.724 5.663 3.595 1.00 0.00 O ATOM 0 H SER A 92 37.256 3.633 2.174 1.00 0.00 H new ATOM 0 HA SER A 92 35.195 3.539 4.126 1.00 0.00 H new ATOM 0 HB2 SER A 92 36.637 5.165 5.269 1.00 0.00 H new ATOM 0 HB3 SER A 92 37.611 3.871 4.599 1.00 0.00 H new ATOM 0 HG SER A 92 38.489 5.966 4.128 1.00 0.00 H new ATOM 1333 N ARG A 93 34.910 5.830 1.885 1.00 0.00 N ATOM 1334 CA ARG A 93 34.049 6.886 1.372 1.00 0.00 C ATOM 1335 C ARG A 93 32.591 6.420 1.327 1.00 0.00 C ATOM 1336 O ARG A 93 31.691 7.239 1.157 1.00 0.00 O ATOM 1337 CB ARG A 93 34.559 7.282 -0.016 1.00 0.00 C ATOM 1338 CG ARG A 93 33.683 8.358 -0.656 1.00 0.00 C ATOM 1339 CD ARG A 93 34.357 8.870 -1.925 1.00 0.00 C ATOM 1340 NE ARG A 93 33.489 9.825 -2.623 1.00 0.00 N ATOM 1341 CZ ARG A 93 33.559 11.150 -2.489 1.00 0.00 C ATOM 1342 NH1 ARG A 93 34.453 11.705 -1.672 1.00 0.00 N ATOM 1343 NH2 ARG A 93 32.730 11.921 -3.184 1.00 0.00 N ATOM 0 H ARG A 93 35.547 5.446 1.187 1.00 0.00 H new ATOM 0 HA ARG A 93 34.080 7.755 2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 93 35.583 7.647 0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 93 34.583 6.402 -0.659 1.00 0.00 H new ATOM 0 HG2 ARG A 93 32.700 7.950 -0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 93 33.527 9.179 0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 93 35.303 9.348 -1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 93 34.588 8.033 -2.583 1.00 0.00 H new ATOM 0 HE ARG A 93 32.782 9.449 -3.255 1.00 0.00 H new ATOM 0 HH11 ARG A 93 35.094 11.115 -1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 93 34.497 12.720 -1.578 1.00 0.00 H new ATOM 0 HH21 ARG A 93 32.048 11.499 -3.813 1.00 0.00 H new ATOM 0 HH22 ARG A 93 32.776 12.935 -3.088 1.00 0.00 H new ATOM 1357 N PHE A 94 32.356 5.112 1.476 1.00 0.00 N ATOM 1358 CA PHE A 94 31.015 4.552 1.361 1.00 0.00 C ATOM 1359 C PHE A 94 30.714 3.583 2.505 1.00 0.00 C ATOM 1360 O PHE A 94 29.699 2.889 2.470 1.00 0.00 O ATOM 1361 CB PHE A 94 30.876 3.851 0.008 1.00 0.00 C ATOM 1362 CG PHE A 94 31.193 4.744 -1.167 1.00 0.00 C ATOM 1363 CD1 PHE A 94 32.378 4.550 -1.890 1.00 0.00 C ATOM 1364 CD2 PHE A 94 30.307 5.770 -1.535 1.00 0.00 C ATOM 1365 CE1 PHE A 94 32.676 5.372 -2.983 1.00 0.00 C ATOM 1366 CE2 PHE A 94 30.605 6.592 -2.632 1.00 0.00 C ATOM 1367 CZ PHE A 94 31.787 6.390 -3.358 1.00 0.00 C ATOM 0 H PHE A 94 33.082 4.424 1.677 1.00 0.00 H new ATOM 0 HA PHE A 94 30.290 5.363 1.427 1.00 0.00 H new ATOM 0 HB2 PHE A 94 31.539 2.986 -0.014 1.00 0.00 H new ATOM 0 HB3 PHE A 94 29.858 3.476 -0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 94 33.062 3.765 -1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 94 29.397 5.926 -0.974 1.00 0.00 H new ATOM 0 HE1 PHE A 94 33.591 5.222 -3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 94 29.924 7.380 -2.917 1.00 0.00 H new ATOM 0 HZ PHE A 94 32.013 7.019 -4.207 1.00 0.00 H new ATOM 1377 N ARG A 95 31.584 3.522 3.523 1.00 0.00 N ATOM 1378 CA ARG A 95 31.351 2.671 4.686 1.00 0.00 C ATOM 1379 C ARG A 95 30.149 3.157 5.497 1.00 0.00 C ATOM 1380 O ARG A 95 29.622 2.419 6.330 1.00 0.00 O ATOM 1381 CB ARG A 95 32.610 2.640 5.561 1.00 0.00 C ATOM 1382 CG ARG A 95 33.693 1.741 4.965 1.00 0.00 C ATOM 1383 CD ARG A 95 33.306 0.267 5.066 1.00 0.00 C ATOM 1384 NE ARG A 95 34.391 -0.587 4.566 1.00 0.00 N ATOM 1385 CZ ARG A 95 34.777 -1.728 5.142 1.00 0.00 C ATOM 1386 NH1 ARG A 95 34.158 -2.186 6.229 1.00 0.00 N ATOM 1387 NH2 ARG A 95 35.793 -2.413 4.627 1.00 0.00 N ATOM 0 H ARG A 95 32.454 4.054 3.559 1.00 0.00 H new ATOM 0 HA ARG A 95 31.128 1.663 4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 95 32.999 3.652 5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 95 32.351 2.285 6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 95 33.855 2.006 3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 95 34.636 1.909 5.486 1.00 0.00 H new ATOM 0 HD2 ARG A 95 33.085 0.014 6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 95 32.398 0.084 4.492 1.00 0.00 H new ATOM 0 HE ARG A 95 34.882 -0.289 3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 95 33.379 -1.664 6.631 1.00 0.00 H new ATOM 0 HH12 ARG A 95 34.463 -3.059 6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 95 36.273 -2.066 3.796 1.00 0.00 H new ATOM 0 HH22 ARG A 95 36.093 -3.285 5.062 1.00 0.00 H new ATOM 1401 N ASP A 96 29.718 4.398 5.256 1.00 0.00 N ATOM 1402 CA ASP A 96 28.551 4.970 5.909 1.00 0.00 C ATOM 1403 C ASP A 96 27.238 4.577 5.224 1.00 0.00 C ATOM 1404 O ASP A 96 26.167 4.723 5.813 1.00 0.00 O ATOM 1405 CB ASP A 96 28.689 6.492 6.039 1.00 0.00 C ATOM 1406 CG ASP A 96 29.171 7.179 4.757 1.00 0.00 C ATOM 1407 OD1 ASP A 96 29.457 8.394 4.841 1.00 0.00 O ATOM 1408 OD2 ASP A 96 29.251 6.493 3.712 1.00 0.00 O ATOM 0 H ASP A 96 30.174 5.031 4.599 1.00 0.00 H new ATOM 0 HA ASP A 96 28.507 4.546 6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 96 27.725 6.912 6.325 1.00 0.00 H new ATOM 0 HB3 ASP A 96 29.387 6.717 6.846 1.00 0.00 H new ATOM 1413 N ARG A 97 27.324 4.077 3.987 1.00 0.00 N ATOM 1414 CA ARG A 97 26.172 3.558 3.264 1.00 0.00 C ATOM 1415 C ARG A 97 25.952 2.087 3.615 1.00 0.00 C ATOM 1416 O ARG A 97 26.884 1.419 4.061 1.00 0.00 O ATOM 1417 CB ARG A 97 26.388 3.720 1.753 1.00 0.00 C ATOM 1418 CG ARG A 97 25.978 5.113 1.264 1.00 0.00 C ATOM 1419 CD ARG A 97 26.848 6.202 1.885 1.00 0.00 C ATOM 1420 NE ARG A 97 26.570 7.510 1.277 1.00 0.00 N ATOM 1421 CZ ARG A 97 27.473 8.489 1.164 1.00 0.00 C ATOM 1422 NH1 ARG A 97 28.699 8.345 1.658 1.00 0.00 N ATOM 1423 NH2 ARG A 97 27.148 9.622 0.552 1.00 0.00 N ATOM 0 H ARG A 97 28.198 4.023 3.464 1.00 0.00 H new ATOM 0 HA ARG A 97 25.285 4.121 3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 97 27.437 3.546 1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 97 25.811 2.964 1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 97 26.058 5.157 0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 97 24.933 5.294 1.514 1.00 0.00 H new ATOM 0 HD2 ARG A 97 26.665 6.250 2.959 1.00 0.00 H new ATOM 0 HD3 ARG A 97 27.900 5.952 1.752 1.00 0.00 H new ATOM 0 HE ARG A 97 25.630 7.682 0.919 1.00 0.00 H new ATOM 0 HH11 ARG A 97 28.960 7.479 2.130 1.00 0.00 H new ATOM 0 HH12 ARG A 97 29.378 9.100 1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 97 26.211 9.744 0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 97 27.836 10.370 0.465 1.00 0.00 H new ATOM 1437 N PRO A 98 24.733 1.572 3.413 1.00 0.00 N ATOM 1438 CA PRO A 98 24.438 0.168 3.607 1.00 0.00 C ATOM 1439 C PRO A 98 25.162 -0.661 2.554 1.00 0.00 C ATOM 1440 O PRO A 98 25.484 -0.155 1.477 1.00 0.00 O ATOM 1441 CB PRO A 98 22.924 0.036 3.473 1.00 0.00 C ATOM 1442 CG PRO A 98 22.527 1.236 2.615 1.00 0.00 C ATOM 1443 CD PRO A 98 23.566 2.300 2.963 1.00 0.00 C ATOM 0 HA PRO A 98 24.772 -0.193 4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 98 22.645 -0.905 2.998 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.433 0.060 4.446 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.547 0.991 1.553 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.517 1.574 2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 98 23.800 2.918 2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 98 23.197 2.969 3.741 1.00 0.00 H new ATOM 1451 N VAL A 99 25.421 -1.931 2.856 1.00 0.00 N ATOM 1452 CA VAL A 99 26.149 -2.791 1.944 1.00 0.00 C ATOM 1453 C VAL A 99 25.724 -4.239 2.141 1.00 0.00 C ATOM 1454 O VAL A 99 25.694 -4.745 3.261 1.00 0.00 O ATOM 1455 CB VAL A 99 27.657 -2.599 2.163 1.00 0.00 C ATOM 1456 CG1 VAL A 99 28.061 -2.815 3.624 1.00 0.00 C ATOM 1457 CG2 VAL A 99 28.457 -3.567 1.295 1.00 0.00 C ATOM 0 H VAL A 99 25.135 -2.381 3.726 1.00 0.00 H new ATOM 0 HA VAL A 99 25.920 -2.524 0.912 1.00 0.00 H new ATOM 0 HB VAL A 99 27.879 -1.569 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 99 29.136 -2.669 3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 99 27.534 -2.101 4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 99 27.801 -3.829 3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 99 29.523 -3.414 1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 99 28.192 -4.592 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 99 28.229 -3.387 0.244 1.00 0.00 H new ATOM 1467 N LEU A 100 25.396 -4.900 1.028 1.00 0.00 N ATOM 1468 CA LEU A 100 25.162 -6.334 0.991 1.00 0.00 C ATOM 1469 C LEU A 100 26.463 -7.045 0.628 1.00 0.00 C ATOM 1470 O LEU A 100 27.330 -6.458 -0.017 1.00 0.00 O ATOM 1471 CB LEU A 100 24.058 -6.647 -0.025 1.00 0.00 C ATOM 1472 CG LEU A 100 22.721 -6.002 0.365 1.00 0.00 C ATOM 1473 CD1 LEU A 100 21.696 -6.272 -0.736 1.00 0.00 C ATOM 1474 CD2 LEU A 100 22.197 -6.590 1.675 1.00 0.00 C ATOM 0 H LEU A 100 25.286 -4.445 0.122 1.00 0.00 H new ATOM 0 HA LEU A 100 24.835 -6.688 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 100 24.359 -6.290 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 100 23.931 -7.727 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 100 22.876 -4.931 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 100 20.743 -5.817 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 100 22.049 -5.845 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 100 21.564 -7.347 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 100 21.249 -6.118 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 100 22.048 -7.663 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 100 22.920 -6.408 2.470 1.00 0.00 H new ATOM 1486 N GLN A 101 26.612 -8.303 1.037 1.00 0.00 N ATOM 1487 CA GLN A 101 27.834 -9.056 0.788 1.00 0.00 C ATOM 1488 C GLN A 101 27.515 -10.521 0.474 1.00 0.00 C ATOM 1489 O GLN A 101 26.769 -10.795 -0.463 1.00 0.00 O ATOM 1490 CB GLN A 101 28.817 -8.868 1.957 1.00 0.00 C ATOM 1491 CG GLN A 101 28.211 -9.162 3.334 1.00 0.00 C ATOM 1492 CD GLN A 101 27.244 -8.075 3.793 1.00 0.00 C ATOM 1493 OE1 GLN A 101 26.145 -8.376 4.257 1.00 0.00 O ATOM 1494 NE2 GLN A 101 27.636 -6.811 3.669 1.00 0.00 N ATOM 0 H GLN A 101 25.896 -8.823 1.545 1.00 0.00 H new ATOM 0 HA GLN A 101 28.333 -8.668 -0.100 1.00 0.00 H new ATOM 0 HB2 GLN A 101 29.677 -9.519 1.803 1.00 0.00 H new ATOM 0 HB3 GLN A 101 29.187 -7.843 1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 101 27.688 -10.118 3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 101 29.013 -9.263 4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 101 28.554 -6.598 3.280 1.00 0.00 H new ATOM 0 HE22 GLN A 101 27.018 -6.054 3.963 1.00 0.00 H new ATOM 1503 N LYS A 102 28.077 -11.454 1.252 1.00 0.00 N ATOM 1504 CA LYS A 102 27.796 -12.883 1.126 1.00 0.00 C ATOM 1505 C LYS A 102 26.281 -13.141 1.136 1.00 0.00 C ATOM 1506 O LYS A 102 25.513 -12.253 1.509 1.00 0.00 O ATOM 1507 CB LYS A 102 28.545 -13.648 2.233 1.00 0.00 C ATOM 1508 CG LYS A 102 28.464 -13.000 3.626 1.00 0.00 C ATOM 1509 CD LYS A 102 27.030 -12.939 4.163 1.00 0.00 C ATOM 1510 CE LYS A 102 27.012 -12.426 5.603 1.00 0.00 C ATOM 1511 NZ LYS A 102 27.767 -13.317 6.506 1.00 0.00 N ATOM 0 H LYS A 102 28.744 -11.233 1.991 1.00 0.00 H new ATOM 0 HA LYS A 102 28.159 -13.253 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 102 28.143 -14.659 2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 102 29.593 -13.738 1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 102 29.085 -13.564 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 102 28.874 -11.991 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 102 26.428 -12.286 3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 102 26.578 -13.930 4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 102 27.439 -11.424 5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 102 25.981 -12.345 5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 27.456 -13.163 7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 27.595 -14.308 6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 28.783 -13.109 6.429 1.00 0.00 H new ATOM 1525 N PRO A 103 25.837 -14.342 0.730 1.00 0.00 N ATOM 1526 CA PRO A 103 24.425 -14.674 0.631 1.00 0.00 C ATOM 1527 C PRO A 103 23.647 -14.219 1.867 1.00 0.00 C ATOM 1528 O PRO A 103 24.115 -14.363 2.997 1.00 0.00 O ATOM 1529 CB PRO A 103 24.375 -16.187 0.431 1.00 0.00 C ATOM 1530 CG PRO A 103 25.695 -16.485 -0.282 1.00 0.00 C ATOM 1531 CD PRO A 103 26.662 -15.460 0.309 1.00 0.00 C ATOM 0 HA PRO A 103 23.946 -14.156 -0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.301 -16.717 1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.516 -16.486 -0.169 1.00 0.00 H new ATOM 0 HG2 PRO A 103 26.030 -17.506 -0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.602 -16.372 -1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 103 27.212 -15.880 1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 103 27.400 -15.146 -0.429 1.00 0.00 H new ATOM 1539 N PHE A 104 22.456 -13.666 1.632 1.00 0.00 N ATOM 1540 CA PHE A 104 21.663 -12.997 2.652 1.00 0.00 C ATOM 1541 C PHE A 104 20.216 -13.476 2.746 1.00 0.00 C ATOM 1542 O PHE A 104 19.642 -13.931 1.758 1.00 0.00 O ATOM 1543 CB PHE A 104 21.775 -11.480 2.495 1.00 0.00 C ATOM 1544 CG PHE A 104 21.932 -11.041 1.053 1.00 0.00 C ATOM 1545 CD1 PHE A 104 20.869 -11.190 0.149 1.00 0.00 C ATOM 1546 CD2 PHE A 104 23.153 -10.510 0.614 1.00 0.00 C ATOM 1547 CE1 PHE A 104 21.032 -10.815 -1.191 1.00 0.00 C ATOM 1548 CE2 PHE A 104 23.315 -10.143 -0.729 1.00 0.00 C ATOM 1549 CZ PHE A 104 22.255 -10.293 -1.633 1.00 0.00 C ATOM 0 H PHE A 104 22.013 -13.673 0.713 1.00 0.00 H new ATOM 0 HA PHE A 104 22.090 -13.280 3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 104 20.886 -11.011 2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 104 22.628 -11.123 3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 104 19.926 -11.594 0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 104 23.969 -10.384 1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 104 20.213 -10.929 -1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 104 24.259 -9.744 -1.068 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.380 -10.007 -2.667 1.00 0.00 H new ATOM 1559 N THR A 105 19.632 -13.367 3.941 1.00 0.00 N ATOM 1560 CA THR A 105 18.240 -13.739 4.179 1.00 0.00 C ATOM 1561 C THR A 105 17.255 -12.678 3.696 1.00 0.00 C ATOM 1562 O THR A 105 17.653 -11.575 3.317 1.00 0.00 O ATOM 1563 CB THR A 105 18.011 -14.102 5.649 1.00 0.00 C ATOM 1564 OG1 THR A 105 17.729 -12.929 6.383 1.00 0.00 O ATOM 1565 CG2 THR A 105 19.230 -14.791 6.261 1.00 0.00 C ATOM 0 H THR A 105 20.113 -13.018 4.770 1.00 0.00 H new ATOM 0 HA THR A 105 18.043 -14.628 3.580 1.00 0.00 H new ATOM 0 HB THR A 105 17.171 -14.795 5.694 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.581 -13.160 7.324 1.00 0.00 H new ATOM 0 HG21 THR A 105 19.026 -15.032 7.304 1.00 0.00 H new ATOM 0 HG22 THR A 105 19.443 -15.708 5.712 1.00 0.00 H new ATOM 0 HG23 THR A 105 20.091 -14.125 6.204 1.00 0.00 H new ATOM 1573 N MET A 106 15.964 -13.012 3.715 1.00 0.00 N ATOM 1574 CA MET A 106 14.913 -12.083 3.340 1.00 0.00 C ATOM 1575 C MET A 106 14.962 -10.878 4.287 1.00 0.00 C ATOM 1576 O MET A 106 14.639 -9.755 3.902 1.00 0.00 O ATOM 1577 CB MET A 106 13.574 -12.822 3.441 1.00 0.00 C ATOM 1578 CG MET A 106 12.502 -12.273 2.495 1.00 0.00 C ATOM 1579 SD MET A 106 12.021 -10.543 2.753 1.00 0.00 S ATOM 1580 CE MET A 106 13.009 -9.780 1.441 1.00 0.00 C ATOM 0 H MET A 106 15.625 -13.933 3.991 1.00 0.00 H new ATOM 0 HA MET A 106 15.041 -11.719 2.320 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.733 -13.878 3.223 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.210 -12.759 4.466 1.00 0.00 H new ATOM 0 HG2 MET A 106 12.860 -12.381 1.471 1.00 0.00 H new ATOM 0 HG3 MET A 106 11.611 -12.894 2.588 1.00 0.00 H new ATOM 0 HE1 MET A 106 13.253 -8.755 1.719 1.00 0.00 H new ATOM 0 HE2 MET A 106 13.929 -10.347 1.302 1.00 0.00 H new ATOM 0 HE3 MET A 106 12.440 -9.778 0.511 1.00 0.00 H new ATOM 1590 N ASP A 107 15.371 -11.108 5.538 1.00 0.00 N ATOM 1591 CA ASP A 107 15.509 -10.042 6.518 1.00 0.00 C ATOM 1592 C ASP A 107 16.828 -9.283 6.358 1.00 0.00 C ATOM 1593 O ASP A 107 16.943 -8.145 6.811 1.00 0.00 O ATOM 1594 CB ASP A 107 15.383 -10.623 7.931 1.00 0.00 C ATOM 1595 CG ASP A 107 13.984 -11.169 8.220 1.00 0.00 C ATOM 1596 OD1 ASP A 107 13.831 -11.793 9.293 1.00 0.00 O ATOM 1597 OD2 ASP A 107 13.084 -10.964 7.375 1.00 0.00 O ATOM 0 H ASP A 107 15.613 -12.034 5.892 1.00 0.00 H new ATOM 0 HA ASP A 107 14.708 -9.322 6.350 1.00 0.00 H new ATOM 0 HB2 ASP A 107 16.114 -11.422 8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.625 -9.850 8.661 1.00 0.00 H new ATOM 1602 N GLY A 108 17.822 -9.906 5.712 1.00 0.00 N ATOM 1603 CA GLY A 108 19.127 -9.295 5.527 1.00 0.00 C ATOM 1604 C GLY A 108 19.077 -8.173 4.492 1.00 0.00 C ATOM 1605 O GLY A 108 19.706 -7.131 4.670 1.00 0.00 O ATOM 0 H GLY A 108 17.737 -10.839 5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 108 19.483 -8.899 6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 108 19.843 -10.053 5.210 1.00 0.00 H new ATOM 1609 N VAL A 109 18.325 -8.379 3.407 1.00 0.00 N ATOM 1610 CA VAL A 109 18.156 -7.348 2.387 1.00 0.00 C ATOM 1611 C VAL A 109 17.184 -6.277 2.869 1.00 0.00 C ATOM 1612 O VAL A 109 17.284 -5.125 2.460 1.00 0.00 O ATOM 1613 CB VAL A 109 17.682 -7.979 1.071 1.00 0.00 C ATOM 1614 CG1 VAL A 109 18.617 -9.114 0.658 1.00 0.00 C ATOM 1615 CG2 VAL A 109 16.264 -8.533 1.207 1.00 0.00 C ATOM 0 H VAL A 109 17.826 -9.248 3.215 1.00 0.00 H new ATOM 0 HA VAL A 109 19.118 -6.868 2.205 1.00 0.00 H new ATOM 0 HB VAL A 109 17.690 -7.198 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 109 18.267 -9.551 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 109 19.625 -8.723 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 109 18.626 -9.879 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.953 -8.974 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 109 16.244 -9.295 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.582 -7.725 1.472 1.00 0.00 H new ATOM 1625 N ALA A 110 16.243 -6.651 3.743 1.00 0.00 N ATOM 1626 CA ALA A 110 15.305 -5.696 4.309 1.00 0.00 C ATOM 1627 C ALA A 110 16.028 -4.784 5.294 1.00 0.00 C ATOM 1628 O ALA A 110 15.599 -3.655 5.522 1.00 0.00 O ATOM 1629 CB ALA A 110 14.176 -6.456 4.997 1.00 0.00 C ATOM 0 H ALA A 110 16.117 -7.609 4.069 1.00 0.00 H new ATOM 0 HA ALA A 110 14.882 -5.074 3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.468 -5.747 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.665 -7.085 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.588 -7.080 5.790 1.00 0.00 H new ATOM 1635 N LYS A 111 17.130 -5.277 5.876 1.00 0.00 N ATOM 1636 CA LYS A 111 17.933 -4.508 6.811 1.00 0.00 C ATOM 1637 C LYS A 111 18.673 -3.397 6.074 1.00 0.00 C ATOM 1638 O LYS A 111 18.792 -2.283 6.585 1.00 0.00 O ATOM 1639 CB LYS A 111 18.919 -5.464 7.485 1.00 0.00 C ATOM 1640 CG LYS A 111 19.718 -4.768 8.583 1.00 0.00 C ATOM 1641 CD LYS A 111 20.714 -5.769 9.168 1.00 0.00 C ATOM 1642 CE LYS A 111 21.377 -5.197 10.425 1.00 0.00 C ATOM 1643 NZ LYS A 111 22.135 -3.970 10.127 1.00 0.00 N ATOM 0 H LYS A 111 17.482 -6.219 5.706 1.00 0.00 H new ATOM 0 HA LYS A 111 17.299 -4.041 7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.375 -6.308 7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.602 -5.868 6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 111 20.244 -3.903 8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 111 19.050 -4.399 9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 111 20.202 -6.700 9.412 1.00 0.00 H new ATOM 0 HD3 LYS A 111 21.475 -6.009 8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 111 20.614 -4.982 11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 111 22.045 -5.943 10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 22.653 -3.667 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 22.810 -4.157 9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 21.478 -3.218 9.835 1.00 0.00 H new ATOM 1657 N ALA A 112 19.172 -3.698 4.871 1.00 0.00 N ATOM 1658 CA ALA A 112 19.895 -2.724 4.064 1.00 0.00 C ATOM 1659 C ALA A 112 18.942 -1.680 3.478 1.00 0.00 C ATOM 1660 O ALA A 112 19.248 -0.485 3.484 1.00 0.00 O ATOM 1661 CB ALA A 112 20.640 -3.458 2.952 1.00 0.00 C ATOM 0 H ALA A 112 19.085 -4.617 4.437 1.00 0.00 H new ATOM 0 HA ALA A 112 20.609 -2.195 4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.185 -2.737 2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.343 -4.166 3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.925 -3.995 2.328 1.00 0.00 H new ATOM 1667 N LEU A 113 17.787 -2.126 2.972 1.00 0.00 N ATOM 1668 CA LEU A 113 16.822 -1.223 2.362 1.00 0.00 C ATOM 1669 C LEU A 113 16.167 -0.336 3.427 1.00 0.00 C ATOM 1670 O LEU A 113 15.680 0.745 3.108 1.00 0.00 O ATOM 1671 CB LEU A 113 15.767 -2.032 1.603 1.00 0.00 C ATOM 1672 CG LEU A 113 16.371 -2.762 0.400 1.00 0.00 C ATOM 1673 CD1 LEU A 113 15.299 -3.646 -0.237 1.00 0.00 C ATOM 1674 CD2 LEU A 113 16.869 -1.773 -0.653 1.00 0.00 C ATOM 0 H LEU A 113 17.504 -3.106 2.976 1.00 0.00 H new ATOM 0 HA LEU A 113 17.339 -0.572 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 113 15.310 -2.757 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.973 -1.367 1.264 1.00 0.00 H new ATOM 0 HG LEU A 113 17.213 -3.359 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 113 15.721 -4.169 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.946 -4.373 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 113 14.464 -3.027 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.292 -2.321 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 113 16.036 -1.161 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.634 -1.131 -0.216 1.00 0.00 H new ATOM 1686 N ALA A 114 16.156 -0.788 4.688 1.00 0.00 N ATOM 1687 CA ALA A 114 15.643 0.019 5.782 1.00 0.00 C ATOM 1688 C ALA A 114 16.693 1.035 6.232 1.00 0.00 C ATOM 1689 O ALA A 114 16.349 2.083 6.777 1.00 0.00 O ATOM 1690 CB ALA A 114 15.250 -0.900 6.941 1.00 0.00 C ATOM 0 H ALA A 114 16.498 -1.708 4.967 1.00 0.00 H new ATOM 0 HA ALA A 114 14.764 0.570 5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.864 -0.301 7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.481 -1.597 6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.125 -1.458 7.276 1.00 0.00 H new ATOM 1696 N ALA A 115 17.974 0.725 6.007 1.00 0.00 N ATOM 1697 CA ALA A 115 19.062 1.615 6.372 1.00 0.00 C ATOM 1698 C ALA A 115 19.177 2.773 5.380 1.00 0.00 C ATOM 1699 O ALA A 115 19.850 3.761 5.664 1.00 0.00 O ATOM 1700 CB ALA A 115 20.363 0.823 6.443 1.00 0.00 C ATOM 0 H ALA A 115 18.276 -0.145 5.569 1.00 0.00 H new ATOM 0 HA ALA A 115 18.856 2.046 7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 115 21.180 1.490 6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 115 20.270 0.037 7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 115 20.570 0.375 5.471 1.00 0.00 H new ATOM 1706 N LEU A 116 18.528 2.668 4.220 1.00 0.00 N ATOM 1707 CA LEU A 116 18.499 3.766 3.259 1.00 0.00 C ATOM 1708 C LEU A 116 17.684 4.949 3.794 1.00 0.00 C ATOM 1709 O LEU A 116 17.727 6.028 3.208 1.00 0.00 O ATOM 1710 CB LEU A 116 17.898 3.277 1.937 1.00 0.00 C ATOM 1711 CG LEU A 116 18.789 2.239 1.248 1.00 0.00 C ATOM 1712 CD1 LEU A 116 18.041 1.668 0.049 1.00 0.00 C ATOM 1713 CD2 LEU A 116 20.095 2.874 0.767 1.00 0.00 C ATOM 0 H LEU A 116 18.017 1.836 3.926 1.00 0.00 H new ATOM 0 HA LEU A 116 19.522 4.105 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 116 16.916 2.844 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.750 4.127 1.270 1.00 0.00 H new ATOM 0 HG LEU A 116 19.029 1.451 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 116 18.665 0.927 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 116 17.118 1.196 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 116 17.804 2.472 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 116 20.710 2.117 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 116 19.872 3.671 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 116 20.634 3.288 1.619 1.00 0.00 H new ATOM 1725 N LEU A 117 16.947 4.753 4.892 1.00 0.00 N ATOM 1726 CA LEU A 117 16.073 5.787 5.443 1.00 0.00 C ATOM 1727 C LEU A 117 16.762 6.564 6.571 1.00 0.00 C ATOM 1728 O LEU A 117 16.221 7.568 7.036 1.00 0.00 O ATOM 1729 CB LEU A 117 14.779 5.148 5.968 1.00 0.00 C ATOM 1730 CG LEU A 117 13.774 4.769 4.862 1.00 0.00 C ATOM 1731 CD1 LEU A 117 13.323 6.002 4.079 1.00 0.00 C ATOM 1732 CD2 LEU A 117 14.356 3.746 3.890 1.00 0.00 C ATOM 0 H LEU A 117 16.941 3.879 5.418 1.00 0.00 H new ATOM 0 HA LEU A 117 15.840 6.490 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 117 15.032 4.253 6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.299 5.840 6.660 1.00 0.00 H new ATOM 0 HG LEU A 117 12.915 4.324 5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.615 5.703 3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 117 12.844 6.708 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 117 14.188 6.475 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 117 13.615 3.507 3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 117 15.245 4.160 3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 117 14.623 2.839 4.433 1.00 0.00 H new ATOM 1744 N VAL A 118 17.939 6.116 7.017 1.00 0.00 N ATOM 1745 CA VAL A 118 18.655 6.762 8.116 1.00 0.00 C ATOM 1746 C VAL A 118 19.292 8.087 7.702 1.00 0.00 C ATOM 1747 O VAL A 118 19.494 8.927 8.607 1.00 0.00 O ATOM 1748 CB VAL A 118 19.667 5.804 8.763 1.00 0.00 C ATOM 1749 CG1 VAL A 118 19.092 4.394 8.872 1.00 0.00 C ATOM 1750 CG2 VAL A 118 20.967 5.781 7.956 1.00 0.00 C ATOM 0 H VAL A 118 18.417 5.303 6.629 1.00 0.00 H new ATOM 0 HA VAL A 118 17.915 7.012 8.876 1.00 0.00 H new ATOM 0 HB VAL A 118 19.880 6.165 9.769 1.00 0.00 H new ATOM 0 HG11 VAL A 118 19.828 3.736 9.333 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.190 4.415 9.484 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.847 4.023 7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 118 21.675 5.098 8.426 1.00 0.00 H new ATOM 0 HG22 VAL A 118 20.759 5.445 6.940 1.00 0.00 H new ATOM 0 HG23 VAL A 118 21.395 6.783 7.926 1.00 0.00 H new TER 1760 VAL A 118