USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 628 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 60 TYR OH : rot -30:sc= -0.979 USER MOD Set 1.2: A 70 SER OG : rot 160:sc= 0.19 USER MOD Set 2.1: A 1 MET N :NH3+ -153:sc= -2.33! (180deg=-3.61!) USER MOD Set 2.2: A 77 THR OG1 : rot 180:sc= 0.859 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.133 (180deg=-1.12) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 155:sc= -0.125 (180deg=-1.12) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -7.55! C(o=-7.6!,f=-16!) USER MOD Single : A 39 MET CE :methyl 162:sc= -0.484 (180deg=-1.07) USER MOD Single : A 40 THR OG1 : rot -63:sc= -0.891 USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= -0.0155 (180deg=-0.253) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -164:sc= -0.848 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.96) USER MOD Single : A 71 THR OG1 : rot 48:sc= 0.165 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 73.349 0.743 -10.032 1.00 0.00 N ATOM 2 CA MET A 1 72.133 -0.040 -10.386 1.00 0.00 C ATOM 3 C MET A 1 72.306 -1.484 -9.927 1.00 0.00 C ATOM 4 O MET A 1 72.759 -2.340 -10.688 1.00 0.00 O ATOM 5 CB MET A 1 71.918 0.007 -11.899 1.00 0.00 C ATOM 6 CG MET A 1 70.623 -0.726 -12.258 1.00 0.00 C ATOM 7 SD MET A 1 70.326 -0.590 -14.042 1.00 0.00 S ATOM 8 CE MET A 1 71.742 -1.577 -14.594 1.00 0.00 C ATOM 0 H1 MET A 1 73.094 1.744 -9.909 1.00 0.00 H new ATOM 0 H2 MET A 1 73.752 0.377 -9.146 1.00 0.00 H new ATOM 0 H3 MET A 1 74.052 0.656 -10.794 1.00 0.00 H new ATOM 0 HA MET A 1 71.263 0.390 -9.889 1.00 0.00 H new ATOM 0 HB2 MET A 1 71.867 1.042 -12.237 1.00 0.00 H new ATOM 0 HB3 MET A 1 72.763 -0.454 -12.411 1.00 0.00 H new ATOM 0 HG2 MET A 1 70.694 -1.775 -11.969 1.00 0.00 H new ATOM 0 HG3 MET A 1 69.786 -0.299 -11.706 1.00 0.00 H new ATOM 0 HE1 MET A 1 71.532 -1.996 -15.578 1.00 0.00 H new ATOM 0 HE2 MET A 1 72.627 -0.943 -14.651 1.00 0.00 H new ATOM 0 HE3 MET A 1 71.920 -2.386 -13.885 1.00 0.00 H new ATOM 20 N TYR A 2 71.926 -1.749 -8.678 1.00 0.00 N ATOM 21 CA TYR A 2 72.025 -3.093 -8.102 1.00 0.00 C ATOM 22 C TYR A 2 70.651 -3.551 -7.624 1.00 0.00 C ATOM 23 O TYR A 2 69.817 -2.735 -7.231 1.00 0.00 O ATOM 24 CB TYR A 2 73.018 -3.089 -6.921 1.00 0.00 C ATOM 25 CG TYR A 2 73.737 -4.432 -6.832 1.00 0.00 C ATOM 26 CD1 TYR A 2 73.087 -5.552 -6.287 1.00 0.00 C ATOM 27 CD2 TYR A 2 75.050 -4.559 -7.317 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.751 -6.783 -6.219 1.00 0.00 C ATOM 29 CE2 TYR A 2 75.706 -5.792 -7.249 1.00 0.00 C ATOM 30 CZ TYR A 2 75.060 -6.903 -6.698 1.00 0.00 C ATOM 31 OH TYR A 2 75.713 -8.117 -6.637 1.00 0.00 O ATOM 0 H TYR A 2 71.545 -1.049 -8.042 1.00 0.00 H new ATOM 0 HA TYR A 2 72.387 -3.782 -8.865 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.745 -2.287 -7.050 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.487 -2.890 -5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 2 72.075 -5.464 -5.920 1.00 0.00 H new ATOM 0 HD2 TYR A 2 75.553 -3.703 -7.743 1.00 0.00 H new ATOM 0 HE1 TYR A 2 73.251 -7.642 -5.796 1.00 0.00 H new ATOM 0 HE2 TYR A 2 76.715 -5.887 -7.623 1.00 0.00 H new ATOM 0 HH TYR A 2 76.613 -8.024 -7.013 1.00 0.00 H new ATOM 41 N GLU A 3 70.416 -4.860 -7.662 1.00 0.00 N ATOM 42 CA GLU A 3 69.134 -5.414 -7.230 1.00 0.00 C ATOM 43 C GLU A 3 69.357 -6.597 -6.291 1.00 0.00 C ATOM 44 O GLU A 3 70.184 -7.466 -6.563 1.00 0.00 O ATOM 45 CB GLU A 3 68.330 -5.870 -8.452 1.00 0.00 C ATOM 46 CG GLU A 3 67.968 -4.656 -9.319 1.00 0.00 C ATOM 47 CD GLU A 3 67.186 -5.112 -10.546 1.00 0.00 C ATOM 48 OE1 GLU A 3 66.936 -6.301 -10.657 1.00 0.00 O ATOM 49 OE2 GLU A 3 66.851 -4.265 -11.359 1.00 0.00 O ATOM 0 H GLU A 3 71.091 -5.553 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 3 68.579 -4.642 -6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.911 -6.584 -9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 3 67.423 -6.383 -8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 3 67.374 -3.948 -8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 3 68.874 -4.134 -9.627 1.00 0.00 H new ATOM 56 N PHE A 4 68.610 -6.629 -5.183 1.00 0.00 N ATOM 57 CA PHE A 4 68.735 -7.724 -4.215 1.00 0.00 C ATOM 58 C PHE A 4 67.659 -8.770 -4.489 1.00 0.00 C ATOM 59 O PHE A 4 66.465 -8.509 -4.340 1.00 0.00 O ATOM 60 CB PHE A 4 68.618 -7.178 -2.772 1.00 0.00 C ATOM 61 CG PHE A 4 68.363 -8.299 -1.770 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.318 -9.313 -1.568 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.161 -8.327 -1.041 1.00 0.00 C ATOM 64 CE1 PHE A 4 69.068 -10.339 -0.651 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.919 -9.353 -0.122 1.00 0.00 C ATOM 66 CZ PHE A 4 67.870 -10.361 0.072 1.00 0.00 C ATOM 0 H PHE A 4 67.921 -5.919 -4.936 1.00 0.00 H new ATOM 0 HA PHE A 4 69.714 -8.192 -4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.535 -6.652 -2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.807 -6.452 -2.721 1.00 0.00 H new ATOM 0 HD1 PHE A 4 70.245 -9.299 -2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.422 -7.554 -1.191 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.802 -11.117 -0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 4 65.996 -9.367 0.439 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.680 -11.155 0.779 1.00 0.00 H new ATOM 76 N LYS A 5 68.101 -9.950 -4.913 1.00 0.00 N ATOM 77 CA LYS A 5 67.188 -11.048 -5.244 1.00 0.00 C ATOM 78 C LYS A 5 67.389 -12.228 -4.297 1.00 0.00 C ATOM 79 O LYS A 5 68.468 -12.407 -3.738 1.00 0.00 O ATOM 80 CB LYS A 5 67.447 -11.494 -6.691 1.00 0.00 C ATOM 81 CG LYS A 5 67.074 -10.358 -7.645 1.00 0.00 C ATOM 82 CD LYS A 5 67.354 -10.798 -9.083 1.00 0.00 C ATOM 83 CE LYS A 5 67.010 -9.662 -10.048 1.00 0.00 C ATOM 84 NZ LYS A 5 67.299 -10.095 -11.445 1.00 0.00 N ATOM 0 H LYS A 5 69.088 -10.174 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 5 66.161 -10.698 -5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 5 68.496 -11.762 -6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.860 -12.384 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 5 66.021 -10.100 -7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 5 67.649 -9.463 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 5 68.403 -11.074 -9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 5 66.765 -11.683 -9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 5 65.959 -9.392 -9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 5 67.592 -8.773 -9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 67.066 -9.324 -12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 68.308 -10.332 -11.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 66.725 -10.931 -11.675 1.00 0.00 H new ATOM 98 N LEU A 6 66.328 -13.023 -4.125 1.00 0.00 N ATOM 99 CA LEU A 6 66.365 -14.202 -3.248 1.00 0.00 C ATOM 100 C LEU A 6 66.492 -15.482 -4.097 1.00 0.00 C ATOM 101 O LEU A 6 65.482 -16.036 -4.529 1.00 0.00 O ATOM 102 CB LEU A 6 65.063 -14.262 -2.423 1.00 0.00 C ATOM 103 CG LEU A 6 65.266 -15.074 -1.136 1.00 0.00 C ATOM 104 CD1 LEU A 6 63.923 -15.223 -0.416 1.00 0.00 C ATOM 105 CD2 LEU A 6 65.815 -16.469 -1.461 1.00 0.00 C ATOM 0 H LEU A 6 65.429 -12.872 -4.583 1.00 0.00 H new ATOM 0 HA LEU A 6 67.223 -14.129 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.740 -13.252 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.270 -14.712 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 6 65.980 -14.550 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 6 64.063 -15.799 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 6 63.532 -14.236 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.217 -15.740 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 6 65.953 -17.030 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 6 65.111 -16.996 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 6 66.772 -16.373 -1.973 1.00 0.00 H new ATOM 117 N PRO A 7 67.690 -15.974 -4.355 1.00 0.00 N ATOM 118 CA PRO A 7 67.867 -17.210 -5.176 1.00 0.00 C ATOM 119 C PRO A 7 67.507 -18.471 -4.395 1.00 0.00 C ATOM 120 O PRO A 7 67.601 -18.500 -3.167 1.00 0.00 O ATOM 121 CB PRO A 7 69.349 -17.170 -5.558 1.00 0.00 C ATOM 122 CG PRO A 7 70.008 -16.478 -4.413 1.00 0.00 C ATOM 123 CD PRO A 7 68.995 -15.445 -3.905 1.00 0.00 C ATOM 0 HA PRO A 7 67.210 -17.239 -6.045 1.00 0.00 H new ATOM 0 HB2 PRO A 7 69.750 -18.174 -5.700 1.00 0.00 H new ATOM 0 HB3 PRO A 7 69.504 -16.630 -6.492 1.00 0.00 H new ATOM 0 HG2 PRO A 7 70.270 -17.187 -3.627 1.00 0.00 H new ATOM 0 HG3 PRO A 7 70.933 -15.995 -4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.034 -15.348 -2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.190 -14.456 -4.321 1.00 0.00 H new ATOM 131 N ASP A 8 67.089 -19.507 -5.113 1.00 0.00 N ATOM 132 CA ASP A 8 66.712 -20.759 -4.473 1.00 0.00 C ATOM 133 C ASP A 8 67.936 -21.434 -3.854 1.00 0.00 C ATOM 134 O ASP A 8 69.007 -21.471 -4.459 1.00 0.00 O ATOM 135 CB ASP A 8 66.072 -21.696 -5.509 1.00 0.00 C ATOM 136 CG ASP A 8 64.621 -21.295 -5.775 1.00 0.00 C ATOM 137 OD1 ASP A 8 64.119 -20.444 -5.061 1.00 0.00 O ATOM 138 OD2 ASP A 8 64.033 -21.850 -6.687 1.00 0.00 O ATOM 0 H ASP A 8 67.003 -19.505 -6.129 1.00 0.00 H new ATOM 0 HA ASP A 8 65.994 -20.545 -3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 8 66.640 -21.662 -6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 8 66.111 -22.724 -5.150 1.00 0.00 H new ATOM 143 N ILE A 9 67.769 -21.970 -2.645 1.00 0.00 N ATOM 144 CA ILE A 9 68.863 -22.649 -1.946 1.00 0.00 C ATOM 145 C ILE A 9 68.367 -23.958 -1.338 1.00 0.00 C ATOM 146 O ILE A 9 67.181 -24.102 -1.044 1.00 0.00 O ATOM 147 CB ILE A 9 69.425 -21.736 -0.849 1.00 0.00 C ATOM 148 CG1 ILE A 9 68.322 -21.389 0.160 1.00 0.00 C ATOM 149 CG2 ILE A 9 69.943 -20.442 -1.479 1.00 0.00 C ATOM 150 CD1 ILE A 9 68.918 -20.557 1.300 1.00 0.00 C ATOM 0 H ILE A 9 66.889 -21.948 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 9 69.655 -22.875 -2.660 1.00 0.00 H new ATOM 0 HB ILE A 9 70.237 -22.254 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 9 67.525 -20.832 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 9 67.876 -22.301 0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 9 70.343 -19.793 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.730 -20.676 -2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 9 69.126 -19.934 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.136 -20.310 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 9 69.700 -21.130 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 9 69.343 -19.638 0.896 1.00 0.00 H new ATOM 162 N GLY A 10 69.276 -24.911 -1.162 1.00 0.00 N ATOM 163 CA GLY A 10 68.903 -26.201 -0.593 1.00 0.00 C ATOM 164 C GLY A 10 67.831 -26.872 -1.446 1.00 0.00 C ATOM 165 O GLY A 10 67.969 -26.970 -2.665 1.00 0.00 O ATOM 0 H GLY A 10 70.263 -24.817 -1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 10 69.781 -26.844 -0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 10 68.534 -26.064 0.423 1.00 0.00 H new ATOM 169 N GLU A 11 66.766 -27.334 -0.797 1.00 0.00 N ATOM 170 CA GLU A 11 65.678 -27.997 -1.506 1.00 0.00 C ATOM 171 C GLU A 11 64.415 -28.013 -0.645 1.00 0.00 C ATOM 172 O GLU A 11 64.491 -27.972 0.582 1.00 0.00 O ATOM 173 CB GLU A 11 66.083 -29.433 -1.855 1.00 0.00 C ATOM 174 CG GLU A 11 64.961 -30.114 -2.642 1.00 0.00 C ATOM 175 CD GLU A 11 65.404 -31.505 -3.083 1.00 0.00 C ATOM 176 OE1 GLU A 11 66.417 -31.969 -2.587 1.00 0.00 O ATOM 177 OE2 GLU A 11 64.727 -32.085 -3.918 1.00 0.00 O ATOM 0 H GLU A 11 66.634 -27.262 0.212 1.00 0.00 H new ATOM 0 HA GLU A 11 65.472 -27.446 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 11 67.001 -29.429 -2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 11 66.291 -29.993 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 11 64.065 -30.187 -2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 11 64.700 -29.513 -3.513 1.00 0.00 H new ATOM 184 N GLY A 12 63.257 -28.083 -1.298 1.00 0.00 N ATOM 185 CA GLY A 12 61.986 -28.115 -0.579 1.00 0.00 C ATOM 186 C GLY A 12 61.510 -26.705 -0.247 1.00 0.00 C ATOM 187 O GLY A 12 61.320 -26.361 0.921 1.00 0.00 O ATOM 0 H GLY A 12 63.172 -28.118 -2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 12 61.235 -28.623 -1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 12 62.098 -28.690 0.340 1.00 0.00 H new ATOM 191 N VAL A 13 61.305 -25.894 -1.286 1.00 0.00 N ATOM 192 CA VAL A 13 60.835 -24.513 -1.113 1.00 0.00 C ATOM 193 C VAL A 13 59.594 -24.282 -1.973 1.00 0.00 C ATOM 194 O VAL A 13 59.572 -24.623 -3.154 1.00 0.00 O ATOM 195 CB VAL A 13 61.952 -23.526 -1.498 1.00 0.00 C ATOM 196 CG1 VAL A 13 61.383 -22.104 -1.582 1.00 0.00 C ATOM 197 CG2 VAL A 13 63.058 -23.565 -0.433 1.00 0.00 C ATOM 0 H VAL A 13 61.456 -26.167 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 13 60.573 -24.347 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 13 62.362 -23.810 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 13 62.178 -21.410 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 13 60.597 -22.071 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 13 60.969 -21.820 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 13 63.849 -22.867 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 13 62.642 -23.283 0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 13 63.469 -24.573 -0.372 1.00 0.00 H new ATOM 207 N THR A 14 58.553 -23.712 -1.363 1.00 0.00 N ATOM 208 CA THR A 14 57.294 -23.449 -2.067 1.00 0.00 C ATOM 209 C THR A 14 57.118 -21.957 -2.358 1.00 0.00 C ATOM 210 O THR A 14 56.900 -21.570 -3.505 1.00 0.00 O ATOM 211 CB THR A 14 56.122 -23.958 -1.213 1.00 0.00 C ATOM 212 OG1 THR A 14 56.345 -23.594 0.142 1.00 0.00 O ATOM 213 CG2 THR A 14 56.020 -25.483 -1.326 1.00 0.00 C ATOM 0 H THR A 14 58.556 -23.424 -0.385 1.00 0.00 H new ATOM 0 HA THR A 14 57.315 -23.974 -3.022 1.00 0.00 H new ATOM 0 HB THR A 14 55.192 -23.513 -1.567 1.00 0.00 H new ATOM 0 HG1 THR A 14 55.601 -23.914 0.693 1.00 0.00 H new ATOM 0 HG21 THR A 14 55.188 -25.838 -0.719 1.00 0.00 H new ATOM 0 HG22 THR A 14 55.854 -25.760 -2.367 1.00 0.00 H new ATOM 0 HG23 THR A 14 56.946 -25.937 -0.973 1.00 0.00 H new ATOM 221 N GLU A 15 57.207 -21.118 -1.322 1.00 0.00 N ATOM 222 CA GLU A 15 57.047 -19.668 -1.503 1.00 0.00 C ATOM 223 C GLU A 15 57.986 -18.905 -0.569 1.00 0.00 C ATOM 224 O GLU A 15 58.411 -19.438 0.455 1.00 0.00 O ATOM 225 CB GLU A 15 55.595 -19.246 -1.228 1.00 0.00 C ATOM 226 CG GLU A 15 54.665 -19.851 -2.287 1.00 0.00 C ATOM 227 CD GLU A 15 53.214 -19.494 -1.980 1.00 0.00 C ATOM 228 OE1 GLU A 15 52.979 -18.866 -0.964 1.00 0.00 O ATOM 229 OE2 GLU A 15 52.357 -19.858 -2.769 1.00 0.00 O ATOM 0 H GLU A 15 57.386 -21.410 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 15 57.298 -19.427 -2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 15 55.293 -19.577 -0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 15 55.515 -18.159 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 15 54.937 -19.480 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 15 54.784 -20.934 -2.309 1.00 0.00 H new ATOM 236 N GLY A 16 58.305 -17.652 -0.912 1.00 0.00 N ATOM 237 CA GLY A 16 59.189 -16.844 -0.072 1.00 0.00 C ATOM 238 C GLY A 16 58.365 -16.063 0.942 1.00 0.00 C ATOM 239 O GLY A 16 57.248 -15.657 0.643 1.00 0.00 O ATOM 0 H GLY A 16 57.969 -17.183 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 16 59.903 -17.486 0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 16 59.767 -16.157 -0.691 1.00 0.00 H new ATOM 243 N GLU A 17 58.903 -15.857 2.146 1.00 0.00 N ATOM 244 CA GLU A 17 58.170 -15.120 3.178 1.00 0.00 C ATOM 245 C GLU A 17 59.120 -14.292 4.037 1.00 0.00 C ATOM 246 O GLU A 17 60.196 -14.754 4.422 1.00 0.00 O ATOM 247 CB GLU A 17 57.400 -16.102 4.066 1.00 0.00 C ATOM 248 CG GLU A 17 56.571 -15.334 5.101 1.00 0.00 C ATOM 249 CD GLU A 17 55.759 -16.313 5.941 1.00 0.00 C ATOM 250 OE1 GLU A 17 55.614 -17.448 5.515 1.00 0.00 O ATOM 251 OE2 GLU A 17 55.299 -15.919 6.999 1.00 0.00 O ATOM 0 H GLU A 17 59.827 -16.184 2.428 1.00 0.00 H new ATOM 0 HA GLU A 17 57.472 -14.444 2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 17 56.747 -16.724 3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.096 -16.772 4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.227 -14.747 5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.905 -14.632 4.599 1.00 0.00 H new ATOM 258 N ILE A 18 58.701 -13.066 4.340 1.00 0.00 N ATOM 259 CA ILE A 18 59.495 -12.152 5.165 1.00 0.00 C ATOM 260 C ILE A 18 58.972 -12.134 6.597 1.00 0.00 C ATOM 261 O ILE A 18 57.805 -11.824 6.834 1.00 0.00 O ATOM 262 CB ILE A 18 59.422 -10.740 4.557 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.292 -10.670 3.285 1.00 0.00 C ATOM 264 CG2 ILE A 18 59.884 -9.682 5.568 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.774 -10.429 3.638 1.00 0.00 C ATOM 0 H ILE A 18 57.811 -12.679 4.026 1.00 0.00 H new ATOM 0 HA ILE A 18 60.531 -12.491 5.186 1.00 0.00 H new ATOM 0 HB ILE A 18 58.384 -10.532 4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.195 -11.599 2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.934 -9.868 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 18 59.823 -8.693 5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.243 -9.717 6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 18 60.914 -9.884 5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.364 -10.384 2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.871 -9.487 4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.136 -11.245 4.263 1.00 0.00 H new ATOM 277 N VAL A 19 59.841 -12.465 7.552 1.00 0.00 N ATOM 278 CA VAL A 19 59.444 -12.473 8.954 1.00 0.00 C ATOM 279 C VAL A 19 59.689 -11.109 9.608 1.00 0.00 C ATOM 280 O VAL A 19 58.831 -10.618 10.342 1.00 0.00 O ATOM 281 CB VAL A 19 60.201 -13.568 9.713 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.675 -13.180 9.861 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.570 -13.765 11.097 1.00 0.00 C ATOM 0 H VAL A 19 60.812 -12.728 7.381 1.00 0.00 H new ATOM 0 HA VAL A 19 58.375 -12.682 9.000 1.00 0.00 H new ATOM 0 HB VAL A 19 60.138 -14.501 9.153 1.00 0.00 H new ATOM 0 HG11 VAL A 19 62.205 -13.964 10.402 1.00 0.00 H new ATOM 0 HG12 VAL A 19 62.119 -13.056 8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.751 -12.243 10.413 1.00 0.00 H new ATOM 0 HG21 VAL A 19 60.110 -14.544 11.635 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.625 -12.832 11.658 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.527 -14.059 10.983 1.00 0.00 H new ATOM 293 N ARG A 20 60.859 -10.494 9.363 1.00 0.00 N ATOM 294 CA ARG A 20 61.161 -9.187 9.976 1.00 0.00 C ATOM 295 C ARG A 20 61.958 -8.263 9.049 1.00 0.00 C ATOM 296 O ARG A 20 62.803 -8.708 8.273 1.00 0.00 O ATOM 297 CB ARG A 20 61.960 -9.393 11.271 1.00 0.00 C ATOM 298 CG ARG A 20 61.055 -9.984 12.355 1.00 0.00 C ATOM 299 CD ARG A 20 61.876 -10.270 13.613 1.00 0.00 C ATOM 300 NE ARG A 20 62.797 -11.376 13.380 1.00 0.00 N ATOM 301 CZ ARG A 20 63.634 -11.774 14.333 1.00 0.00 C ATOM 302 NH1 ARG A 20 63.638 -11.162 15.485 1.00 0.00 N ATOM 303 NH2 ARG A 20 64.450 -12.770 14.119 1.00 0.00 N ATOM 0 H ARG A 20 61.594 -10.867 8.762 1.00 0.00 H new ATOM 0 HA ARG A 20 60.203 -8.709 10.179 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.803 -10.059 11.086 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.373 -8.442 11.609 1.00 0.00 H new ATOM 0 HG2 ARG A 20 60.247 -9.290 12.586 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.592 -10.903 11.995 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.434 -9.379 13.901 1.00 0.00 H new ATOM 0 HD3 ARG A 20 61.211 -10.511 14.442 1.00 0.00 H new ATOM 0 HE ARG A 20 62.799 -11.849 12.476 1.00 0.00 H new ATOM 0 HH11 ARG A 20 63.001 -10.383 15.651 1.00 0.00 H new ATOM 0 HH12 ARG A 20 64.278 -11.463 16.220 1.00 0.00 H new ATOM 0 HH21 ARG A 20 64.447 -13.247 13.217 1.00 0.00 H new ATOM 0 HH22 ARG A 20 65.090 -13.072 14.853 1.00 0.00 H new ATOM 317 N TRP A 21 61.714 -6.954 9.203 1.00 0.00 N ATOM 318 CA TRP A 21 62.434 -5.913 8.453 1.00 0.00 C ATOM 319 C TRP A 21 63.165 -5.036 9.474 1.00 0.00 C ATOM 320 O TRP A 21 62.639 -4.795 10.562 1.00 0.00 O ATOM 321 CB TRP A 21 61.472 -5.007 7.646 1.00 0.00 C ATOM 322 CG TRP A 21 61.023 -5.622 6.347 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.732 -5.872 6.041 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.804 -6.009 5.161 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.661 -6.398 4.766 1.00 0.00 N ATOM 326 CE2 TRP A 21 60.908 -6.501 4.181 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.177 -5.990 4.842 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.351 -6.951 2.937 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.626 -6.443 3.589 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.715 -6.922 2.639 1.00 0.00 C ATOM 0 H TRP A 21 61.015 -6.587 9.848 1.00 0.00 H new ATOM 0 HA TRP A 21 63.113 -6.396 7.750 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.597 -4.784 8.256 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.966 -4.058 7.439 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.889 -5.690 6.690 1.00 0.00 H new ATOM 0 HE1 TRP A 21 58.792 -6.677 4.311 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.890 -5.624 5.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.643 -7.319 2.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.681 -6.421 3.357 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.067 -7.268 1.678 1.00 0.00 H new ATOM 341 N ASP A 22 64.369 -4.564 9.140 1.00 0.00 N ATOM 342 CA ASP A 22 65.134 -3.715 10.070 1.00 0.00 C ATOM 343 C ASP A 22 65.598 -2.429 9.390 1.00 0.00 C ATOM 344 O ASP A 22 66.495 -1.745 9.885 1.00 0.00 O ATOM 345 CB ASP A 22 66.342 -4.491 10.611 1.00 0.00 C ATOM 346 CG ASP A 22 65.889 -5.468 11.692 1.00 0.00 C ATOM 347 OD1 ASP A 22 65.173 -6.400 11.362 1.00 0.00 O ATOM 348 OD2 ASP A 22 66.255 -5.264 12.838 1.00 0.00 O ATOM 0 H ASP A 22 64.832 -4.748 8.250 1.00 0.00 H new ATOM 0 HA ASP A 22 64.480 -3.441 10.898 1.00 0.00 H new ATOM 0 HB2 ASP A 22 66.830 -5.032 9.801 1.00 0.00 H new ATOM 0 HB3 ASP A 22 67.077 -3.798 11.020 1.00 0.00 H new ATOM 353 N VAL A 23 64.964 -2.088 8.270 1.00 0.00 N ATOM 354 CA VAL A 23 65.298 -0.863 7.539 1.00 0.00 C ATOM 355 C VAL A 23 64.018 -0.146 7.126 1.00 0.00 C ATOM 356 O VAL A 23 62.950 -0.756 7.066 1.00 0.00 O ATOM 357 CB VAL A 23 66.123 -1.201 6.297 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.378 -1.977 6.712 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.285 -2.059 5.348 1.00 0.00 C ATOM 0 H VAL A 23 64.217 -2.640 7.848 1.00 0.00 H new ATOM 0 HA VAL A 23 65.884 -0.212 8.188 1.00 0.00 H new ATOM 0 HB VAL A 23 66.416 -0.280 5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 23 67.966 -2.218 5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.975 -1.367 7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.086 -2.899 7.215 1.00 0.00 H new ATOM 0 HG21 VAL A 23 65.872 -2.301 4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 23 64.993 -2.980 5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.392 -1.508 5.052 1.00 0.00 H new ATOM 369 N LYS A 24 64.127 1.152 6.844 1.00 0.00 N ATOM 370 CA LYS A 24 62.970 1.954 6.439 1.00 0.00 C ATOM 371 C LYS A 24 63.255 2.673 5.125 1.00 0.00 C ATOM 372 O LYS A 24 64.373 3.129 4.885 1.00 0.00 O ATOM 373 CB LYS A 24 62.651 2.979 7.527 1.00 0.00 C ATOM 374 CG LYS A 24 62.210 2.250 8.797 1.00 0.00 C ATOM 375 CD LYS A 24 61.916 3.271 9.898 1.00 0.00 C ATOM 376 CE LYS A 24 61.438 2.540 11.154 1.00 0.00 C ATOM 377 NZ LYS A 24 61.123 3.533 12.220 1.00 0.00 N ATOM 0 H LYS A 24 65.004 1.671 6.888 1.00 0.00 H new ATOM 0 HA LYS A 24 62.115 1.292 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.528 3.593 7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.863 3.652 7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 24 61.322 1.652 8.595 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.990 1.562 9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 24 62.812 3.851 10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 24 61.155 3.976 9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 24 60.555 1.943 10.926 1.00 0.00 H new ATOM 0 HE3 LYS A 24 62.208 1.850 11.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 60.798 3.035 13.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 61.976 4.084 12.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 60.375 4.174 11.887 1.00 0.00 H new ATOM 391 N GLU A 25 62.236 2.762 4.277 1.00 0.00 N ATOM 392 CA GLU A 25 62.382 3.419 2.981 1.00 0.00 C ATOM 393 C GLU A 25 62.738 4.894 3.150 1.00 0.00 C ATOM 394 O GLU A 25 62.174 5.591 3.994 1.00 0.00 O ATOM 395 CB GLU A 25 61.084 3.284 2.177 1.00 0.00 C ATOM 396 CG GLU A 25 59.905 3.799 3.005 1.00 0.00 C ATOM 397 CD GLU A 25 58.623 3.743 2.182 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.705 3.944 0.981 1.00 0.00 O ATOM 399 OE2 GLU A 25 57.577 3.507 2.762 1.00 0.00 O ATOM 0 H GLU A 25 61.304 2.390 4.461 1.00 0.00 H new ATOM 0 HA GLU A 25 63.194 2.932 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.161 3.848 1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.921 2.241 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.794 3.197 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.096 4.823 3.326 1.00 0.00 H new ATOM 406 N GLY A 26 63.680 5.369 2.334 1.00 0.00 N ATOM 407 CA GLY A 26 64.102 6.769 2.394 1.00 0.00 C ATOM 408 C GLY A 26 65.238 6.976 3.391 1.00 0.00 C ATOM 409 O GLY A 26 65.618 8.113 3.672 1.00 0.00 O ATOM 0 H GLY A 26 64.162 4.810 1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.423 7.095 1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.253 7.393 2.675 1.00 0.00 H new ATOM 413 N ASP A 27 65.773 5.880 3.934 1.00 0.00 N ATOM 414 CA ASP A 27 66.866 5.962 4.914 1.00 0.00 C ATOM 415 C ASP A 27 68.150 5.348 4.358 1.00 0.00 C ATOM 416 O ASP A 27 68.118 4.338 3.654 1.00 0.00 O ATOM 417 CB ASP A 27 66.456 5.238 6.198 1.00 0.00 C ATOM 418 CG ASP A 27 67.479 5.485 7.303 1.00 0.00 C ATOM 419 OD1 ASP A 27 68.577 5.909 6.987 1.00 0.00 O ATOM 420 OD2 ASP A 27 67.146 5.251 8.453 1.00 0.00 O ATOM 0 H ASP A 27 65.472 4.930 3.716 1.00 0.00 H new ATOM 0 HA ASP A 27 67.059 7.013 5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.474 5.585 6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.370 4.168 6.007 1.00 0.00 H new ATOM 425 N MET A 28 69.276 5.972 4.688 1.00 0.00 N ATOM 426 CA MET A 28 70.583 5.500 4.231 1.00 0.00 C ATOM 427 C MET A 28 71.059 4.333 5.092 1.00 0.00 C ATOM 428 O MET A 28 70.677 4.215 6.256 1.00 0.00 O ATOM 429 CB MET A 28 71.599 6.648 4.288 1.00 0.00 C ATOM 430 CG MET A 28 71.194 7.721 3.278 1.00 0.00 C ATOM 431 SD MET A 28 72.296 9.149 3.434 1.00 0.00 S ATOM 432 CE MET A 28 73.820 8.331 2.897 1.00 0.00 C ATOM 0 H MET A 28 69.312 6.808 5.271 1.00 0.00 H new ATOM 0 HA MET A 28 70.492 5.155 3.201 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.634 7.070 5.292 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.599 6.277 4.063 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.244 7.319 2.266 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.162 8.025 3.450 1.00 0.00 H new ATOM 0 HE1 MET A 28 74.509 9.074 2.495 1.00 0.00 H new ATOM 0 HE2 MET A 28 74.282 7.829 3.747 1.00 0.00 H new ATOM 0 HE3 MET A 28 73.587 7.598 2.125 1.00 0.00 H new ATOM 442 N VAL A 29 71.883 3.458 4.505 1.00 0.00 N ATOM 443 CA VAL A 29 72.400 2.286 5.216 1.00 0.00 C ATOM 444 C VAL A 29 73.921 2.238 5.124 1.00 0.00 C ATOM 445 O VAL A 29 74.518 2.866 4.249 1.00 0.00 O ATOM 446 CB VAL A 29 71.825 1.011 4.592 1.00 0.00 C ATOM 447 CG1 VAL A 29 72.196 -0.198 5.454 1.00 0.00 C ATOM 448 CG2 VAL A 29 70.302 1.123 4.503 1.00 0.00 C ATOM 0 H VAL A 29 72.205 3.540 3.541 1.00 0.00 H new ATOM 0 HA VAL A 29 72.104 2.356 6.263 1.00 0.00 H new ATOM 0 HB VAL A 29 72.239 0.884 3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.785 -1.103 5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 29 73.281 -0.283 5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 29 71.786 -0.070 6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 29 69.896 0.214 4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 29 69.888 1.255 5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 29 70.036 1.980 3.884 1.00 0.00 H new ATOM 458 N GLU A 30 74.544 1.480 6.029 1.00 0.00 N ATOM 459 CA GLU A 30 76.004 1.331 6.049 1.00 0.00 C ATOM 460 C GLU A 30 76.377 -0.147 5.953 1.00 0.00 C ATOM 461 O GLU A 30 75.609 -1.016 6.365 1.00 0.00 O ATOM 462 CB GLU A 30 76.579 1.919 7.342 1.00 0.00 C ATOM 463 CG GLU A 30 76.348 3.433 7.377 1.00 0.00 C ATOM 464 CD GLU A 30 77.131 4.111 6.256 1.00 0.00 C ATOM 465 OE1 GLU A 30 78.075 3.509 5.775 1.00 0.00 O ATOM 466 OE2 GLU A 30 76.773 5.219 5.896 1.00 0.00 O ATOM 0 H GLU A 30 74.060 0.958 6.760 1.00 0.00 H new ATOM 0 HA GLU A 30 76.421 1.867 5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.107 1.451 8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.646 1.704 7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 30 75.285 3.649 7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 30 76.659 3.834 8.342 1.00 0.00 H new ATOM 473 N LYS A 31 77.553 -0.425 5.397 1.00 0.00 N ATOM 474 CA LYS A 31 78.004 -1.807 5.238 1.00 0.00 C ATOM 475 C LYS A 31 78.058 -2.528 6.582 1.00 0.00 C ATOM 476 O LYS A 31 79.086 -2.522 7.259 1.00 0.00 O ATOM 477 CB LYS A 31 79.388 -1.842 4.589 1.00 0.00 C ATOM 478 CG LYS A 31 79.799 -3.298 4.352 1.00 0.00 C ATOM 479 CD LYS A 31 81.104 -3.352 3.544 1.00 0.00 C ATOM 480 CE LYS A 31 82.290 -2.938 4.422 1.00 0.00 C ATOM 481 NZ LYS A 31 83.563 -3.324 3.751 1.00 0.00 N ATOM 0 H LYS A 31 78.206 0.279 5.052 1.00 0.00 H new ATOM 0 HA LYS A 31 77.286 -2.318 4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 31 79.373 -1.298 3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 31 80.116 -1.346 5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.932 -3.807 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 31 79.009 -3.825 3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 31 81.261 -4.360 3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.033 -2.690 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 31 82.270 -1.862 4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 31 82.220 -3.420 5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 84.368 -3.043 4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 83.581 -4.354 3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 83.629 -2.845 2.830 1.00 0.00 H new ATOM 495 N ASP A 32 76.948 -3.166 6.941 1.00 0.00 N ATOM 496 CA ASP A 32 76.858 -3.917 8.198 1.00 0.00 C ATOM 497 C ASP A 32 75.485 -4.558 8.326 1.00 0.00 C ATOM 498 O ASP A 32 74.464 -3.912 8.082 1.00 0.00 O ATOM 499 CB ASP A 32 77.107 -3.000 9.409 1.00 0.00 C ATOM 500 CG ASP A 32 77.068 -3.812 10.700 1.00 0.00 C ATOM 501 OD1 ASP A 32 76.619 -4.946 10.654 1.00 0.00 O ATOM 502 OD2 ASP A 32 77.502 -3.291 11.714 1.00 0.00 O ATOM 0 H ASP A 32 76.095 -3.180 6.382 1.00 0.00 H new ATOM 0 HA ASP A 32 77.625 -4.691 8.182 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.074 -2.508 9.309 1.00 0.00 H new ATOM 0 HB3 ASP A 32 76.352 -2.215 9.441 1.00 0.00 H new ATOM 507 N GLN A 33 75.465 -5.830 8.707 1.00 0.00 N ATOM 508 CA GLN A 33 74.206 -6.546 8.857 1.00 0.00 C ATOM 509 C GLN A 33 73.181 -5.687 9.608 1.00 0.00 C ATOM 510 O GLN A 33 73.444 -5.213 10.712 1.00 0.00 O ATOM 511 CB GLN A 33 74.435 -7.884 9.587 1.00 0.00 C ATOM 512 CG GLN A 33 74.589 -7.668 11.103 1.00 0.00 C ATOM 513 CD GLN A 33 73.220 -7.569 11.770 1.00 0.00 C ATOM 514 OE1 GLN A 33 72.325 -8.357 11.472 1.00 0.00 O ATOM 515 NE2 GLN A 33 73.006 -6.646 12.665 1.00 0.00 N ATOM 0 H GLN A 33 76.298 -6.381 8.916 1.00 0.00 H new ATOM 0 HA GLN A 33 73.808 -6.758 7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 33 73.597 -8.555 9.395 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.328 -8.369 9.193 1.00 0.00 H new ATOM 0 HG2 GLN A 33 75.154 -8.493 11.538 1.00 0.00 H new ATOM 0 HG3 GLN A 33 75.158 -6.758 11.291 1.00 0.00 H new ATOM 0 HE21 GLN A 33 73.749 -5.993 12.912 1.00 0.00 H new ATOM 0 HE22 GLN A 33 72.095 -6.577 13.119 1.00 0.00 H new ATOM 524 N ASP A 34 72.009 -5.486 8.996 1.00 0.00 N ATOM 525 CA ASP A 34 70.949 -4.688 9.608 1.00 0.00 C ATOM 526 C ASP A 34 69.978 -5.598 10.342 1.00 0.00 C ATOM 527 O ASP A 34 68.919 -5.164 10.781 1.00 0.00 O ATOM 528 CB ASP A 34 70.198 -3.907 8.529 1.00 0.00 C ATOM 529 CG ASP A 34 71.109 -2.845 7.926 1.00 0.00 C ATOM 530 OD1 ASP A 34 72.175 -2.622 8.475 1.00 0.00 O ATOM 531 OD2 ASP A 34 70.725 -2.271 6.922 1.00 0.00 O ATOM 0 H ASP A 34 71.774 -5.866 8.079 1.00 0.00 H new ATOM 0 HA ASP A 34 71.395 -3.989 10.315 1.00 0.00 H new ATOM 0 HB2 ASP A 34 69.853 -4.587 7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 34 69.313 -3.438 8.958 1.00 0.00 H new ATOM 536 N LEU A 35 70.358 -6.864 10.462 1.00 0.00 N ATOM 537 CA LEU A 35 69.532 -7.859 11.136 1.00 0.00 C ATOM 538 C LEU A 35 68.215 -8.043 10.391 1.00 0.00 C ATOM 539 O LEU A 35 67.158 -7.608 10.846 1.00 0.00 O ATOM 540 CB LEU A 35 69.265 -7.432 12.582 1.00 0.00 C ATOM 541 CG LEU A 35 68.545 -8.554 13.340 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.476 -9.766 13.537 1.00 0.00 C ATOM 543 CD2 LEU A 35 68.094 -8.024 14.705 1.00 0.00 C ATOM 0 H LEU A 35 71.239 -7.228 10.099 1.00 0.00 H new ATOM 0 HA LEU A 35 70.066 -8.809 11.143 1.00 0.00 H new ATOM 0 HB2 LEU A 35 70.206 -7.193 13.078 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.659 -6.526 12.596 1.00 0.00 H new ATOM 0 HG LEU A 35 67.681 -8.877 12.759 1.00 0.00 H new ATOM 0 HD11 LEU A 35 68.944 -10.549 14.077 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.791 -10.145 12.565 1.00 0.00 H new ATOM 0 HD13 LEU A 35 70.353 -9.462 14.109 1.00 0.00 H new ATOM 0 HD21 LEU A 35 67.581 -8.815 15.251 1.00 0.00 H new ATOM 0 HD22 LEU A 35 68.964 -7.696 15.274 1.00 0.00 H new ATOM 0 HD23 LEU A 35 67.416 -7.183 14.563 1.00 0.00 H new ATOM 555 N VAL A 36 68.293 -8.715 9.246 1.00 0.00 N ATOM 556 CA VAL A 36 67.112 -8.997 8.421 1.00 0.00 C ATOM 557 C VAL A 36 66.946 -10.512 8.358 1.00 0.00 C ATOM 558 O VAL A 36 67.921 -11.236 8.159 1.00 0.00 O ATOM 559 CB VAL A 36 67.271 -8.375 6.990 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.456 -7.403 6.988 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.525 -9.460 5.924 1.00 0.00 C ATOM 0 H VAL A 36 69.166 -9.078 8.863 1.00 0.00 H new ATOM 0 HA VAL A 36 66.222 -8.545 8.858 1.00 0.00 H new ATOM 0 HB VAL A 36 66.343 -7.858 6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 36 68.569 -6.969 5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 36 68.276 -6.609 7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.367 -7.939 7.256 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.630 -8.991 4.946 1.00 0.00 H new ATOM 0 HG22 VAL A 36 68.439 -10.002 6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 36 66.686 -10.155 5.905 1.00 0.00 H new ATOM 571 N GLU A 37 65.719 -10.991 8.543 1.00 0.00 N ATOM 572 CA GLU A 37 65.455 -12.432 8.510 1.00 0.00 C ATOM 573 C GLU A 37 64.482 -12.780 7.404 1.00 0.00 C ATOM 574 O GLU A 37 63.486 -12.092 7.181 1.00 0.00 O ATOM 575 CB GLU A 37 64.906 -12.899 9.855 1.00 0.00 C ATOM 576 CG GLU A 37 66.016 -12.848 10.903 1.00 0.00 C ATOM 577 CD GLU A 37 67.082 -13.899 10.608 1.00 0.00 C ATOM 578 OE1 GLU A 37 66.772 -14.852 9.912 1.00 0.00 O ATOM 579 OE2 GLU A 37 68.194 -13.732 11.082 1.00 0.00 O ATOM 0 H GLU A 37 64.897 -10.412 8.716 1.00 0.00 H new ATOM 0 HA GLU A 37 66.396 -12.944 8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 37 64.074 -12.265 10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.519 -13.914 9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.468 -11.856 10.913 1.00 0.00 H new ATOM 0 HG3 GLU A 37 65.596 -13.017 11.894 1.00 0.00 H new ATOM 586 N VAL A 38 64.792 -13.869 6.717 1.00 0.00 N ATOM 587 CA VAL A 38 63.966 -14.358 5.616 1.00 0.00 C ATOM 588 C VAL A 38 63.725 -15.851 5.792 1.00 0.00 C ATOM 589 O VAL A 38 64.665 -16.626 5.995 1.00 0.00 O ATOM 590 CB VAL A 38 64.654 -14.065 4.267 1.00 0.00 C ATOM 591 CG1 VAL A 38 66.132 -14.457 4.331 1.00 0.00 C ATOM 592 CG2 VAL A 38 63.994 -14.851 3.126 1.00 0.00 C ATOM 0 H VAL A 38 65.618 -14.438 6.903 1.00 0.00 H new ATOM 0 HA VAL A 38 63.005 -13.844 5.622 1.00 0.00 H new ATOM 0 HB VAL A 38 64.554 -12.997 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 38 66.606 -14.245 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 38 66.627 -13.884 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 38 66.217 -15.521 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 38 64.500 -14.624 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 38 64.068 -15.919 3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 38 62.944 -14.569 3.049 1.00 0.00 H new ATOM 602 N MET A 39 62.457 -16.249 5.723 1.00 0.00 N ATOM 603 CA MET A 39 62.092 -17.656 5.877 1.00 0.00 C ATOM 604 C MET A 39 61.824 -18.272 4.511 1.00 0.00 C ATOM 605 O MET A 39 60.823 -17.965 3.865 1.00 0.00 O ATOM 606 CB MET A 39 60.836 -17.774 6.743 1.00 0.00 C ATOM 607 CG MET A 39 60.542 -19.248 7.016 1.00 0.00 C ATOM 608 SD MET A 39 59.111 -19.388 8.117 1.00 0.00 S ATOM 609 CE MET A 39 57.847 -18.804 6.961 1.00 0.00 C ATOM 0 H MET A 39 61.669 -15.622 5.562 1.00 0.00 H new ATOM 0 HA MET A 39 62.915 -18.185 6.358 1.00 0.00 H new ATOM 0 HB2 MET A 39 60.978 -17.240 7.683 1.00 0.00 H new ATOM 0 HB3 MET A 39 59.988 -17.311 6.238 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.345 -19.770 6.079 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.411 -19.725 7.470 1.00 0.00 H new ATOM 0 HE1 MET A 39 56.862 -19.105 7.317 1.00 0.00 H new ATOM 0 HE2 MET A 39 57.891 -17.717 6.892 1.00 0.00 H new ATOM 0 HE3 MET A 39 58.026 -19.238 5.977 1.00 0.00 H new ATOM 619 N THR A 40 62.725 -19.143 4.080 1.00 0.00 N ATOM 620 CA THR A 40 62.587 -19.802 2.787 1.00 0.00 C ATOM 621 C THR A 40 61.317 -20.647 2.759 1.00 0.00 C ATOM 622 O THR A 40 60.526 -20.565 1.819 1.00 0.00 O ATOM 623 CB THR A 40 63.810 -20.700 2.520 1.00 0.00 C ATOM 624 OG1 THR A 40 63.511 -22.035 2.907 1.00 0.00 O ATOM 625 CG2 THR A 40 65.010 -20.202 3.333 1.00 0.00 C ATOM 0 H THR A 40 63.558 -19.410 4.604 1.00 0.00 H new ATOM 0 HA THR A 40 62.524 -19.038 2.012 1.00 0.00 H new ATOM 0 HB THR A 40 64.051 -20.666 1.457 1.00 0.00 H new ATOM 0 HG1 THR A 40 63.339 -22.065 3.871 1.00 0.00 H new ATOM 0 HG21 THR A 40 65.871 -20.841 3.139 1.00 0.00 H new ATOM 0 HG22 THR A 40 65.246 -19.178 3.043 1.00 0.00 H new ATOM 0 HG23 THR A 40 64.767 -20.232 4.395 1.00 0.00 H new ATOM 633 N ASP A 41 61.135 -21.458 3.797 1.00 0.00 N ATOM 634 CA ASP A 41 59.953 -22.322 3.888 1.00 0.00 C ATOM 635 C ASP A 41 59.615 -22.605 5.347 1.00 0.00 C ATOM 636 O ASP A 41 58.458 -22.519 5.753 1.00 0.00 O ATOM 637 CB ASP A 41 60.219 -23.645 3.166 1.00 0.00 C ATOM 638 CG ASP A 41 61.493 -24.285 3.707 1.00 0.00 C ATOM 639 OD1 ASP A 41 62.285 -23.569 4.298 1.00 0.00 O ATOM 640 OD2 ASP A 41 61.660 -25.480 3.519 1.00 0.00 O ATOM 0 H ASP A 41 61.781 -21.538 4.582 1.00 0.00 H new ATOM 0 HA ASP A 41 59.113 -21.811 3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 41 59.375 -24.321 3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 41 60.316 -23.471 2.094 1.00 0.00 H new ATOM 645 N LYS A 42 60.640 -22.942 6.127 1.00 0.00 N ATOM 646 CA LYS A 42 60.449 -23.237 7.548 1.00 0.00 C ATOM 647 C LYS A 42 61.785 -23.236 8.291 1.00 0.00 C ATOM 648 O LYS A 42 62.111 -24.190 8.998 1.00 0.00 O ATOM 649 CB LYS A 42 59.763 -24.604 7.718 1.00 0.00 C ATOM 650 CG LYS A 42 59.168 -24.716 9.126 1.00 0.00 C ATOM 651 CD LYS A 42 58.387 -26.025 9.238 1.00 0.00 C ATOM 652 CE LYS A 42 57.867 -26.192 10.667 1.00 0.00 C ATOM 653 NZ LYS A 42 56.843 -25.148 10.952 1.00 0.00 N ATOM 0 H LYS A 42 61.604 -23.018 5.804 1.00 0.00 H new ATOM 0 HA LYS A 42 59.815 -22.459 7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 42 58.978 -24.722 6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 42 60.483 -25.405 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 42 59.962 -24.687 9.873 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.512 -23.869 9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 42 57.554 -26.024 8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 42 59.027 -26.866 8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 42 57.434 -27.184 10.793 1.00 0.00 H new ATOM 0 HE3 LYS A 42 58.691 -26.111 11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 56.324 -25.398 11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 57.311 -24.229 11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 56.178 -25.088 10.155 1.00 0.00 H new ATOM 667 N VAL A 43 62.548 -22.154 8.140 1.00 0.00 N ATOM 668 CA VAL A 43 63.838 -22.035 8.816 1.00 0.00 C ATOM 669 C VAL A 43 64.277 -20.573 8.870 1.00 0.00 C ATOM 670 O VAL A 43 63.857 -19.759 8.050 1.00 0.00 O ATOM 671 CB VAL A 43 64.910 -22.897 8.128 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.155 -22.423 6.692 1.00 0.00 C ATOM 673 CG2 VAL A 43 66.220 -22.801 8.912 1.00 0.00 C ATOM 0 H VAL A 43 62.297 -21.353 7.560 1.00 0.00 H new ATOM 0 HA VAL A 43 63.720 -22.402 9.835 1.00 0.00 H new ATOM 0 HB VAL A 43 64.557 -23.928 8.103 1.00 0.00 H new ATOM 0 HG11 VAL A 43 65.917 -23.049 6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 43 64.229 -22.496 6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.494 -21.387 6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 43 66.981 -23.412 8.426 1.00 0.00 H new ATOM 0 HG22 VAL A 43 66.552 -21.763 8.941 1.00 0.00 H new ATOM 0 HG23 VAL A 43 66.062 -23.160 9.929 1.00 0.00 H new ATOM 683 N THR A 44 65.126 -20.252 9.844 1.00 0.00 N ATOM 684 CA THR A 44 65.625 -18.881 10.006 1.00 0.00 C ATOM 685 C THR A 44 66.972 -18.726 9.308 1.00 0.00 C ATOM 686 O THR A 44 67.948 -19.388 9.665 1.00 0.00 O ATOM 687 CB THR A 44 65.789 -18.558 11.499 1.00 0.00 C ATOM 688 OG1 THR A 44 64.652 -19.029 12.209 1.00 0.00 O ATOM 689 CG2 THR A 44 65.920 -17.044 11.708 1.00 0.00 C ATOM 0 H THR A 44 65.483 -20.916 10.531 1.00 0.00 H new ATOM 0 HA THR A 44 64.906 -18.193 9.560 1.00 0.00 H new ATOM 0 HB THR A 44 66.691 -19.047 11.868 1.00 0.00 H new ATOM 0 HG1 THR A 44 64.754 -18.826 13.162 1.00 0.00 H new ATOM 0 HG21 THR A 44 66.035 -16.832 12.771 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.792 -16.676 11.168 1.00 0.00 H new ATOM 0 HG23 THR A 44 65.025 -16.546 11.334 1.00 0.00 H new ATOM 697 N VAL A 45 67.016 -17.847 8.310 1.00 0.00 N ATOM 698 CA VAL A 45 68.246 -17.597 7.549 1.00 0.00 C ATOM 699 C VAL A 45 68.639 -16.119 7.652 1.00 0.00 C ATOM 700 O VAL A 45 67.891 -15.241 7.222 1.00 0.00 O ATOM 701 CB VAL A 45 68.007 -17.973 6.076 1.00 0.00 C ATOM 702 CG1 VAL A 45 69.332 -18.247 5.354 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.130 -19.226 6.013 1.00 0.00 C ATOM 0 H VAL A 45 66.215 -17.293 8.006 1.00 0.00 H new ATOM 0 HA VAL A 45 69.056 -18.201 7.957 1.00 0.00 H new ATOM 0 HB VAL A 45 67.512 -17.137 5.582 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.133 -18.510 4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.957 -17.354 5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.850 -19.071 5.844 1.00 0.00 H new ATOM 0 HG21 VAL A 45 66.957 -19.497 4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.632 -20.048 6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 45 66.175 -19.027 6.499 1.00 0.00 H new ATOM 713 N LYS A 46 69.818 -15.853 8.223 1.00 0.00 N ATOM 714 CA LYS A 46 70.309 -14.480 8.381 1.00 0.00 C ATOM 715 C LYS A 46 71.295 -14.136 7.265 1.00 0.00 C ATOM 716 O LYS A 46 72.192 -14.918 6.954 1.00 0.00 O ATOM 717 CB LYS A 46 71.001 -14.330 9.739 1.00 0.00 C ATOM 718 CG LYS A 46 71.437 -12.876 9.937 1.00 0.00 C ATOM 719 CD LYS A 46 72.092 -12.715 11.311 1.00 0.00 C ATOM 720 CE LYS A 46 72.509 -11.257 11.503 1.00 0.00 C ATOM 721 NZ LYS A 46 73.115 -11.084 12.854 1.00 0.00 N ATOM 0 H LYS A 46 70.449 -16.569 8.583 1.00 0.00 H new ATOM 0 HA LYS A 46 69.461 -13.798 8.327 1.00 0.00 H new ATOM 0 HB2 LYS A 46 70.323 -14.629 10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.867 -14.990 9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.138 -12.587 9.154 1.00 0.00 H new ATOM 0 HG3 LYS A 46 70.575 -12.214 9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.396 -13.013 12.096 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.961 -13.368 11.391 1.00 0.00 H new ATOM 0 HE2 LYS A 46 73.224 -10.968 10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 46 71.643 -10.603 11.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 73.398 -10.092 12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.419 -11.343 13.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 73.951 -11.697 12.940 1.00 0.00 H new ATOM 735 N ILE A 47 71.122 -12.957 6.660 1.00 0.00 N ATOM 736 CA ILE A 47 72.004 -12.516 5.569 1.00 0.00 C ATOM 737 C ILE A 47 72.405 -11.036 5.751 1.00 0.00 C ATOM 738 O ILE A 47 71.548 -10.212 6.069 1.00 0.00 O ATOM 739 CB ILE A 47 71.269 -12.673 4.234 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.752 -14.109 4.103 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.228 -12.372 3.078 1.00 0.00 C ATOM 742 CD1 ILE A 47 69.930 -14.240 2.818 1.00 0.00 C ATOM 0 H ILE A 47 70.386 -12.294 6.903 1.00 0.00 H new ATOM 0 HA ILE A 47 72.906 -13.128 5.582 1.00 0.00 H new ATOM 0 HB ILE A 47 70.431 -11.977 4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.588 -14.808 4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.140 -14.367 4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.702 -12.485 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.598 -11.351 3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.068 -13.066 3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.562 -15.262 2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.085 -13.552 2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.557 -14.000 1.959 1.00 0.00 H new ATOM 754 N PRO A 48 73.660 -10.659 5.533 1.00 0.00 N ATOM 755 CA PRO A 48 74.078 -9.224 5.667 1.00 0.00 C ATOM 756 C PRO A 48 73.211 -8.305 4.798 1.00 0.00 C ATOM 757 O PRO A 48 72.748 -8.711 3.732 1.00 0.00 O ATOM 758 CB PRO A 48 75.546 -9.211 5.187 1.00 0.00 C ATOM 759 CG PRO A 48 76.028 -10.617 5.339 1.00 0.00 C ATOM 760 CD PRO A 48 74.804 -11.523 5.164 1.00 0.00 C ATOM 0 HA PRO A 48 73.966 -8.856 6.687 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.617 -8.882 4.150 1.00 0.00 H new ATOM 0 HB3 PRO A 48 76.147 -8.523 5.782 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.790 -10.848 4.594 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.483 -10.766 6.318 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.718 -11.883 4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.863 -12.402 5.806 1.00 0.00 H new ATOM 768 N SER A 49 72.986 -7.075 5.266 1.00 0.00 N ATOM 769 CA SER A 49 72.164 -6.118 4.523 1.00 0.00 C ATOM 770 C SER A 49 72.455 -6.191 3.014 1.00 0.00 C ATOM 771 O SER A 49 73.439 -6.800 2.591 1.00 0.00 O ATOM 772 CB SER A 49 72.411 -4.699 5.067 1.00 0.00 C ATOM 773 OG SER A 49 71.179 -4.157 5.524 1.00 0.00 O ATOM 0 H SER A 49 73.358 -6.721 6.147 1.00 0.00 H new ATOM 0 HA SER A 49 71.113 -6.372 4.661 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.134 -4.729 5.882 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.835 -4.066 4.288 1.00 0.00 H new ATOM 0 HG SER A 49 71.270 -3.188 5.638 1.00 0.00 H new ATOM 779 N PRO A 50 71.616 -5.594 2.203 1.00 0.00 N ATOM 780 CA PRO A 50 71.780 -5.606 0.719 1.00 0.00 C ATOM 781 C PRO A 50 72.808 -4.581 0.209 1.00 0.00 C ATOM 782 O PRO A 50 72.532 -3.849 -0.741 1.00 0.00 O ATOM 783 CB PRO A 50 70.370 -5.260 0.231 1.00 0.00 C ATOM 784 CG PRO A 50 69.840 -4.334 1.274 1.00 0.00 C ATOM 785 CD PRO A 50 70.412 -4.839 2.606 1.00 0.00 C ATOM 0 HA PRO A 50 72.164 -6.559 0.355 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.393 -4.784 -0.749 1.00 0.00 H new ATOM 0 HB3 PRO A 50 69.750 -6.152 0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 50 70.149 -3.307 1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 50 68.750 -4.342 1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 50 70.661 -4.014 3.274 1.00 0.00 H new ATOM 0 HD3 PRO A 50 69.699 -5.473 3.134 1.00 0.00 H new ATOM 793 N VAL A 51 73.993 -4.538 0.829 1.00 0.00 N ATOM 794 CA VAL A 51 75.042 -3.599 0.393 1.00 0.00 C ATOM 795 C VAL A 51 74.598 -2.145 0.602 1.00 0.00 C ATOM 796 O VAL A 51 73.591 -1.708 0.043 1.00 0.00 O ATOM 797 CB VAL A 51 75.365 -3.848 -1.091 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.687 -3.170 -1.465 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.489 -5.359 -1.328 1.00 0.00 C ATOM 0 H VAL A 51 74.250 -5.129 1.620 1.00 0.00 H new ATOM 0 HA VAL A 51 75.936 -3.767 0.994 1.00 0.00 H new ATOM 0 HB VAL A 51 74.566 -3.434 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 51 76.905 -3.353 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.607 -2.097 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.491 -3.577 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.718 -5.545 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.289 -5.761 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.549 -5.846 -1.070 1.00 0.00 H new ATOM 809 N ARG A 52 75.352 -1.400 1.418 1.00 0.00 N ATOM 810 CA ARG A 52 75.025 -0.005 1.704 1.00 0.00 C ATOM 811 C ARG A 52 74.767 0.790 0.425 1.00 0.00 C ATOM 812 O ARG A 52 75.331 0.494 -0.628 1.00 0.00 O ATOM 813 CB ARG A 52 76.172 0.644 2.491 1.00 0.00 C ATOM 814 CG ARG A 52 77.443 0.743 1.635 1.00 0.00 C ATOM 815 CD ARG A 52 78.526 1.476 2.431 1.00 0.00 C ATOM 816 NE ARG A 52 79.739 1.602 1.634 1.00 0.00 N ATOM 817 CZ ARG A 52 80.884 2.000 2.179 1.00 0.00 C ATOM 818 NH1 ARG A 52 80.943 2.267 3.455 1.00 0.00 N ATOM 819 NH2 ARG A 52 81.950 2.124 1.437 1.00 0.00 N ATOM 0 H ARG A 52 76.190 -1.742 1.889 1.00 0.00 H new ATOM 0 HA ARG A 52 74.110 0.008 2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 52 75.873 1.639 2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 52 76.378 0.060 3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.789 -0.253 1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.232 1.276 0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.168 2.464 2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 52 78.742 0.933 3.351 1.00 0.00 H new ATOM 0 HE ARG A 52 79.709 1.381 0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.110 2.170 4.035 1.00 0.00 H new ATOM 0 HH12 ARG A 52 81.822 2.572 3.872 1.00 0.00 H new ATOM 0 HH21 ARG A 52 81.904 1.916 0.440 1.00 0.00 H new ATOM 0 HH22 ARG A 52 82.829 2.429 1.854 1.00 0.00 H new ATOM 833 N GLY A 53 73.915 1.810 0.532 1.00 0.00 N ATOM 834 CA GLY A 53 73.593 2.656 -0.612 1.00 0.00 C ATOM 835 C GLY A 53 72.300 3.433 -0.368 1.00 0.00 C ATOM 836 O GLY A 53 72.031 3.864 0.754 1.00 0.00 O ATOM 0 H GLY A 53 73.438 2.068 1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.411 3.352 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.490 2.042 -1.506 1.00 0.00 H new ATOM 840 N LYS A 54 71.498 3.620 -1.423 1.00 0.00 N ATOM 841 CA LYS A 54 70.234 4.358 -1.311 1.00 0.00 C ATOM 842 C LYS A 54 69.044 3.426 -1.538 1.00 0.00 C ATOM 843 O LYS A 54 69.025 2.658 -2.500 1.00 0.00 O ATOM 844 CB LYS A 54 70.203 5.480 -2.361 1.00 0.00 C ATOM 845 CG LYS A 54 69.125 6.510 -2.001 1.00 0.00 C ATOM 846 CD LYS A 54 69.214 7.713 -2.951 1.00 0.00 C ATOM 847 CE LYS A 54 68.714 7.323 -4.347 1.00 0.00 C ATOM 848 NZ LYS A 54 68.491 8.554 -5.156 1.00 0.00 N ATOM 0 H LYS A 54 71.701 3.272 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 54 70.165 4.780 -0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.177 5.966 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.001 5.061 -3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.137 6.054 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.254 6.839 -0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 54 68.619 8.539 -2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 54 70.244 8.063 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 54 69.442 6.679 -4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 54 67.788 6.754 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 68.152 8.290 -6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 67.781 9.153 -4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 69.384 9.079 -5.242 1.00 0.00 H new ATOM 862 N ILE A 55 68.042 3.503 -0.659 1.00 0.00 N ATOM 863 CA ILE A 55 66.852 2.659 -0.800 1.00 0.00 C ATOM 864 C ILE A 55 65.763 3.443 -1.542 1.00 0.00 C ATOM 865 O ILE A 55 65.280 4.463 -1.047 1.00 0.00 O ATOM 866 CB ILE A 55 66.338 2.243 0.589 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.522 1.938 1.525 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.451 0.995 0.467 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.421 0.844 0.936 1.00 0.00 C ATOM 0 H ILE A 55 68.029 4.130 0.145 1.00 0.00 H new ATOM 0 HA ILE A 55 67.107 1.763 -1.365 1.00 0.00 H new ATOM 0 HB ILE A 55 65.755 3.065 1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.105 2.845 1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.148 1.621 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.091 0.707 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.601 1.214 -0.179 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.031 0.177 0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.249 0.648 1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.841 -0.068 0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.813 1.174 -0.026 1.00 0.00 H new ATOM 881 N VAL A 56 65.392 2.978 -2.736 1.00 0.00 N ATOM 882 CA VAL A 56 64.372 3.673 -3.534 1.00 0.00 C ATOM 883 C VAL A 56 62.975 3.535 -2.922 1.00 0.00 C ATOM 884 O VAL A 56 62.274 4.532 -2.752 1.00 0.00 O ATOM 885 CB VAL A 56 64.380 3.143 -4.986 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.085 3.548 -5.713 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.586 3.729 -5.745 1.00 0.00 C ATOM 0 H VAL A 56 65.773 2.137 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 56 64.622 4.734 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 56 64.450 2.056 -4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.107 3.167 -6.734 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.227 3.129 -5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.004 4.635 -5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.589 3.354 -6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.514 4.817 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.509 3.432 -5.247 1.00 0.00 H new ATOM 897 N LYS A 57 62.570 2.309 -2.599 1.00 0.00 N ATOM 898 CA LYS A 57 61.249 2.084 -2.020 1.00 0.00 C ATOM 899 C LYS A 57 61.086 0.628 -1.602 1.00 0.00 C ATOM 900 O LYS A 57 61.746 -0.259 -2.141 1.00 0.00 O ATOM 901 CB LYS A 57 60.158 2.446 -3.035 1.00 0.00 C ATOM 902 CG LYS A 57 58.784 2.337 -2.372 1.00 0.00 C ATOM 903 CD LYS A 57 57.711 2.862 -3.328 1.00 0.00 C ATOM 904 CE LYS A 57 56.337 2.762 -2.662 1.00 0.00 C ATOM 905 NZ LYS A 57 55.301 3.318 -3.580 1.00 0.00 N ATOM 0 H LYS A 57 63.130 1.466 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 57 61.152 2.719 -1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.314 3.459 -3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.212 1.779 -3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.576 1.299 -2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.770 2.909 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 57 57.922 3.897 -3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 57 57.721 2.286 -4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.110 1.722 -2.426 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.336 3.310 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 54.366 3.251 -3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 55.517 4.315 -3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 55.297 2.776 -4.468 1.00 0.00 H new ATOM 919 N ILE A 58 60.202 0.386 -0.637 1.00 0.00 N ATOM 920 CA ILE A 58 59.956 -0.966 -0.148 1.00 0.00 C ATOM 921 C ILE A 58 58.849 -1.641 -0.962 1.00 0.00 C ATOM 922 O ILE A 58 57.682 -1.257 -0.899 1.00 0.00 O ATOM 923 CB ILE A 58 59.582 -0.881 1.345 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.796 -2.249 2.014 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.125 -0.413 1.513 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.058 -2.318 3.359 1.00 0.00 C ATOM 0 H ILE A 58 59.645 1.108 -0.180 1.00 0.00 H new ATOM 0 HA ILE A 58 60.853 -1.575 -0.262 1.00 0.00 H new ATOM 0 HB ILE A 58 60.227 -0.149 1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.438 -3.041 1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.861 -2.421 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.880 -0.359 2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.005 0.572 1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.457 -1.120 1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.223 -3.294 3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.436 -1.539 4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.991 -2.169 3.196 1.00 0.00 H new ATOM 938 N LEU A 59 59.223 -2.650 -1.752 1.00 0.00 N ATOM 939 CA LEU A 59 58.228 -3.345 -2.577 1.00 0.00 C ATOM 940 C LEU A 59 57.466 -4.395 -1.761 1.00 0.00 C ATOM 941 O LEU A 59 56.327 -4.736 -2.083 1.00 0.00 O ATOM 942 CB LEU A 59 58.897 -4.016 -3.787 1.00 0.00 C ATOM 943 CG LEU A 59 57.826 -4.585 -4.740 1.00 0.00 C ATOM 944 CD1 LEU A 59 56.970 -3.451 -5.337 1.00 0.00 C ATOM 945 CD2 LEU A 59 58.514 -5.371 -5.868 1.00 0.00 C ATOM 0 H LEU A 59 60.178 -2.998 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 59 57.518 -2.598 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 59 59.518 -3.293 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 59 59.556 -4.816 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 59 57.170 -5.249 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 59 56.221 -3.874 -6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.473 -2.908 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.610 -2.767 -5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.759 -5.774 -6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 59 59.178 -4.707 -6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 59 59.093 -6.190 -5.440 1.00 0.00 H new ATOM 957 N TYR A 60 58.109 -4.929 -0.720 1.00 0.00 N ATOM 958 CA TYR A 60 57.494 -5.975 0.118 1.00 0.00 C ATOM 959 C TYR A 60 57.152 -5.460 1.520 1.00 0.00 C ATOM 960 O TYR A 60 57.863 -4.631 2.087 1.00 0.00 O ATOM 961 CB TYR A 60 58.454 -7.187 0.221 1.00 0.00 C ATOM 962 CG TYR A 60 58.179 -8.175 -0.908 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.199 -7.740 -2.243 1.00 0.00 C ATOM 964 CD2 TYR A 60 57.882 -9.519 -0.616 1.00 0.00 C ATOM 965 CE1 TYR A 60 57.931 -8.649 -3.278 1.00 0.00 C ATOM 966 CE2 TYR A 60 57.611 -10.417 -1.652 1.00 0.00 C ATOM 967 CZ TYR A 60 57.636 -9.985 -2.982 1.00 0.00 C ATOM 968 OH TYR A 60 57.365 -10.876 -3.999 1.00 0.00 O ATOM 0 H TYR A 60 59.050 -4.660 -0.434 1.00 0.00 H new ATOM 0 HA TYR A 60 56.560 -6.277 -0.356 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.488 -6.846 0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.326 -7.680 1.185 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.420 -6.708 -2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.863 -9.857 0.410 1.00 0.00 H new ATOM 0 HE1 TYR A 60 57.952 -8.317 -4.305 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.382 -11.448 -1.425 1.00 0.00 H new ATOM 0 HH TYR A 60 56.955 -10.400 -4.751 1.00 0.00 H new ATOM 978 N ARG A 61 56.049 -5.985 2.065 1.00 0.00 N ATOM 979 CA ARG A 61 55.577 -5.617 3.406 1.00 0.00 C ATOM 980 C ARG A 61 55.642 -6.822 4.341 1.00 0.00 C ATOM 981 O ARG A 61 55.863 -7.951 3.902 1.00 0.00 O ATOM 982 CB ARG A 61 54.135 -5.110 3.331 1.00 0.00 C ATOM 983 CG ARG A 61 54.090 -3.826 2.498 1.00 0.00 C ATOM 984 CD ARG A 61 52.642 -3.353 2.362 1.00 0.00 C ATOM 985 NE ARG A 61 51.874 -4.298 1.561 1.00 0.00 N ATOM 986 CZ ARG A 61 50.567 -4.139 1.381 1.00 0.00 C ATOM 987 NH1 ARG A 61 49.951 -3.130 1.934 1.00 0.00 N ATOM 988 NH2 ARG A 61 49.898 -4.992 0.654 1.00 0.00 N ATOM 0 H ARG A 61 55.461 -6.672 1.593 1.00 0.00 H new ATOM 0 HA ARG A 61 56.221 -4.828 3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.494 -5.869 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.752 -4.920 4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.693 -3.052 2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.519 -4.005 1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.191 -3.252 3.349 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.616 -2.367 1.898 1.00 0.00 H new ATOM 0 HE ARG A 61 52.347 -5.093 1.132 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.473 -2.464 2.504 1.00 0.00 H new ATOM 0 HH12 ARG A 61 48.948 -3.007 1.796 1.00 0.00 H new ATOM 0 HH21 ARG A 61 50.378 -5.782 0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 61 48.895 -4.869 0.517 1.00 0.00 H new ATOM 1002 N GLU A 62 55.455 -6.572 5.633 1.00 0.00 N ATOM 1003 CA GLU A 62 55.502 -7.641 6.630 1.00 0.00 C ATOM 1004 C GLU A 62 54.387 -8.661 6.413 1.00 0.00 C ATOM 1005 O GLU A 62 53.225 -8.297 6.232 1.00 0.00 O ATOM 1006 CB GLU A 62 55.361 -7.058 8.040 1.00 0.00 C ATOM 1007 CG GLU A 62 56.600 -6.239 8.391 1.00 0.00 C ATOM 1008 CD GLU A 62 56.434 -5.614 9.772 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.380 -5.797 10.359 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.361 -4.959 10.221 1.00 0.00 O ATOM 0 H GLU A 62 55.270 -5.644 6.015 1.00 0.00 H new ATOM 0 HA GLU A 62 56.465 -8.140 6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.472 -6.430 8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.229 -7.862 8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.484 -6.876 8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.755 -5.459 7.645 1.00 0.00 H new ATOM 1017 N GLY A 63 54.753 -9.943 6.458 1.00 0.00 N ATOM 1018 CA GLY A 63 53.773 -11.021 6.294 1.00 0.00 C ATOM 1019 C GLY A 63 53.467 -11.296 4.826 1.00 0.00 C ATOM 1020 O GLY A 63 52.572 -12.083 4.515 1.00 0.00 O ATOM 0 H GLY A 63 55.711 -10.260 6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.152 -11.930 6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.852 -10.756 6.813 1.00 0.00 H new ATOM 1024 N GLN A 64 54.191 -10.647 3.918 1.00 0.00 N ATOM 1025 CA GLN A 64 53.940 -10.853 2.493 1.00 0.00 C ATOM 1026 C GLN A 64 54.609 -12.136 2.003 1.00 0.00 C ATOM 1027 O GLN A 64 55.778 -12.391 2.289 1.00 0.00 O ATOM 1028 CB GLN A 64 54.454 -9.661 1.683 1.00 0.00 C ATOM 1029 CG GLN A 64 53.914 -9.742 0.252 1.00 0.00 C ATOM 1030 CD GLN A 64 52.406 -9.507 0.242 1.00 0.00 C ATOM 1031 OE1 GLN A 64 51.903 -8.667 0.990 1.00 0.00 O ATOM 1032 NE2 GLN A 64 51.650 -10.200 -0.565 1.00 0.00 N ATOM 0 H GLN A 64 54.939 -9.989 4.135 1.00 0.00 H new ATOM 0 HA GLN A 64 52.863 -10.944 2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 64 54.138 -8.728 2.150 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.544 -9.659 1.672 1.00 0.00 H new ATOM 0 HG2 GLN A 64 54.409 -8.999 -0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 64 54.140 -10.719 -0.175 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.067 -10.895 -1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 64 50.642 -10.046 -0.577 1.00 0.00 H new ATOM 1041 N VAL A 65 53.853 -12.938 1.251 1.00 0.00 N ATOM 1042 CA VAL A 65 54.368 -14.200 0.704 1.00 0.00 C ATOM 1043 C VAL A 65 54.188 -14.222 -0.811 1.00 0.00 C ATOM 1044 O VAL A 65 53.097 -13.974 -1.320 1.00 0.00 O ATOM 1045 CB VAL A 65 53.639 -15.393 1.336 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.125 -15.211 1.210 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.066 -16.683 0.628 1.00 0.00 C ATOM 0 H VAL A 65 52.883 -12.739 1.006 1.00 0.00 H new ATOM 0 HA VAL A 65 55.430 -14.276 0.939 1.00 0.00 H new ATOM 0 HB VAL A 65 53.899 -15.453 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 65 51.617 -16.063 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 65 51.825 -14.297 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 65 51.853 -15.143 0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.549 -17.532 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 65 53.811 -16.619 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.143 -16.817 0.734 1.00 0.00 H new ATOM 1057 N VAL A 66 55.276 -14.506 -1.528 1.00 0.00 N ATOM 1058 CA VAL A 66 55.236 -14.536 -2.993 1.00 0.00 C ATOM 1059 C VAL A 66 56.232 -15.564 -3.559 1.00 0.00 C ATOM 1060 O VAL A 66 57.375 -15.616 -3.102 1.00 0.00 O ATOM 1061 CB VAL A 66 55.630 -13.160 -3.527 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.314 -13.085 -5.020 1.00 0.00 C ATOM 1063 CG2 VAL A 66 54.857 -12.072 -2.779 1.00 0.00 C ATOM 0 H VAL A 66 56.189 -14.717 -1.124 1.00 0.00 H new ATOM 0 HA VAL A 66 54.226 -14.810 -3.299 1.00 0.00 H new ATOM 0 HB VAL A 66 56.698 -13.005 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.595 -12.104 -5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 66 55.875 -13.855 -5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.247 -13.243 -5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.142 -11.093 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 66 53.787 -12.221 -2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.090 -12.126 -1.716 1.00 0.00 H new ATOM 1073 N PRO A 67 55.868 -16.351 -4.560 1.00 0.00 N ATOM 1074 CA PRO A 67 56.828 -17.320 -5.170 1.00 0.00 C ATOM 1075 C PRO A 67 58.145 -16.642 -5.559 1.00 0.00 C ATOM 1076 O PRO A 67 58.148 -15.543 -6.111 1.00 0.00 O ATOM 1077 CB PRO A 67 56.092 -17.837 -6.421 1.00 0.00 C ATOM 1078 CG PRO A 67 54.636 -17.639 -6.140 1.00 0.00 C ATOM 1079 CD PRO A 67 54.529 -16.432 -5.198 1.00 0.00 C ATOM 0 HA PRO A 67 57.102 -18.116 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.398 -17.287 -7.311 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.317 -18.888 -6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.085 -17.460 -7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.206 -18.529 -5.680 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.292 -15.519 -5.745 1.00 0.00 H new ATOM 0 HD3 PRO A 67 53.742 -16.573 -4.457 1.00 0.00 H new ATOM 1087 N VAL A 68 59.259 -17.310 -5.272 1.00 0.00 N ATOM 1088 CA VAL A 68 60.572 -16.767 -5.597 1.00 0.00 C ATOM 1089 C VAL A 68 60.641 -16.360 -7.067 1.00 0.00 C ATOM 1090 O VAL A 68 60.061 -17.017 -7.932 1.00 0.00 O ATOM 1091 CB VAL A 68 61.653 -17.818 -5.312 1.00 0.00 C ATOM 1092 CG1 VAL A 68 61.761 -18.076 -3.806 1.00 0.00 C ATOM 1093 CG2 VAL A 68 61.308 -19.127 -6.038 1.00 0.00 C ATOM 0 H VAL A 68 59.278 -18.223 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 68 60.741 -15.885 -4.979 1.00 0.00 H new ATOM 0 HB VAL A 68 62.610 -17.444 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.532 -18.824 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 68 62.023 -17.149 -3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 68 60.805 -18.439 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 68 62.078 -19.871 -5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 68 60.345 -19.496 -5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 68 61.256 -18.945 -7.111 1.00 0.00 H new ATOM 1103 N GLY A 69 61.361 -15.271 -7.341 1.00 0.00 N ATOM 1104 CA GLY A 69 61.517 -14.768 -8.715 1.00 0.00 C ATOM 1105 C GLY A 69 60.982 -13.342 -8.845 1.00 0.00 C ATOM 1106 O GLY A 69 60.188 -13.046 -9.738 1.00 0.00 O ATOM 0 H GLY A 69 61.846 -14.718 -6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.570 -14.791 -8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.987 -15.423 -9.407 1.00 0.00 H new ATOM 1110 N SER A 70 61.420 -12.459 -7.948 1.00 0.00 N ATOM 1111 CA SER A 70 60.977 -11.069 -7.976 1.00 0.00 C ATOM 1112 C SER A 70 61.936 -10.194 -7.178 1.00 0.00 C ATOM 1113 O SER A 70 62.742 -10.697 -6.395 1.00 0.00 O ATOM 1114 CB SER A 70 59.571 -10.953 -7.394 1.00 0.00 C ATOM 1115 OG SER A 70 59.540 -11.552 -6.106 1.00 0.00 O ATOM 0 H SER A 70 62.076 -12.681 -7.199 1.00 0.00 H new ATOM 0 HA SER A 70 60.964 -10.730 -9.012 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.279 -9.905 -7.326 1.00 0.00 H new ATOM 0 HB3 SER A 70 58.852 -11.442 -8.052 1.00 0.00 H new ATOM 0 HG SER A 70 58.769 -11.212 -5.606 1.00 0.00 H new ATOM 1121 N THR A 71 61.850 -8.879 -7.383 1.00 0.00 N ATOM 1122 CA THR A 71 62.721 -7.946 -6.672 1.00 0.00 C ATOM 1123 C THR A 71 62.065 -7.481 -5.383 1.00 0.00 C ATOM 1124 O THR A 71 61.115 -6.701 -5.399 1.00 0.00 O ATOM 1125 CB THR A 71 63.020 -6.735 -7.561 1.00 0.00 C ATOM 1126 OG1 THR A 71 61.830 -6.336 -8.226 1.00 0.00 O ATOM 1127 CG2 THR A 71 64.078 -7.115 -8.593 1.00 0.00 C ATOM 0 H THR A 71 61.193 -8.441 -8.029 1.00 0.00 H new ATOM 0 HA THR A 71 63.652 -8.458 -6.428 1.00 0.00 H new ATOM 0 HB THR A 71 63.389 -5.912 -6.949 1.00 0.00 H new ATOM 0 HG1 THR A 71 61.094 -6.289 -7.580 1.00 0.00 H new ATOM 0 HG21 THR A 71 64.293 -6.255 -9.227 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.989 -7.426 -8.082 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.708 -7.936 -9.208 1.00 0.00 H new ATOM 1135 N LEU A 72 62.591 -7.959 -4.268 1.00 0.00 N ATOM 1136 CA LEU A 72 62.066 -7.591 -2.965 1.00 0.00 C ATOM 1137 C LEU A 72 62.249 -6.095 -2.717 1.00 0.00 C ATOM 1138 O LEU A 72 61.382 -5.442 -2.139 1.00 0.00 O ATOM 1139 CB LEU A 72 62.787 -8.400 -1.881 1.00 0.00 C ATOM 1140 CG LEU A 72 62.212 -9.825 -1.820 1.00 0.00 C ATOM 1141 CD1 LEU A 72 60.776 -9.809 -1.260 1.00 0.00 C ATOM 1142 CD2 LEU A 72 62.207 -10.436 -3.228 1.00 0.00 C ATOM 0 H LEU A 72 63.381 -8.603 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 72 60.999 -7.813 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.855 -8.439 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.673 -7.911 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 72 62.837 -10.425 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 72 60.388 -10.827 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 72 60.782 -9.388 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 72 60.141 -9.200 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.799 -11.446 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.592 -9.824 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 72 63.226 -10.472 -3.613 1.00 0.00 H new ATOM 1154 N LEU A 73 63.387 -5.563 -3.148 1.00 0.00 N ATOM 1155 CA LEU A 73 63.680 -4.143 -2.959 1.00 0.00 C ATOM 1156 C LEU A 73 64.674 -3.685 -4.031 1.00 0.00 C ATOM 1157 O LEU A 73 65.558 -4.443 -4.430 1.00 0.00 O ATOM 1158 CB LEU A 73 64.205 -3.939 -1.512 1.00 0.00 C ATOM 1159 CG LEU A 73 65.172 -2.744 -1.378 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.487 -1.410 -1.725 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.709 -2.684 0.069 1.00 0.00 C ATOM 0 H LEU A 73 64.119 -6.087 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 73 62.787 -3.529 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.358 -3.789 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 73 64.712 -4.847 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 73 65.990 -2.892 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 73 65.203 -0.595 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.126 -1.443 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.647 -1.246 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.393 -1.841 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 73 64.876 -2.560 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 73 66.237 -3.609 0.300 1.00 0.00 H new ATOM 1173 N GLN A 74 64.517 -2.446 -4.509 1.00 0.00 N ATOM 1174 CA GLN A 74 65.406 -1.912 -5.555 1.00 0.00 C ATOM 1175 C GLN A 74 66.409 -0.924 -4.973 1.00 0.00 C ATOM 1176 O GLN A 74 66.046 -0.035 -4.206 1.00 0.00 O ATOM 1177 CB GLN A 74 64.579 -1.222 -6.640 1.00 0.00 C ATOM 1178 CG GLN A 74 65.501 -0.737 -7.760 1.00 0.00 C ATOM 1179 CD GLN A 74 64.669 -0.222 -8.928 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.725 0.543 -8.728 1.00 0.00 O ATOM 1181 NE2 GLN A 74 64.964 -0.595 -10.143 1.00 0.00 N ATOM 0 H GLN A 74 63.794 -1.799 -4.196 1.00 0.00 H new ATOM 0 HA GLN A 74 65.957 -2.747 -5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.837 -1.913 -7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.033 -0.380 -6.215 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.153 0.054 -7.390 1.00 0.00 H new ATOM 0 HG3 GLN A 74 66.145 -1.552 -8.092 1.00 0.00 H new ATOM 0 HE21 GLN A 74 65.746 -1.229 -10.306 1.00 0.00 H new ATOM 0 HE22 GLN A 74 64.412 -0.253 -10.930 1.00 0.00 H new ATOM 1190 N ILE A 75 67.686 -1.100 -5.331 1.00 0.00 N ATOM 1191 CA ILE A 75 68.752 -0.237 -4.823 1.00 0.00 C ATOM 1192 C ILE A 75 69.596 0.325 -5.963 1.00 0.00 C ATOM 1193 O ILE A 75 70.100 -0.418 -6.807 1.00 0.00 O ATOM 1194 CB ILE A 75 69.629 -1.060 -3.879 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.797 -1.530 -2.682 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.797 -0.222 -3.358 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.572 -2.600 -1.916 1.00 0.00 C ATOM 0 H ILE A 75 68.003 -1.830 -5.968 1.00 0.00 H new ATOM 0 HA ILE A 75 68.310 0.607 -4.293 1.00 0.00 H new ATOM 0 HB ILE A 75 70.016 -1.915 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.574 -0.688 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.842 -1.931 -3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.408 -0.827 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.405 0.117 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.412 0.642 -2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.982 -2.936 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.773 -3.445 -2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.515 -2.183 -1.563 1.00 0.00 H new ATOM 1209 N ASP A 76 69.753 1.643 -5.966 1.00 0.00 N ATOM 1210 CA ASP A 76 70.548 2.326 -6.987 1.00 0.00 C ATOM 1211 C ASP A 76 71.979 2.513 -6.496 1.00 0.00 C ATOM 1212 O ASP A 76 72.202 2.910 -5.352 1.00 0.00 O ATOM 1213 CB ASP A 76 69.936 3.694 -7.296 1.00 0.00 C ATOM 1214 CG ASP A 76 68.560 3.515 -7.930 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.283 2.422 -8.393 1.00 0.00 O ATOM 1216 OD2 ASP A 76 67.805 4.474 -7.945 1.00 0.00 O ATOM 0 H ASP A 76 69.340 2.265 -5.271 1.00 0.00 H new ATOM 0 HA ASP A 76 70.553 1.718 -7.892 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.851 4.279 -6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.587 4.250 -7.970 1.00 0.00 H new ATOM 1221 N THR A 77 72.949 2.220 -7.357 1.00 0.00 N ATOM 1222 CA THR A 77 74.356 2.362 -6.984 1.00 0.00 C ATOM 1223 C THR A 77 74.835 3.786 -7.251 1.00 0.00 C ATOM 1224 O THR A 77 75.243 4.054 -8.370 1.00 0.00 O ATOM 1225 CB THR A 77 75.216 1.377 -7.779 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.651 0.077 -7.696 1.00 0.00 O ATOM 1227 CG2 THR A 77 76.633 1.359 -7.200 1.00 0.00 C ATOM 1228 OXT THR A 77 74.778 4.591 -6.336 1.00 0.00 O ATOM 0 H THR A 77 72.792 1.886 -8.308 1.00 0.00 H new ATOM 0 HA THR A 77 74.453 2.146 -5.920 1.00 0.00 H new ATOM 0 HB THR A 77 75.253 1.687 -8.823 1.00 0.00 H new ATOM 0 HG1 THR A 77 75.202 -0.552 -8.207 1.00 0.00 H new ATOM 0 HG21 THR A 77 77.248 0.658 -7.765 1.00 0.00 H new ATOM 0 HG22 THR A 77 77.066 2.357 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.595 1.049 -6.156 1.00 0.00 H new TER 1236 THR A 77