USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0635 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -152:sc= -0.404 (180deg=-1.7!) USER MOD Single : A 18 TYR OH : rot 93:sc= 0.0189 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 31:sc= 0.328 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= -0.0388 (180deg=-0.296) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0827 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 41 SER OG : rot 180:sc=-0.00246 USER MOD Single : A 49 HIS : no HD1:sc= -7.38! K(o=-7.4!,f=-3.9) USER MOD Single : A 50 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.34) USER MOD Single : A 58 HIS : no HD1:sc= -1.78! C(o=-1.8!,f=-6.5!) USER MOD Single : A 59 GLN : amide:sc= -0.0453 K(o=-0.045,f=-1.6!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.462 19.891 12.806 1.00 0.00 N ATOM 2 CA GLY A 1 -4.661 19.761 11.603 1.00 0.00 C ATOM 3 C GLY A 1 -3.910 18.445 11.546 1.00 0.00 C ATOM 4 O GLY A 1 -4.246 17.500 12.260 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.434 20.157 12.549 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.474 18.984 13.314 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.052 20.625 13.418 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.307 19.845 10.729 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.949 20.585 11.554 1.00 0.00 H new ATOM 8 N SER A 2 -2.893 18.382 10.693 1.00 0.00 N ATOM 9 CA SER A 2 -2.096 17.170 10.541 1.00 0.00 C ATOM 10 C SER A 2 -0.606 17.498 10.521 1.00 0.00 C ATOM 11 O SER A 2 -0.209 18.611 10.177 1.00 0.00 O ATOM 12 CB SER A 2 -2.486 16.436 9.257 1.00 0.00 C ATOM 13 OG SER A 2 -3.807 15.929 9.340 1.00 0.00 O ATOM 0 H SER A 2 -2.601 19.156 10.096 1.00 0.00 H new ATOM 0 HA SER A 2 -2.296 16.524 11.396 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.406 17.115 8.408 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.790 15.617 9.077 1.00 0.00 H new ATOM 0 HG SER A 2 -4.033 15.466 8.506 1.00 0.00 H new ATOM 19 N SER A 3 0.213 16.520 10.892 1.00 0.00 N ATOM 20 CA SER A 3 1.660 16.704 10.921 1.00 0.00 C ATOM 21 C SER A 3 2.233 16.728 9.507 1.00 0.00 C ATOM 22 O SER A 3 2.132 15.749 8.768 1.00 0.00 O ATOM 23 CB SER A 3 2.321 15.589 11.733 1.00 0.00 C ATOM 24 OG SER A 3 3.573 16.008 12.250 1.00 0.00 O ATOM 0 H SER A 3 -0.100 15.592 11.177 1.00 0.00 H new ATOM 0 HA SER A 3 1.870 17.662 11.396 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.666 15.294 12.553 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.460 14.710 11.104 1.00 0.00 H new ATOM 0 HG SER A 3 3.974 15.278 12.766 1.00 0.00 H new ATOM 30 N GLY A 4 2.835 17.854 9.137 1.00 0.00 N ATOM 31 CA GLY A 4 3.415 17.985 7.814 1.00 0.00 C ATOM 32 C GLY A 4 2.363 18.085 6.727 1.00 0.00 C ATOM 33 O GLY A 4 1.370 17.357 6.746 1.00 0.00 O ATOM 0 H GLY A 4 2.931 18.678 9.730 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.049 18.871 7.785 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.057 17.127 7.616 1.00 0.00 H new ATOM 37 N SER A 5 2.579 18.989 5.777 1.00 0.00 N ATOM 38 CA SER A 5 1.639 19.186 4.680 1.00 0.00 C ATOM 39 C SER A 5 2.150 18.526 3.402 1.00 0.00 C ATOM 40 O SER A 5 1.425 17.781 2.743 1.00 0.00 O ATOM 41 CB SER A 5 1.408 20.679 4.440 1.00 0.00 C ATOM 42 OG SER A 5 0.436 21.194 5.333 1.00 0.00 O ATOM 0 H SER A 5 3.397 19.597 5.745 1.00 0.00 H new ATOM 0 HA SER A 5 0.693 18.720 4.956 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.346 21.220 4.566 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.083 20.839 3.412 1.00 0.00 H new ATOM 0 HG SER A 5 0.307 22.150 5.161 1.00 0.00 H new ATOM 48 N SER A 6 3.403 18.807 3.059 1.00 0.00 N ATOM 49 CA SER A 6 4.011 18.245 1.859 1.00 0.00 C ATOM 50 C SER A 6 4.304 16.759 2.043 1.00 0.00 C ATOM 51 O SER A 6 4.996 16.362 2.980 1.00 0.00 O ATOM 52 CB SER A 6 5.302 18.993 1.518 1.00 0.00 C ATOM 53 OG SER A 6 5.596 18.896 0.135 1.00 0.00 O ATOM 0 H SER A 6 4.017 19.420 3.595 1.00 0.00 H new ATOM 0 HA SER A 6 3.305 18.359 1.036 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.204 20.041 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.128 18.583 2.099 1.00 0.00 H new ATOM 0 HG SER A 6 6.424 19.383 -0.058 1.00 0.00 H new ATOM 59 N GLY A 7 3.772 15.941 1.140 1.00 0.00 N ATOM 60 CA GLY A 7 3.987 14.508 1.219 1.00 0.00 C ATOM 61 C GLY A 7 2.701 13.741 1.455 1.00 0.00 C ATOM 62 O GLY A 7 2.702 12.704 2.117 1.00 0.00 O ATOM 0 H GLY A 7 3.196 16.245 0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.449 14.161 0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.688 14.293 2.025 1.00 0.00 H new ATOM 66 N GLU A 8 1.600 14.254 0.914 1.00 0.00 N ATOM 67 CA GLU A 8 0.301 13.610 1.072 1.00 0.00 C ATOM 68 C GLU A 8 0.385 12.125 0.735 1.00 0.00 C ATOM 69 O GLU A 8 1.221 11.688 -0.056 1.00 0.00 O ATOM 70 CB GLU A 8 -0.741 14.289 0.181 1.00 0.00 C ATOM 71 CG GLU A 8 -0.612 13.927 -1.289 1.00 0.00 C ATOM 72 CD GLU A 8 -1.721 14.523 -2.136 1.00 0.00 C ATOM 73 OE1 GLU A 8 -2.225 15.607 -1.777 1.00 0.00 O ATOM 74 OE2 GLU A 8 -2.084 13.903 -3.158 1.00 0.00 O ATOM 0 H GLU A 8 1.582 15.112 0.363 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.002 13.711 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.737 14.015 0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.651 15.370 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.352 14.274 -1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.622 12.842 -1.395 1.00 0.00 H new ATOM 81 N PRO A 9 -0.502 11.328 1.350 1.00 0.00 N ATOM 82 CA PRO A 9 -0.549 9.879 1.131 1.00 0.00 C ATOM 83 C PRO A 9 -1.046 9.519 -0.265 1.00 0.00 C ATOM 84 O PRO A 9 -1.791 10.280 -0.884 1.00 0.00 O ATOM 85 CB PRO A 9 -1.539 9.392 2.193 1.00 0.00 C ATOM 86 CG PRO A 9 -2.406 10.571 2.471 1.00 0.00 C ATOM 87 CD PRO A 9 -1.527 11.780 2.305 1.00 0.00 C ATOM 0 HA PRO A 9 0.438 9.423 1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.124 8.547 1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.022 9.059 3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.251 10.605 1.783 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.818 10.523 3.479 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.086 12.633 1.921 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.085 12.089 3.252 1.00 0.00 H new ATOM 95 N ILE A 10 -0.629 8.357 -0.755 1.00 0.00 N ATOM 96 CA ILE A 10 -1.034 7.897 -2.077 1.00 0.00 C ATOM 97 C ILE A 10 -2.022 6.739 -1.978 1.00 0.00 C ATOM 98 O ILE A 10 -1.708 5.689 -1.418 1.00 0.00 O ATOM 99 CB ILE A 10 0.180 7.451 -2.914 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.251 8.543 -2.920 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.251 7.115 -4.334 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.629 8.036 -3.287 1.00 0.00 C ATOM 0 H ILE A 10 -0.011 7.717 -0.256 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.516 8.741 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 10 0.605 6.554 -2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.960 9.322 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.293 9.005 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.617 6.802 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.982 6.307 -4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.697 7.995 -4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.338 8.864 -3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.941 7.278 -2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.602 7.600 -4.286 1.00 0.00 H new ATOM 114 N GLU A 11 -3.216 6.939 -2.528 1.00 0.00 N ATOM 115 CA GLU A 11 -4.249 5.910 -2.502 1.00 0.00 C ATOM 116 C GLU A 11 -3.969 4.831 -3.543 1.00 0.00 C ATOM 117 O GLU A 11 -4.044 5.080 -4.746 1.00 0.00 O ATOM 118 CB GLU A 11 -5.625 6.532 -2.753 1.00 0.00 C ATOM 119 CG GLU A 11 -6.276 7.095 -1.501 1.00 0.00 C ATOM 120 CD GLU A 11 -7.221 8.242 -1.800 1.00 0.00 C ATOM 121 OE1 GLU A 11 -8.329 7.979 -2.312 1.00 0.00 O ATOM 122 OE2 GLU A 11 -6.853 9.403 -1.523 1.00 0.00 O ATOM 0 H GLU A 11 -3.491 7.802 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.241 5.448 -1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.525 7.329 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.282 5.778 -3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.823 6.301 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.501 7.437 -0.815 1.00 0.00 H new ATOM 129 N ALA A 12 -3.646 3.631 -3.071 1.00 0.00 N ATOM 130 CA ALA A 12 -3.356 2.513 -3.961 1.00 0.00 C ATOM 131 C ALA A 12 -4.461 1.464 -3.901 1.00 0.00 C ATOM 132 O ALA A 12 -5.243 1.426 -2.952 1.00 0.00 O ATOM 133 CB ALA A 12 -2.014 1.890 -3.605 1.00 0.00 C ATOM 0 H ALA A 12 -3.579 3.408 -2.078 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.308 2.895 -4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.810 1.057 -4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.228 2.638 -3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.042 1.529 -2.577 1.00 0.00 H new ATOM 139 N ILE A 13 -4.519 0.614 -4.921 1.00 0.00 N ATOM 140 CA ILE A 13 -5.528 -0.436 -4.984 1.00 0.00 C ATOM 141 C ILE A 13 -4.889 -1.818 -4.893 1.00 0.00 C ATOM 142 O ILE A 13 -3.845 -2.071 -5.492 1.00 0.00 O ATOM 143 CB ILE A 13 -6.352 -0.348 -6.282 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.103 0.984 -6.345 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.323 -1.515 -6.374 1.00 0.00 C ATOM 146 CD1 ILE A 13 -7.955 1.255 -5.125 1.00 0.00 C ATOM 0 H ILE A 13 -3.879 0.632 -5.715 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.191 -0.288 -4.132 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.671 -0.401 -7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.382 1.793 -6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.738 0.992 -7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.898 -1.438 -7.297 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.767 -2.452 -6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.001 -1.492 -5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.458 2.215 -5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.699 0.466 -5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.323 1.279 -4.238 1.00 0.00 H new ATOM 158 N ALA A 14 -5.526 -2.709 -4.141 1.00 0.00 N ATOM 159 CA ALA A 14 -5.023 -4.067 -3.975 1.00 0.00 C ATOM 160 C ALA A 14 -5.258 -4.897 -5.233 1.00 0.00 C ATOM 161 O ALA A 14 -6.395 -5.074 -5.670 1.00 0.00 O ATOM 162 CB ALA A 14 -5.680 -4.730 -2.773 1.00 0.00 C ATOM 0 H ALA A 14 -6.391 -2.515 -3.637 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.948 -4.011 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.295 -5.744 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.457 -4.156 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.759 -4.766 -2.922 1.00 0.00 H new ATOM 168 N LYS A 15 -4.175 -5.405 -5.811 1.00 0.00 N ATOM 169 CA LYS A 15 -4.261 -6.217 -7.019 1.00 0.00 C ATOM 170 C LYS A 15 -4.715 -7.635 -6.689 1.00 0.00 C ATOM 171 O LYS A 15 -5.498 -8.234 -7.427 1.00 0.00 O ATOM 172 CB LYS A 15 -2.906 -6.257 -7.730 1.00 0.00 C ATOM 173 CG LYS A 15 -2.737 -5.169 -8.776 1.00 0.00 C ATOM 174 CD LYS A 15 -1.830 -5.620 -9.908 1.00 0.00 C ATOM 175 CE LYS A 15 -0.370 -5.630 -9.482 1.00 0.00 C ATOM 176 NZ LYS A 15 0.294 -4.323 -9.743 1.00 0.00 N ATOM 0 H LYS A 15 -3.226 -5.269 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.998 -5.762 -7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.113 -6.163 -6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.783 -7.230 -8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.712 -4.894 -9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.321 -4.276 -8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.122 -6.618 -10.234 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.956 -4.956 -10.763 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.303 -5.865 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.159 -6.419 -10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.311 -4.475 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.125 -3.883 -10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.161 -3.696 -8.924 1.00 0.00 H new ATOM 190 N PHE A 16 -4.220 -8.167 -5.576 1.00 0.00 N ATOM 191 CA PHE A 16 -4.576 -9.515 -5.148 1.00 0.00 C ATOM 192 C PHE A 16 -4.603 -9.613 -3.626 1.00 0.00 C ATOM 193 O PHE A 16 -3.725 -9.084 -2.943 1.00 0.00 O ATOM 194 CB PHE A 16 -3.586 -10.532 -5.719 1.00 0.00 C ATOM 195 CG PHE A 16 -3.069 -10.166 -7.081 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.759 -10.540 -8.222 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.892 -9.447 -7.220 1.00 0.00 C ATOM 198 CE1 PHE A 16 -3.285 -10.205 -9.477 1.00 0.00 C ATOM 199 CE2 PHE A 16 -1.413 -9.109 -8.471 1.00 0.00 C ATOM 200 CZ PHE A 16 -2.111 -9.487 -9.601 1.00 0.00 C ATOM 0 H PHE A 16 -3.571 -7.685 -4.954 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.574 -9.738 -5.526 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.744 -10.631 -5.034 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.070 -11.507 -5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.678 -11.100 -8.131 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.343 -9.147 -6.340 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.832 -10.504 -10.359 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.494 -8.550 -8.565 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.740 -9.222 -10.580 1.00 0.00 H new ATOM 210 N ASP A 17 -5.616 -10.293 -3.101 1.00 0.00 N ATOM 211 CA ASP A 17 -5.758 -10.462 -1.659 1.00 0.00 C ATOM 212 C ASP A 17 -4.422 -10.827 -1.021 1.00 0.00 C ATOM 213 O ASP A 17 -3.951 -11.957 -1.145 1.00 0.00 O ATOM 214 CB ASP A 17 -6.797 -11.541 -1.351 1.00 0.00 C ATOM 215 CG ASP A 17 -6.710 -12.717 -2.304 1.00 0.00 C ATOM 216 OD1 ASP A 17 -7.027 -12.537 -3.498 1.00 0.00 O ATOM 217 OD2 ASP A 17 -6.327 -13.818 -1.855 1.00 0.00 O ATOM 0 H ASP A 17 -6.351 -10.736 -3.652 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.094 -9.515 -1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.658 -11.894 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.795 -11.106 -1.405 1.00 0.00 H new ATOM 222 N TYR A 18 -3.815 -9.862 -0.338 1.00 0.00 N ATOM 223 CA TYR A 18 -2.531 -10.081 0.318 1.00 0.00 C ATOM 224 C TYR A 18 -2.709 -10.237 1.825 1.00 0.00 C ATOM 225 O TYR A 18 -3.594 -9.627 2.424 1.00 0.00 O ATOM 226 CB TYR A 18 -1.580 -8.919 0.023 1.00 0.00 C ATOM 227 CG TYR A 18 -0.238 -9.048 0.706 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.679 -10.011 0.302 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.114 -8.208 1.754 1.00 0.00 C ATOM 230 CE1 TYR A 18 1.907 -10.133 0.924 1.00 0.00 C ATOM 231 CE2 TYR A 18 1.340 -8.321 2.381 1.00 0.00 C ATOM 232 CZ TYR A 18 2.233 -9.285 1.962 1.00 0.00 C ATOM 233 OH TYR A 18 3.455 -9.403 2.584 1.00 0.00 O ATOM 0 H TYR A 18 -4.192 -8.921 -0.224 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.102 -11.002 -0.076 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.425 -8.851 -1.054 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.050 -7.987 0.337 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.428 -10.675 -0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.583 -7.453 2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.608 -10.888 0.599 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.597 -7.659 3.194 1.00 0.00 H new ATOM 0 HH TYR A 18 4.099 -8.801 2.156 1.00 0.00 H new ATOM 243 N VAL A 19 -1.858 -11.059 2.432 1.00 0.00 N ATOM 244 CA VAL A 19 -1.918 -11.296 3.869 1.00 0.00 C ATOM 245 C VAL A 19 -0.547 -11.122 4.512 1.00 0.00 C ATOM 246 O VAL A 19 0.349 -11.943 4.320 1.00 0.00 O ATOM 247 CB VAL A 19 -2.445 -12.709 4.184 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.609 -13.761 3.472 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.457 -12.950 5.686 1.00 0.00 C ATOM 0 H VAL A 19 -1.119 -11.572 1.950 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.607 -10.559 4.283 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.469 -12.787 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.996 -14.753 3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.658 -13.597 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.573 -13.688 3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.832 -13.953 5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.444 -12.854 6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.103 -12.216 6.167 1.00 0.00 H new ATOM 259 N GLY A 20 -0.390 -10.047 5.278 1.00 0.00 N ATOM 260 CA GLY A 20 0.875 -9.784 5.939 1.00 0.00 C ATOM 261 C GLY A 20 1.467 -11.028 6.572 1.00 0.00 C ATOM 262 O GLY A 20 1.046 -11.444 7.651 1.00 0.00 O ATOM 0 H GLY A 20 -1.117 -9.353 5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.582 -9.376 5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.730 -9.024 6.706 1.00 0.00 H new ATOM 266 N ARG A 21 2.446 -11.623 5.898 1.00 0.00 N ATOM 267 CA ARG A 21 3.096 -12.828 6.400 1.00 0.00 C ATOM 268 C ARG A 21 3.578 -12.629 7.834 1.00 0.00 C ATOM 269 O ARG A 21 3.490 -13.536 8.662 1.00 0.00 O ATOM 270 CB ARG A 21 4.274 -13.209 5.502 1.00 0.00 C ATOM 271 CG ARG A 21 3.898 -13.368 4.038 1.00 0.00 C ATOM 272 CD ARG A 21 5.127 -13.355 3.142 1.00 0.00 C ATOM 273 NE ARG A 21 5.683 -14.692 2.957 1.00 0.00 N ATOM 274 CZ ARG A 21 5.112 -15.629 2.208 1.00 0.00 C ATOM 275 NH1 ARG A 21 3.974 -15.375 1.577 1.00 0.00 N ATOM 276 NH2 ARG A 21 5.680 -16.822 2.088 1.00 0.00 N ATOM 0 H ARG A 21 2.806 -11.291 5.004 1.00 0.00 H new ATOM 0 HA ARG A 21 2.365 -13.636 6.390 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.048 -12.446 5.589 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.706 -14.143 5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.356 -14.304 3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.224 -12.563 3.745 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.864 -12.934 2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.886 -12.704 3.576 1.00 0.00 H new ATOM 0 HE ARG A 21 6.558 -14.919 3.429 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.535 -14.459 1.666 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.537 -16.096 1.002 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.556 -17.021 2.571 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.241 -17.541 1.513 1.00 0.00 H new ATOM 290 N THR A 22 4.091 -11.436 8.120 1.00 0.00 N ATOM 291 CA THR A 22 4.589 -11.118 9.452 1.00 0.00 C ATOM 292 C THR A 22 3.883 -9.895 10.026 1.00 0.00 C ATOM 293 O THR A 22 3.398 -9.042 9.284 1.00 0.00 O ATOM 294 CB THR A 22 6.107 -10.860 9.437 1.00 0.00 C ATOM 295 OG1 THR A 22 6.410 -9.768 8.562 1.00 0.00 O ATOM 296 CG2 THR A 22 6.863 -12.101 8.987 1.00 0.00 C ATOM 0 H THR A 22 4.172 -10.674 7.446 1.00 0.00 H new ATOM 0 HA THR A 22 4.381 -11.983 10.082 1.00 0.00 H new ATOM 0 HB THR A 22 6.420 -10.611 10.451 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.377 -9.609 8.560 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.933 -11.894 8.984 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.654 -12.923 9.672 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.544 -12.377 7.982 1.00 0.00 H new ATOM 304 N ALA A 23 3.830 -9.816 11.351 1.00 0.00 N ATOM 305 CA ALA A 23 3.185 -8.695 12.025 1.00 0.00 C ATOM 306 C ALA A 23 3.513 -7.377 11.332 1.00 0.00 C ATOM 307 O ALA A 23 2.654 -6.504 11.200 1.00 0.00 O ATOM 308 CB ALA A 23 3.605 -8.645 13.486 1.00 0.00 C ATOM 0 H ALA A 23 4.226 -10.515 11.980 1.00 0.00 H new ATOM 0 HA ALA A 23 2.106 -8.844 11.974 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.116 -7.803 13.977 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.314 -9.572 13.980 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.686 -8.524 13.550 1.00 0.00 H new ATOM 314 N ARG A 24 4.759 -7.238 10.893 1.00 0.00 N ATOM 315 CA ARG A 24 5.201 -6.025 10.216 1.00 0.00 C ATOM 316 C ARG A 24 4.329 -5.735 8.997 1.00 0.00 C ATOM 317 O ARG A 24 3.790 -4.638 8.855 1.00 0.00 O ATOM 318 CB ARG A 24 6.664 -6.156 9.790 1.00 0.00 C ATOM 319 CG ARG A 24 7.651 -5.685 10.846 1.00 0.00 C ATOM 320 CD ARG A 24 7.867 -4.181 10.774 1.00 0.00 C ATOM 321 NE ARG A 24 8.457 -3.653 12.001 1.00 0.00 N ATOM 322 CZ ARG A 24 7.777 -3.485 13.130 1.00 0.00 C ATOM 323 NH1 ARG A 24 6.491 -3.801 13.186 1.00 0.00 N ATOM 324 NH2 ARG A 24 8.384 -2.999 14.205 1.00 0.00 N ATOM 0 H ARG A 24 5.481 -7.951 10.994 1.00 0.00 H new ATOM 0 HA ARG A 24 5.107 -5.194 10.915 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.872 -7.199 9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.820 -5.582 8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.283 -5.954 11.836 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.603 -6.198 10.710 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.517 -3.948 9.930 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.914 -3.686 10.588 1.00 0.00 H new ATOM 0 HE ARG A 24 9.445 -3.399 11.991 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.021 -4.174 12.361 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.971 -3.671 14.054 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.373 -2.754 14.165 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.861 -2.870 15.071 1.00 0.00 H new ATOM 338 N GLU A 25 4.197 -6.726 8.121 1.00 0.00 N ATOM 339 CA GLU A 25 3.393 -6.575 6.914 1.00 0.00 C ATOM 340 C GLU A 25 1.915 -6.425 7.261 1.00 0.00 C ATOM 341 O GLU A 25 1.521 -6.551 8.422 1.00 0.00 O ATOM 342 CB GLU A 25 3.591 -7.778 5.989 1.00 0.00 C ATOM 343 CG GLU A 25 4.907 -7.751 5.230 1.00 0.00 C ATOM 344 CD GLU A 25 5.068 -6.502 4.386 1.00 0.00 C ATOM 345 OE1 GLU A 25 4.051 -6.007 3.856 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.212 -6.017 4.257 1.00 0.00 O ATOM 0 H GLU A 25 4.636 -7.641 8.224 1.00 0.00 H new ATOM 0 HA GLU A 25 3.722 -5.672 6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.541 -8.692 6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.769 -7.815 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.732 -7.815 5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.970 -8.630 4.588 1.00 0.00 H new ATOM 353 N LEU A 26 1.100 -6.154 6.248 1.00 0.00 N ATOM 354 CA LEU A 26 -0.336 -5.986 6.444 1.00 0.00 C ATOM 355 C LEU A 26 -1.124 -6.932 5.543 1.00 0.00 C ATOM 356 O LEU A 26 -0.642 -7.345 4.488 1.00 0.00 O ATOM 357 CB LEU A 26 -0.743 -4.538 6.163 1.00 0.00 C ATOM 358 CG LEU A 26 -0.029 -3.468 6.990 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.359 -2.080 6.464 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.408 -3.588 8.459 1.00 0.00 C ATOM 0 H LEU A 26 1.409 -6.046 5.282 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.566 -6.227 7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.567 -4.330 5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.816 -4.444 6.332 1.00 0.00 H new ATOM 0 HG LEU A 26 1.046 -3.623 6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.158 -1.331 7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.037 -1.998 5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.435 -1.914 6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.109 -2.819 9.032 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.485 -3.460 8.569 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.120 -4.572 8.830 1.00 0.00 H new ATOM 372 N SER A 27 -2.338 -7.268 5.965 1.00 0.00 N ATOM 373 CA SER A 27 -3.192 -8.167 5.197 1.00 0.00 C ATOM 374 C SER A 27 -4.394 -7.419 4.628 1.00 0.00 C ATOM 375 O SER A 27 -5.200 -6.859 5.371 1.00 0.00 O ATOM 376 CB SER A 27 -3.668 -9.327 6.074 1.00 0.00 C ATOM 377 OG SER A 27 -4.386 -8.853 7.200 1.00 0.00 O ATOM 0 H SER A 27 -2.753 -6.932 6.834 1.00 0.00 H new ATOM 0 HA SER A 27 -2.606 -8.565 4.368 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.302 -9.993 5.489 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.810 -9.912 6.406 1.00 0.00 H new ATOM 0 HG SER A 27 -4.843 -8.018 6.969 1.00 0.00 H new ATOM 383 N PHE A 28 -4.508 -7.414 3.304 1.00 0.00 N ATOM 384 CA PHE A 28 -5.610 -6.735 2.633 1.00 0.00 C ATOM 385 C PHE A 28 -6.196 -7.609 1.528 1.00 0.00 C ATOM 386 O PHE A 28 -5.482 -8.381 0.887 1.00 0.00 O ATOM 387 CB PHE A 28 -5.136 -5.403 2.048 1.00 0.00 C ATOM 388 CG PHE A 28 -3.831 -5.503 1.311 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.802 -5.864 -0.027 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.634 -5.236 1.955 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.603 -5.956 -0.709 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.432 -5.327 1.279 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.416 -5.688 -0.055 1.00 0.00 C ATOM 0 H PHE A 28 -3.850 -7.873 2.674 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.389 -6.543 3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.899 -5.021 1.370 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.034 -4.677 2.854 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.727 -6.076 -0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.640 -4.953 2.997 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.594 -6.237 -1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.506 -5.116 1.793 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.478 -5.760 -0.585 1.00 0.00 H new ATOM 403 N LYS A 29 -7.500 -7.482 1.311 1.00 0.00 N ATOM 404 CA LYS A 29 -8.184 -8.259 0.283 1.00 0.00 C ATOM 405 C LYS A 29 -8.043 -7.596 -1.083 1.00 0.00 C ATOM 406 O LYS A 29 -7.715 -6.413 -1.181 1.00 0.00 O ATOM 407 CB LYS A 29 -9.665 -8.416 0.635 1.00 0.00 C ATOM 408 CG LYS A 29 -9.969 -9.666 1.443 1.00 0.00 C ATOM 409 CD LYS A 29 -9.128 -9.731 2.707 1.00 0.00 C ATOM 410 CE LYS A 29 -8.837 -11.169 3.109 1.00 0.00 C ATOM 411 NZ LYS A 29 -8.366 -11.266 4.519 1.00 0.00 N ATOM 0 H LYS A 29 -8.105 -6.848 1.833 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.721 -9.245 0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.991 -7.541 1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.248 -8.438 -0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.026 -9.681 1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.780 -10.549 0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.190 -9.199 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.649 -9.223 3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.738 -11.770 2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.081 -11.586 2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.178 -12.261 4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.493 -10.713 4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.098 -10.891 5.156 1.00 0.00 H new ATOM 425 N LYS A 30 -8.294 -8.365 -2.137 1.00 0.00 N ATOM 426 CA LYS A 30 -8.199 -7.853 -3.499 1.00 0.00 C ATOM 427 C LYS A 30 -9.152 -6.681 -3.708 1.00 0.00 C ATOM 428 O LYS A 30 -10.328 -6.753 -3.352 1.00 0.00 O ATOM 429 CB LYS A 30 -8.509 -8.963 -4.506 1.00 0.00 C ATOM 430 CG LYS A 30 -8.537 -8.485 -5.948 1.00 0.00 C ATOM 431 CD LYS A 30 -8.601 -9.651 -6.920 1.00 0.00 C ATOM 432 CE LYS A 30 -9.249 -9.245 -8.235 1.00 0.00 C ATOM 433 NZ LYS A 30 -10.705 -8.975 -8.076 1.00 0.00 N ATOM 0 H LYS A 30 -8.565 -9.346 -2.074 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.180 -7.501 -3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.762 -9.751 -4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.474 -9.406 -4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.399 -7.835 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.648 -7.888 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.594 -10.024 -7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.165 -10.469 -6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.755 -8.355 -8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.105 -10.036 -8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.175 -9.053 -9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.117 -9.668 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.841 -8.016 -7.698 1.00 0.00 H new ATOM 447 N GLY A 31 -8.637 -5.601 -4.289 1.00 0.00 N ATOM 448 CA GLY A 31 -9.458 -4.430 -4.536 1.00 0.00 C ATOM 449 C GLY A 31 -9.503 -3.492 -3.346 1.00 0.00 C ATOM 450 O GLY A 31 -9.665 -2.283 -3.506 1.00 0.00 O ATOM 0 H GLY A 31 -7.667 -5.516 -4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.070 -3.894 -5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.471 -4.746 -4.784 1.00 0.00 H new ATOM 454 N ALA A 32 -9.361 -4.051 -2.148 1.00 0.00 N ATOM 455 CA ALA A 32 -9.386 -3.256 -0.927 1.00 0.00 C ATOM 456 C ALA A 32 -8.555 -1.987 -1.080 1.00 0.00 C ATOM 457 O ALA A 32 -7.476 -2.008 -1.673 1.00 0.00 O ATOM 458 CB ALA A 32 -8.883 -4.080 0.249 1.00 0.00 C ATOM 0 H ALA A 32 -9.228 -5.051 -1.998 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.418 -2.962 -0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.907 -3.474 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.521 -4.954 0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.860 -4.403 0.056 1.00 0.00 H new ATOM 464 N SER A 33 -9.064 -0.883 -0.543 1.00 0.00 N ATOM 465 CA SER A 33 -8.369 0.397 -0.624 1.00 0.00 C ATOM 466 C SER A 33 -7.260 0.480 0.420 1.00 0.00 C ATOM 467 O SER A 33 -7.493 0.261 1.610 1.00 0.00 O ATOM 468 CB SER A 33 -9.357 1.549 -0.430 1.00 0.00 C ATOM 469 OG SER A 33 -8.675 2.778 -0.243 1.00 0.00 O ATOM 0 H SER A 33 -9.955 -0.849 -0.047 1.00 0.00 H new ATOM 0 HA SER A 33 -7.918 0.477 -1.613 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.012 1.621 -1.298 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.992 1.347 0.432 1.00 0.00 H new ATOM 0 HG SER A 33 -9.328 3.499 -0.123 1.00 0.00 H new ATOM 475 N LEU A 34 -6.053 0.799 -0.033 1.00 0.00 N ATOM 476 CA LEU A 34 -4.906 0.912 0.861 1.00 0.00 C ATOM 477 C LEU A 34 -4.251 2.284 0.735 1.00 0.00 C ATOM 478 O LEU A 34 -4.137 2.831 -0.362 1.00 0.00 O ATOM 479 CB LEU A 34 -3.884 -0.183 0.552 1.00 0.00 C ATOM 480 CG LEU A 34 -4.440 -1.601 0.413 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.583 -2.420 -0.538 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.525 -2.276 1.774 1.00 0.00 C ATOM 0 H LEU A 34 -5.843 0.984 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.261 0.791 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.372 0.077 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.133 -0.185 1.342 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.446 -1.537 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.994 -3.426 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.574 -1.946 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.565 -2.476 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.923 -3.284 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.531 -2.328 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.183 -1.700 2.425 1.00 0.00 H new ATOM 494 N LEU A 35 -3.820 2.834 1.866 1.00 0.00 N ATOM 495 CA LEU A 35 -3.174 4.142 1.882 1.00 0.00 C ATOM 496 C LEU A 35 -1.657 3.999 1.951 1.00 0.00 C ATOM 497 O LEU A 35 -1.136 3.125 2.645 1.00 0.00 O ATOM 498 CB LEU A 35 -3.674 4.964 3.071 1.00 0.00 C ATOM 499 CG LEU A 35 -3.709 6.480 2.872 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.819 6.866 1.907 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.888 7.189 4.206 1.00 0.00 C ATOM 0 H LEU A 35 -3.906 2.395 2.783 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.430 4.658 0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.680 4.627 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.040 4.745 3.931 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.757 6.793 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.829 7.948 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.646 6.387 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.779 6.540 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.911 8.267 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.824 6.871 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.057 6.938 4.866 1.00 0.00 H new ATOM 513 N LEU A 36 -0.954 4.863 1.228 1.00 0.00 N ATOM 514 CA LEU A 36 0.505 4.835 1.208 1.00 0.00 C ATOM 515 C LEU A 36 1.082 6.146 1.733 1.00 0.00 C ATOM 516 O LEU A 36 0.631 7.229 1.357 1.00 0.00 O ATOM 517 CB LEU A 36 1.010 4.574 -0.212 1.00 0.00 C ATOM 518 CG LEU A 36 0.507 3.293 -0.878 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.215 3.069 -2.206 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.707 2.099 0.043 1.00 0.00 C ATOM 0 H LEU A 36 -1.370 5.592 0.648 1.00 0.00 H new ATOM 0 HA LEU A 36 0.838 4.027 1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.727 5.420 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.099 4.544 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.560 3.402 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.844 2.153 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.020 3.912 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.288 2.981 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.343 1.196 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.767 1.987 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.154 2.257 0.969 1.00 0.00 H new ATOM 532 N TYR A 37 2.082 6.041 2.600 1.00 0.00 N ATOM 533 CA TYR A 37 2.721 7.218 3.176 1.00 0.00 C ATOM 534 C TYR A 37 4.122 7.412 2.604 1.00 0.00 C ATOM 535 O TYR A 37 4.491 8.514 2.199 1.00 0.00 O ATOM 536 CB TYR A 37 2.793 7.091 4.699 1.00 0.00 C ATOM 537 CG TYR A 37 1.438 6.998 5.364 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.413 7.871 5.020 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.183 6.039 6.335 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.826 7.791 5.625 1.00 0.00 C ATOM 541 CE2 TYR A 37 -0.054 5.950 6.944 1.00 0.00 C ATOM 542 CZ TYR A 37 -1.055 6.828 6.586 1.00 0.00 C ATOM 543 OH TYR A 37 -2.288 6.744 7.191 1.00 0.00 O ATOM 0 H TYR A 37 2.468 5.153 2.920 1.00 0.00 H new ATOM 0 HA TYR A 37 2.119 8.090 2.919 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.375 6.205 4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.328 7.951 5.102 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.588 8.625 4.267 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.965 5.351 6.619 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.611 8.479 5.347 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.236 5.197 7.696 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.283 6.012 7.843 1.00 0.00 H new ATOM 553 N GLN A 38 4.897 6.333 2.575 1.00 0.00 N ATOM 554 CA GLN A 38 6.257 6.384 2.053 1.00 0.00 C ATOM 555 C GLN A 38 6.713 5.006 1.585 1.00 0.00 C ATOM 556 O GLN A 38 6.331 3.986 2.160 1.00 0.00 O ATOM 557 CB GLN A 38 7.216 6.916 3.119 1.00 0.00 C ATOM 558 CG GLN A 38 7.264 8.434 3.192 1.00 0.00 C ATOM 559 CD GLN A 38 8.253 8.938 4.224 1.00 0.00 C ATOM 560 OE1 GLN A 38 9.363 8.419 4.343 1.00 0.00 O ATOM 561 NE2 GLN A 38 7.854 9.956 4.978 1.00 0.00 N ATOM 0 H GLN A 38 4.606 5.413 2.907 1.00 0.00 H new ATOM 0 HA GLN A 38 6.265 7.059 1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.919 6.523 4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.218 6.539 2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.531 8.833 2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.271 8.814 3.431 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.925 10.356 4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.477 10.338 5.690 1.00 0.00 H new ATOM 570 N ARG A 39 7.532 4.982 0.538 1.00 0.00 N ATOM 571 CA ARG A 39 8.038 3.729 -0.008 1.00 0.00 C ATOM 572 C ARG A 39 9.144 3.159 0.875 1.00 0.00 C ATOM 573 O ARG A 39 10.296 3.584 0.795 1.00 0.00 O ATOM 574 CB ARG A 39 8.563 3.942 -1.429 1.00 0.00 C ATOM 575 CG ARG A 39 9.146 2.687 -2.058 1.00 0.00 C ATOM 576 CD ARG A 39 8.088 1.903 -2.819 1.00 0.00 C ATOM 577 NE ARG A 39 8.678 1.021 -3.823 1.00 0.00 N ATOM 578 CZ ARG A 39 9.090 1.436 -5.015 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.978 2.713 -5.351 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.616 0.572 -5.874 1.00 0.00 N ATOM 0 H ARG A 39 7.859 5.817 0.051 1.00 0.00 H new ATOM 0 HA ARG A 39 7.215 3.015 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.750 4.309 -2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.328 4.718 -1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.955 2.960 -2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.579 2.057 -1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.500 1.311 -2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.402 2.597 -3.304 1.00 0.00 H new ATOM 0 HE ARG A 39 8.779 0.032 -3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.574 3.380 -4.693 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.295 3.029 -6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.704 -0.412 -5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.932 0.892 -6.790 1.00 0.00 H new ATOM 594 N ALA A 40 8.785 2.194 1.716 1.00 0.00 N ATOM 595 CA ALA A 40 9.747 1.565 2.612 1.00 0.00 C ATOM 596 C ALA A 40 10.930 0.996 1.836 1.00 0.00 C ATOM 597 O ALA A 40 12.081 1.141 2.246 1.00 0.00 O ATOM 598 CB ALA A 40 9.072 0.471 3.427 1.00 0.00 C ATOM 0 H ALA A 40 7.835 1.831 1.795 1.00 0.00 H new ATOM 0 HA ALA A 40 10.126 2.328 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.802 0.010 4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.265 0.903 4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.665 -0.285 2.755 1.00 0.00 H new ATOM 604 N SER A 41 10.638 0.346 0.713 1.00 0.00 N ATOM 605 CA SER A 41 11.677 -0.249 -0.118 1.00 0.00 C ATOM 606 C SER A 41 11.196 -0.411 -1.557 1.00 0.00 C ATOM 607 O SER A 41 10.020 -0.204 -1.857 1.00 0.00 O ATOM 608 CB SER A 41 12.096 -1.608 0.448 1.00 0.00 C ATOM 609 OG SER A 41 13.348 -2.015 -0.078 1.00 0.00 O ATOM 0 H SER A 41 9.690 0.219 0.359 1.00 0.00 H new ATOM 0 HA SER A 41 12.538 0.420 -0.114 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.156 -1.550 1.535 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.338 -2.354 0.210 1.00 0.00 H new ATOM 0 HG SER A 41 13.594 -2.885 0.300 1.00 0.00 H new ATOM 615 N ASP A 42 12.114 -0.783 -2.442 1.00 0.00 N ATOM 616 CA ASP A 42 11.785 -0.975 -3.850 1.00 0.00 C ATOM 617 C ASP A 42 10.717 -2.051 -4.017 1.00 0.00 C ATOM 618 O ASP A 42 10.010 -2.088 -5.024 1.00 0.00 O ATOM 619 CB ASP A 42 13.037 -1.354 -4.642 1.00 0.00 C ATOM 620 CG ASP A 42 13.957 -0.171 -4.871 1.00 0.00 C ATOM 621 OD1 ASP A 42 14.145 0.627 -3.928 1.00 0.00 O ATOM 622 OD2 ASP A 42 14.490 -0.043 -5.993 1.00 0.00 O ATOM 0 H ASP A 42 13.092 -0.958 -2.210 1.00 0.00 H new ATOM 0 HA ASP A 42 11.391 -0.035 -4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.579 -2.134 -4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.742 -1.773 -5.604 1.00 0.00 H new ATOM 627 N ASP A 43 10.606 -2.926 -3.023 1.00 0.00 N ATOM 628 CA ASP A 43 9.625 -4.005 -3.060 1.00 0.00 C ATOM 629 C ASP A 43 8.741 -3.978 -1.817 1.00 0.00 C ATOM 630 O ASP A 43 8.232 -5.011 -1.383 1.00 0.00 O ATOM 631 CB ASP A 43 10.327 -5.359 -3.172 1.00 0.00 C ATOM 632 CG ASP A 43 10.764 -5.668 -4.591 1.00 0.00 C ATOM 633 OD1 ASP A 43 11.865 -5.227 -4.983 1.00 0.00 O ATOM 634 OD2 ASP A 43 10.005 -6.353 -5.308 1.00 0.00 O ATOM 0 H ASP A 43 11.183 -2.909 -2.182 1.00 0.00 H new ATOM 0 HA ASP A 43 8.994 -3.859 -3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.198 -5.369 -2.516 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.656 -6.143 -2.823 1.00 0.00 H new ATOM 639 N TRP A 44 8.566 -2.790 -1.248 1.00 0.00 N ATOM 640 CA TRP A 44 7.744 -2.629 -0.053 1.00 0.00 C ATOM 641 C TRP A 44 7.232 -1.198 0.066 1.00 0.00 C ATOM 642 O TRP A 44 7.725 -0.295 -0.609 1.00 0.00 O ATOM 643 CB TRP A 44 8.545 -3.004 1.195 1.00 0.00 C ATOM 644 CG TRP A 44 8.843 -4.469 1.292 1.00 0.00 C ATOM 645 CD1 TRP A 44 10.072 -5.062 1.224 1.00 0.00 C ATOM 646 CD2 TRP A 44 7.895 -5.527 1.472 1.00 0.00 C ATOM 647 NE1 TRP A 44 9.945 -6.424 1.351 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.619 -6.735 1.506 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.505 -5.571 1.611 1.00 0.00 C ATOM 650 CZ2 TRP A 44 7.999 -7.970 1.671 1.00 0.00 C ATOM 651 CZ3 TRP A 44 5.891 -6.798 1.774 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.637 -7.983 1.804 1.00 0.00 C ATOM 0 H TRP A 44 8.982 -1.925 -1.594 1.00 0.00 H new ATOM 0 HA TRP A 44 6.886 -3.295 -0.139 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.483 -2.449 1.196 1.00 0.00 H new ATOM 0 HB3 TRP A 44 7.990 -2.694 2.081 1.00 0.00 H new ATOM 0 HD1 TRP A 44 11.006 -4.537 1.090 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.713 -7.095 1.333 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.921 -4.662 1.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.572 -8.885 1.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.817 -6.844 1.880 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.127 -8.926 1.935 1.00 0.00 H new ATOM 663 N TRP A 45 6.242 -0.999 0.928 1.00 0.00 N ATOM 664 CA TRP A 45 5.664 0.324 1.135 1.00 0.00 C ATOM 665 C TRP A 45 5.310 0.539 2.603 1.00 0.00 C ATOM 666 O TRP A 45 5.179 -0.418 3.365 1.00 0.00 O ATOM 667 CB TRP A 45 4.417 0.500 0.267 1.00 0.00 C ATOM 668 CG TRP A 45 4.730 0.829 -1.162 1.00 0.00 C ATOM 669 CD1 TRP A 45 5.055 -0.052 -2.153 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.749 2.131 -1.756 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.276 0.625 -3.329 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.093 1.965 -3.112 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.507 3.421 -1.276 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.202 3.040 -3.990 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.616 4.488 -2.148 1.00 0.00 C ATOM 676 CH2 TRP A 45 4.960 4.292 -3.493 1.00 0.00 C ATOM 0 H TRP A 45 5.823 -1.736 1.495 1.00 0.00 H new ATOM 0 HA TRP A 45 6.407 1.067 0.846 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.827 -0.416 0.301 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.799 1.293 0.688 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.128 -1.123 -2.031 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.534 0.199 -4.219 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.240 3.581 -0.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.468 2.891 -5.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.433 5.489 -1.787 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.036 5.146 -4.150 1.00 0.00 H new ATOM 687 N GLU A 46 5.158 1.802 2.991 1.00 0.00 N ATOM 688 CA GLU A 46 4.820 2.141 4.369 1.00 0.00 C ATOM 689 C GLU A 46 3.518 2.934 4.430 1.00 0.00 C ATOM 690 O GLU A 46 3.498 4.137 4.174 1.00 0.00 O ATOM 691 CB GLU A 46 5.951 2.947 5.011 1.00 0.00 C ATOM 692 CG GLU A 46 7.278 2.207 5.054 1.00 0.00 C ATOM 693 CD GLU A 46 8.147 2.634 6.220 1.00 0.00 C ATOM 694 OE1 GLU A 46 8.619 3.790 6.215 1.00 0.00 O ATOM 695 OE2 GLU A 46 8.355 1.814 7.138 1.00 0.00 O ATOM 0 H GLU A 46 5.263 2.606 2.372 1.00 0.00 H new ATOM 0 HA GLU A 46 4.686 1.212 4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.081 3.878 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.662 3.217 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.090 1.135 5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.816 2.380 4.122 1.00 0.00 H new ATOM 702 N GLY A 47 2.430 2.249 4.772 1.00 0.00 N ATOM 703 CA GLY A 47 1.138 2.904 4.860 1.00 0.00 C ATOM 704 C GLY A 47 0.304 2.388 6.016 1.00 0.00 C ATOM 705 O GLY A 47 0.843 1.963 7.038 1.00 0.00 O ATOM 0 H GLY A 47 2.421 1.253 4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.286 3.978 4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.594 2.754 3.928 1.00 0.00 H new ATOM 709 N ARG A 48 -1.014 2.425 5.854 1.00 0.00 N ATOM 710 CA ARG A 48 -1.924 1.959 6.894 1.00 0.00 C ATOM 711 C ARG A 48 -3.108 1.212 6.286 1.00 0.00 C ATOM 712 O ARG A 48 -3.640 1.609 5.249 1.00 0.00 O ATOM 713 CB ARG A 48 -2.427 3.140 7.728 1.00 0.00 C ATOM 714 CG ARG A 48 -3.377 2.737 8.844 1.00 0.00 C ATOM 715 CD ARG A 48 -3.743 3.925 9.720 1.00 0.00 C ATOM 716 NE ARG A 48 -2.800 4.105 10.820 1.00 0.00 N ATOM 717 CZ ARG A 48 -2.668 5.240 11.496 1.00 0.00 C ATOM 718 NH1 ARG A 48 -3.414 6.291 11.186 1.00 0.00 N ATOM 719 NH2 ARG A 48 -1.787 5.326 12.485 1.00 0.00 N ATOM 0 H ARG A 48 -1.476 2.772 5.013 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.376 1.273 7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.572 3.659 8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.931 3.849 7.071 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.282 2.307 8.415 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.914 1.962 9.455 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.768 4.829 9.112 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.746 3.783 10.122 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.210 3.316 11.084 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.092 6.229 10.426 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.310 7.162 11.707 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.211 4.520 12.726 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.686 6.198 13.004 1.00 0.00 H new ATOM 733 N HIS A 49 -3.515 0.128 6.939 1.00 0.00 N ATOM 734 CA HIS A 49 -4.635 -0.675 6.462 1.00 0.00 C ATOM 735 C HIS A 49 -5.592 -1.004 7.604 1.00 0.00 C ATOM 736 O HIS A 49 -5.191 -1.570 8.620 1.00 0.00 O ATOM 737 CB HIS A 49 -4.128 -1.966 5.819 1.00 0.00 C ATOM 738 CG HIS A 49 -5.224 -2.888 5.381 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.528 -4.062 6.038 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.092 -2.803 4.346 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.534 -4.659 5.425 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.895 -3.915 4.395 1.00 0.00 N ATOM 0 H HIS A 49 -3.086 -0.214 7.799 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.174 -0.093 5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.510 -1.714 4.957 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.487 -2.488 6.529 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.143 -2.008 3.617 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.985 -5.596 5.716 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.648 -4.132 3.742 1.00 0.00 H new ATOM 751 N ASN A 50 -6.860 -0.644 7.430 1.00 0.00 N ATOM 752 CA ASN A 50 -7.874 -0.899 8.447 1.00 0.00 C ATOM 753 C ASN A 50 -7.403 -0.420 9.817 1.00 0.00 C ATOM 754 O ASN A 50 -7.695 -1.042 10.837 1.00 0.00 O ATOM 755 CB ASN A 50 -8.206 -2.392 8.502 1.00 0.00 C ATOM 756 CG ASN A 50 -9.601 -2.655 9.035 1.00 0.00 C ATOM 757 OD1 ASN A 50 -10.571 -2.035 8.599 1.00 0.00 O ATOM 758 ND2 ASN A 50 -9.707 -3.578 9.984 1.00 0.00 N ATOM 0 H ASN A 50 -7.210 -0.175 6.594 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.772 -0.343 8.177 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.115 -2.819 7.503 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.477 -2.900 9.133 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.620 -3.798 10.382 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.875 -4.067 10.315 1.00 0.00 H new ATOM 765 N GLY A 51 -6.673 0.690 9.830 1.00 0.00 N ATOM 766 CA GLY A 51 -6.173 1.235 11.080 1.00 0.00 C ATOM 767 C GLY A 51 -4.969 0.477 11.602 1.00 0.00 C ATOM 768 O GLY A 51 -4.729 0.437 12.809 1.00 0.00 O ATOM 0 H GLY A 51 -6.418 1.222 8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.905 2.282 10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.966 1.210 11.827 1.00 0.00 H new ATOM 772 N ILE A 52 -4.211 -0.126 10.692 1.00 0.00 N ATOM 773 CA ILE A 52 -3.026 -0.886 11.069 1.00 0.00 C ATOM 774 C ILE A 52 -1.814 -0.457 10.249 1.00 0.00 C ATOM 775 O ILE A 52 -1.780 -0.637 9.031 1.00 0.00 O ATOM 776 CB ILE A 52 -3.246 -2.400 10.885 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.591 -2.818 11.482 1.00 0.00 C ATOM 778 CG2 ILE A 52 -2.110 -3.182 11.526 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.601 -2.835 12.995 1.00 0.00 C ATOM 0 H ILE A 52 -4.396 -0.103 9.689 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.841 -0.679 12.123 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.258 -2.623 9.818 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.364 -2.135 11.129 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.850 -3.811 11.114 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.280 -4.250 11.388 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.166 -2.901 11.059 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.069 -2.956 12.592 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.586 -3.140 13.349 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.851 -3.539 13.356 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.373 -1.838 13.372 1.00 0.00 H new ATOM 791 N ASP A 53 -0.820 0.110 10.924 1.00 0.00 N ATOM 792 CA ASP A 53 0.396 0.562 10.259 1.00 0.00 C ATOM 793 C ASP A 53 1.376 -0.592 10.075 1.00 0.00 C ATOM 794 O ASP A 53 1.622 -1.364 11.000 1.00 0.00 O ATOM 795 CB ASP A 53 1.055 1.685 11.063 1.00 0.00 C ATOM 796 CG ASP A 53 1.844 1.162 12.247 1.00 0.00 C ATOM 797 OD1 ASP A 53 1.242 0.975 13.325 1.00 0.00 O ATOM 798 OD2 ASP A 53 3.064 0.941 12.096 1.00 0.00 O ATOM 0 H ASP A 53 -0.833 0.267 11.932 1.00 0.00 H new ATOM 0 HA ASP A 53 0.123 0.943 9.275 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.718 2.254 10.411 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.288 2.373 11.417 1.00 0.00 H new ATOM 803 N GLY A 54 1.933 -0.703 8.873 1.00 0.00 N ATOM 804 CA GLY A 54 2.879 -1.766 8.589 1.00 0.00 C ATOM 805 C GLY A 54 3.496 -1.640 7.210 1.00 0.00 C ATOM 806 O GLY A 54 3.698 -0.532 6.711 1.00 0.00 O ATOM 0 H GLY A 54 1.746 -0.076 8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.669 -1.755 9.340 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.375 -2.729 8.671 1.00 0.00 H new ATOM 810 N LEU A 55 3.800 -2.776 6.593 1.00 0.00 N ATOM 811 CA LEU A 55 4.400 -2.789 5.264 1.00 0.00 C ATOM 812 C LEU A 55 3.411 -3.307 4.224 1.00 0.00 C ATOM 813 O LEU A 55 2.511 -4.084 4.543 1.00 0.00 O ATOM 814 CB LEU A 55 5.662 -3.654 5.260 1.00 0.00 C ATOM 815 CG LEU A 55 6.880 -3.068 5.974 1.00 0.00 C ATOM 816 CD1 LEU A 55 7.928 -4.144 6.213 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.468 -1.918 5.170 1.00 0.00 C ATOM 0 H LEU A 55 3.641 -3.701 6.992 1.00 0.00 H new ATOM 0 HA LEU A 55 4.668 -1.765 5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.423 -4.613 5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.936 -3.857 4.225 1.00 0.00 H new ATOM 0 HG LEU A 55 6.558 -2.682 6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.788 -3.708 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.503 -4.935 6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.246 -4.561 5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.334 -1.513 5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.774 -2.279 4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.718 -1.136 5.051 1.00 0.00 H new ATOM 829 N ILE A 56 3.586 -2.872 2.981 1.00 0.00 N ATOM 830 CA ILE A 56 2.711 -3.295 1.894 1.00 0.00 C ATOM 831 C ILE A 56 3.514 -3.646 0.647 1.00 0.00 C ATOM 832 O ILE A 56 4.394 -2.901 0.214 1.00 0.00 O ATOM 833 CB ILE A 56 1.685 -2.202 1.540 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.824 -1.866 2.760 1.00 0.00 C ATOM 835 CG2 ILE A 56 0.813 -2.651 0.377 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.098 -0.544 2.640 1.00 0.00 C ATOM 0 H ILE A 56 4.325 -2.227 2.701 1.00 0.00 H new ATOM 0 HA ILE A 56 2.180 -4.181 2.242 1.00 0.00 H new ATOM 0 HB ILE A 56 2.223 -1.303 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.093 -2.661 2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.457 -1.845 3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.093 -1.868 0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.439 -2.845 -0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.281 -3.562 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.493 -0.370 3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.824 0.260 2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.561 -0.568 1.772 1.00 0.00 H new ATOM 848 N PRO A 57 3.205 -4.808 0.051 1.00 0.00 N ATOM 849 CA PRO A 57 3.884 -5.283 -1.157 1.00 0.00 C ATOM 850 C PRO A 57 3.536 -4.449 -2.385 1.00 0.00 C ATOM 851 O PRO A 57 2.395 -4.017 -2.551 1.00 0.00 O ATOM 852 CB PRO A 57 3.363 -6.714 -1.317 1.00 0.00 C ATOM 853 CG PRO A 57 2.041 -6.714 -0.631 1.00 0.00 C ATOM 854 CD PRO A 57 2.167 -5.746 0.512 1.00 0.00 C ATOM 0 HA PRO A 57 4.968 -5.217 -1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.264 -6.984 -2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.043 -7.436 -0.865 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.247 -6.410 -1.314 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.788 -7.711 -0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.225 -5.236 0.713 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.460 -6.248 1.434 1.00 0.00 H new ATOM 862 N HIS A 58 4.526 -4.225 -3.243 1.00 0.00 N ATOM 863 CA HIS A 58 4.323 -3.443 -4.457 1.00 0.00 C ATOM 864 C HIS A 58 3.875 -4.335 -5.611 1.00 0.00 C ATOM 865 O HIS A 58 3.642 -3.859 -6.721 1.00 0.00 O ATOM 866 CB HIS A 58 5.609 -2.707 -4.836 1.00 0.00 C ATOM 867 CG HIS A 58 5.488 -1.894 -6.088 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.256 -0.535 -6.083 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.569 -2.256 -7.390 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.198 -0.096 -7.327 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.385 -1.120 -8.140 1.00 0.00 N ATOM 0 H HIS A 58 5.477 -4.574 -3.120 1.00 0.00 H new ATOM 0 HA HIS A 58 3.539 -2.712 -4.261 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.899 -2.052 -4.014 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.411 -3.435 -4.961 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.745 -3.252 -7.768 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.027 0.927 -7.629 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.392 -1.075 -9.159 1.00 0.00 H new ATOM 879 N GLN A 59 3.758 -5.631 -5.339 1.00 0.00 N ATOM 880 CA GLN A 59 3.339 -6.589 -6.355 1.00 0.00 C ATOM 881 C GLN A 59 1.850 -6.896 -6.233 1.00 0.00 C ATOM 882 O GLN A 59 1.223 -7.366 -7.183 1.00 0.00 O ATOM 883 CB GLN A 59 4.150 -7.881 -6.233 1.00 0.00 C ATOM 884 CG GLN A 59 5.576 -7.755 -6.745 1.00 0.00 C ATOM 885 CD GLN A 59 5.669 -7.899 -8.252 1.00 0.00 C ATOM 886 OE1 GLN A 59 4.678 -8.188 -8.922 1.00 0.00 O ATOM 887 NE2 GLN A 59 6.865 -7.698 -8.793 1.00 0.00 N ATOM 0 H GLN A 59 3.947 -6.041 -4.424 1.00 0.00 H new ATOM 0 HA GLN A 59 3.521 -6.145 -7.334 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.174 -8.188 -5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.643 -8.672 -6.786 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.980 -6.786 -6.451 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.197 -8.516 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.660 -7.460 -8.200 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.989 -7.782 -9.802 1.00 0.00 H new ATOM 896 N TYR A 60 1.291 -6.629 -5.058 1.00 0.00 N ATOM 897 CA TYR A 60 -0.124 -6.879 -4.811 1.00 0.00 C ATOM 898 C TYR A 60 -0.890 -5.569 -4.652 1.00 0.00 C ATOM 899 O TYR A 60 -1.970 -5.537 -4.061 1.00 0.00 O ATOM 900 CB TYR A 60 -0.300 -7.742 -3.560 1.00 0.00 C ATOM 901 CG TYR A 60 0.393 -9.083 -3.646 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.774 -9.166 -3.777 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.333 -10.266 -3.596 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.411 -10.389 -3.857 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.296 -11.494 -3.674 1.00 0.00 C ATOM 906 CZ TYR A 60 1.668 -11.550 -3.805 1.00 0.00 C ATOM 907 OH TYR A 60 2.299 -12.770 -3.883 1.00 0.00 O ATOM 0 H TYR A 60 1.796 -6.240 -4.262 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.528 -7.412 -5.672 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.085 -7.199 -2.697 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.364 -7.903 -3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.359 -8.259 -3.817 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.407 -10.225 -3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.485 -10.436 -3.960 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.283 -12.405 -3.633 1.00 0.00 H new ATOM 0 HH TYR A 60 1.633 -13.487 -3.830 1.00 0.00 H new ATOM 917 N ILE A 61 -0.322 -4.492 -5.183 1.00 0.00 N ATOM 918 CA ILE A 61 -0.950 -3.179 -5.101 1.00 0.00 C ATOM 919 C ILE A 61 -0.484 -2.275 -6.237 1.00 0.00 C ATOM 920 O ILE A 61 0.615 -2.441 -6.766 1.00 0.00 O ATOM 921 CB ILE A 61 -0.648 -2.493 -3.756 1.00 0.00 C ATOM 922 CG1 ILE A 61 0.845 -2.178 -3.643 1.00 0.00 C ATOM 923 CG2 ILE A 61 -1.098 -3.373 -2.599 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.217 -0.815 -4.185 1.00 0.00 C ATOM 0 H ILE A 61 0.572 -4.502 -5.675 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.025 -3.338 -5.184 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.203 -1.556 -3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.143 -2.238 -2.596 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.411 -2.940 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.878 -2.874 -1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.171 -3.551 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.568 -4.325 -2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.290 -0.659 -4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.951 -0.758 -5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.679 -0.045 -3.633 1.00 0.00 H new ATOM 936 N VAL A 62 -1.326 -1.315 -6.606 1.00 0.00 N ATOM 937 CA VAL A 62 -1.000 -0.382 -7.677 1.00 0.00 C ATOM 938 C VAL A 62 -0.977 1.055 -7.166 1.00 0.00 C ATOM 939 O VAL A 62 -1.955 1.539 -6.598 1.00 0.00 O ATOM 940 CB VAL A 62 -2.006 -0.486 -8.839 1.00 0.00 C ATOM 941 CG1 VAL A 62 -1.639 0.485 -9.951 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.068 -1.912 -9.363 1.00 0.00 C ATOM 0 H VAL A 62 -2.240 -1.163 -6.178 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.008 -0.652 -8.040 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.995 -0.217 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.361 0.398 -10.763 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.651 1.504 -9.563 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.642 0.251 -10.324 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.783 -1.967 -10.183 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.083 -2.212 -9.720 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.382 -2.581 -8.562 1.00 0.00 H new ATOM 952 N VAL A 63 0.148 1.733 -7.373 1.00 0.00 N ATOM 953 CA VAL A 63 0.299 3.115 -6.935 1.00 0.00 C ATOM 954 C VAL A 63 -0.296 4.082 -7.953 1.00 0.00 C ATOM 955 O VAL A 63 0.231 4.240 -9.054 1.00 0.00 O ATOM 956 CB VAL A 63 1.779 3.473 -6.707 1.00 0.00 C ATOM 957 CG1 VAL A 63 1.917 4.923 -6.268 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.402 2.536 -5.682 1.00 0.00 C ATOM 0 H VAL A 63 0.968 1.347 -7.841 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.239 3.209 -5.992 1.00 0.00 H new ATOM 0 HB VAL A 63 2.313 3.351 -7.649 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.970 5.157 -6.112 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.510 5.577 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.370 5.075 -5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.448 2.803 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.867 2.624 -4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.338 1.509 -6.041 1.00 0.00 H new ATOM 968 N GLN A 64 -1.395 4.727 -7.576 1.00 0.00 N ATOM 969 CA GLN A 64 -2.061 5.679 -8.457 1.00 0.00 C ATOM 970 C GLN A 64 -1.327 7.017 -8.468 1.00 0.00 C ATOM 971 O GLN A 64 -1.389 7.777 -7.501 1.00 0.00 O ATOM 972 CB GLN A 64 -3.512 5.884 -8.018 1.00 0.00 C ATOM 973 CG GLN A 64 -4.316 4.595 -7.956 1.00 0.00 C ATOM 974 CD GLN A 64 -5.004 4.272 -9.267 1.00 0.00 C ATOM 975 OE1 GLN A 64 -5.187 5.145 -10.117 1.00 0.00 O ATOM 976 NE2 GLN A 64 -5.388 3.013 -9.440 1.00 0.00 N ATOM 0 H GLN A 64 -1.843 4.608 -6.667 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.049 5.270 -9.467 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.523 6.357 -7.036 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.998 6.573 -8.709 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.655 3.772 -7.685 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.064 4.676 -7.168 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.216 2.322 -8.709 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.855 2.736 -10.304 1.00 0.00 H new ATOM 985 N ASP A 65 -0.634 7.296 -9.566 1.00 0.00 N ATOM 986 CA ASP A 65 0.111 8.542 -9.702 1.00 0.00 C ATOM 987 C ASP A 65 -0.719 9.595 -10.431 1.00 0.00 C ATOM 988 O ASP A 65 -0.685 9.688 -11.659 1.00 0.00 O ATOM 989 CB ASP A 65 1.421 8.298 -10.453 1.00 0.00 C ATOM 990 CG ASP A 65 2.430 7.529 -9.623 1.00 0.00 C ATOM 991 OD1 ASP A 65 2.355 7.604 -8.379 1.00 0.00 O ATOM 992 OD2 ASP A 65 3.293 6.851 -10.218 1.00 0.00 O ATOM 0 H ASP A 65 -0.572 6.677 -10.374 1.00 0.00 H new ATOM 0 HA ASP A 65 0.338 8.912 -8.702 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.213 7.746 -11.370 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.851 9.255 -10.747 1.00 0.00 H new ATOM 997 N THR A 66 -1.465 10.386 -9.667 1.00 0.00 N ATOM 998 CA THR A 66 -2.306 11.430 -10.239 1.00 0.00 C ATOM 999 C THR A 66 -2.253 12.701 -9.399 1.00 0.00 C ATOM 1000 O THR A 66 -2.517 12.673 -8.197 1.00 0.00 O ATOM 1001 CB THR A 66 -3.771 10.969 -10.359 1.00 0.00 C ATOM 1002 OG1 THR A 66 -3.836 9.720 -11.058 1.00 0.00 O ATOM 1003 CG2 THR A 66 -4.607 12.009 -11.090 1.00 0.00 C ATOM 0 H THR A 66 -1.504 10.324 -8.650 1.00 0.00 H new ATOM 0 HA THR A 66 -1.916 11.639 -11.235 1.00 0.00 H new ATOM 0 HB THR A 66 -4.173 10.844 -9.354 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.770 9.433 -11.129 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.638 11.662 -11.163 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.579 12.950 -10.541 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.204 12.161 -12.091 1.00 0.00 H new ATOM 1011 N SER A 67 -1.910 13.814 -10.039 1.00 0.00 N ATOM 1012 CA SER A 67 -1.820 15.095 -9.349 1.00 0.00 C ATOM 1013 C SER A 67 -3.154 15.462 -8.705 1.00 0.00 C ATOM 1014 O SER A 67 -3.215 15.789 -7.521 1.00 0.00 O ATOM 1015 CB SER A 67 -1.392 16.194 -10.324 1.00 0.00 C ATOM 1016 OG SER A 67 -0.021 16.074 -10.659 1.00 0.00 O ATOM 0 H SER A 67 -1.690 13.854 -11.034 1.00 0.00 H new ATOM 0 HA SER A 67 -1.071 15.004 -8.563 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.997 16.137 -11.229 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.576 17.172 -9.878 1.00 0.00 H new ATOM 0 HG SER A 67 0.227 16.787 -11.284 1.00 0.00 H new ATOM 1022 N GLY A 68 -4.221 15.403 -9.496 1.00 0.00 N ATOM 1023 CA GLY A 68 -5.540 15.731 -8.988 1.00 0.00 C ATOM 1024 C GLY A 68 -6.603 14.761 -9.463 1.00 0.00 C ATOM 1025 O GLY A 68 -6.538 14.231 -10.573 1.00 0.00 O ATOM 0 H GLY A 68 -4.195 15.134 -10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.516 15.733 -7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.807 16.740 -9.303 1.00 0.00 H new ATOM 1029 N PRO A 69 -7.608 14.514 -8.611 1.00 0.00 N ATOM 1030 CA PRO A 69 -8.708 13.598 -8.928 1.00 0.00 C ATOM 1031 C PRO A 69 -9.630 14.152 -10.009 1.00 0.00 C ATOM 1032 O PRO A 69 -10.541 13.466 -10.472 1.00 0.00 O ATOM 1033 CB PRO A 69 -9.458 13.470 -7.599 1.00 0.00 C ATOM 1034 CG PRO A 69 -9.146 14.729 -6.866 1.00 0.00 C ATOM 1035 CD PRO A 69 -7.749 15.110 -7.272 1.00 0.00 C ATOM 0 HA PRO A 69 -8.347 12.648 -9.322 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -10.531 13.360 -7.759 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.127 12.594 -7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.855 15.516 -7.123 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.212 14.580 -5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -7.619 16.192 -7.298 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -7.007 14.717 -6.577 1.00 0.00 H new ATOM 1043 N SER A 70 -9.388 15.397 -10.406 1.00 0.00 N ATOM 1044 CA SER A 70 -10.199 16.044 -11.431 1.00 0.00 C ATOM 1045 C SER A 70 -10.649 15.037 -12.484 1.00 0.00 C ATOM 1046 O SER A 70 -9.941 14.074 -12.781 1.00 0.00 O ATOM 1047 CB SER A 70 -9.412 17.176 -12.095 1.00 0.00 C ATOM 1048 OG SER A 70 -10.279 18.198 -12.554 1.00 0.00 O ATOM 0 H SER A 70 -8.637 15.978 -10.034 1.00 0.00 H new ATOM 0 HA SER A 70 -11.084 16.460 -10.950 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.698 17.592 -11.384 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.836 16.781 -12.931 1.00 0.00 H new ATOM 0 HG SER A 70 -9.752 18.910 -12.973 1.00 0.00 H new ATOM 1054 N SER A 71 -11.832 15.266 -13.046 1.00 0.00 N ATOM 1055 CA SER A 71 -12.380 14.377 -14.063 1.00 0.00 C ATOM 1056 C SER A 71 -11.271 13.817 -14.949 1.00 0.00 C ATOM 1057 O SER A 71 -10.376 14.544 -15.377 1.00 0.00 O ATOM 1058 CB SER A 71 -13.407 15.120 -14.920 1.00 0.00 C ATOM 1059 OG SER A 71 -14.295 14.214 -15.551 1.00 0.00 O ATOM 0 H SER A 71 -12.429 16.060 -12.814 1.00 0.00 H new ATOM 0 HA SER A 71 -12.872 13.546 -13.558 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.972 15.813 -14.297 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.893 15.716 -15.675 1.00 0.00 H new ATOM 0 HG SER A 71 -14.942 14.713 -16.091 1.00 0.00 H new ATOM 1065 N GLY A 72 -11.339 12.517 -15.221 1.00 0.00 N ATOM 1066 CA GLY A 72 -10.336 11.880 -16.054 1.00 0.00 C ATOM 1067 C GLY A 72 -9.080 11.528 -15.282 1.00 0.00 C ATOM 1068 O GLY A 72 -9.096 10.643 -14.426 1.00 0.00 O ATOM 0 H GLY A 72 -12.071 11.894 -14.879 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.755 10.974 -16.493 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.078 12.544 -16.879 1.00 0.00 H new TER 1072 GLY A 72