USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 472 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 39 ASN : amide:sc= -0.2 K(o=-0.06,f=0.63) USER MOD Set 1.2: A 42 THR OG1 : rot -120:sc= 0.14 USER MOD Set 2.1: A 7 SER OG : rot 105:sc= 1.13 USER MOD Set 2.2: A 53 ASN : amide:sc= -0.133 K(o=1,f=-0.66) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 8 LYS NZ :NH3+ -141:sc= -0.833 (180deg=-2.81!) USER MOD Single : A 9 TYR OH : rot -99:sc= 1.28 USER MOD Single : A 11 THR OG1 : rot 109:sc= 0.881 USER MOD Single : A 13 ASN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.64) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.0265 X(o=-0.027,f=-0.027) USER MOD Single : A 27 ASN : amide:sc= -0.295 K(o=-0.29,f=-8.6!) USER MOD Single : A 32 SER OG : rot -162:sc= -0.721 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.808 USER MOD Single : A 36 THR OG1 : rot 102:sc= 0.0789 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 45 MET CE :methyl -165:sc= -0.0702 (180deg=-0.37) USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= -0.0149 (180deg=-0.155) USER MOD Single : A 52 HIS : no HE2:sc= 0.54 K(o=0.54,f=-4.5!) USER MOD Single : A 55 LYS NZ :NH3+ -116:sc= 0.195 (180deg=-0.834!) USER MOD Single : A 59 ASN : amide:sc= -0.843 K(o=-0.84,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 12.693 -10.721 7.634 1.00 0.00 N ATOM 2 CA PRO A 1 11.356 -11.227 7.901 1.00 0.00 C ATOM 3 C PRO A 1 10.504 -10.083 8.424 1.00 0.00 C ATOM 4 O PRO A 1 10.940 -8.928 8.372 1.00 0.00 O ATOM 5 CB PRO A 1 11.458 -12.342 8.930 1.00 0.00 C ATOM 6 CG PRO A 1 12.866 -12.242 9.425 1.00 0.00 C ATOM 7 CD PRO A 1 13.669 -11.566 8.327 1.00 0.00 C ATOM 0 H2 PRO A 1 12.774 -9.755 7.952 1.00 0.00 H new ATOM 0 H3 PRO A 1 12.876 -10.721 6.631 1.00 0.00 H new ATOM 0 HA PRO A 1 10.896 -11.624 6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 1 10.739 -12.208 9.738 1.00 0.00 H new ATOM 0 HB3 PRO A 1 11.259 -13.317 8.485 1.00 0.00 H new ATOM 0 HG2 PRO A 1 12.911 -11.665 10.349 1.00 0.00 H new ATOM 0 HG3 PRO A 1 13.269 -13.230 9.647 1.00 0.00 H new ATOM 0 HD2 PRO A 1 14.487 -10.974 8.739 1.00 0.00 H new ATOM 0 HD3 PRO A 1 14.113 -12.297 7.651 1.00 0.00 H new ATOM 17 N GLN A 2 9.318 -10.387 8.922 1.00 0.00 N ATOM 18 CA GLN A 2 8.413 -9.385 9.440 1.00 0.00 C ATOM 19 C GLN A 2 7.377 -10.083 10.291 1.00 0.00 C ATOM 20 O GLN A 2 7.388 -11.314 10.392 1.00 0.00 O ATOM 21 CB GLN A 2 7.679 -8.668 8.292 1.00 0.00 C ATOM 22 CG GLN A 2 6.742 -9.585 7.507 1.00 0.00 C ATOM 23 CD GLN A 2 5.993 -8.875 6.418 1.00 0.00 C ATOM 24 OE1 GLN A 2 4.894 -8.366 6.629 1.00 0.00 O ATOM 25 NE2 GLN A 2 6.573 -8.831 5.258 1.00 0.00 N ATOM 0 H GLN A 2 8.958 -11.340 8.977 1.00 0.00 H new ATOM 0 HA GLN A 2 8.982 -8.654 10.014 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.104 -7.837 8.701 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.415 -8.242 7.610 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.322 -10.397 7.070 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.028 -10.038 8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.486 -9.267 5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.116 -8.360 4.477 1.00 0.00 H new ATOM 34 N PHE A 3 6.503 -9.308 10.870 1.00 0.00 N ATOM 35 CA PHE A 3 5.356 -9.801 11.584 1.00 0.00 C ATOM 36 C PHE A 3 4.354 -8.674 11.628 1.00 0.00 C ATOM 37 O PHE A 3 4.741 -7.509 11.787 1.00 0.00 O ATOM 38 CB PHE A 3 5.693 -10.300 13.014 1.00 0.00 C ATOM 39 CG PHE A 3 4.511 -10.952 13.677 1.00 0.00 C ATOM 40 CD1 PHE A 3 4.074 -12.189 13.250 1.00 0.00 C ATOM 41 CD2 PHE A 3 3.822 -10.319 14.695 1.00 0.00 C ATOM 42 CE1 PHE A 3 2.978 -12.786 13.829 1.00 0.00 C ATOM 43 CE2 PHE A 3 2.722 -10.908 15.277 1.00 0.00 C ATOM 44 CZ PHE A 3 2.301 -12.145 14.843 1.00 0.00 C ATOM 0 H PHE A 3 6.569 -8.290 10.859 1.00 0.00 H new ATOM 0 HA PHE A 3 4.958 -10.674 11.068 1.00 0.00 H new ATOM 0 HB2 PHE A 3 6.518 -11.010 12.965 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.031 -9.460 13.621 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.598 -12.694 12.452 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.151 -9.349 15.038 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.649 -13.757 13.489 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.192 -10.402 16.070 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.440 -12.613 15.298 1.00 0.00 H new ATOM 54 N GLY A 4 3.088 -8.988 11.481 1.00 0.00 N ATOM 55 CA GLY A 4 2.047 -7.982 11.433 1.00 0.00 C ATOM 56 C GLY A 4 1.707 -7.402 12.796 1.00 0.00 C ATOM 57 O GLY A 4 0.565 -7.443 13.234 1.00 0.00 O ATOM 0 H GLY A 4 2.749 -9.946 11.391 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.361 -7.175 10.771 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.149 -8.420 10.998 1.00 0.00 H new ATOM 61 N LEU A 5 2.700 -6.874 13.451 1.00 0.00 N ATOM 62 CA LEU A 5 2.539 -6.240 14.752 1.00 0.00 C ATOM 63 C LEU A 5 2.560 -4.728 14.597 1.00 0.00 C ATOM 64 O LEU A 5 2.293 -3.987 15.537 1.00 0.00 O ATOM 65 CB LEU A 5 3.621 -6.750 15.783 1.00 0.00 C ATOM 66 CG LEU A 5 5.055 -6.875 15.253 1.00 0.00 C ATOM 67 CD1 LEU A 5 5.681 -5.527 14.904 1.00 0.00 C ATOM 68 CD2 LEU A 5 5.930 -7.646 16.220 1.00 0.00 C ATOM 0 H LEU A 5 3.659 -6.865 13.104 1.00 0.00 H new ATOM 0 HA LEU A 5 1.570 -6.523 15.162 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.629 -6.071 16.636 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.307 -7.725 16.155 1.00 0.00 H new ATOM 0 HG LEU A 5 4.990 -7.437 14.321 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.695 -5.681 14.535 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.085 -5.038 14.134 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.711 -4.898 15.794 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.940 -7.719 15.818 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.957 -7.128 17.179 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.523 -8.647 16.360 1.00 0.00 H new ATOM 80 N PHE A 6 2.904 -4.292 13.403 1.00 0.00 N ATOM 81 CA PHE A 6 2.975 -2.877 13.091 1.00 0.00 C ATOM 82 C PHE A 6 1.620 -2.325 12.666 1.00 0.00 C ATOM 83 O PHE A 6 1.378 -1.120 12.737 1.00 0.00 O ATOM 84 CB PHE A 6 4.071 -2.586 12.033 1.00 0.00 C ATOM 85 CG PHE A 6 4.053 -3.478 10.801 1.00 0.00 C ATOM 86 CD1 PHE A 6 3.113 -3.303 9.796 1.00 0.00 C ATOM 87 CD2 PHE A 6 4.991 -4.490 10.656 1.00 0.00 C ATOM 88 CE1 PHE A 6 3.109 -4.121 8.678 1.00 0.00 C ATOM 89 CE2 PHE A 6 4.990 -5.307 9.540 1.00 0.00 C ATOM 90 CZ PHE A 6 4.048 -5.122 8.551 1.00 0.00 C ATOM 0 H PHE A 6 3.142 -4.905 12.623 1.00 0.00 H new ATOM 0 HA PHE A 6 3.259 -2.356 14.005 1.00 0.00 H new ATOM 0 HB2 PHE A 6 3.972 -1.550 11.710 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.046 -2.679 12.512 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.375 -2.519 9.886 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.733 -4.642 11.426 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.369 -3.974 7.905 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.727 -6.090 9.443 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.046 -5.759 7.679 1.00 0.00 H new ATOM 100 N SER A 7 0.741 -3.207 12.263 1.00 0.00 N ATOM 101 CA SER A 7 -0.564 -2.843 11.807 1.00 0.00 C ATOM 102 C SER A 7 -1.367 -4.118 11.691 1.00 0.00 C ATOM 103 O SER A 7 -0.786 -5.223 11.721 1.00 0.00 O ATOM 104 CB SER A 7 -0.464 -2.146 10.429 1.00 0.00 C ATOM 105 OG SER A 7 -1.709 -1.614 10.009 1.00 0.00 O ATOM 0 H SER A 7 0.920 -4.211 12.245 1.00 0.00 H new ATOM 0 HA SER A 7 -1.041 -2.150 12.500 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.273 -1.345 10.481 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.107 -2.860 9.687 1.00 0.00 H new ATOM 0 HG SER A 7 -1.700 -0.640 10.113 1.00 0.00 H new ATOM 111 N LYS A 8 -2.661 -3.989 11.599 1.00 0.00 N ATOM 112 CA LYS A 8 -3.517 -5.114 11.417 1.00 0.00 C ATOM 113 C LYS A 8 -3.590 -5.381 9.921 1.00 0.00 C ATOM 114 O LYS A 8 -3.759 -4.432 9.138 1.00 0.00 O ATOM 115 CB LYS A 8 -4.895 -4.830 12.019 1.00 0.00 C ATOM 116 CG LYS A 8 -5.857 -6.015 12.011 1.00 0.00 C ATOM 117 CD LYS A 8 -5.343 -7.242 12.808 1.00 0.00 C ATOM 118 CE LYS A 8 -5.356 -7.068 14.343 1.00 0.00 C ATOM 119 NZ LYS A 8 -4.391 -6.071 14.857 1.00 0.00 N ATOM 0 H LYS A 8 -3.148 -3.094 11.649 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.133 -5.997 11.928 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.764 -4.494 13.048 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.352 -4.006 11.471 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.813 -5.698 12.427 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.042 -6.315 10.979 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.953 -8.107 12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.324 -7.464 12.490 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.359 -6.777 14.654 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.145 -8.032 14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.971 -6.419 15.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.640 -5.920 14.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.883 -5.172 15.037 1.00 0.00 H new ATOM 133 N TYR A 9 -3.455 -6.656 9.552 1.00 0.00 N ATOM 134 CA TYR A 9 -3.305 -7.126 8.192 1.00 0.00 C ATOM 135 C TYR A 9 -1.898 -6.697 7.744 1.00 0.00 C ATOM 136 O TYR A 9 -1.010 -6.530 8.600 1.00 0.00 O ATOM 137 CB TYR A 9 -4.424 -6.595 7.255 1.00 0.00 C ATOM 138 CG TYR A 9 -4.708 -7.515 6.084 1.00 0.00 C ATOM 139 CD1 TYR A 9 -3.866 -8.577 5.815 1.00 0.00 C ATOM 140 CD2 TYR A 9 -5.846 -7.360 5.297 1.00 0.00 C ATOM 141 CE1 TYR A 9 -4.131 -9.460 4.819 1.00 0.00 C ATOM 142 CE2 TYR A 9 -6.119 -8.239 4.265 1.00 0.00 C ATOM 143 CZ TYR A 9 -5.249 -9.298 4.038 1.00 0.00 C ATOM 144 OH TYR A 9 -5.513 -10.223 3.047 1.00 0.00 O ATOM 0 H TYR A 9 -3.448 -7.417 10.232 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.409 -8.210 8.140 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.339 -6.459 7.832 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.137 -5.614 6.877 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.975 -8.708 6.412 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.524 -6.543 5.495 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.463 -10.290 4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.994 -8.105 3.646 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.211 -9.872 2.183 1.00 0.00 H new ATOM 154 N ARG A 10 -1.655 -6.551 6.474 1.00 0.00 N ATOM 155 CA ARG A 10 -0.373 -6.137 6.058 1.00 0.00 C ATOM 156 C ARG A 10 -0.437 -4.921 5.173 1.00 0.00 C ATOM 157 O ARG A 10 -1.228 -4.837 4.237 1.00 0.00 O ATOM 158 CB ARG A 10 0.488 -7.217 5.378 1.00 0.00 C ATOM 159 CG ARG A 10 1.901 -6.687 5.117 1.00 0.00 C ATOM 160 CD ARG A 10 2.815 -7.624 4.365 1.00 0.00 C ATOM 161 NE ARG A 10 2.405 -7.947 2.974 1.00 0.00 N ATOM 162 CZ ARG A 10 2.502 -7.113 1.909 1.00 0.00 C ATOM 163 NH1 ARG A 10 2.233 -5.796 2.011 1.00 0.00 N ATOM 164 NH2 ARG A 10 2.735 -7.620 0.717 1.00 0.00 N ATOM 0 H ARG A 10 -2.328 -6.714 5.725 1.00 0.00 H new ATOM 0 HA ARG A 10 0.128 -5.898 6.996 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.536 -8.104 6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.027 -7.520 4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.824 -5.755 4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.363 -6.446 6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.812 -7.185 4.337 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.892 -8.555 4.927 1.00 0.00 H new ATOM 0 HE ARG A 10 2.017 -8.875 2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.948 -5.402 2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.315 -5.194 1.192 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.840 -8.628 0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.810 -7.005 -0.093 1.00 0.00 H new ATOM 178 N THR A 11 0.373 -4.006 5.495 1.00 0.00 N ATOM 179 CA THR A 11 0.584 -2.833 4.712 1.00 0.00 C ATOM 180 C THR A 11 2.008 -2.919 4.135 1.00 0.00 C ATOM 181 O THR A 11 2.879 -3.556 4.743 1.00 0.00 O ATOM 182 CB THR A 11 0.396 -1.537 5.580 1.00 0.00 C ATOM 183 OG1 THR A 11 0.603 -0.362 4.805 1.00 0.00 O ATOM 184 CG2 THR A 11 1.325 -1.514 6.790 1.00 0.00 C ATOM 0 H THR A 11 0.939 -4.038 6.343 1.00 0.00 H new ATOM 0 HA THR A 11 -0.146 -2.774 3.905 1.00 0.00 H new ATOM 0 HB THR A 11 -0.633 -1.556 5.938 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.255 0.088 4.657 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.159 -0.599 7.359 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.120 -2.378 7.423 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.361 -1.549 6.454 1.00 0.00 H new ATOM 192 N PRO A 12 2.243 -2.402 2.922 1.00 0.00 N ATOM 193 CA PRO A 12 3.571 -2.378 2.339 1.00 0.00 C ATOM 194 C PRO A 12 4.422 -1.277 2.973 1.00 0.00 C ATOM 195 O PRO A 12 3.910 -0.411 3.679 1.00 0.00 O ATOM 196 CB PRO A 12 3.314 -2.085 0.866 1.00 0.00 C ATOM 197 CG PRO A 12 2.050 -1.308 0.855 1.00 0.00 C ATOM 198 CD PRO A 12 1.239 -1.795 2.028 1.00 0.00 C ATOM 0 HA PRO A 12 4.119 -3.308 2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.133 -1.516 0.426 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.219 -3.005 0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.250 -0.240 0.939 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.510 -1.459 -0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.711 -0.976 2.517 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.486 -2.521 1.720 1.00 0.00 H new ATOM 206 N ASN A 13 5.701 -1.312 2.735 1.00 0.00 N ATOM 207 CA ASN A 13 6.600 -0.338 3.326 1.00 0.00 C ATOM 208 C ASN A 13 6.918 0.750 2.305 1.00 0.00 C ATOM 209 O ASN A 13 7.664 0.523 1.363 1.00 0.00 O ATOM 210 CB ASN A 13 7.897 -0.998 3.849 1.00 0.00 C ATOM 211 CG ASN A 13 7.741 -2.032 5.025 1.00 0.00 C ATOM 212 OD1 ASN A 13 8.634 -2.124 5.864 1.00 0.00 O ATOM 213 ND2 ASN A 13 6.660 -2.849 5.085 1.00 0.00 N ATOM 0 H ASN A 13 6.155 -2.002 2.136 1.00 0.00 H new ATOM 0 HA ASN A 13 6.102 0.110 4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.382 -1.504 3.014 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.572 -0.208 4.178 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.586 -3.543 5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.921 -2.769 4.386 1.00 0.00 H new ATOM 220 N CYS A 14 6.348 1.917 2.499 1.00 0.00 N ATOM 221 CA CYS A 14 6.469 3.021 1.554 1.00 0.00 C ATOM 222 C CYS A 14 7.653 3.945 1.901 1.00 0.00 C ATOM 223 O CYS A 14 8.262 3.818 2.979 1.00 0.00 O ATOM 224 CB CYS A 14 5.145 3.832 1.522 1.00 0.00 C ATOM 225 SG CYS A 14 5.139 5.256 0.380 1.00 0.00 S ATOM 0 H CYS A 14 5.783 2.136 3.319 1.00 0.00 H new ATOM 0 HA CYS A 14 6.663 2.599 0.568 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.332 3.161 1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.933 4.192 2.529 1.00 0.00 H new ATOM 230 N SER A 15 7.997 4.837 0.935 1.00 0.00 N ATOM 231 CA SER A 15 8.992 5.899 1.071 1.00 0.00 C ATOM 232 C SER A 15 10.416 5.369 0.984 1.00 0.00 C ATOM 233 O SER A 15 11.379 6.068 1.282 1.00 0.00 O ATOM 234 CB SER A 15 8.729 6.729 2.336 1.00 0.00 C ATOM 235 OG SER A 15 7.373 7.199 2.326 1.00 0.00 O ATOM 0 H SER A 15 7.565 4.824 0.011 1.00 0.00 H new ATOM 0 HA SER A 15 8.886 6.573 0.221 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.909 6.124 3.225 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.417 7.573 2.380 1.00 0.00 H new ATOM 0 HG SER A 15 7.204 7.727 3.134 1.00 0.00 H new ATOM 241 N GLN A 16 10.542 4.155 0.491 1.00 0.00 N ATOM 242 CA GLN A 16 11.843 3.521 0.354 1.00 0.00 C ATOM 243 C GLN A 16 12.029 2.950 -1.016 1.00 0.00 C ATOM 244 O GLN A 16 12.880 2.099 -1.264 1.00 0.00 O ATOM 245 CB GLN A 16 12.079 2.495 1.441 1.00 0.00 C ATOM 246 CG GLN A 16 10.905 1.456 1.562 1.00 0.00 C ATOM 247 CD GLN A 16 11.156 0.383 2.630 1.00 0.00 C ATOM 248 OE1 GLN A 16 11.731 -0.665 2.327 1.00 0.00 O ATOM 249 NE2 GLN A 16 10.709 0.592 3.872 1.00 0.00 N ATOM 0 H GLN A 16 9.758 3.583 0.176 1.00 0.00 H new ATOM 0 HA GLN A 16 12.603 4.292 0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.009 1.964 1.238 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.206 3.006 2.395 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.982 1.986 1.798 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.756 0.971 0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.236 1.465 4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.841 -0.122 4.588 1.00 0.00 H new ATOM 258 N TYR A 17 11.292 3.486 -1.897 1.00 0.00 N ATOM 259 CA TYR A 17 11.347 3.088 -3.285 1.00 0.00 C ATOM 260 C TYR A 17 11.936 4.188 -4.110 1.00 0.00 C ATOM 261 O TYR A 17 12.878 3.966 -4.883 1.00 0.00 O ATOM 262 CB TYR A 17 9.974 2.699 -3.805 1.00 0.00 C ATOM 263 CG TYR A 17 9.465 1.498 -3.107 1.00 0.00 C ATOM 264 CD1 TYR A 17 10.189 0.333 -3.155 1.00 0.00 C ATOM 265 CD2 TYR A 17 8.292 1.522 -2.383 1.00 0.00 C ATOM 266 CE1 TYR A 17 9.780 -0.780 -2.509 1.00 0.00 C ATOM 267 CE2 TYR A 17 7.858 0.397 -1.724 1.00 0.00 C ATOM 268 CZ TYR A 17 8.610 -0.758 -1.789 1.00 0.00 C ATOM 269 OH TYR A 17 8.189 -1.890 -1.131 1.00 0.00 O ATOM 0 H TYR A 17 10.617 4.225 -1.699 1.00 0.00 H new ATOM 0 HA TYR A 17 11.986 2.208 -3.363 1.00 0.00 H new ATOM 0 HB2 TYR A 17 9.280 3.527 -3.665 1.00 0.00 H new ATOM 0 HB3 TYR A 17 10.028 2.506 -4.876 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.107 0.306 -3.723 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.711 2.431 -2.333 1.00 0.00 H new ATOM 0 HE1 TYR A 17 10.370 -1.683 -2.558 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.937 0.417 -1.160 1.00 0.00 H new ATOM 0 HH TYR A 17 7.345 -1.705 -0.669 1.00 0.00 H new ATOM 279 N ARG A 18 11.356 5.373 -3.954 1.00 0.00 N ATOM 280 CA ARG A 18 11.808 6.612 -4.595 1.00 0.00 C ATOM 281 C ARG A 18 11.312 6.727 -6.015 1.00 0.00 C ATOM 282 O ARG A 18 11.114 5.721 -6.704 1.00 0.00 O ATOM 283 CB ARG A 18 13.330 6.897 -4.473 1.00 0.00 C ATOM 284 CG ARG A 18 13.753 7.716 -3.238 1.00 0.00 C ATOM 285 CD ARG A 18 13.548 7.010 -1.898 1.00 0.00 C ATOM 286 NE ARG A 18 14.382 5.809 -1.730 1.00 0.00 N ATOM 287 CZ ARG A 18 14.714 5.278 -0.539 1.00 0.00 C ATOM 288 NH1 ARG A 18 14.256 5.817 0.587 1.00 0.00 N ATOM 289 NH2 ARG A 18 15.483 4.196 -0.488 1.00 0.00 N ATOM 0 H ARG A 18 10.536 5.507 -3.363 1.00 0.00 H new ATOM 0 HA ARG A 18 11.341 7.409 -4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.860 5.945 -4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.656 7.427 -5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.806 7.978 -3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.192 8.650 -3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.767 7.710 -1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.499 6.730 -1.801 1.00 0.00 H new ATOM 0 HE ARG A 18 14.731 5.349 -2.571 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.650 6.637 0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.511 5.411 1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.821 3.769 -1.351 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.736 3.792 0.414 1.00 0.00 H new ATOM 303 N LEU A 19 11.096 7.948 -6.440 1.00 0.00 N ATOM 304 CA LEU A 19 10.497 8.250 -7.722 1.00 0.00 C ATOM 305 C LEU A 19 10.731 9.736 -7.999 1.00 0.00 C ATOM 306 O LEU A 19 10.947 10.494 -7.051 1.00 0.00 O ATOM 307 CB LEU A 19 8.950 7.893 -7.708 1.00 0.00 C ATOM 308 CG LEU A 19 8.029 8.755 -6.835 1.00 0.00 C ATOM 309 CD1 LEU A 19 6.600 8.265 -6.942 1.00 0.00 C ATOM 310 CD2 LEU A 19 8.428 8.814 -5.359 1.00 0.00 C ATOM 0 H LEU A 19 11.335 8.777 -5.896 1.00 0.00 H new ATOM 0 HA LEU A 19 10.949 7.653 -8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.584 7.944 -8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.847 6.857 -7.384 1.00 0.00 H new ATOM 0 HG LEU A 19 8.128 9.768 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.955 8.884 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.270 8.328 -7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.544 7.230 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.723 9.444 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.414 7.809 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.431 9.231 -5.270 1.00 0.00 H new ATOM 322 N PRO A 20 10.728 10.172 -9.288 1.00 0.00 N ATOM 323 CA PRO A 20 10.968 11.591 -9.664 1.00 0.00 C ATOM 324 C PRO A 20 9.900 12.543 -9.105 1.00 0.00 C ATOM 325 O PRO A 20 10.130 13.745 -8.948 1.00 0.00 O ATOM 326 CB PRO A 20 10.918 11.571 -11.203 1.00 0.00 C ATOM 327 CG PRO A 20 10.184 10.317 -11.551 1.00 0.00 C ATOM 328 CD PRO A 20 10.537 9.323 -10.482 1.00 0.00 C ATOM 0 HA PRO A 20 11.910 11.959 -9.258 1.00 0.00 H new ATOM 0 HB2 PRO A 20 10.404 12.450 -11.592 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.921 11.573 -11.630 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.108 10.490 -11.583 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.478 9.953 -12.535 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.743 8.591 -10.334 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.441 8.767 -10.731 1.00 0.00 H new ATOM 336 N GLY A 21 8.762 11.995 -8.801 1.00 0.00 N ATOM 337 CA GLY A 21 7.671 12.752 -8.257 1.00 0.00 C ATOM 338 C GLY A 21 6.499 11.851 -8.086 1.00 0.00 C ATOM 339 O GLY A 21 5.999 11.664 -6.987 1.00 0.00 O ATOM 0 H GLY A 21 8.561 11.003 -8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.955 13.188 -7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.418 13.579 -8.921 1.00 0.00 H new ATOM 343 N CYS A 22 6.126 11.233 -9.174 1.00 0.00 N ATOM 344 CA CYS A 22 5.056 10.281 -9.231 1.00 0.00 C ATOM 345 C CYS A 22 5.419 9.172 -10.218 1.00 0.00 C ATOM 346 O CYS A 22 6.302 9.373 -11.064 1.00 0.00 O ATOM 347 CB CYS A 22 3.698 10.953 -9.537 1.00 0.00 C ATOM 348 SG CYS A 22 2.884 11.656 -8.045 1.00 0.00 S ATOM 0 H CYS A 22 6.577 11.386 -10.076 1.00 0.00 H new ATOM 0 HA CYS A 22 4.927 9.825 -8.249 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.850 11.747 -10.268 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.033 10.221 -9.995 1.00 0.00 H new ATOM 353 N PRO A 23 4.803 7.983 -10.087 1.00 0.00 N ATOM 354 CA PRO A 23 5.116 6.806 -10.909 1.00 0.00 C ATOM 355 C PRO A 23 4.585 6.919 -12.321 1.00 0.00 C ATOM 356 O PRO A 23 3.718 7.753 -12.607 1.00 0.00 O ATOM 357 CB PRO A 23 4.374 5.698 -10.191 1.00 0.00 C ATOM 358 CG PRO A 23 3.181 6.391 -9.687 1.00 0.00 C ATOM 359 CD PRO A 23 3.714 7.661 -9.133 1.00 0.00 C ATOM 0 HA PRO A 23 6.191 6.659 -11.011 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.115 4.881 -10.864 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.967 5.270 -9.383 1.00 0.00 H new ATOM 0 HG2 PRO A 23 2.459 6.574 -10.483 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.671 5.804 -8.923 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.955 8.443 -9.102 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.086 7.538 -8.116 1.00 0.00 H new ATOM 367 N ARG A 24 5.136 6.120 -13.201 1.00 0.00 N ATOM 368 CA ARG A 24 4.669 6.064 -14.569 1.00 0.00 C ATOM 369 C ARG A 24 3.279 5.430 -14.609 1.00 0.00 C ATOM 370 O ARG A 24 2.270 6.129 -14.730 1.00 0.00 O ATOM 371 CB ARG A 24 5.629 5.280 -15.485 1.00 0.00 C ATOM 372 CG ARG A 24 6.948 5.974 -15.837 1.00 0.00 C ATOM 373 CD ARG A 24 7.868 6.146 -14.647 1.00 0.00 C ATOM 374 NE ARG A 24 9.145 6.774 -15.003 1.00 0.00 N ATOM 375 CZ ARG A 24 10.243 6.753 -14.231 1.00 0.00 C ATOM 376 NH1 ARG A 24 10.222 6.150 -13.044 1.00 0.00 N ATOM 377 NH2 ARG A 24 11.352 7.332 -14.643 1.00 0.00 N ATOM 0 H ARG A 24 5.914 5.494 -12.994 1.00 0.00 H new ATOM 0 HA ARG A 24 4.627 7.086 -14.945 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.860 4.329 -15.005 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.105 5.050 -16.413 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.462 5.395 -16.605 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.733 6.953 -16.266 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.368 6.752 -13.892 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.060 5.172 -14.198 1.00 0.00 H new ATOM 0 HE ARG A 24 9.203 7.260 -15.898 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.368 5.700 -12.716 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.060 6.138 -12.463 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.378 7.798 -15.550 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.185 7.315 -14.055 1.00 0.00 H new ATOM 391 N HIS A 25 3.234 4.114 -14.462 1.00 0.00 N ATOM 392 CA HIS A 25 1.977 3.366 -14.461 1.00 0.00 C ATOM 393 C HIS A 25 2.199 1.947 -13.955 1.00 0.00 C ATOM 394 O HIS A 25 3.046 1.221 -14.495 1.00 0.00 O ATOM 395 CB HIS A 25 1.295 3.344 -15.870 1.00 0.00 C ATOM 396 CG HIS A 25 2.097 2.701 -16.982 1.00 0.00 C ATOM 397 ND1 HIS A 25 1.917 1.401 -17.392 1.00 0.00 N ATOM 398 CD2 HIS A 25 3.076 3.199 -17.768 1.00 0.00 C ATOM 399 CE1 HIS A 25 2.745 1.127 -18.370 1.00 0.00 C ATOM 400 NE2 HIS A 25 3.460 2.203 -18.618 1.00 0.00 N ATOM 0 H HIS A 25 4.063 3.532 -14.340 1.00 0.00 H new ATOM 0 HA HIS A 25 1.298 3.884 -13.783 1.00 0.00 H new ATOM 0 HB2 HIS A 25 0.344 2.819 -15.784 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.068 4.370 -16.159 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.480 4.200 -17.731 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.826 0.181 -18.884 1.00 0.00 H new ATOM 0 HE2 HIS A 25 4.185 2.280 -19.331 1.00 0.00 H new ATOM 409 N PHE A 26 1.501 1.599 -12.880 1.00 0.00 N ATOM 410 CA PHE A 26 1.496 0.257 -12.301 1.00 0.00 C ATOM 411 C PHE A 26 0.487 0.166 -11.173 1.00 0.00 C ATOM 412 O PHE A 26 0.057 1.202 -10.629 1.00 0.00 O ATOM 413 CB PHE A 26 2.907 -0.267 -11.881 1.00 0.00 C ATOM 414 CG PHE A 26 3.743 0.588 -10.942 1.00 0.00 C ATOM 415 CD1 PHE A 26 4.429 1.686 -11.413 1.00 0.00 C ATOM 416 CD2 PHE A 26 3.882 0.252 -9.612 1.00 0.00 C ATOM 417 CE1 PHE A 26 5.228 2.436 -10.579 1.00 0.00 C ATOM 418 CE2 PHE A 26 4.688 0.990 -8.768 1.00 0.00 C ATOM 419 CZ PHE A 26 5.362 2.088 -9.253 1.00 0.00 C ATOM 0 H PHE A 26 0.908 2.257 -12.373 1.00 0.00 H new ATOM 0 HA PHE A 26 1.185 -0.419 -13.098 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.774 -1.242 -11.413 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.487 -0.427 -12.790 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.339 1.963 -12.453 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.351 -0.604 -9.223 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.751 3.299 -10.965 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.789 0.707 -7.731 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.991 2.672 -8.598 1.00 0.00 H new ATOM 429 N ASN A 27 0.100 -1.049 -10.815 1.00 0.00 N ATOM 430 CA ASN A 27 -0.913 -1.264 -9.808 1.00 0.00 C ATOM 431 C ASN A 27 -0.724 -2.692 -9.215 1.00 0.00 C ATOM 432 O ASN A 27 -1.333 -3.670 -9.673 1.00 0.00 O ATOM 433 CB ASN A 27 -2.399 -1.039 -10.423 1.00 0.00 C ATOM 434 CG ASN A 27 -3.469 -0.979 -9.374 1.00 0.00 C ATOM 435 OD1 ASN A 27 -3.371 -1.602 -8.345 1.00 0.00 O ATOM 436 ND2 ASN A 27 -4.505 -0.219 -9.642 1.00 0.00 N ATOM 0 H ASN A 27 0.481 -1.906 -11.216 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.806 -0.536 -9.004 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.411 -0.113 -10.998 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.624 -1.849 -11.117 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.266 -0.139 -8.968 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.549 0.291 -10.524 1.00 0.00 H new ATOM 443 N PRO A 28 0.239 -2.808 -8.284 1.00 0.00 N ATOM 444 CA PRO A 28 0.503 -4.032 -7.522 1.00 0.00 C ATOM 445 C PRO A 28 -0.544 -4.482 -6.518 1.00 0.00 C ATOM 446 O PRO A 28 -1.096 -5.550 -6.660 1.00 0.00 O ATOM 447 CB PRO A 28 1.813 -3.776 -6.788 1.00 0.00 C ATOM 448 CG PRO A 28 2.413 -2.605 -7.462 1.00 0.00 C ATOM 449 CD PRO A 28 1.266 -1.808 -8.050 1.00 0.00 C ATOM 0 HA PRO A 28 0.514 -4.850 -8.243 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.639 -3.575 -5.731 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.472 -4.643 -6.844 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.982 -2.001 -6.755 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.106 -2.920 -8.242 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.923 -1.034 -7.364 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.557 -1.309 -8.974 1.00 0.00 H new ATOM 457 N VAL A 29 -0.891 -3.656 -5.586 1.00 0.00 N ATOM 458 CA VAL A 29 -1.567 -4.150 -4.402 1.00 0.00 C ATOM 459 C VAL A 29 -3.040 -3.891 -4.392 1.00 0.00 C ATOM 460 O VAL A 29 -3.562 -3.093 -5.143 1.00 0.00 O ATOM 461 CB VAL A 29 -0.920 -3.646 -3.090 1.00 0.00 C ATOM 462 CG1 VAL A 29 0.531 -4.119 -2.992 1.00 0.00 C ATOM 463 CG2 VAL A 29 -1.018 -2.115 -2.954 1.00 0.00 C ATOM 0 H VAL A 29 -0.727 -2.649 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.438 -5.231 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.478 -4.075 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.970 -3.755 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.560 -5.209 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.098 -3.731 -3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.552 -1.802 -2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.505 -1.642 -3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.066 -1.816 -2.955 1.00 0.00 H new ATOM 473 N CYS A 30 -3.690 -4.539 -3.506 1.00 0.00 N ATOM 474 CA CYS A 30 -5.086 -4.596 -3.507 1.00 0.00 C ATOM 475 C CYS A 30 -5.634 -3.879 -2.285 1.00 0.00 C ATOM 476 O CYS A 30 -5.114 -3.998 -1.211 1.00 0.00 O ATOM 477 CB CYS A 30 -5.486 -6.079 -3.547 1.00 0.00 C ATOM 478 SG CYS A 30 -4.647 -7.057 -4.872 1.00 0.00 S ATOM 0 H CYS A 30 -3.250 -5.055 -2.744 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.508 -4.091 -4.376 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.261 -6.530 -2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.565 -6.149 -3.688 1.00 0.00 H new ATOM 483 N GLY A 31 -6.619 -3.108 -2.508 1.00 0.00 N ATOM 484 CA GLY A 31 -7.292 -2.314 -1.506 1.00 0.00 C ATOM 485 C GLY A 31 -8.115 -3.021 -0.436 1.00 0.00 C ATOM 486 O GLY A 31 -9.185 -3.540 -0.739 1.00 0.00 O ATOM 0 H GLY A 31 -7.018 -2.991 -3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.536 -1.715 -0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.953 -1.620 -2.025 1.00 0.00 H new ATOM 490 N SER A 32 -7.641 -3.020 0.844 1.00 0.00 N ATOM 491 CA SER A 32 -8.509 -3.469 1.925 1.00 0.00 C ATOM 492 C SER A 32 -9.396 -2.320 2.311 1.00 0.00 C ATOM 493 O SER A 32 -10.550 -2.498 2.674 1.00 0.00 O ATOM 494 CB SER A 32 -7.744 -3.936 3.167 1.00 0.00 C ATOM 495 OG SER A 32 -7.135 -5.166 2.980 1.00 0.00 O ATOM 0 H SER A 32 -6.706 -2.725 1.124 1.00 0.00 H new ATOM 0 HA SER A 32 -9.073 -4.328 1.561 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.988 -3.195 3.425 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.431 -3.998 4.011 1.00 0.00 H new ATOM 0 HG SER A 32 -6.907 -5.554 3.851 1.00 0.00 H new ATOM 501 N ASP A 33 -8.846 -1.120 2.210 1.00 0.00 N ATOM 502 CA ASP A 33 -9.586 0.071 2.534 1.00 0.00 C ATOM 503 C ASP A 33 -10.457 0.525 1.425 1.00 0.00 C ATOM 504 O ASP A 33 -11.476 1.174 1.698 1.00 0.00 O ATOM 505 CB ASP A 33 -8.694 1.216 3.042 1.00 0.00 C ATOM 506 CG ASP A 33 -8.229 1.003 4.464 1.00 0.00 C ATOM 507 OD1 ASP A 33 -8.993 1.319 5.411 1.00 0.00 O ATOM 508 OD2 ASP A 33 -7.131 0.494 4.675 1.00 0.00 O ATOM 0 H ASP A 33 -7.887 -0.954 1.905 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.236 -0.216 3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.826 1.312 2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.244 2.155 2.980 1.00 0.00 H new ATOM 513 N MET A 34 -10.135 0.149 0.168 1.00 0.00 N ATOM 514 CA MET A 34 -10.938 0.670 -0.949 1.00 0.00 C ATOM 515 C MET A 34 -10.572 0.137 -2.359 1.00 0.00 C ATOM 516 O MET A 34 -11.390 -0.520 -2.990 1.00 0.00 O ATOM 517 CB MET A 34 -10.883 2.200 -0.957 1.00 0.00 C ATOM 518 CG MET A 34 -11.825 2.862 -1.958 1.00 0.00 C ATOM 519 SD MET A 34 -13.565 2.585 -1.575 1.00 0.00 S ATOM 520 CE MET A 34 -14.347 3.452 -2.940 1.00 0.00 C ATOM 0 H MET A 34 -9.370 -0.476 -0.087 1.00 0.00 H new ATOM 0 HA MET A 34 -11.945 0.299 -0.758 1.00 0.00 H new ATOM 0 HB2 MET A 34 -11.121 2.565 0.042 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.862 2.513 -1.176 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.629 3.934 -1.979 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.613 2.480 -2.956 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.430 3.374 -2.848 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.056 4.502 -2.919 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.030 3.007 -3.883 1.00 0.00 H new ATOM 530 N SER A 35 -9.349 0.367 -2.831 1.00 0.00 N ATOM 531 CA SER A 35 -9.069 0.180 -4.252 1.00 0.00 C ATOM 532 C SER A 35 -7.772 -0.534 -4.457 1.00 0.00 C ATOM 533 O SER A 35 -6.966 -0.534 -3.628 1.00 0.00 O ATOM 534 CB SER A 35 -8.927 1.561 -4.910 1.00 0.00 C ATOM 535 OG SER A 35 -10.010 2.420 -4.559 1.00 0.00 O ATOM 0 H SER A 35 -8.556 0.675 -2.268 1.00 0.00 H new ATOM 0 HA SER A 35 -9.883 -0.402 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.985 2.017 -4.603 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.888 1.447 -5.993 1.00 0.00 H new ATOM 0 HG SER A 35 -9.890 3.291 -4.992 1.00 0.00 H new ATOM 541 N THR A 36 -7.624 -1.115 -5.562 1.00 0.00 N ATOM 542 CA THR A 36 -6.378 -1.705 -6.004 1.00 0.00 C ATOM 543 C THR A 36 -5.426 -0.538 -6.379 1.00 0.00 C ATOM 544 O THR A 36 -5.761 0.320 -7.210 1.00 0.00 O ATOM 545 CB THR A 36 -6.682 -2.533 -7.258 1.00 0.00 C ATOM 546 OG1 THR A 36 -7.994 -3.116 -7.096 1.00 0.00 O ATOM 547 CG2 THR A 36 -5.671 -3.651 -7.438 1.00 0.00 C ATOM 0 H THR A 36 -8.381 -1.215 -6.239 1.00 0.00 H new ATOM 0 HA THR A 36 -5.925 -2.334 -5.238 1.00 0.00 H new ATOM 0 HB THR A 36 -6.635 -1.886 -8.134 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.646 -2.605 -7.619 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.914 -4.220 -8.336 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.672 -3.226 -7.537 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.700 -4.311 -6.571 1.00 0.00 H new ATOM 555 N TYR A 37 -4.300 -0.490 -5.702 1.00 0.00 N ATOM 556 CA TYR A 37 -3.329 0.601 -5.751 1.00 0.00 C ATOM 557 C TYR A 37 -1.936 0.122 -5.434 1.00 0.00 C ATOM 558 O TYR A 37 -1.692 -1.039 -5.536 1.00 0.00 O ATOM 559 CB TYR A 37 -3.696 1.753 -4.835 1.00 0.00 C ATOM 560 CG TYR A 37 -4.368 1.478 -3.563 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.274 0.276 -2.884 1.00 0.00 C ATOM 562 CD2 TYR A 37 -5.125 2.473 -3.043 1.00 0.00 C ATOM 563 CE1 TYR A 37 -4.945 0.103 -1.708 1.00 0.00 C ATOM 564 CE2 TYR A 37 -5.799 2.328 -1.906 1.00 0.00 C ATOM 565 CZ TYR A 37 -5.725 1.146 -1.213 1.00 0.00 C ATOM 566 OH TYR A 37 -6.473 0.982 -0.067 1.00 0.00 O ATOM 0 H TYR A 37 -4.016 -1.240 -5.072 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.351 0.970 -6.776 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.778 2.295 -4.609 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.335 2.430 -5.402 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.670 -0.525 -3.284 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.183 3.415 -3.569 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.872 -0.830 -1.168 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -6.404 3.139 -1.529 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.954 1.813 0.132 1.00 0.00 H new ATOM 576 N ALA A 38 -0.977 1.075 -5.225 1.00 0.00 N ATOM 577 CA ALA A 38 0.320 0.771 -4.515 1.00 0.00 C ATOM 578 C ALA A 38 1.246 1.953 -4.423 1.00 0.00 C ATOM 579 O ALA A 38 1.907 2.135 -3.410 1.00 0.00 O ATOM 580 CB ALA A 38 1.125 -0.428 -5.097 1.00 0.00 C ATOM 0 H ALA A 38 -1.068 2.044 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.028 0.495 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.039 -0.567 -4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.520 -1.333 -5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.380 -0.225 -6.137 1.00 0.00 H new ATOM 586 N ASN A 39 1.258 2.745 -5.449 1.00 0.00 N ATOM 587 CA ASN A 39 2.302 3.756 -5.657 1.00 0.00 C ATOM 588 C ASN A 39 2.523 4.726 -4.530 1.00 0.00 C ATOM 589 O ASN A 39 1.645 4.967 -3.696 1.00 0.00 O ATOM 590 CB ASN A 39 2.105 4.543 -6.939 1.00 0.00 C ATOM 591 CG ASN A 39 1.668 3.702 -8.101 1.00 0.00 C ATOM 592 OD1 ASN A 39 2.460 3.146 -8.806 1.00 0.00 O ATOM 593 ND2 ASN A 39 0.397 3.671 -8.328 1.00 0.00 N ATOM 0 H ASN A 39 0.549 2.725 -6.182 1.00 0.00 H new ATOM 0 HA ASN A 39 3.200 3.141 -5.717 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.363 5.322 -6.766 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.039 5.044 -7.195 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.035 3.159 -9.133 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.245 4.158 -7.703 1.00 0.00 H new ATOM 600 N GLU A 40 3.666 5.391 -4.592 1.00 0.00 N ATOM 601 CA GLU A 40 4.040 6.421 -3.640 1.00 0.00 C ATOM 602 C GLU A 40 3.319 7.752 -3.988 1.00 0.00 C ATOM 603 O GLU A 40 3.699 8.838 -3.554 1.00 0.00 O ATOM 604 CB GLU A 40 5.572 6.574 -3.577 1.00 0.00 C ATOM 605 CG GLU A 40 6.288 5.270 -3.184 1.00 0.00 C ATOM 606 CD GLU A 40 7.790 5.420 -3.026 1.00 0.00 C ATOM 607 OE1 GLU A 40 8.487 5.624 -4.029 1.00 0.00 O ATOM 608 OE2 GLU A 40 8.305 5.353 -1.880 1.00 0.00 O ATOM 0 H GLU A 40 4.367 5.227 -5.314 1.00 0.00 H new ATOM 0 HA GLU A 40 3.716 6.127 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.939 6.906 -4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.825 7.353 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.868 4.904 -2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.085 4.513 -3.941 1.00 0.00 H new ATOM 615 N CYS A 41 2.236 7.598 -4.735 1.00 0.00 N ATOM 616 CA CYS A 41 1.313 8.652 -5.149 1.00 0.00 C ATOM 617 C CYS A 41 -0.066 8.041 -5.202 1.00 0.00 C ATOM 618 O CYS A 41 -1.036 8.680 -5.579 1.00 0.00 O ATOM 619 CB CYS A 41 1.662 9.277 -6.522 1.00 0.00 C ATOM 620 SG CYS A 41 3.210 10.247 -6.582 1.00 0.00 S ATOM 0 H CYS A 41 1.959 6.683 -5.090 1.00 0.00 H new ATOM 0 HA CYS A 41 1.377 9.467 -4.429 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.728 8.476 -7.259 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.838 9.923 -6.826 1.00 0.00 H new ATOM 625 N THR A 42 -0.150 6.793 -4.779 1.00 0.00 N ATOM 626 CA THR A 42 -1.384 6.130 -4.746 1.00 0.00 C ATOM 627 C THR A 42 -1.641 5.665 -3.321 1.00 0.00 C ATOM 628 O THR A 42 -2.466 6.279 -2.645 1.00 0.00 O ATOM 629 CB THR A 42 -1.461 5.014 -5.757 1.00 0.00 C ATOM 630 OG1 THR A 42 -0.880 5.509 -6.958 1.00 0.00 O ATOM 631 CG2 THR A 42 -2.909 4.706 -6.053 1.00 0.00 C ATOM 0 H THR A 42 0.643 6.239 -4.457 1.00 0.00 H new ATOM 0 HA THR A 42 -2.178 6.818 -5.038 1.00 0.00 H new ATOM 0 HB THR A 42 -0.957 4.122 -5.384 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.544 5.481 -7.678 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.967 3.899 -6.784 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.411 4.401 -5.135 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.395 5.595 -6.454 1.00 0.00 H new ATOM 639 N LEU A 43 -0.859 4.663 -2.761 1.00 0.00 N ATOM 640 CA LEU A 43 -1.151 4.406 -1.309 1.00 0.00 C ATOM 641 C LEU A 43 -0.597 5.426 -0.546 1.00 0.00 C ATOM 642 O LEU A 43 -1.164 5.848 0.305 1.00 0.00 O ATOM 643 CB LEU A 43 -0.612 3.177 -0.604 1.00 0.00 C ATOM 644 CG LEU A 43 -1.280 1.932 -0.910 1.00 0.00 C ATOM 645 CD1 LEU A 43 -0.636 0.752 -0.187 1.00 0.00 C ATOM 646 CD2 LEU A 43 -2.658 2.061 -0.461 1.00 0.00 C ATOM 0 H LEU A 43 -0.135 4.104 -3.213 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.234 4.298 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.444 3.072 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.670 3.344 0.472 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.212 1.741 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.167 -0.165 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.407 0.665 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.688 0.913 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.198 1.139 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.675 2.251 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.135 2.890 -0.984 1.00 0.00 H new ATOM 658 N CYS A 44 0.556 5.792 -0.865 1.00 0.00 N ATOM 659 CA CYS A 44 1.277 6.713 -0.038 1.00 0.00 C ATOM 660 C CYS A 44 0.604 8.078 0.123 1.00 0.00 C ATOM 661 O CYS A 44 0.779 8.730 1.134 1.00 0.00 O ATOM 662 CB CYS A 44 2.692 6.751 -0.454 1.00 0.00 C ATOM 663 SG CYS A 44 3.394 5.087 -0.598 1.00 0.00 S ATOM 0 H CYS A 44 1.053 5.480 -1.699 1.00 0.00 H new ATOM 0 HA CYS A 44 1.255 6.340 0.986 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.776 7.265 -1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.268 7.328 0.269 1.00 0.00 H new ATOM 668 N MET A 45 -0.240 8.450 -0.814 1.00 0.00 N ATOM 669 CA MET A 45 -1.035 9.659 -0.633 1.00 0.00 C ATOM 670 C MET A 45 -2.140 9.326 0.327 1.00 0.00 C ATOM 671 O MET A 45 -2.454 10.084 1.230 1.00 0.00 O ATOM 672 CB MET A 45 -1.577 10.161 -1.951 1.00 0.00 C ATOM 673 CG MET A 45 -0.491 10.555 -2.867 1.00 0.00 C ATOM 674 SD MET A 45 0.548 11.901 -2.250 1.00 0.00 S ATOM 675 CE MET A 45 -0.643 13.244 -2.124 1.00 0.00 C ATOM 0 H MET A 45 -0.397 7.952 -1.690 1.00 0.00 H new ATOM 0 HA MET A 45 -0.419 10.464 -0.233 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.183 9.383 -2.416 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.233 11.013 -1.775 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.138 9.686 -3.062 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.926 10.855 -3.821 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.114 14.191 -2.017 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.257 13.271 -3.024 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.280 13.085 -1.254 1.00 0.00 H new ATOM 685 N LYS A 46 -2.697 8.157 0.134 1.00 0.00 N ATOM 686 CA LYS A 46 -3.670 7.583 1.063 1.00 0.00 C ATOM 687 C LYS A 46 -3.081 7.341 2.445 1.00 0.00 C ATOM 688 O LYS A 46 -3.703 7.628 3.460 1.00 0.00 O ATOM 689 CB LYS A 46 -4.138 6.213 0.599 1.00 0.00 C ATOM 690 CG LYS A 46 -5.411 6.162 -0.176 1.00 0.00 C ATOM 691 CD LYS A 46 -5.296 6.833 -1.529 1.00 0.00 C ATOM 692 CE LYS A 46 -6.609 6.797 -2.283 1.00 0.00 C ATOM 693 NZ LYS A 46 -7.672 7.590 -1.620 1.00 0.00 N ATOM 0 H LYS A 46 -2.495 7.565 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.481 8.310 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.350 5.775 -0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.250 5.577 1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.707 5.122 -0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.202 6.644 0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.980 7.868 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.524 6.337 -2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.454 7.177 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.940 5.763 -2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.478 7.701 -2.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.985 7.099 -0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.299 8.528 -1.368 1.00 0.00 H new ATOM 707 N ILE A 47 -1.913 6.768 2.487 1.00 0.00 N ATOM 708 CA ILE A 47 -1.424 6.298 3.683 1.00 0.00 C ATOM 709 C ILE A 47 -0.985 7.466 4.593 1.00 0.00 C ATOM 710 O ILE A 47 -1.192 7.458 5.808 1.00 0.00 O ATOM 711 CB ILE A 47 -0.323 5.206 3.504 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.431 4.227 4.655 1.00 0.00 C ATOM 713 CG2 ILE A 47 1.094 5.799 3.454 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.548 3.067 4.599 1.00 0.00 C ATOM 0 H ILE A 47 -1.302 6.630 1.682 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.240 5.785 4.192 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.488 4.708 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.279 4.768 5.589 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.445 3.828 4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.820 4.996 3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.169 6.491 2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.299 6.331 4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.396 2.420 5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.384 2.496 3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.568 3.451 4.609 1.00 0.00 H new ATOM 726 N ARG A 48 -0.435 8.500 3.952 1.00 0.00 N ATOM 727 CA ARG A 48 0.104 9.641 4.656 1.00 0.00 C ATOM 728 C ARG A 48 -0.962 10.678 4.919 1.00 0.00 C ATOM 729 O ARG A 48 -1.015 11.256 6.000 1.00 0.00 O ATOM 730 CB ARG A 48 1.198 10.290 3.807 1.00 0.00 C ATOM 731 CG ARG A 48 1.834 11.510 4.437 1.00 0.00 C ATOM 732 CD ARG A 48 2.709 12.250 3.450 1.00 0.00 C ATOM 733 NE ARG A 48 3.412 13.361 4.086 1.00 0.00 N ATOM 734 CZ ARG A 48 3.182 14.664 3.869 1.00 0.00 C ATOM 735 NH1 ARG A 48 2.175 15.072 3.087 1.00 0.00 N ATOM 736 NH2 ARG A 48 3.962 15.563 4.453 1.00 0.00 N ATOM 0 H ARG A 48 -0.356 8.560 2.937 1.00 0.00 H new ATOM 0 HA ARG A 48 0.502 9.289 5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.975 9.551 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.774 10.572 2.843 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.056 12.178 4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.430 11.207 5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.433 11.561 3.016 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.097 12.627 2.631 1.00 0.00 H new ATOM 0 HE ARG A 48 4.144 13.124 4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.564 14.386 2.642 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.018 16.068 2.936 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.725 15.260 5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.799 16.558 4.297 1.00 0.00 H new ATOM 750 N GLU A 49 -1.828 10.895 3.963 1.00 0.00 N ATOM 751 CA GLU A 49 -2.804 11.941 4.118 1.00 0.00 C ATOM 752 C GLU A 49 -4.192 11.546 3.657 1.00 0.00 C ATOM 753 O GLU A 49 -5.079 12.388 3.494 1.00 0.00 O ATOM 754 CB GLU A 49 -2.302 13.252 3.511 1.00 0.00 C ATOM 755 CG GLU A 49 -1.818 13.156 2.077 1.00 0.00 C ATOM 756 CD GLU A 49 -1.212 14.448 1.598 1.00 0.00 C ATOM 757 OE1 GLU A 49 -1.972 15.404 1.324 1.00 0.00 O ATOM 758 OE2 GLU A 49 0.029 14.539 1.506 1.00 0.00 O ATOM 0 H GLU A 49 -1.878 10.374 3.087 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.923 12.113 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.106 13.987 3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.487 13.631 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.080 12.358 1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.653 12.885 1.430 1.00 0.00 H new ATOM 765 N GLY A 50 -4.380 10.269 3.461 1.00 0.00 N ATOM 766 CA GLY A 50 -5.700 9.757 3.251 1.00 0.00 C ATOM 767 C GLY A 50 -6.253 9.516 4.608 1.00 0.00 C ATOM 768 O GLY A 50 -7.427 9.748 4.872 1.00 0.00 O ATOM 0 H GLY A 50 -3.638 9.570 3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.313 10.468 2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.676 8.836 2.668 1.00 0.00 H new ATOM 772 N GLY A 51 -5.389 9.001 5.481 1.00 0.00 N ATOM 773 CA GLY A 51 -5.724 9.003 6.887 1.00 0.00 C ATOM 774 C GLY A 51 -5.958 7.650 7.440 1.00 0.00 C ATOM 775 O GLY A 51 -6.620 7.490 8.456 1.00 0.00 O ATOM 0 H GLY A 51 -4.485 8.593 5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.917 9.480 7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.618 9.608 7.039 1.00 0.00 H new ATOM 779 N HIS A 52 -5.420 6.683 6.797 1.00 0.00 N ATOM 780 CA HIS A 52 -5.537 5.321 7.197 1.00 0.00 C ATOM 781 C HIS A 52 -4.223 4.733 6.907 1.00 0.00 C ATOM 782 O HIS A 52 -3.576 5.152 5.946 1.00 0.00 O ATOM 783 CB HIS A 52 -6.599 4.531 6.363 1.00 0.00 C ATOM 784 CG HIS A 52 -8.061 4.750 6.680 1.00 0.00 C ATOM 785 ND1 HIS A 52 -9.009 3.755 6.539 1.00 0.00 N ATOM 786 CD2 HIS A 52 -8.750 5.847 7.070 1.00 0.00 C ATOM 787 CE1 HIS A 52 -10.193 4.228 6.828 1.00 0.00 C ATOM 788 NE2 HIS A 52 -10.068 5.493 7.151 1.00 0.00 N ATOM 0 H HIS A 52 -4.867 6.815 5.950 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.845 5.268 8.241 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.446 4.775 5.312 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.389 3.468 6.477 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -8.814 2.796 6.252 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.335 6.822 7.279 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -11.118 3.671 6.805 1.00 0.00 H new ATOM 797 N ASN A 53 -3.773 3.853 7.705 1.00 0.00 N ATOM 798 CA ASN A 53 -2.615 3.127 7.305 1.00 0.00 C ATOM 799 C ASN A 53 -3.089 1.932 6.503 1.00 0.00 C ATOM 800 O ASN A 53 -3.397 0.877 7.049 1.00 0.00 O ATOM 801 CB ASN A 53 -1.595 2.778 8.445 1.00 0.00 C ATOM 802 CG ASN A 53 -2.041 1.771 9.560 1.00 0.00 C ATOM 803 OD1 ASN A 53 -1.188 1.085 10.128 1.00 0.00 O ATOM 804 ND2 ASN A 53 -3.334 1.633 9.874 1.00 0.00 N ATOM 0 H ASN A 53 -4.165 3.613 8.615 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.998 3.777 6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.696 2.377 7.976 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.311 3.710 8.933 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -3.617 0.959 10.585 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.037 2.202 9.402 1.00 0.00 H new ATOM 811 N ILE A 54 -3.285 2.185 5.213 1.00 0.00 N ATOM 812 CA ILE A 54 -3.841 1.221 4.275 1.00 0.00 C ATOM 813 C ILE A 54 -3.174 -0.100 4.366 1.00 0.00 C ATOM 814 O ILE A 54 -1.958 -0.204 4.310 1.00 0.00 O ATOM 815 CB ILE A 54 -3.845 1.684 2.765 1.00 0.00 C ATOM 816 CG1 ILE A 54 -4.813 2.868 2.438 1.00 0.00 C ATOM 817 CG2 ILE A 54 -4.255 0.503 1.906 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.689 4.087 3.290 1.00 0.00 C ATOM 0 H ILE A 54 -3.057 3.082 4.784 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.882 1.140 4.589 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.836 2.042 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.655 3.160 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.837 2.502 2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.264 0.801 0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.545 -0.312 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.251 0.170 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.413 4.834 2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.882 3.825 4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.682 4.494 3.199 1.00 0.00 H new ATOM 830 N LYS A 55 -3.985 -1.098 4.466 1.00 0.00 N ATOM 831 CA LYS A 55 -3.541 -2.399 4.468 1.00 0.00 C ATOM 832 C LYS A 55 -4.002 -2.929 3.184 1.00 0.00 C ATOM 833 O LYS A 55 -5.092 -2.557 2.702 1.00 0.00 O ATOM 834 CB LYS A 55 -4.041 -3.249 5.664 1.00 0.00 C ATOM 835 CG LYS A 55 -5.547 -3.335 5.893 1.00 0.00 C ATOM 836 CD LYS A 55 -6.134 -2.038 6.411 1.00 0.00 C ATOM 837 CE LYS A 55 -7.634 -2.112 6.571 1.00 0.00 C ATOM 838 NZ LYS A 55 -8.176 -0.834 7.070 1.00 0.00 N ATOM 0 H LYS A 55 -4.997 -1.000 4.550 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.458 -2.440 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.663 -4.263 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.586 -2.852 6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.038 -3.603 4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.757 -4.134 6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.680 -1.794 7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.883 -1.229 5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.094 -2.357 5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.890 -2.915 7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.598 -0.979 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.409 -0.135 7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.904 -0.486 6.414 1.00 0.00 H new ATOM 852 N ILE A 56 -3.215 -3.684 2.577 1.00 0.00 N ATOM 853 CA ILE A 56 -3.570 -4.153 1.342 1.00 0.00 C ATOM 854 C ILE A 56 -4.264 -5.486 1.525 1.00 0.00 C ATOM 855 O ILE A 56 -3.863 -6.300 2.386 1.00 0.00 O ATOM 856 CB ILE A 56 -2.378 -4.284 0.426 1.00 0.00 C ATOM 857 CG1 ILE A 56 -1.358 -5.291 0.943 1.00 0.00 C ATOM 858 CG2 ILE A 56 -1.760 -2.912 0.223 1.00 0.00 C ATOM 859 CD1 ILE A 56 -0.121 -5.337 0.123 1.00 0.00 C ATOM 0 H ILE A 56 -2.307 -3.993 2.924 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.244 -3.441 0.867 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.717 -4.673 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.097 -5.040 1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.812 -6.282 0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.897 -2.996 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.496 -2.244 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.442 -2.510 1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.566 -6.072 0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.373 -5.617 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.353 -4.356 0.124 1.00 0.00 H new ATOM 871 N ILE A 57 -5.280 -5.721 0.765 1.00 0.00 N ATOM 872 CA ILE A 57 -6.040 -6.929 0.914 1.00 0.00 C ATOM 873 C ILE A 57 -5.322 -8.043 0.267 1.00 0.00 C ATOM 874 O ILE A 57 -5.383 -9.180 0.683 1.00 0.00 O ATOM 875 CB ILE A 57 -7.490 -6.775 0.397 1.00 0.00 C ATOM 876 CG1 ILE A 57 -8.345 -7.925 0.820 1.00 0.00 C ATOM 877 CG2 ILE A 57 -7.576 -6.553 -1.100 1.00 0.00 C ATOM 878 CD1 ILE A 57 -9.797 -7.836 0.376 1.00 0.00 C ATOM 0 H ILE A 57 -5.609 -5.094 0.030 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.136 -7.154 1.976 1.00 0.00 H new ATOM 0 HB ILE A 57 -7.877 -5.868 0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.914 -8.845 0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.316 -8.001 1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.621 -6.454 -1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.037 -5.644 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.132 -7.402 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.340 -8.713 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.251 -6.937 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.843 -7.794 -0.712 1.00 0.00 H new ATOM 890 N ARG A 58 -4.622 -7.672 -0.712 1.00 0.00 N ATOM 891 CA ARG A 58 -3.752 -8.503 -1.428 1.00 0.00 C ATOM 892 C ARG A 58 -2.503 -7.789 -1.798 1.00 0.00 C ATOM 893 O ARG A 58 -2.498 -6.587 -2.042 1.00 0.00 O ATOM 894 CB ARG A 58 -4.395 -9.342 -2.541 1.00 0.00 C ATOM 895 CG ARG A 58 -5.222 -10.526 -2.060 1.00 0.00 C ATOM 896 CD ARG A 58 -4.404 -11.462 -1.184 1.00 0.00 C ATOM 897 NE ARG A 58 -3.341 -12.165 -1.907 1.00 0.00 N ATOM 898 CZ ARG A 58 -2.356 -12.851 -1.304 1.00 0.00 C ATOM 899 NH1 ARG A 58 -2.199 -12.765 0.017 1.00 0.00 N ATOM 900 NH2 ARG A 58 -1.525 -13.593 -2.016 1.00 0.00 N ATOM 0 H ARG A 58 -4.638 -6.715 -1.064 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.454 -9.291 -0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.033 -8.693 -3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.607 -9.711 -3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.085 -10.164 -1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.607 -11.075 -2.920 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.960 -10.889 -0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.070 -12.196 -0.731 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.349 -12.132 -2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.826 -12.179 0.568 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.452 -13.285 0.477 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.630 -13.647 -3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.779 -14.111 -1.552 1.00 0.00 H new ATOM 914 N ASN A 59 -1.467 -8.544 -1.829 1.00 0.00 N ATOM 915 CA ASN A 59 -0.110 -8.075 -1.899 1.00 0.00 C ATOM 916 C ASN A 59 0.408 -7.976 -3.334 1.00 0.00 C ATOM 917 O ASN A 59 1.597 -7.752 -3.567 1.00 0.00 O ATOM 918 CB ASN A 59 0.721 -9.080 -1.126 1.00 0.00 C ATOM 919 CG ASN A 59 0.879 -10.447 -1.806 1.00 0.00 C ATOM 920 OD1 ASN A 59 -0.005 -10.910 -2.532 1.00 0.00 O ATOM 921 ND2 ASN A 59 1.983 -11.102 -1.551 1.00 0.00 N ATOM 0 H ASN A 59 -1.534 -9.562 -1.806 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.048 -7.068 -1.485 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.712 -8.658 -0.958 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.267 -9.228 -0.146 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.133 -12.025 -1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.693 -10.689 -0.946 1.00 0.00 H new ATOM 928 N GLY A 60 -0.474 -8.131 -4.267 1.00 0.00 N ATOM 929 CA GLY A 60 -0.113 -8.131 -5.658 1.00 0.00 C ATOM 930 C GLY A 60 -1.163 -8.869 -6.429 1.00 0.00 C ATOM 931 O GLY A 60 -2.016 -8.259 -7.066 1.00 0.00 O ATOM 0 H GLY A 60 -1.470 -8.262 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.024 -7.108 -6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.859 -8.605 -5.796 1.00 0.00 H new ATOM 935 N PRO A 61 -1.158 -10.193 -6.383 1.00 0.00 N ATOM 936 CA PRO A 61 -2.217 -10.966 -6.967 1.00 0.00 C ATOM 937 C PRO A 61 -3.457 -10.897 -6.076 1.00 0.00 C ATOM 938 O PRO A 61 -3.466 -11.467 -4.958 1.00 0.00 O ATOM 939 CB PRO A 61 -1.669 -12.403 -7.007 1.00 0.00 C ATOM 940 CG PRO A 61 -0.233 -12.301 -6.599 1.00 0.00 C ATOM 941 CD PRO A 61 -0.115 -11.048 -5.797 1.00 0.00 C ATOM 0 HA PRO A 61 -2.507 -10.607 -7.955 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.223 -13.052 -6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.763 -12.830 -8.005 1.00 0.00 H new ATOM 0 HG2 PRO A 61 0.067 -13.169 -6.012 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.418 -12.267 -7.472 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.287 -11.228 -4.736 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.875 -10.600 -5.888 1.00 0.00 H new ATOM 949 N CYS A 62 -4.440 -10.129 -6.508 1.00 0.00 N ATOM 950 CA CYS A 62 -5.702 -10.022 -5.805 1.00 0.00 C ATOM 951 C CYS A 62 -6.392 -11.372 -5.923 1.00 0.00 C ATOM 952 O CYS A 62 -6.747 -11.756 -7.058 1.00 0.00 O ATOM 953 CB CYS A 62 -6.616 -8.912 -6.415 1.00 0.00 C ATOM 954 SG CYS A 62 -5.969 -7.181 -6.411 1.00 0.00 S ATOM 955 OXT CYS A 62 -6.480 -12.116 -4.925 1.00 0.00 O ATOM 0 H CYS A 62 -4.385 -9.563 -7.355 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.519 -9.748 -4.766 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.837 -9.187 -7.446 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.562 -8.919 -5.874 1.00 0.00 H new TER 960 CYS A 62