USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 149:sc= -1.08 (180deg=-3.68!) USER MOD Single : A 1 MET N :NH3+ -155:sc= -3.77! (180deg=-4.89!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 73:sc= 0.826 USER MOD Single : A 13 TYR OH : rot 78:sc= 0.532 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 12:sc= 0.92 USER MOD Single : A 19 MET CE :methyl -174:sc= -6.24! (180deg=-6.49!) USER MOD Single : A 20 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.51) USER MOD Single : A 22 ASN : amide:sc= -0.0534 K(o=-0.053,f=-3.3!) USER MOD Single : A 31 ASN : amide:sc= -0.537 K(o=-0.54,f=-2.1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -53:sc= 0.219 USER MOD Single : A 40 HIS : no HD1:sc= -1.95 K(o=-2,f=-0.83) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.412 -4.635 -0.919 1.00 0.00 N ATOM 2 CA MET A 1 12.051 -4.618 -2.361 1.00 0.00 C ATOM 3 C MET A 1 12.419 -5.935 -3.036 1.00 0.00 C ATOM 4 O MET A 1 11.614 -6.518 -3.762 1.00 0.00 O ATOM 5 CB MET A 1 12.788 -3.457 -3.037 1.00 0.00 C ATOM 6 CG MET A 1 12.516 -2.106 -2.393 1.00 0.00 C ATOM 7 SD MET A 1 10.917 -1.421 -2.867 1.00 0.00 S ATOM 8 CE MET A 1 9.875 -2.056 -1.557 1.00 0.00 C ATOM 0 H1 MET A 1 11.808 -3.964 -0.402 1.00 0.00 H new ATOM 0 H2 MET A 1 12.272 -5.592 -0.537 1.00 0.00 H new ATOM 0 H3 MET A 1 13.409 -4.361 -0.807 1.00 0.00 H new ATOM 0 HA MET A 1 10.973 -4.487 -2.457 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.860 -3.653 -3.011 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.497 -3.415 -4.087 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.555 -2.210 -1.309 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.304 -1.408 -2.675 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.066 -1.352 -1.362 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.456 -3.016 -1.859 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.468 -2.187 -0.652 1.00 0.00 H new ATOM 20 N ARG A 2 13.640 -6.398 -2.791 1.00 0.00 N ATOM 21 CA ARG A 2 14.115 -7.648 -3.375 1.00 0.00 C ATOM 22 C ARG A 2 13.386 -8.844 -2.771 1.00 0.00 C ATOM 23 O ARG A 2 12.861 -9.692 -3.494 1.00 0.00 O ATOM 24 CB ARG A 2 15.623 -7.791 -3.159 1.00 0.00 C ATOM 25 CG ARG A 2 16.344 -8.456 -4.321 1.00 0.00 C ATOM 26 CD ARG A 2 17.819 -8.661 -4.017 1.00 0.00 C ATOM 27 NE ARG A 2 18.491 -7.405 -3.688 1.00 0.00 N ATOM 28 CZ ARG A 2 18.896 -6.514 -4.593 1.00 0.00 C ATOM 29 NH1 ARG A 2 18.704 -6.732 -5.890 1.00 0.00 N ATOM 30 NH2 ARG A 2 19.497 -5.400 -4.200 1.00 0.00 N ATOM 0 H ARG A 2 14.319 -5.927 -2.193 1.00 0.00 H new ATOM 0 HA ARG A 2 13.907 -7.624 -4.445 1.00 0.00 H new ATOM 0 HB2 ARG A 2 16.053 -6.803 -2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 2 15.798 -8.372 -2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 2 15.879 -9.418 -4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 2 16.238 -7.843 -5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 2 17.924 -9.357 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 2 18.306 -9.118 -4.878 1.00 0.00 H new ATOM 0 HE ARG A 2 18.661 -7.197 -2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 2 18.243 -7.587 -6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 2 19.018 -6.044 -6.575 1.00 0.00 H new ATOM 0 HH21 ARG A 2 19.649 -5.226 -3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 2 19.808 -4.717 -4.891 1.00 0.00 H new ATOM 44 N LYS A 3 13.358 -8.906 -1.444 1.00 0.00 N ATOM 45 CA LYS A 3 12.693 -9.997 -0.744 1.00 0.00 C ATOM 46 C LYS A 3 12.483 -9.651 0.726 1.00 0.00 C ATOM 47 O LYS A 3 13.428 -9.646 1.515 1.00 0.00 O ATOM 48 CB LYS A 3 13.511 -11.285 -0.866 1.00 0.00 C ATOM 49 CG LYS A 3 12.808 -12.509 -0.301 1.00 0.00 C ATOM 50 CD LYS A 3 13.111 -13.754 -1.118 1.00 0.00 C ATOM 51 CE LYS A 3 11.984 -14.075 -2.087 1.00 0.00 C ATOM 52 NZ LYS A 3 12.500 -14.578 -3.391 1.00 0.00 N ATOM 0 H LYS A 3 13.789 -8.213 -0.832 1.00 0.00 H new ATOM 0 HA LYS A 3 11.718 -10.151 -1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 3 13.741 -11.461 -1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.462 -11.152 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.121 -12.665 0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.732 -12.336 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.038 -13.609 -1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.268 -14.600 -0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.326 -14.823 -1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.383 -13.181 -2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.701 -14.785 -4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.108 -13.855 -3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.052 -15.445 -3.235 1.00 0.00 H new ATOM 66 N LEU A 4 11.238 -9.358 1.088 1.00 0.00 N ATOM 67 CA LEU A 4 10.904 -9.005 2.464 1.00 0.00 C ATOM 68 C LEU A 4 9.709 -9.817 2.953 1.00 0.00 C ATOM 69 O LEU A 4 8.778 -10.088 2.195 1.00 0.00 O ATOM 70 CB LEU A 4 10.591 -7.508 2.580 1.00 0.00 C ATOM 71 CG LEU A 4 11.358 -6.593 1.618 1.00 0.00 C ATOM 72 CD1 LEU A 4 10.821 -5.174 1.691 1.00 0.00 C ATOM 73 CD2 LEU A 4 12.846 -6.620 1.931 1.00 0.00 C ATOM 0 H LEU A 4 10.444 -9.358 0.448 1.00 0.00 H new ATOM 0 HA LEU A 4 11.768 -9.235 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.523 -7.365 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.801 -7.189 3.601 1.00 0.00 H new ATOM 0 HG LEU A 4 11.214 -6.961 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.377 -4.539 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.766 -5.170 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.934 -4.794 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.375 -5.965 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.009 -6.276 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.221 -7.638 1.826 1.00 0.00 H new ATOM 85 N SER A 5 9.738 -10.195 4.226 1.00 0.00 N ATOM 86 CA SER A 5 8.652 -10.967 4.819 1.00 0.00 C ATOM 87 C SER A 5 7.347 -10.190 4.749 1.00 0.00 C ATOM 88 O SER A 5 7.352 -8.967 4.601 1.00 0.00 O ATOM 89 CB SER A 5 8.977 -11.312 6.274 1.00 0.00 C ATOM 90 OG SER A 5 10.287 -11.838 6.393 1.00 0.00 O ATOM 0 H SER A 5 10.501 -9.980 4.867 1.00 0.00 H new ATOM 0 HA SER A 5 8.540 -11.892 4.253 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.883 -10.419 6.892 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.255 -12.037 6.649 1.00 0.00 H new ATOM 0 HG SER A 5 10.471 -12.049 7.332 1.00 0.00 H new ATOM 96 N ASP A 6 6.225 -10.897 4.864 1.00 0.00 N ATOM 97 CA ASP A 6 4.914 -10.245 4.821 1.00 0.00 C ATOM 98 C ASP A 6 4.828 -9.159 5.890 1.00 0.00 C ATOM 99 O ASP A 6 4.096 -8.184 5.742 1.00 0.00 O ATOM 100 CB ASP A 6 3.766 -11.247 5.016 1.00 0.00 C ATOM 101 CG ASP A 6 4.024 -12.594 4.362 1.00 0.00 C ATOM 102 OD1 ASP A 6 5.064 -13.214 4.668 1.00 0.00 O ATOM 103 OD2 ASP A 6 3.186 -13.027 3.544 1.00 0.00 O ATOM 0 H ASP A 6 6.194 -11.909 4.986 1.00 0.00 H new ATOM 0 HA ASP A 6 4.809 -9.799 3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.600 -11.395 6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.849 -10.822 4.607 1.00 0.00 H new ATOM 108 N GLU A 7 5.595 -9.330 6.962 1.00 0.00 N ATOM 109 CA GLU A 7 5.607 -8.356 8.042 1.00 0.00 C ATOM 110 C GLU A 7 6.343 -7.098 7.608 1.00 0.00 C ATOM 111 O GLU A 7 5.964 -5.988 7.972 1.00 0.00 O ATOM 112 CB GLU A 7 6.258 -8.956 9.293 1.00 0.00 C ATOM 113 CG GLU A 7 5.263 -9.289 10.394 1.00 0.00 C ATOM 114 CD GLU A 7 5.845 -9.108 11.782 1.00 0.00 C ATOM 115 OE1 GLU A 7 6.214 -7.965 12.127 1.00 0.00 O ATOM 116 OE2 GLU A 7 5.934 -10.108 12.523 1.00 0.00 O ATOM 0 H GLU A 7 6.212 -10.130 7.104 1.00 0.00 H new ATOM 0 HA GLU A 7 4.578 -8.089 8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.796 -9.862 9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.996 -8.254 9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.383 -8.654 10.288 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.928 -10.320 10.276 1.00 0.00 H new ATOM 123 N LEU A 8 7.393 -7.285 6.818 1.00 0.00 N ATOM 124 CA LEU A 8 8.186 -6.169 6.316 1.00 0.00 C ATOM 125 C LEU A 8 7.510 -5.521 5.113 1.00 0.00 C ATOM 126 O LEU A 8 7.558 -4.304 4.939 1.00 0.00 O ATOM 127 CB LEU A 8 9.585 -6.643 5.935 1.00 0.00 C ATOM 128 CG LEU A 8 10.584 -6.670 7.089 1.00 0.00 C ATOM 129 CD1 LEU A 8 10.924 -5.257 7.533 1.00 0.00 C ATOM 130 CD2 LEU A 8 10.035 -7.482 8.255 1.00 0.00 C ATOM 0 H LEU A 8 7.716 -8.202 6.510 1.00 0.00 H new ATOM 0 HA LEU A 8 8.266 -5.426 7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.512 -7.645 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.973 -5.993 5.151 1.00 0.00 H new ATOM 0 HG LEU A 8 11.499 -7.149 6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.637 -5.296 8.356 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.362 -4.709 6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.017 -4.751 7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.762 -7.489 9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.105 -7.034 8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.845 -8.505 7.929 1.00 0.00 H new ATOM 142 N LEU A 9 6.876 -6.347 4.288 1.00 0.00 N ATOM 143 CA LEU A 9 6.185 -5.863 3.099 1.00 0.00 C ATOM 144 C LEU A 9 4.873 -5.188 3.471 1.00 0.00 C ATOM 145 O LEU A 9 4.543 -4.119 2.955 1.00 0.00 O ATOM 146 CB LEU A 9 5.926 -7.023 2.130 1.00 0.00 C ATOM 147 CG LEU A 9 5.095 -6.671 0.892 1.00 0.00 C ATOM 148 CD1 LEU A 9 5.916 -5.850 -0.089 1.00 0.00 C ATOM 149 CD2 LEU A 9 4.572 -7.936 0.227 1.00 0.00 C ATOM 0 H LEU A 9 6.826 -7.357 4.421 1.00 0.00 H new ATOM 0 HA LEU A 9 6.822 -5.126 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.886 -7.421 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.419 -7.821 2.672 1.00 0.00 H new ATOM 0 HG LEU A 9 4.242 -6.070 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.308 -5.610 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.241 -4.927 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.789 -6.423 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.984 -7.669 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.412 -8.562 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.946 -8.485 0.930 1.00 0.00 H new ATOM 161 N ILE A 10 4.128 -5.812 4.372 1.00 0.00 N ATOM 162 CA ILE A 10 2.857 -5.258 4.802 1.00 0.00 C ATOM 163 C ILE A 10 3.078 -4.014 5.651 1.00 0.00 C ATOM 164 O ILE A 10 2.299 -3.062 5.589 1.00 0.00 O ATOM 165 CB ILE A 10 2.018 -6.302 5.563 1.00 0.00 C ATOM 166 CG1 ILE A 10 1.714 -7.477 4.639 1.00 0.00 C ATOM 167 CG2 ILE A 10 0.720 -5.700 6.087 1.00 0.00 C ATOM 168 CD1 ILE A 10 1.285 -8.716 5.375 1.00 0.00 C ATOM 0 H ILE A 10 4.381 -6.695 4.815 1.00 0.00 H new ATOM 0 HA ILE A 10 2.296 -4.973 3.912 1.00 0.00 H new ATOM 0 HB ILE A 10 2.594 -6.646 6.422 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.929 -7.187 3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.600 -7.703 4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.153 -6.464 6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.948 -4.879 6.767 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.129 -5.326 5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.084 -9.513 4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.078 -9.029 6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.381 -8.505 5.946 1.00 0.00 H new ATOM 180 N GLU A 11 4.155 -4.015 6.426 1.00 0.00 N ATOM 181 CA GLU A 11 4.482 -2.870 7.262 1.00 0.00 C ATOM 182 C GLU A 11 4.748 -1.648 6.394 1.00 0.00 C ATOM 183 O GLU A 11 4.517 -0.518 6.816 1.00 0.00 O ATOM 184 CB GLU A 11 5.703 -3.167 8.128 1.00 0.00 C ATOM 185 CG GLU A 11 5.362 -3.777 9.477 1.00 0.00 C ATOM 186 CD GLU A 11 6.586 -4.280 10.216 1.00 0.00 C ATOM 187 OE1 GLU A 11 7.577 -4.643 9.547 1.00 0.00 O ATOM 188 OE2 GLU A 11 6.555 -4.311 11.464 1.00 0.00 O ATOM 0 H GLU A 11 4.813 -4.792 6.492 1.00 0.00 H new ATOM 0 HA GLU A 11 3.633 -2.668 7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.363 -3.846 7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.258 -2.242 8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.853 -3.033 10.090 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.665 -4.602 9.332 1.00 0.00 H new ATOM 195 N SER A 12 5.222 -1.885 5.173 1.00 0.00 N ATOM 196 CA SER A 12 5.501 -0.798 4.246 1.00 0.00 C ATOM 197 C SER A 12 4.195 -0.218 3.729 1.00 0.00 C ATOM 198 O SER A 12 4.006 0.998 3.709 1.00 0.00 O ATOM 199 CB SER A 12 6.360 -1.292 3.079 1.00 0.00 C ATOM 200 OG SER A 12 7.356 -2.195 3.526 1.00 0.00 O ATOM 0 H SER A 12 5.419 -2.816 4.806 1.00 0.00 H new ATOM 0 HA SER A 12 6.055 -0.021 4.772 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.727 -1.781 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.831 -0.442 2.584 1.00 0.00 H new ATOM 0 HG SER A 12 6.940 -3.050 3.763 1.00 0.00 H new ATOM 206 N TYR A 13 3.284 -1.101 3.330 1.00 0.00 N ATOM 207 CA TYR A 13 1.984 -0.675 2.838 1.00 0.00 C ATOM 208 C TYR A 13 1.207 0.008 3.953 1.00 0.00 C ATOM 209 O TYR A 13 0.528 1.010 3.732 1.00 0.00 O ATOM 210 CB TYR A 13 1.186 -1.870 2.312 1.00 0.00 C ATOM 211 CG TYR A 13 -0.105 -1.478 1.631 1.00 0.00 C ATOM 212 CD1 TYR A 13 -0.095 -0.825 0.405 1.00 0.00 C ATOM 213 CD2 TYR A 13 -1.334 -1.758 2.215 1.00 0.00 C ATOM 214 CE1 TYR A 13 -1.274 -0.463 -0.220 1.00 0.00 C ATOM 215 CE2 TYR A 13 -2.517 -1.399 1.597 1.00 0.00 C ATOM 216 CZ TYR A 13 -2.481 -0.752 0.380 1.00 0.00 C ATOM 217 OH TYR A 13 -3.656 -0.392 -0.239 1.00 0.00 O ATOM 0 H TYR A 13 3.424 -2.111 3.339 1.00 0.00 H new ATOM 0 HA TYR A 13 2.139 0.028 2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.804 -2.429 1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.961 -2.541 3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.849 -0.596 -0.068 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.366 -2.265 3.168 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.249 0.044 -1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.464 -1.624 2.065 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.854 -1.027 -0.959 1.00 0.00 H new ATOM 227 N PHE A 14 1.323 -0.542 5.157 1.00 0.00 N ATOM 228 CA PHE A 14 0.642 0.011 6.319 1.00 0.00 C ATOM 229 C PHE A 14 1.276 1.338 6.720 1.00 0.00 C ATOM 230 O PHE A 14 0.581 2.320 6.982 1.00 0.00 O ATOM 231 CB PHE A 14 0.703 -0.982 7.485 1.00 0.00 C ATOM 232 CG PHE A 14 -0.186 -2.200 7.340 1.00 0.00 C ATOM 233 CD1 PHE A 14 -0.726 -2.569 6.111 1.00 0.00 C ATOM 234 CD2 PHE A 14 -0.471 -2.987 8.447 1.00 0.00 C ATOM 235 CE1 PHE A 14 -1.525 -3.691 5.995 1.00 0.00 C ATOM 236 CE2 PHE A 14 -1.274 -4.108 8.335 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.800 -4.462 7.108 1.00 0.00 C ATOM 0 H PHE A 14 1.883 -1.372 5.352 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.403 0.189 6.064 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.734 -1.316 7.604 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.430 -0.459 8.402 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.518 -1.971 5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.060 -2.721 9.410 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.934 -3.965 5.034 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.490 -4.707 9.208 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.424 -5.339 7.019 1.00 0.00 H new ATOM 247 N LYS A 15 2.604 1.359 6.753 1.00 0.00 N ATOM 248 CA LYS A 15 3.341 2.563 7.108 1.00 0.00 C ATOM 249 C LYS A 15 3.126 3.646 6.061 1.00 0.00 C ATOM 250 O LYS A 15 2.846 4.797 6.391 1.00 0.00 O ATOM 251 CB LYS A 15 4.835 2.255 7.233 1.00 0.00 C ATOM 252 CG LYS A 15 5.218 1.617 8.559 1.00 0.00 C ATOM 253 CD LYS A 15 4.934 2.549 9.728 1.00 0.00 C ATOM 254 CE LYS A 15 3.624 2.198 10.415 1.00 0.00 C ATOM 255 NZ LYS A 15 3.715 2.347 11.894 1.00 0.00 N ATOM 0 H LYS A 15 3.192 0.554 6.538 1.00 0.00 H new ATOM 0 HA LYS A 15 2.970 2.921 8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.129 1.590 6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.399 3.179 7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.664 0.687 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.277 1.358 8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.750 2.491 10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.895 3.579 9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.831 2.841 10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.349 1.172 10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.802 2.098 12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.455 1.715 12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.952 3.332 12.130 1.00 0.00 H new ATOM 269 N ALA A 16 3.266 3.264 4.796 1.00 0.00 N ATOM 270 CA ALA A 16 3.097 4.196 3.692 1.00 0.00 C ATOM 271 C ALA A 16 1.686 4.766 3.649 1.00 0.00 C ATOM 272 O ALA A 16 1.490 5.927 3.292 1.00 0.00 O ATOM 273 CB ALA A 16 3.437 3.518 2.374 1.00 0.00 C ATOM 0 H ALA A 16 3.497 2.312 4.511 1.00 0.00 H new ATOM 0 HA ALA A 16 3.783 5.028 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.306 4.226 1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.472 3.177 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.777 2.664 2.223 1.00 0.00 H new ATOM 279 N THR A 17 0.701 3.954 4.014 1.00 0.00 N ATOM 280 CA THR A 17 -0.684 4.405 4.014 1.00 0.00 C ATOM 281 C THR A 17 -0.907 5.435 5.116 1.00 0.00 C ATOM 282 O THR A 17 -1.722 6.347 4.973 1.00 0.00 O ATOM 283 CB THR A 17 -1.637 3.224 4.194 1.00 0.00 C ATOM 284 OG1 THR A 17 -1.229 2.407 5.277 1.00 0.00 O ATOM 285 CG2 THR A 17 -1.739 2.344 2.968 1.00 0.00 C ATOM 0 H THR A 17 0.834 2.987 4.311 1.00 0.00 H new ATOM 0 HA THR A 17 -0.891 4.871 3.051 1.00 0.00 H new ATOM 0 HB THR A 17 -2.613 3.670 4.383 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.540 2.872 5.796 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.431 1.525 3.164 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.103 2.933 2.126 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.756 1.938 2.729 1.00 0.00 H new ATOM 293 N GLU A 18 -0.180 5.278 6.218 1.00 0.00 N ATOM 294 CA GLU A 18 -0.296 6.190 7.350 1.00 0.00 C ATOM 295 C GLU A 18 0.400 7.520 7.070 1.00 0.00 C ATOM 296 O GLU A 18 -0.147 8.588 7.341 1.00 0.00 O ATOM 297 CB GLU A 18 0.289 5.541 8.610 1.00 0.00 C ATOM 298 CG GLU A 18 -0.767 5.033 9.577 1.00 0.00 C ATOM 299 CD GLU A 18 -1.668 6.139 10.091 1.00 0.00 C ATOM 300 OE1 GLU A 18 -1.144 7.101 10.691 1.00 0.00 O ATOM 301 OE2 GLU A 18 -2.898 6.043 9.893 1.00 0.00 O ATOM 0 H GLU A 18 0.497 4.526 6.351 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.355 6.395 7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.931 4.710 8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.921 6.266 9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.374 4.276 9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.278 4.547 10.421 1.00 0.00 H new ATOM 308 N MET A 19 1.611 7.442 6.537 1.00 0.00 N ATOM 309 CA MET A 19 2.393 8.634 6.229 1.00 0.00 C ATOM 310 C MET A 19 2.008 9.243 4.879 1.00 0.00 C ATOM 311 O MET A 19 2.378 10.377 4.578 1.00 0.00 O ATOM 312 CB MET A 19 3.880 8.287 6.232 1.00 0.00 C ATOM 313 CG MET A 19 4.306 7.374 5.094 1.00 0.00 C ATOM 314 SD MET A 19 6.093 7.148 5.019 1.00 0.00 S ATOM 315 CE MET A 19 6.209 5.363 5.097 1.00 0.00 C ATOM 0 H MET A 19 2.076 6.563 6.308 1.00 0.00 H new ATOM 0 HA MET A 19 2.179 9.377 6.998 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.458 9.210 6.179 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.129 7.809 7.180 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.825 6.403 5.213 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.956 7.790 4.149 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.256 5.069 5.168 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.670 5.001 5.973 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.771 4.930 4.197 1.00 0.00 H new ATOM 325 N ASN A 20 1.281 8.482 4.061 1.00 0.00 N ATOM 326 CA ASN A 20 0.868 8.940 2.735 1.00 0.00 C ATOM 327 C ASN A 20 2.054 8.915 1.779 1.00 0.00 C ATOM 328 O ASN A 20 2.226 9.810 0.951 1.00 0.00 O ATOM 329 CB ASN A 20 0.262 10.347 2.790 1.00 0.00 C ATOM 330 CG ASN A 20 -0.708 10.516 3.943 1.00 0.00 C ATOM 331 OD1 ASN A 20 -0.383 11.134 4.958 1.00 0.00 O ATOM 332 ND2 ASN A 20 -1.907 9.965 3.793 1.00 0.00 N ATOM 0 H ASN A 20 0.965 7.541 4.295 1.00 0.00 H new ATOM 0 HA ASN A 20 0.098 8.260 2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.063 11.081 2.882 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.254 10.554 1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.602 10.045 4.536 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.133 9.462 2.935 1.00 0.00 H new ATOM 339 N LEU A 21 2.873 7.872 1.907 1.00 0.00 N ATOM 340 CA LEU A 21 4.057 7.699 1.069 1.00 0.00 C ATOM 341 C LEU A 21 3.673 7.717 -0.411 1.00 0.00 C ATOM 342 O LEU A 21 2.517 7.471 -0.758 1.00 0.00 O ATOM 343 CB LEU A 21 4.744 6.374 1.421 1.00 0.00 C ATOM 344 CG LEU A 21 6.249 6.309 1.143 1.00 0.00 C ATOM 345 CD1 LEU A 21 6.902 5.251 2.022 1.00 0.00 C ATOM 346 CD2 LEU A 21 6.519 6.026 -0.333 1.00 0.00 C ATOM 0 H LEU A 21 2.735 7.128 2.591 1.00 0.00 H new ATOM 0 HA LEU A 21 4.746 8.523 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.580 6.171 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.256 5.574 0.864 1.00 0.00 H new ATOM 0 HG LEU A 21 6.685 7.279 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.971 5.215 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.744 5.501 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.459 4.278 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.595 5.985 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.071 5.071 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.085 6.820 -0.941 1.00 0.00 H new ATOM 358 N ASN A 22 4.646 8.014 -1.278 1.00 0.00 N ATOM 359 CA ASN A 22 4.419 8.073 -2.730 1.00 0.00 C ATOM 360 C ASN A 22 3.528 6.928 -3.222 1.00 0.00 C ATOM 361 O ASN A 22 3.726 5.770 -2.854 1.00 0.00 O ATOM 362 CB ASN A 22 5.757 8.038 -3.470 1.00 0.00 C ATOM 363 CG ASN A 22 5.625 8.439 -4.926 1.00 0.00 C ATOM 364 OD1 ASN A 22 4.551 8.839 -5.377 1.00 0.00 O ATOM 365 ND2 ASN A 22 6.719 8.334 -5.671 1.00 0.00 N ATOM 0 H ASN A 22 5.606 8.219 -0.999 1.00 0.00 H new ATOM 0 HA ASN A 22 3.902 9.009 -2.940 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.460 8.707 -2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.176 7.034 -3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.690 8.590 -6.658 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.588 7.998 -5.256 1.00 0.00 H new ATOM 372 N ARG A 23 2.538 7.271 -4.040 1.00 0.00 N ATOM 373 CA ARG A 23 1.598 6.287 -4.576 1.00 0.00 C ATOM 374 C ARG A 23 2.314 5.125 -5.255 1.00 0.00 C ATOM 375 O ARG A 23 1.803 4.007 -5.282 1.00 0.00 O ATOM 376 CB ARG A 23 0.644 6.957 -5.568 1.00 0.00 C ATOM 377 CG ARG A 23 -0.628 6.164 -5.819 1.00 0.00 C ATOM 378 CD ARG A 23 -1.609 6.305 -4.666 1.00 0.00 C ATOM 379 NE ARG A 23 -2.840 5.552 -4.900 1.00 0.00 N ATOM 380 CZ ARG A 23 -3.762 5.316 -3.965 1.00 0.00 C ATOM 381 NH1 ARG A 23 -3.601 5.770 -2.727 1.00 0.00 N ATOM 382 NH2 ARG A 23 -4.850 4.623 -4.272 1.00 0.00 N ATOM 0 H ARG A 23 2.364 8.227 -4.349 1.00 0.00 H new ATOM 0 HA ARG A 23 1.033 5.884 -3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.378 7.945 -5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.163 7.105 -6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.097 6.508 -6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.380 5.112 -5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.140 5.956 -3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.850 7.358 -4.522 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.004 5.184 -5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.767 6.304 -2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.312 5.584 -2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.980 4.272 -5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.557 4.441 -3.559 1.00 0.00 H new ATOM 396 N ASP A 24 3.491 5.387 -5.805 1.00 0.00 N ATOM 397 CA ASP A 24 4.254 4.348 -6.482 1.00 0.00 C ATOM 398 C ASP A 24 4.736 3.292 -5.495 1.00 0.00 C ATOM 399 O ASP A 24 4.773 2.102 -5.813 1.00 0.00 O ATOM 400 CB ASP A 24 5.441 4.954 -7.233 1.00 0.00 C ATOM 401 CG ASP A 24 5.647 4.323 -8.596 1.00 0.00 C ATOM 402 OD1 ASP A 24 4.812 4.563 -9.494 1.00 0.00 O ATOM 403 OD2 ASP A 24 6.644 3.590 -8.767 1.00 0.00 O ATOM 0 H ASP A 24 3.936 6.305 -5.796 1.00 0.00 H new ATOM 0 HA ASP A 24 3.595 3.865 -7.203 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.283 6.026 -7.352 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.346 4.830 -6.638 1.00 0.00 H new ATOM 408 N PHE A 25 5.089 3.726 -4.291 1.00 0.00 N ATOM 409 CA PHE A 25 5.547 2.811 -3.258 1.00 0.00 C ATOM 410 C PHE A 25 4.358 2.040 -2.709 1.00 0.00 C ATOM 411 O PHE A 25 4.418 0.826 -2.521 1.00 0.00 O ATOM 412 CB PHE A 25 6.248 3.575 -2.134 1.00 0.00 C ATOM 413 CG PHE A 25 7.239 2.744 -1.371 1.00 0.00 C ATOM 414 CD1 PHE A 25 8.374 2.250 -1.996 1.00 0.00 C ATOM 415 CD2 PHE A 25 7.038 2.458 -0.031 1.00 0.00 C ATOM 416 CE1 PHE A 25 9.288 1.485 -1.297 1.00 0.00 C ATOM 417 CE2 PHE A 25 7.949 1.693 0.674 1.00 0.00 C ATOM 418 CZ PHE A 25 9.075 1.207 0.040 1.00 0.00 C ATOM 0 H PHE A 25 5.066 4.706 -4.008 1.00 0.00 H new ATOM 0 HA PHE A 25 6.264 2.113 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.760 4.439 -2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.497 3.957 -1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.545 2.466 -3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.159 2.837 0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.168 1.105 -1.795 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.780 1.476 1.718 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.789 0.610 0.588 1.00 0.00 H new ATOM 428 N ILE A 26 3.267 2.761 -2.479 1.00 0.00 N ATOM 429 CA ILE A 26 2.043 2.161 -1.977 1.00 0.00 C ATOM 430 C ILE A 26 1.519 1.135 -2.978 1.00 0.00 C ATOM 431 O ILE A 26 1.178 0.013 -2.607 1.00 0.00 O ATOM 432 CB ILE A 26 0.969 3.244 -1.705 1.00 0.00 C ATOM 433 CG1 ILE A 26 1.448 4.186 -0.595 1.00 0.00 C ATOM 434 CG2 ILE A 26 -0.373 2.617 -1.327 1.00 0.00 C ATOM 435 CD1 ILE A 26 0.445 5.260 -0.226 1.00 0.00 C ATOM 0 H ILE A 26 3.208 3.767 -2.634 1.00 0.00 H new ATOM 0 HA ILE A 26 2.264 1.659 -1.035 1.00 0.00 H new ATOM 0 HB ILE A 26 0.822 3.814 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.679 3.598 0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.376 4.662 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.104 3.405 -1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.721 1.983 -2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.253 2.016 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.857 5.886 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.232 5.875 -1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.476 4.793 0.123 1.00 0.00 H new ATOM 447 N GLU A 27 1.471 1.522 -4.249 1.00 0.00 N ATOM 448 CA GLU A 27 1.001 0.623 -5.292 1.00 0.00 C ATOM 449 C GLU A 27 1.995 -0.513 -5.500 1.00 0.00 C ATOM 450 O GLU A 27 1.616 -1.630 -5.849 1.00 0.00 O ATOM 451 CB GLU A 27 0.787 1.383 -6.603 1.00 0.00 C ATOM 452 CG GLU A 27 -0.432 0.919 -7.384 1.00 0.00 C ATOM 453 CD GLU A 27 -0.172 0.835 -8.875 1.00 0.00 C ATOM 454 OE1 GLU A 27 -0.320 1.867 -9.563 1.00 0.00 O ATOM 455 OE2 GLU A 27 0.180 -0.263 -9.355 1.00 0.00 O ATOM 0 H GLU A 27 1.750 2.446 -4.578 1.00 0.00 H new ATOM 0 HA GLU A 27 0.047 0.202 -4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.685 2.446 -6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.673 1.270 -7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.743 -0.059 -7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.259 1.605 -7.201 1.00 0.00 H new ATOM 462 N LEU A 28 3.269 -0.216 -5.274 1.00 0.00 N ATOM 463 CA LEU A 28 4.324 -1.207 -5.424 1.00 0.00 C ATOM 464 C LEU A 28 4.203 -2.268 -4.333 1.00 0.00 C ATOM 465 O LEU A 28 4.259 -3.467 -4.611 1.00 0.00 O ATOM 466 CB LEU A 28 5.695 -0.503 -5.383 1.00 0.00 C ATOM 467 CG LEU A 28 6.903 -1.371 -5.009 1.00 0.00 C ATOM 468 CD1 LEU A 28 8.173 -0.805 -5.625 1.00 0.00 C ATOM 469 CD2 LEU A 28 7.043 -1.459 -3.497 1.00 0.00 C ATOM 0 H LEU A 28 3.596 0.706 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 28 4.227 -1.711 -6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.882 -0.064 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.634 0.320 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 28 6.744 -2.375 -5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.021 -1.432 -5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.073 -0.784 -6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.336 0.208 -5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.904 -2.078 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.183 -0.459 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.142 -1.903 -3.073 1.00 0.00 H new ATOM 481 N ILE A 29 4.021 -1.822 -3.097 1.00 0.00 N ATOM 482 CA ILE A 29 3.874 -2.739 -1.981 1.00 0.00 C ATOM 483 C ILE A 29 2.537 -3.462 -2.073 1.00 0.00 C ATOM 484 O ILE A 29 2.414 -4.620 -1.673 1.00 0.00 O ATOM 485 CB ILE A 29 3.972 -2.009 -0.626 1.00 0.00 C ATOM 486 CG1 ILE A 29 5.244 -1.162 -0.566 1.00 0.00 C ATOM 487 CG2 ILE A 29 3.951 -3.011 0.517 1.00 0.00 C ATOM 488 CD1 ILE A 29 5.095 0.094 0.266 1.00 0.00 C ATOM 0 H ILE A 29 3.972 -0.835 -2.845 1.00 0.00 H new ATOM 0 HA ILE A 29 4.690 -3.460 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 29 3.111 -1.348 -0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.054 -1.766 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.534 -0.885 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.021 -2.481 1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.021 -3.579 0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.796 -3.693 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.035 0.645 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.307 0.718 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.835 -0.176 1.289 1.00 0.00 H new ATOM 500 N GLU A 30 1.539 -2.773 -2.620 1.00 0.00 N ATOM 501 CA GLU A 30 0.213 -3.350 -2.786 1.00 0.00 C ATOM 502 C GLU A 30 0.202 -4.311 -3.969 1.00 0.00 C ATOM 503 O GLU A 30 -0.511 -5.314 -3.960 1.00 0.00 O ATOM 504 CB GLU A 30 -0.827 -2.248 -2.996 1.00 0.00 C ATOM 505 CG GLU A 30 -2.234 -2.648 -2.584 1.00 0.00 C ATOM 506 CD GLU A 30 -3.293 -1.731 -3.165 1.00 0.00 C ATOM 507 OE1 GLU A 30 -3.024 -1.102 -4.210 1.00 0.00 O ATOM 508 OE2 GLU A 30 -4.390 -1.643 -2.575 1.00 0.00 O ATOM 0 H GLU A 30 1.626 -1.814 -2.955 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.041 -3.901 -1.880 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.529 -1.367 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.833 -1.963 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.427 -3.671 -2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.307 -2.639 -1.496 1.00 0.00 H new ATOM 515 N ASN A 31 1.001 -3.993 -4.984 1.00 0.00 N ATOM 516 CA ASN A 31 1.093 -4.822 -6.178 1.00 0.00 C ATOM 517 C ASN A 31 1.775 -6.151 -5.869 1.00 0.00 C ATOM 518 O ASN A 31 1.482 -7.168 -6.495 1.00 0.00 O ATOM 519 CB ASN A 31 1.856 -4.081 -7.278 1.00 0.00 C ATOM 520 CG ASN A 31 0.958 -3.171 -8.093 1.00 0.00 C ATOM 521 OD1 ASN A 31 -0.191 -2.925 -7.729 1.00 0.00 O ATOM 522 ND2 ASN A 31 1.480 -2.667 -9.206 1.00 0.00 N ATOM 0 H ASN A 31 1.595 -3.164 -5.001 1.00 0.00 H new ATOM 0 HA ASN A 31 0.081 -5.031 -6.526 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.654 -3.491 -6.828 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.330 -4.806 -7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.923 -2.049 -9.796 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.438 -2.898 -9.470 1.00 0.00 H new ATOM 529 N GLU A 32 2.672 -6.138 -4.890 1.00 0.00 N ATOM 530 CA GLU A 32 3.376 -7.347 -4.492 1.00 0.00 C ATOM 531 C GLU A 32 2.484 -8.180 -3.588 1.00 0.00 C ATOM 532 O GLU A 32 2.349 -9.390 -3.764 1.00 0.00 O ATOM 533 CB GLU A 32 4.681 -7.001 -3.773 1.00 0.00 C ATOM 534 CG GLU A 32 5.471 -8.218 -3.323 1.00 0.00 C ATOM 535 CD GLU A 32 6.364 -8.771 -4.417 1.00 0.00 C ATOM 536 OE1 GLU A 32 7.122 -7.982 -5.019 1.00 0.00 O ATOM 537 OE2 GLU A 32 6.305 -9.992 -4.671 1.00 0.00 O ATOM 0 H GLU A 32 2.927 -5.305 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 32 3.622 -7.921 -5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.303 -6.400 -4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.454 -6.384 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.082 -7.951 -2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.780 -8.995 -2.996 1.00 0.00 H new ATOM 544 N ILE A 33 1.854 -7.507 -2.634 1.00 0.00 N ATOM 545 CA ILE A 33 0.945 -8.161 -1.709 1.00 0.00 C ATOM 546 C ILE A 33 -0.256 -8.710 -2.473 1.00 0.00 C ATOM 547 O ILE A 33 -0.803 -9.756 -2.122 1.00 0.00 O ATOM 548 CB ILE A 33 0.477 -7.174 -0.612 1.00 0.00 C ATOM 549 CG1 ILE A 33 1.678 -6.703 0.213 1.00 0.00 C ATOM 550 CG2 ILE A 33 -0.583 -7.802 0.293 1.00 0.00 C ATOM 551 CD1 ILE A 33 1.402 -5.456 1.026 1.00 0.00 C ATOM 0 H ILE A 33 1.958 -6.504 -2.482 1.00 0.00 H new ATOM 0 HA ILE A 33 1.469 -8.984 -1.224 1.00 0.00 H new ATOM 0 HB ILE A 33 0.021 -6.314 -1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.984 -7.505 0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.516 -6.512 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.888 -7.081 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.448 -8.088 -0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.169 -8.686 0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.296 -5.181 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.126 -4.640 0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.585 -5.648 1.721 1.00 0.00 H new ATOM 563 N LYS A 34 -0.654 -8.003 -3.528 1.00 0.00 N ATOM 564 CA LYS A 34 -1.779 -8.430 -4.345 1.00 0.00 C ATOM 565 C LYS A 34 -1.420 -9.703 -5.103 1.00 0.00 C ATOM 566 O LYS A 34 -2.183 -10.669 -5.117 1.00 0.00 O ATOM 567 CB LYS A 34 -2.171 -7.325 -5.328 1.00 0.00 C ATOM 568 CG LYS A 34 -3.297 -6.436 -4.828 1.00 0.00 C ATOM 569 CD LYS A 34 -3.570 -5.289 -5.788 1.00 0.00 C ATOM 570 CE LYS A 34 -3.852 -3.995 -5.042 1.00 0.00 C ATOM 571 NZ LYS A 34 -4.930 -3.200 -5.693 1.00 0.00 N ATOM 0 H LYS A 34 -0.214 -7.135 -3.834 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.628 -8.634 -3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.297 -6.708 -5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.471 -7.780 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.202 -7.030 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.039 -6.037 -3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.712 -5.152 -6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.421 -5.538 -6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.139 -4.223 -4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.941 -3.399 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.091 -2.326 -5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.646 -2.960 -6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.807 -3.759 -5.717 1.00 0.00 H new ATOM 585 N ARG A 35 -0.242 -9.698 -5.723 1.00 0.00 N ATOM 586 CA ARG A 35 0.235 -10.853 -6.472 1.00 0.00 C ATOM 587 C ARG A 35 0.601 -11.996 -5.527 1.00 0.00 C ATOM 588 O ARG A 35 0.568 -13.166 -5.909 1.00 0.00 O ATOM 589 CB ARG A 35 1.448 -10.471 -7.323 1.00 0.00 C ATOM 590 CG ARG A 35 1.706 -11.427 -8.476 1.00 0.00 C ATOM 591 CD ARG A 35 2.352 -10.715 -9.654 1.00 0.00 C ATOM 592 NE ARG A 35 2.747 -11.648 -10.708 1.00 0.00 N ATOM 593 CZ ARG A 35 3.125 -11.277 -11.931 1.00 0.00 C ATOM 594 NH1 ARG A 35 3.168 -9.991 -12.266 1.00 0.00 N ATOM 595 NH2 ARG A 35 3.465 -12.196 -12.825 1.00 0.00 N ATOM 0 H ARG A 35 0.399 -8.905 -5.720 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.568 -11.188 -7.129 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.301 -9.467 -7.720 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.332 -10.436 -6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.352 -12.238 -8.140 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.766 -11.879 -8.793 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.655 -9.982 -10.061 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.228 -10.165 -9.309 1.00 0.00 H new ATOM 0 HE ARG A 35 2.732 -12.645 -10.494 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.910 -9.277 -11.584 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.459 -9.718 -13.205 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.437 -13.185 -12.576 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.755 -11.914 -13.761 1.00 0.00 H new ATOM 609 N ARG A 36 0.944 -11.647 -4.286 1.00 0.00 N ATOM 610 CA ARG A 36 1.309 -12.639 -3.282 1.00 0.00 C ATOM 611 C ARG A 36 0.075 -13.311 -2.667 1.00 0.00 C ATOM 612 O ARG A 36 0.205 -14.140 -1.768 1.00 0.00 O ATOM 613 CB ARG A 36 2.137 -11.978 -2.175 1.00 0.00 C ATOM 614 CG ARG A 36 3.617 -11.868 -2.503 1.00 0.00 C ATOM 615 CD ARG A 36 4.465 -11.852 -1.242 1.00 0.00 C ATOM 616 NE ARG A 36 5.786 -11.273 -1.476 1.00 0.00 N ATOM 617 CZ ARG A 36 6.716 -11.123 -0.531 1.00 0.00 C ATOM 618 NH1 ARG A 36 6.479 -11.510 0.718 1.00 0.00 N ATOM 619 NH2 ARG A 36 7.887 -10.585 -0.837 1.00 0.00 N ATOM 0 H ARG A 36 0.976 -10.683 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 36 1.898 -13.410 -3.779 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.741 -10.981 -1.984 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.019 -12.550 -1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.915 -12.706 -3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.798 -10.959 -3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.952 -11.282 -0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.577 -12.870 -0.868 1.00 0.00 H new ATOM 0 HE ARG A 36 6.011 -10.964 -2.422 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.580 -11.926 0.961 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.196 -11.391 1.433 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.077 -10.286 -1.794 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.599 -10.469 -0.116 1.00 0.00 H new ATOM 633 N SER A 37 -1.124 -12.948 -3.137 1.00 0.00 N ATOM 634 CA SER A 37 -2.353 -13.522 -2.603 1.00 0.00 C ATOM 635 C SER A 37 -2.483 -13.191 -1.122 1.00 0.00 C ATOM 636 O SER A 37 -2.990 -13.991 -0.335 1.00 0.00 O ATOM 637 CB SER A 37 -2.369 -15.039 -2.807 1.00 0.00 C ATOM 638 OG SER A 37 -3.667 -15.568 -2.596 1.00 0.00 O ATOM 0 H SER A 37 -1.264 -12.264 -3.881 1.00 0.00 H new ATOM 0 HA SER A 37 -3.199 -13.092 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.036 -15.277 -3.817 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.665 -15.509 -2.120 1.00 0.00 H new ATOM 0 HG SER A 37 -4.001 -15.276 -1.722 1.00 0.00 H new ATOM 644 N LEU A 38 -2.007 -12.007 -0.754 1.00 0.00 N ATOM 645 CA LEU A 38 -2.052 -11.558 0.630 1.00 0.00 C ATOM 646 C LEU A 38 -2.796 -10.227 0.756 1.00 0.00 C ATOM 647 O LEU A 38 -2.667 -9.536 1.763 1.00 0.00 O ATOM 648 CB LEU A 38 -0.629 -11.426 1.166 1.00 0.00 C ATOM 649 CG LEU A 38 -0.491 -11.604 2.673 1.00 0.00 C ATOM 650 CD1 LEU A 38 -0.743 -13.054 3.055 1.00 0.00 C ATOM 651 CD2 LEU A 38 0.888 -11.167 3.132 1.00 0.00 C ATOM 0 H LEU A 38 -1.584 -11.339 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.596 -12.296 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.001 -12.164 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.244 -10.443 0.894 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.234 -10.979 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.642 -13.169 4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.750 -13.340 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.018 -13.694 2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.972 -11.300 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.646 -11.770 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.038 -10.116 2.883 1.00 0.00 H new ATOM 663 N GLY A 39 -3.585 -9.874 -0.262 1.00 0.00 N ATOM 664 CA GLY A 39 -4.338 -8.632 -0.216 1.00 0.00 C ATOM 665 C GLY A 39 -5.285 -8.588 0.968 1.00 0.00 C ATOM 666 O GLY A 39 -5.588 -7.520 1.496 1.00 0.00 O ATOM 0 H GLY A 39 -3.714 -10.424 -1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.647 -7.791 -0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.906 -8.517 -1.139 1.00 0.00 H new ATOM 670 N HIS A 40 -5.744 -9.760 1.399 1.00 0.00 N ATOM 671 CA HIS A 40 -6.647 -9.849 2.541 1.00 0.00 C ATOM 672 C HIS A 40 -5.996 -9.246 3.784 1.00 0.00 C ATOM 673 O HIS A 40 -6.681 -8.752 4.679 1.00 0.00 O ATOM 674 CB HIS A 40 -7.029 -11.307 2.806 1.00 0.00 C ATOM 675 CG HIS A 40 -5.855 -12.195 3.075 1.00 0.00 C ATOM 676 ND1 HIS A 40 -5.281 -12.999 2.113 1.00 0.00 N ATOM 677 CD2 HIS A 40 -5.143 -12.403 4.210 1.00 0.00 C ATOM 678 CE1 HIS A 40 -4.269 -13.663 2.642 1.00 0.00 C ATOM 679 NE2 HIS A 40 -4.164 -13.319 3.912 1.00 0.00 N ATOM 0 H HIS A 40 -5.506 -10.657 0.976 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.550 -9.285 2.309 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.707 -11.347 3.659 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.576 -11.693 1.946 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.314 -11.936 5.169 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.635 -14.367 2.124 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.468 -13.676 4.567 1.00 0.00 H new ATOM 688 N ILE A 41 -4.666 -9.288 3.827 1.00 0.00 N ATOM 689 CA ILE A 41 -3.920 -8.741 4.951 1.00 0.00 C ATOM 690 C ILE A 41 -3.980 -7.210 4.932 1.00 0.00 C ATOM 691 O ILE A 41 -3.968 -6.562 5.977 1.00 0.00 O ATOM 692 CB ILE A 41 -2.443 -9.243 4.929 1.00 0.00 C ATOM 693 CG1 ILE A 41 -1.855 -9.249 6.339 1.00 0.00 C ATOM 694 CG2 ILE A 41 -1.559 -8.425 3.986 1.00 0.00 C ATOM 695 CD1 ILE A 41 -2.624 -10.130 7.297 1.00 0.00 C ATOM 0 H ILE A 41 -4.085 -9.696 3.094 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.378 -9.091 5.876 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.462 -10.263 4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.820 -9.588 6.293 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.840 -8.230 6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.542 -8.817 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.950 -8.492 2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.554 -7.383 4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.157 -10.092 8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.653 -9.777 7.370 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.617 -11.157 6.932 1.00 0.00 H new ATOM 707 N ILE A 42 -4.039 -6.649 3.725 1.00 0.00 N ATOM 708 CA ILE A 42 -4.093 -5.205 3.545 1.00 0.00 C ATOM 709 C ILE A 42 -5.529 -4.724 3.344 1.00 0.00 C ATOM 710 O ILE A 42 -6.475 -5.509 3.404 1.00 0.00 O ATOM 711 CB ILE A 42 -3.222 -4.756 2.334 1.00 0.00 C ATOM 712 CG1 ILE A 42 -3.875 -5.093 0.990 1.00 0.00 C ATOM 713 CG2 ILE A 42 -1.854 -5.400 2.397 1.00 0.00 C ATOM 714 CD1 ILE A 42 -3.095 -4.583 -0.203 1.00 0.00 C ATOM 0 H ILE A 42 -4.050 -7.180 2.854 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.695 -4.755 4.454 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.127 -3.672 2.402 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.983 -6.175 0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.879 -4.669 0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.259 -5.075 1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.355 -5.105 3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.961 -6.484 2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.614 -4.857 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.009 -3.498 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.099 -5.026 -0.203 1.00 0.00 H new ATOM 726 N SER A 43 -5.669 -3.435 3.067 1.00 0.00 N ATOM 727 CA SER A 43 -6.974 -2.848 2.811 1.00 0.00 C ATOM 728 C SER A 43 -7.150 -2.685 1.308 1.00 0.00 C ATOM 729 O SER A 43 -6.949 -1.600 0.761 1.00 0.00 O ATOM 730 CB SER A 43 -7.108 -1.495 3.513 1.00 0.00 C ATOM 731 OG SER A 43 -8.467 -1.113 3.631 1.00 0.00 O ATOM 0 H SER A 43 -4.892 -2.776 3.014 1.00 0.00 H new ATOM 0 HA SER A 43 -7.750 -3.504 3.205 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.655 -1.549 4.503 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.561 -0.736 2.954 1.00 0.00 H new ATOM 0 HG SER A 43 -8.525 -0.246 4.084 1.00 0.00 H new ATOM 737 N VAL A 44 -7.499 -3.780 0.643 1.00 0.00 N ATOM 738 CA VAL A 44 -7.669 -3.766 -0.806 1.00 0.00 C ATOM 739 C VAL A 44 -9.099 -3.404 -1.182 1.00 0.00 C ATOM 740 O VAL A 44 -10.031 -4.167 -0.925 1.00 0.00 O ATOM 741 CB VAL A 44 -7.319 -5.126 -1.471 1.00 0.00 C ATOM 742 CG1 VAL A 44 -6.885 -4.906 -2.906 1.00 0.00 C ATOM 743 CG2 VAL A 44 -6.230 -5.886 -0.725 1.00 0.00 C ATOM 0 H VAL A 44 -7.669 -4.685 1.081 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.973 -3.013 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.223 -5.734 -1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.642 -5.865 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.694 -4.433 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.006 -4.261 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.028 -6.827 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.321 -5.286 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.561 -6.090 0.293 1.00 0.00 H new ATOM 753 N SER A 45 -9.268 -2.240 -1.798 1.00 0.00 N ATOM 754 CA SER A 45 -10.588 -1.787 -2.213 1.00 0.00 C ATOM 755 C SER A 45 -10.857 -2.177 -3.661 1.00 0.00 C ATOM 756 O SER A 45 -10.552 -1.424 -4.585 1.00 0.00 O ATOM 757 CB SER A 45 -10.707 -0.271 -2.048 1.00 0.00 C ATOM 758 OG SER A 45 -12.049 0.155 -2.194 1.00 0.00 O ATOM 0 H SER A 45 -8.510 -1.595 -2.020 1.00 0.00 H new ATOM 0 HA SER A 45 -11.331 -2.270 -1.578 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.335 0.021 -1.066 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.081 0.228 -2.788 1.00 0.00 H new ATOM 0 HG SER A 45 -12.097 1.127 -2.082 1.00 0.00 H new ATOM 764 N SER A 46 -11.429 -3.362 -3.851 1.00 0.00 N ATOM 765 CA SER A 46 -11.741 -3.855 -5.188 1.00 0.00 C ATOM 766 C SER A 46 -12.875 -4.873 -5.142 1.00 0.00 C ATOM 767 O SER A 46 -13.545 -5.057 -6.180 1.00 0.00 O ATOM 768 CB SER A 46 -10.500 -4.484 -5.824 1.00 0.00 C ATOM 769 OG SER A 46 -10.448 -4.216 -7.214 1.00 0.00 O ATOM 770 OXT SER A 46 -13.084 -5.478 -4.070 1.00 0.00 O ATOM 0 H SER A 46 -11.686 -3.998 -3.096 1.00 0.00 H new ATOM 0 HA SER A 46 -12.062 -3.008 -5.795 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.603 -4.095 -5.342 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.509 -5.561 -5.658 1.00 0.00 H new ATOM 0 HG SER A 46 -9.645 -4.627 -7.597 1.00 0.00 H new TER 776 SER A 46