USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 736 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 NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 GLN : amide:sc= 1.22 K(o=1.2,f=-0.051) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.656 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 43:sc= 0.724 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.225 K(o=-0.22,f=-0.99!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -1.47! C(o=-1.5!,f=-3.3!) USER MOD Single : A 35 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.34) USER MOD Single : A 36 ASN : amide:sc= 0.052 X(o=0.052,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0.316 (180deg=0.309) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= -2.32! (180deg=-2.32!) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0.815 (180deg=0.794) USER MOD Single : A 50 THR OG1 : rot -55:sc= -0.142 USER MOD Single : A 55 TYR OH : rot 180:sc= 0.113 USER MOD Single : A 56 HIS : no HE2:sc= -9.81! C(o=-9.8!,f=-12!) USER MOD Single : A 64 SER OG : rot -88:sc= 1.2 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.2) USER MOD Single : A 80 GLN : amide:sc= -1.31 K(o=-1.3,f=-1.8) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -123:sc= 0.0216 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 37:sc= 0.35 USER MOD Single : A 97 SER OG : rot 39:sc= 0.949 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.509 21.443 41.636 1.00 0.00 N ATOM 2 CA GLY A 1 -19.358 21.533 40.756 1.00 0.00 C ATOM 3 C GLY A 1 -19.728 21.348 39.298 1.00 0.00 C ATOM 4 O GLY A 1 -19.989 22.319 38.588 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.204 21.576 42.621 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.197 22.181 41.384 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.952 20.507 41.534 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.880 22.504 40.886 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.627 20.777 41.041 1.00 0.00 H new ATOM 8 N SER A 2 -19.748 20.097 38.848 1.00 0.00 N ATOM 9 CA SER A 2 -20.083 19.787 37.463 1.00 0.00 C ATOM 10 C SER A 2 -19.374 20.741 36.507 1.00 0.00 C ATOM 11 O SER A 2 -19.963 21.217 35.537 1.00 0.00 O ATOM 12 CB SER A 2 -21.596 19.867 37.252 1.00 0.00 C ATOM 13 OG SER A 2 -22.077 21.178 37.493 1.00 0.00 O ATOM 0 H SER A 2 -19.536 19.282 39.423 1.00 0.00 H new ATOM 0 HA SER A 2 -19.747 18.772 37.252 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.840 19.569 36.232 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.097 19.165 37.918 1.00 0.00 H new ATOM 0 HG SER A 2 -21.321 21.800 37.541 1.00 0.00 H new ATOM 19 N SER A 3 -18.104 21.016 36.788 1.00 0.00 N ATOM 20 CA SER A 3 -17.314 21.916 35.956 1.00 0.00 C ATOM 21 C SER A 3 -17.430 21.536 34.483 1.00 0.00 C ATOM 22 O SER A 3 -17.916 20.458 34.145 1.00 0.00 O ATOM 23 CB SER A 3 -15.847 21.888 36.389 1.00 0.00 C ATOM 24 OG SER A 3 -15.255 20.633 36.103 1.00 0.00 O ATOM 0 H SER A 3 -17.600 20.628 37.586 1.00 0.00 H new ATOM 0 HA SER A 3 -17.703 22.926 36.084 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.298 22.678 35.876 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.776 22.092 37.457 1.00 0.00 H new ATOM 0 HG SER A 3 -14.317 20.641 36.388 1.00 0.00 H new ATOM 30 N GLY A 4 -16.978 22.431 33.610 1.00 0.00 N ATOM 31 CA GLY A 4 -17.039 22.172 32.183 1.00 0.00 C ATOM 32 C GLY A 4 -16.427 23.292 31.364 1.00 0.00 C ATOM 33 O GLY A 4 -17.005 24.372 31.248 1.00 0.00 O ATOM 0 H GLY A 4 -16.571 23.331 33.865 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.519 21.239 31.963 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.079 22.035 31.886 1.00 0.00 H new ATOM 37 N SER A 5 -15.253 23.034 30.796 1.00 0.00 N ATOM 38 CA SER A 5 -14.560 24.030 29.988 1.00 0.00 C ATOM 39 C SER A 5 -14.805 23.790 28.502 1.00 0.00 C ATOM 40 O SER A 5 -14.910 22.648 28.055 1.00 0.00 O ATOM 41 CB SER A 5 -13.058 23.999 30.281 1.00 0.00 C ATOM 42 OG SER A 5 -12.451 22.853 29.710 1.00 0.00 O ATOM 0 H SER A 5 -14.762 22.144 30.881 1.00 0.00 H new ATOM 0 HA SER A 5 -14.954 25.012 30.249 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.588 24.899 29.884 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.894 24.002 31.359 1.00 0.00 H new ATOM 0 HG SER A 5 -11.492 22.857 29.910 1.00 0.00 H new ATOM 48 N SER A 6 -14.896 24.876 27.741 1.00 0.00 N ATOM 49 CA SER A 6 -15.132 24.786 26.305 1.00 0.00 C ATOM 50 C SER A 6 -14.135 23.835 25.649 1.00 0.00 C ATOM 51 O SER A 6 -13.006 24.216 25.343 1.00 0.00 O ATOM 52 CB SER A 6 -15.033 26.170 25.662 1.00 0.00 C ATOM 53 OG SER A 6 -13.770 26.761 25.917 1.00 0.00 O ATOM 0 H SER A 6 -14.810 25.829 28.095 1.00 0.00 H new ATOM 0 HA SER A 6 -16.137 24.394 26.151 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.189 26.087 24.586 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.824 26.812 26.050 1.00 0.00 H new ATOM 0 HG SER A 6 -13.066 26.088 25.809 1.00 0.00 H new ATOM 59 N GLY A 7 -14.563 22.594 25.436 1.00 0.00 N ATOM 60 CA GLY A 7 -13.697 21.607 24.818 1.00 0.00 C ATOM 61 C GLY A 7 -13.395 21.928 23.367 1.00 0.00 C ATOM 62 O GLY A 7 -14.186 22.587 22.691 1.00 0.00 O ATOM 0 H GLY A 7 -15.493 22.255 25.680 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.762 21.548 25.376 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.168 20.626 24.880 1.00 0.00 H new ATOM 66 N LEU A 8 -12.247 21.463 22.887 1.00 0.00 N ATOM 67 CA LEU A 8 -11.841 21.705 21.507 1.00 0.00 C ATOM 68 C LEU A 8 -12.898 21.198 20.531 1.00 0.00 C ATOM 69 O LEU A 8 -13.350 20.058 20.629 1.00 0.00 O ATOM 70 CB LEU A 8 -10.500 21.026 21.222 1.00 0.00 C ATOM 71 CG LEU A 8 -9.251 21.859 21.514 1.00 0.00 C ATOM 72 CD1 LEU A 8 -8.932 21.839 23.001 1.00 0.00 C ATOM 73 CD2 LEU A 8 -8.067 21.346 20.706 1.00 0.00 C ATOM 0 H LEU A 8 -11.581 20.916 23.433 1.00 0.00 H new ATOM 0 HA LEU A 8 -11.733 22.781 21.370 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.447 20.110 21.810 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.480 20.733 20.172 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.448 22.890 21.219 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.040 22.437 23.190 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.772 22.253 23.559 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.755 20.812 23.321 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.187 21.950 20.926 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.869 20.307 20.970 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.296 21.413 19.642 1.00 0.00 H new ATOM 85 N GLU A 9 -13.285 22.052 19.589 1.00 0.00 N ATOM 86 CA GLU A 9 -14.288 21.689 18.595 1.00 0.00 C ATOM 87 C GLU A 9 -13.643 20.986 17.404 1.00 0.00 C ATOM 88 O GLU A 9 -12.548 21.348 16.975 1.00 0.00 O ATOM 89 CB GLU A 9 -15.041 22.933 18.120 1.00 0.00 C ATOM 90 CG GLU A 9 -16.375 22.622 17.461 1.00 0.00 C ATOM 91 CD GLU A 9 -17.171 21.578 18.219 1.00 0.00 C ATOM 92 OE1 GLU A 9 -17.420 21.783 19.426 1.00 0.00 O ATOM 93 OE2 GLU A 9 -17.544 20.556 17.607 1.00 0.00 O ATOM 0 H GLU A 9 -12.919 22.999 19.493 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.994 21.002 19.062 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.211 23.592 18.972 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.415 23.479 17.414 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.962 23.538 17.387 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.200 22.272 16.443 1.00 0.00 H new ATOM 100 N GLU A 10 -14.331 19.979 16.875 1.00 0.00 N ATOM 101 CA GLU A 10 -13.825 19.225 15.734 1.00 0.00 C ATOM 102 C GLU A 10 -14.371 19.786 14.424 1.00 0.00 C ATOM 103 O GLU A 10 -15.557 20.098 14.317 1.00 0.00 O ATOM 104 CB GLU A 10 -14.201 17.747 15.864 1.00 0.00 C ATOM 105 CG GLU A 10 -13.275 16.962 16.778 1.00 0.00 C ATOM 106 CD GLU A 10 -13.649 15.495 16.866 1.00 0.00 C ATOM 107 OE1 GLU A 10 -14.858 15.186 16.814 1.00 0.00 O ATOM 108 OE2 GLU A 10 -12.732 14.656 16.987 1.00 0.00 O ATOM 0 H GLU A 10 -15.239 19.667 17.218 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.739 19.318 15.724 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.221 17.672 16.242 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.194 17.290 14.874 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.251 17.051 16.415 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.299 17.400 17.776 1.00 0.00 H new ATOM 115 N PHE A 11 -13.497 19.913 13.432 1.00 0.00 N ATOM 116 CA PHE A 11 -13.890 20.438 12.129 1.00 0.00 C ATOM 117 C PHE A 11 -13.233 19.646 11.003 1.00 0.00 C ATOM 118 O PHE A 11 -12.351 18.820 11.240 1.00 0.00 O ATOM 119 CB PHE A 11 -13.511 21.916 12.017 1.00 0.00 C ATOM 120 CG PHE A 11 -12.043 22.175 12.202 1.00 0.00 C ATOM 121 CD1 PHE A 11 -11.152 21.956 11.164 1.00 0.00 C ATOM 122 CD2 PHE A 11 -11.555 22.638 13.413 1.00 0.00 C ATOM 123 CE1 PHE A 11 -9.800 22.193 11.332 1.00 0.00 C ATOM 124 CE2 PHE A 11 -10.205 22.876 13.587 1.00 0.00 C ATOM 125 CZ PHE A 11 -9.327 22.655 12.545 1.00 0.00 C ATOM 0 H PHE A 11 -12.512 19.660 13.505 1.00 0.00 H new ATOM 0 HA PHE A 11 -14.971 20.339 12.036 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.817 22.288 11.039 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.068 22.483 12.762 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -11.517 21.596 10.213 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.238 22.815 14.231 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.115 22.017 10.516 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.837 23.234 14.537 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.272 22.843 12.678 1.00 0.00 H new ATOM 135 N LYS A 12 -13.670 19.903 9.774 1.00 0.00 N ATOM 136 CA LYS A 12 -13.125 19.216 8.609 1.00 0.00 C ATOM 137 C LYS A 12 -12.282 20.165 7.763 1.00 0.00 C ATOM 138 O LYS A 12 -12.245 21.368 8.014 1.00 0.00 O ATOM 139 CB LYS A 12 -14.257 18.631 7.762 1.00 0.00 C ATOM 140 CG LYS A 12 -14.906 17.403 8.378 1.00 0.00 C ATOM 141 CD LYS A 12 -15.903 17.784 9.460 1.00 0.00 C ATOM 142 CE LYS A 12 -17.023 16.760 9.571 1.00 0.00 C ATOM 143 NZ LYS A 12 -18.238 17.334 10.211 1.00 0.00 N ATOM 0 H LYS A 12 -14.400 20.582 9.559 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.486 18.406 8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.018 19.396 7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.866 18.370 6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -15.412 16.829 7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -14.137 16.757 8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.389 17.867 10.417 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.325 18.764 9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.276 16.390 8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.677 15.905 10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -18.978 16.605 10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -18.003 17.664 11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -18.584 18.134 9.644 1.00 0.00 H new ATOM 157 N ASN A 13 -11.606 19.613 6.760 1.00 0.00 N ATOM 158 CA ASN A 13 -10.763 20.411 5.877 1.00 0.00 C ATOM 159 C ASN A 13 -10.835 19.894 4.443 1.00 0.00 C ATOM 160 O ASN A 13 -11.501 18.897 4.165 1.00 0.00 O ATOM 161 CB ASN A 13 -9.314 20.392 6.366 1.00 0.00 C ATOM 162 CG ASN A 13 -9.161 21.003 7.745 1.00 0.00 C ATOM 163 OD1 ASN A 13 -8.946 20.296 8.730 1.00 0.00 O ATOM 164 ND2 ASN A 13 -9.271 22.325 7.822 1.00 0.00 N ATOM 0 H ASN A 13 -11.626 18.617 6.539 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.131 21.437 5.894 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.953 19.364 6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.688 20.936 5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.177 22.793 8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.450 22.872 6.980 1.00 0.00 H new ATOM 171 N SER A 14 -10.143 20.578 3.538 1.00 0.00 N ATOM 172 CA SER A 14 -10.130 20.190 2.132 1.00 0.00 C ATOM 173 C SER A 14 -8.783 19.585 1.748 1.00 0.00 C ATOM 174 O SER A 14 -7.786 19.770 2.445 1.00 0.00 O ATOM 175 CB SER A 14 -10.431 21.400 1.245 1.00 0.00 C ATOM 176 OG SER A 14 -9.300 22.248 1.139 1.00 0.00 O ATOM 0 H SER A 14 -9.584 21.404 3.753 1.00 0.00 H new ATOM 0 HA SER A 14 -10.903 19.436 1.981 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.731 21.062 0.253 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.271 21.958 1.659 1.00 0.00 H new ATOM 0 HG SER A 14 -9.517 23.013 0.566 1.00 0.00 H new ATOM 182 N SER A 15 -8.763 18.862 0.633 1.00 0.00 N ATOM 183 CA SER A 15 -7.541 18.225 0.157 1.00 0.00 C ATOM 184 C SER A 15 -6.430 19.255 -0.031 1.00 0.00 C ATOM 185 O SER A 15 -6.337 19.903 -1.074 1.00 0.00 O ATOM 186 CB SER A 15 -7.801 17.494 -1.161 1.00 0.00 C ATOM 187 OG SER A 15 -6.857 16.458 -1.365 1.00 0.00 O ATOM 0 H SER A 15 -9.579 18.703 0.042 1.00 0.00 H new ATOM 0 HA SER A 15 -7.221 17.502 0.908 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.808 17.077 -1.156 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.753 18.202 -1.988 1.00 0.00 H new ATOM 0 HG SER A 15 -7.046 16.005 -2.213 1.00 0.00 H new ATOM 193 N LYS A 16 -5.589 19.400 0.987 1.00 0.00 N ATOM 194 CA LYS A 16 -4.483 20.349 0.937 1.00 0.00 C ATOM 195 C LYS A 16 -3.219 19.744 1.542 1.00 0.00 C ATOM 196 O LYS A 16 -3.121 19.574 2.758 1.00 0.00 O ATOM 197 CB LYS A 16 -4.852 21.634 1.680 1.00 0.00 C ATOM 198 CG LYS A 16 -5.192 21.414 3.144 1.00 0.00 C ATOM 199 CD LYS A 16 -6.078 22.525 3.683 1.00 0.00 C ATOM 200 CE LYS A 16 -5.314 23.834 3.812 1.00 0.00 C ATOM 201 NZ LYS A 16 -6.228 24.993 4.010 1.00 0.00 N ATOM 0 H LYS A 16 -5.652 18.872 1.857 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.287 20.585 -0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.021 22.336 1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.704 22.099 1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.697 20.455 3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.273 21.364 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.932 22.665 3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.474 22.236 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.622 23.769 4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.714 23.994 2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.669 25.866 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.872 25.071 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.783 24.853 4.878 1.00 0.00 H new ATOM 215 N LEU A 17 -2.255 19.424 0.687 1.00 0.00 N ATOM 216 CA LEU A 17 -0.996 18.840 1.138 1.00 0.00 C ATOM 217 C LEU A 17 0.146 19.843 1.010 1.00 0.00 C ATOM 218 O LEU A 17 0.858 19.864 0.006 1.00 0.00 O ATOM 219 CB LEU A 17 -0.677 17.581 0.329 1.00 0.00 C ATOM 220 CG LEU A 17 0.131 16.504 1.055 1.00 0.00 C ATOM 221 CD1 LEU A 17 1.331 17.121 1.758 1.00 0.00 C ATOM 222 CD2 LEU A 17 -0.746 15.758 2.049 1.00 0.00 C ATOM 0 H LEU A 17 -2.320 19.559 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.104 18.572 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.616 17.140 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.129 17.877 -0.565 1.00 0.00 H new ATOM 0 HG LEU A 17 0.495 15.790 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.894 16.340 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.972 17.609 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.988 17.856 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.154 14.996 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.141 16.459 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.573 15.283 1.520 1.00 0.00 H new ATOM 234 N VAL A 18 0.317 20.671 2.035 1.00 0.00 N ATOM 235 CA VAL A 18 1.374 21.675 2.040 1.00 0.00 C ATOM 236 C VAL A 18 2.730 21.043 2.336 1.00 0.00 C ATOM 237 O VAL A 18 2.836 20.131 3.156 1.00 0.00 O ATOM 238 CB VAL A 18 1.097 22.778 3.078 1.00 0.00 C ATOM 239 CG1 VAL A 18 1.024 22.188 4.478 1.00 0.00 C ATOM 240 CG2 VAL A 18 2.163 23.861 3.002 1.00 0.00 C ATOM 0 H VAL A 18 -0.264 20.666 2.874 1.00 0.00 H new ATOM 0 HA VAL A 18 1.392 22.120 1.045 1.00 0.00 H new ATOM 0 HB VAL A 18 0.133 23.233 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.828 22.983 5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.221 21.452 4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.971 21.706 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.951 24.632 3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.141 23.424 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.161 24.304 2.006 1.00 0.00 H new ATOM 250 N ALA A 19 3.765 21.534 1.662 1.00 0.00 N ATOM 251 CA ALA A 19 5.115 21.019 1.855 1.00 0.00 C ATOM 252 C ALA A 19 6.140 21.880 1.124 1.00 0.00 C ATOM 253 O ALA A 19 5.782 22.745 0.325 1.00 0.00 O ATOM 254 CB ALA A 19 5.202 19.575 1.381 1.00 0.00 C ATOM 0 H ALA A 19 3.694 22.287 0.978 1.00 0.00 H new ATOM 0 HA ALA A 19 5.342 21.055 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.216 19.203 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.503 18.962 1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.950 19.524 0.322 1.00 0.00 H new ATOM 260 N ALA A 20 7.416 21.637 1.403 1.00 0.00 N ATOM 261 CA ALA A 20 8.493 22.389 0.772 1.00 0.00 C ATOM 262 C ALA A 20 9.847 21.739 1.037 1.00 0.00 C ATOM 263 O ALA A 20 9.947 20.783 1.806 1.00 0.00 O ATOM 264 CB ALA A 20 8.492 23.829 1.265 1.00 0.00 C ATOM 0 H ALA A 20 7.729 20.925 2.062 1.00 0.00 H new ATOM 0 HA ALA A 20 8.322 22.385 -0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.302 24.378 0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.539 24.297 1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.634 23.844 2.346 1.00 0.00 H new ATOM 270 N ALA A 21 10.886 22.262 0.394 1.00 0.00 N ATOM 271 CA ALA A 21 12.233 21.733 0.562 1.00 0.00 C ATOM 272 C ALA A 21 12.736 21.952 1.985 1.00 0.00 C ATOM 273 O ALA A 21 13.388 22.955 2.274 1.00 0.00 O ATOM 274 CB ALA A 21 13.181 22.375 -0.440 1.00 0.00 C ATOM 0 H ALA A 21 10.820 23.052 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 21 12.200 20.659 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.184 21.970 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.839 22.162 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.200 23.453 -0.283 1.00 0.00 H new ATOM 280 N GLU A 22 12.428 21.009 2.869 1.00 0.00 N ATOM 281 CA GLU A 22 12.848 21.102 4.262 1.00 0.00 C ATOM 282 C GLU A 22 13.620 19.854 4.682 1.00 0.00 C ATOM 283 O GLU A 22 13.094 18.742 4.644 1.00 0.00 O ATOM 284 CB GLU A 22 11.633 21.293 5.173 1.00 0.00 C ATOM 285 CG GLU A 22 11.993 21.717 6.587 1.00 0.00 C ATOM 286 CD GLU A 22 10.818 22.319 7.333 1.00 0.00 C ATOM 287 OE1 GLU A 22 10.624 23.549 7.239 1.00 0.00 O ATOM 288 OE2 GLU A 22 10.093 21.560 8.010 1.00 0.00 O ATOM 0 H GLU A 22 11.889 20.172 2.646 1.00 0.00 H new ATOM 0 HA GLU A 22 13.506 21.966 4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.975 22.043 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.070 20.360 5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.364 20.853 7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.805 22.443 6.549 1.00 0.00 H new ATOM 295 N LYS A 23 14.873 20.048 5.082 1.00 0.00 N ATOM 296 CA LYS A 23 15.719 18.941 5.510 1.00 0.00 C ATOM 297 C LYS A 23 15.094 18.202 6.689 1.00 0.00 C ATOM 298 O LYS A 23 15.350 17.016 6.895 1.00 0.00 O ATOM 299 CB LYS A 23 17.109 19.454 5.895 1.00 0.00 C ATOM 300 CG LYS A 23 17.115 20.312 7.148 1.00 0.00 C ATOM 301 CD LYS A 23 17.133 21.793 6.809 1.00 0.00 C ATOM 302 CE LYS A 23 18.554 22.309 6.639 1.00 0.00 C ATOM 303 NZ LYS A 23 19.174 22.668 7.944 1.00 0.00 N ATOM 0 H LYS A 23 15.324 20.962 5.118 1.00 0.00 H new ATOM 0 HA LYS A 23 15.813 18.245 4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 23 17.773 18.602 6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 23 17.516 20.033 5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.234 20.086 7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.987 20.066 7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.570 21.964 5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.633 22.354 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.160 21.549 6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.547 23.183 5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 20.141 23.015 7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.610 23.412 8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.204 21.828 8.557 1.00 0.00 H new ATOM 317 N GLU A 24 14.272 18.910 7.457 1.00 0.00 N ATOM 318 CA GLU A 24 13.611 18.319 8.615 1.00 0.00 C ATOM 319 C GLU A 24 12.436 17.446 8.183 1.00 0.00 C ATOM 320 O GLU A 24 11.470 17.933 7.595 1.00 0.00 O ATOM 321 CB GLU A 24 13.123 19.414 9.566 1.00 0.00 C ATOM 322 CG GLU A 24 14.174 19.861 10.568 1.00 0.00 C ATOM 323 CD GLU A 24 13.569 20.511 11.797 1.00 0.00 C ATOM 324 OE1 GLU A 24 12.458 21.071 11.685 1.00 0.00 O ATOM 325 OE2 GLU A 24 14.205 20.460 12.871 1.00 0.00 O ATOM 0 H GLU A 24 14.048 19.892 7.299 1.00 0.00 H new ATOM 0 HA GLU A 24 14.336 17.693 9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.801 20.275 8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.249 19.051 10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.769 19.000 10.873 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.853 20.564 10.087 1.00 0.00 H new ATOM 332 N ARG A 25 12.527 16.153 8.478 1.00 0.00 N ATOM 333 CA ARG A 25 11.474 15.212 8.119 1.00 0.00 C ATOM 334 C ARG A 25 10.100 15.771 8.475 1.00 0.00 C ATOM 335 O ARG A 25 9.812 16.045 9.641 1.00 0.00 O ATOM 336 CB ARG A 25 11.692 13.875 8.830 1.00 0.00 C ATOM 337 CG ARG A 25 11.155 12.680 8.059 1.00 0.00 C ATOM 338 CD ARG A 25 12.014 12.369 6.844 1.00 0.00 C ATOM 339 NE ARG A 25 13.090 11.434 7.159 1.00 0.00 N ATOM 340 CZ ARG A 25 14.143 11.233 6.375 1.00 0.00 C ATOM 341 NH1 ARG A 25 14.261 11.899 5.234 1.00 0.00 N ATOM 342 NH2 ARG A 25 15.081 10.364 6.730 1.00 0.00 N ATOM 0 H ARG A 25 13.319 15.734 8.965 1.00 0.00 H new ATOM 0 HA ARG A 25 11.515 15.054 7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.759 13.735 9.003 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.212 13.911 9.808 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.120 11.809 8.714 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.132 12.881 7.741 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.389 11.950 6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.440 13.294 6.455 1.00 0.00 H new ATOM 0 HE ARG A 25 13.030 10.906 8.029 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.542 12.567 4.957 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.071 11.743 4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.994 9.849 7.606 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.889 10.211 6.127 1.00 0.00 H new ATOM 356 N LEU A 26 9.255 15.940 7.464 1.00 0.00 N ATOM 357 CA LEU A 26 7.911 16.467 7.669 1.00 0.00 C ATOM 358 C LEU A 26 7.271 15.859 8.913 1.00 0.00 C ATOM 359 O LEU A 26 6.877 14.693 8.913 1.00 0.00 O ATOM 360 CB LEU A 26 7.039 16.187 6.444 1.00 0.00 C ATOM 361 CG LEU A 26 7.209 17.145 5.265 1.00 0.00 C ATOM 362 CD1 LEU A 26 6.930 16.431 3.952 1.00 0.00 C ATOM 363 CD2 LEU A 26 6.296 18.352 5.422 1.00 0.00 C ATOM 0 H LEU A 26 9.477 15.719 6.493 1.00 0.00 H new ATOM 0 HA LEU A 26 7.989 17.545 7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.249 15.175 6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.994 16.207 6.755 1.00 0.00 H new ATOM 0 HG LEU A 26 8.241 17.495 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.056 17.129 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.625 15.600 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.908 16.052 3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.431 19.023 4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.258 18.021 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.544 18.878 6.344 1.00 0.00 H new ATOM 375 N ASP A 27 7.169 16.657 9.970 1.00 0.00 N ATOM 376 CA ASP A 27 6.574 16.198 11.220 1.00 0.00 C ATOM 377 C ASP A 27 5.051 16.241 11.144 1.00 0.00 C ATOM 378 O ASP A 27 4.386 16.722 12.062 1.00 0.00 O ATOM 379 CB ASP A 27 7.063 17.057 12.387 1.00 0.00 C ATOM 380 CG ASP A 27 8.552 17.334 12.318 1.00 0.00 C ATOM 381 OD1 ASP A 27 9.342 16.407 12.597 1.00 0.00 O ATOM 382 OD2 ASP A 27 8.928 18.477 11.985 1.00 0.00 O ATOM 0 H ASP A 27 7.491 17.625 9.986 1.00 0.00 H new ATOM 0 HA ASP A 27 6.883 15.166 11.384 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.520 18.002 12.391 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.833 16.554 13.326 1.00 0.00 H new ATOM 387 N LYS A 28 4.504 15.735 10.044 1.00 0.00 N ATOM 388 CA LYS A 28 3.060 15.714 9.847 1.00 0.00 C ATOM 389 C LYS A 28 2.531 14.283 9.850 1.00 0.00 C ATOM 390 O LYS A 28 1.715 13.914 10.695 1.00 0.00 O ATOM 391 CB LYS A 28 2.694 16.401 8.530 1.00 0.00 C ATOM 392 CG LYS A 28 2.599 17.913 8.639 1.00 0.00 C ATOM 393 CD LYS A 28 1.318 18.343 9.334 1.00 0.00 C ATOM 394 CE LYS A 28 0.120 18.252 8.401 1.00 0.00 C ATOM 395 NZ LYS A 28 -1.048 19.015 8.922 1.00 0.00 N ATOM 0 H LYS A 28 5.040 15.334 9.275 1.00 0.00 H new ATOM 0 HA LYS A 28 2.598 16.255 10.673 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.440 16.145 7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.739 16.010 8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.459 18.294 9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.639 18.354 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.148 17.714 10.208 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.424 19.367 9.693 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.395 18.635 7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.159 17.207 8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.844 18.928 8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.327 18.633 9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.790 20.017 9.024 1.00 0.00 H new ATOM 409 N HIS A 29 3.001 13.481 8.900 1.00 0.00 N ATOM 410 CA HIS A 29 2.577 12.090 8.795 1.00 0.00 C ATOM 411 C HIS A 29 3.777 11.169 8.593 1.00 0.00 C ATOM 412 O HIS A 29 3.969 10.610 7.513 1.00 0.00 O ATOM 413 CB HIS A 29 1.591 11.921 7.638 1.00 0.00 C ATOM 414 CG HIS A 29 2.203 12.150 6.291 1.00 0.00 C ATOM 415 ND1 HIS A 29 2.641 13.386 5.863 1.00 0.00 N ATOM 416 CD2 HIS A 29 2.451 11.292 5.274 1.00 0.00 C ATOM 417 CE1 HIS A 29 3.131 13.278 4.641 1.00 0.00 C ATOM 418 NE2 HIS A 29 3.027 12.018 4.260 1.00 0.00 N ATOM 0 H HIS A 29 3.676 13.771 8.192 1.00 0.00 H new ATOM 0 HA HIS A 29 2.083 11.816 9.727 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.173 10.915 7.672 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.762 12.615 7.774 1.00 0.00 H new ATOM 0 HD1 HIS A 29 2.594 14.249 6.405 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.236 10.234 5.262 1.00 0.00 H new ATOM 0 HE1 HIS A 29 3.546 14.083 4.053 1.00 0.00 H new ATOM 426 N LEU A 30 4.581 11.017 9.639 1.00 0.00 N ATOM 427 CA LEU A 30 5.764 10.165 9.578 1.00 0.00 C ATOM 428 C LEU A 30 5.379 8.692 9.674 1.00 0.00 C ATOM 429 O LEU A 30 5.917 7.852 8.954 1.00 0.00 O ATOM 430 CB LEU A 30 6.735 10.525 10.703 1.00 0.00 C ATOM 431 CG LEU A 30 7.322 11.936 10.658 1.00 0.00 C ATOM 432 CD1 LEU A 30 8.072 12.244 11.945 1.00 0.00 C ATOM 433 CD2 LEU A 30 8.239 12.094 9.454 1.00 0.00 C ATOM 0 H LEU A 30 4.436 11.473 10.540 1.00 0.00 H new ATOM 0 HA LEU A 30 6.253 10.332 8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.220 10.398 11.655 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.558 9.810 10.688 1.00 0.00 H new ATOM 0 HG LEU A 30 6.501 12.647 10.561 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.483 13.252 11.894 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.388 12.173 12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.884 11.528 12.073 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.648 13.104 9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.054 11.374 9.521 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.673 11.917 8.540 1.00 0.00 H new ATOM 445 N GLY A 31 4.443 8.387 10.567 1.00 0.00 N ATOM 446 CA GLY A 31 4.000 7.016 10.739 1.00 0.00 C ATOM 447 C GLY A 31 5.119 6.015 10.527 1.00 0.00 C ATOM 448 O GLY A 31 6.058 5.947 11.320 1.00 0.00 O ATOM 0 H GLY A 31 3.983 9.065 11.175 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.591 6.892 11.742 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.192 6.808 10.037 1.00 0.00 H new ATOM 452 N ILE A 32 5.018 5.236 9.455 1.00 0.00 N ATOM 453 CA ILE A 32 6.028 4.233 9.142 1.00 0.00 C ATOM 454 C ILE A 32 6.240 4.118 7.636 1.00 0.00 C ATOM 455 O ILE A 32 5.297 4.156 6.847 1.00 0.00 O ATOM 456 CB ILE A 32 5.643 2.851 9.702 1.00 0.00 C ATOM 457 CG1 ILE A 32 5.545 2.904 11.228 1.00 0.00 C ATOM 458 CG2 ILE A 32 6.656 1.803 9.267 1.00 0.00 C ATOM 459 CD1 ILE A 32 4.541 1.930 11.803 1.00 0.00 C ATOM 0 H ILE A 32 4.247 5.280 8.789 1.00 0.00 H new ATOM 0 HA ILE A 32 6.954 4.561 9.613 1.00 0.00 H new ATOM 0 HB ILE A 32 4.667 2.573 9.304 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.526 2.696 11.654 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.273 3.915 11.532 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.371 0.831 9.670 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.681 1.751 8.179 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.644 2.075 9.640 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.525 2.023 12.889 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.551 2.151 11.405 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.823 0.913 11.530 1.00 0.00 H new ATOM 471 N PRO A 33 7.509 3.972 7.227 1.00 0.00 N ATOM 472 CA PRO A 33 7.875 3.846 5.813 1.00 0.00 C ATOM 473 C PRO A 33 7.426 2.517 5.215 1.00 0.00 C ATOM 474 O PRO A 33 7.201 1.544 5.935 1.00 0.00 O ATOM 475 CB PRO A 33 9.404 3.934 5.833 1.00 0.00 C ATOM 476 CG PRO A 33 9.791 3.475 7.197 1.00 0.00 C ATOM 477 CD PRO A 33 8.684 3.918 8.113 1.00 0.00 C ATOM 0 HA PRO A 33 7.398 4.610 5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.847 3.303 5.062 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.745 4.952 5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.911 2.392 7.225 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.744 3.909 7.499 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.536 3.216 8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.896 4.890 8.559 1.00 0.00 H new ATOM 485 N CYS A 34 7.297 2.483 3.892 1.00 0.00 N ATOM 486 CA CYS A 34 6.875 1.274 3.196 1.00 0.00 C ATOM 487 C CYS A 34 7.917 0.169 3.343 1.00 0.00 C ATOM 488 O CYS A 34 9.117 0.436 3.394 1.00 0.00 O ATOM 489 CB CYS A 34 6.636 1.570 1.714 1.00 0.00 C ATOM 490 SG CYS A 34 5.732 0.259 0.830 1.00 0.00 S ATOM 0 H CYS A 34 7.479 3.279 3.281 1.00 0.00 H new ATOM 0 HA CYS A 34 5.943 0.933 3.647 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.079 2.503 1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.598 1.726 1.226 1.00 0.00 H new ATOM 495 N ASN A 35 7.449 -1.073 3.411 1.00 0.00 N ATOM 496 CA ASN A 35 8.340 -2.219 3.552 1.00 0.00 C ATOM 497 C ASN A 35 8.670 -2.823 2.191 1.00 0.00 C ATOM 498 O ASN A 35 9.486 -3.738 2.088 1.00 0.00 O ATOM 499 CB ASN A 35 7.702 -3.280 4.452 1.00 0.00 C ATOM 500 CG ASN A 35 8.734 -4.083 5.220 1.00 0.00 C ATOM 501 OD1 ASN A 35 9.282 -3.618 6.220 1.00 0.00 O ATOM 502 ND2 ASN A 35 9.005 -5.297 4.754 1.00 0.00 N ATOM 0 H ASN A 35 6.458 -1.312 3.371 1.00 0.00 H new ATOM 0 HA ASN A 35 9.266 -1.873 4.010 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.025 -2.796 5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.100 -3.955 3.843 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.691 -5.884 5.228 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.527 -5.642 3.922 1.00 0.00 H new ATOM 509 N ASN A 36 8.029 -2.304 1.148 1.00 0.00 N ATOM 510 CA ASN A 36 8.254 -2.792 -0.207 1.00 0.00 C ATOM 511 C ASN A 36 9.119 -1.817 -1.000 1.00 0.00 C ATOM 512 O ASN A 36 10.287 -2.091 -1.278 1.00 0.00 O ATOM 513 CB ASN A 36 6.918 -3.005 -0.923 1.00 0.00 C ATOM 514 CG ASN A 36 7.038 -3.955 -2.100 1.00 0.00 C ATOM 515 OD1 ASN A 36 7.252 -5.154 -1.924 1.00 0.00 O ATOM 516 ND2 ASN A 36 6.899 -3.421 -3.307 1.00 0.00 N ATOM 0 H ASN A 36 7.350 -1.546 1.216 1.00 0.00 H new ATOM 0 HA ASN A 36 8.779 -3.745 -0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.188 -3.398 -0.215 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.539 -2.045 -1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.969 -4.010 -4.137 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.722 -2.421 -3.405 1.00 0.00 H new ATOM 523 N CYS A 37 8.538 -0.678 -1.360 1.00 0.00 N ATOM 524 CA CYS A 37 9.254 0.339 -2.120 1.00 0.00 C ATOM 525 C CYS A 37 10.148 1.173 -1.206 1.00 0.00 C ATOM 526 O CYS A 37 11.098 1.810 -1.661 1.00 0.00 O ATOM 527 CB CYS A 37 8.266 1.249 -2.853 1.00 0.00 C ATOM 528 SG CYS A 37 7.281 2.316 -1.753 1.00 0.00 S ATOM 0 H CYS A 37 7.572 -0.436 -1.137 1.00 0.00 H new ATOM 0 HA CYS A 37 9.883 -0.167 -2.852 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.817 1.877 -3.553 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.590 0.632 -3.444 1.00 0.00 H new ATOM 533 N LYS A 38 9.836 1.164 0.085 1.00 0.00 N ATOM 534 CA LYS A 38 10.610 1.917 1.065 1.00 0.00 C ATOM 535 C LYS A 38 10.459 3.418 0.840 1.00 0.00 C ATOM 536 O LYS A 38 11.434 4.166 0.912 1.00 0.00 O ATOM 537 CB LYS A 38 12.087 1.525 0.988 1.00 0.00 C ATOM 538 CG LYS A 38 12.331 0.035 1.157 1.00 0.00 C ATOM 539 CD LYS A 38 11.879 -0.452 2.524 1.00 0.00 C ATOM 540 CE LYS A 38 12.715 -1.630 3.000 1.00 0.00 C ATOM 541 NZ LYS A 38 12.486 -2.844 2.169 1.00 0.00 N ATOM 0 H LYS A 38 9.052 0.643 0.478 1.00 0.00 H new ATOM 0 HA LYS A 38 10.227 1.676 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.489 1.844 0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.638 2.064 1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.798 -0.513 0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.392 -0.178 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.953 0.363 3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.830 -0.744 2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.771 -1.362 2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.473 -1.851 4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.021 -3.642 2.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.472 -3.075 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.804 -2.663 1.196 1.00 0.00 H new ATOM 555 N GLN A 39 9.232 3.851 0.570 1.00 0.00 N ATOM 556 CA GLN A 39 8.954 5.263 0.336 1.00 0.00 C ATOM 557 C GLN A 39 8.762 6.006 1.654 1.00 0.00 C ATOM 558 O GLN A 39 7.868 5.683 2.436 1.00 0.00 O ATOM 559 CB GLN A 39 7.710 5.422 -0.539 1.00 0.00 C ATOM 560 CG GLN A 39 7.451 6.856 -0.973 1.00 0.00 C ATOM 561 CD GLN A 39 6.696 6.941 -2.285 1.00 0.00 C ATOM 562 OE1 GLN A 39 7.292 7.122 -3.347 1.00 0.00 O ATOM 563 NE2 GLN A 39 5.376 6.809 -2.219 1.00 0.00 N ATOM 0 H GLN A 39 8.414 3.244 0.508 1.00 0.00 H new ATOM 0 HA GLN A 39 9.811 5.695 -0.182 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.817 4.797 -1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.842 5.054 0.008 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.883 7.369 -0.197 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.402 7.379 -1.071 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.923 6.660 -1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.816 6.856 -3.070 1.00 0.00 H new ATOM 572 N PHE A 40 9.608 7.003 1.895 1.00 0.00 N ATOM 573 CA PHE A 40 9.532 7.791 3.119 1.00 0.00 C ATOM 574 C PHE A 40 9.922 9.243 2.857 1.00 0.00 C ATOM 575 O PHE A 40 10.977 9.536 2.294 1.00 0.00 O ATOM 576 CB PHE A 40 10.442 7.192 4.193 1.00 0.00 C ATOM 577 CG PHE A 40 9.912 7.357 5.589 1.00 0.00 C ATOM 578 CD1 PHE A 40 8.609 6.999 5.896 1.00 0.00 C ATOM 579 CD2 PHE A 40 10.716 7.871 6.593 1.00 0.00 C ATOM 580 CE1 PHE A 40 8.118 7.150 7.179 1.00 0.00 C ATOM 581 CE2 PHE A 40 10.230 8.023 7.879 1.00 0.00 C ATOM 582 CZ PHE A 40 8.929 7.663 8.171 1.00 0.00 C ATOM 0 H PHE A 40 10.354 7.284 1.258 1.00 0.00 H new ATOM 0 HA PHE A 40 8.501 7.769 3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.581 6.130 3.989 1.00 0.00 H new ATOM 0 HB3 PHE A 40 11.424 7.660 4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.970 6.597 5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.733 8.156 6.369 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.101 6.867 7.405 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.867 8.423 8.654 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.547 7.783 9.174 1.00 0.00 H new ATOM 592 N PRO A 41 9.051 10.174 3.273 1.00 0.00 N ATOM 593 CA PRO A 41 7.792 9.836 3.944 1.00 0.00 C ATOM 594 C PRO A 41 6.790 9.180 3.000 1.00 0.00 C ATOM 595 O PRO A 41 6.947 9.233 1.780 1.00 0.00 O ATOM 596 CB PRO A 41 7.269 11.193 4.421 1.00 0.00 C ATOM 597 CG PRO A 41 7.880 12.183 3.490 1.00 0.00 C ATOM 598 CD PRO A 41 9.228 11.628 3.122 1.00 0.00 C ATOM 0 HA PRO A 41 7.939 9.114 4.748 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.180 11.233 4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.559 11.389 5.453 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.260 12.320 2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.976 13.159 3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.508 11.895 2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.012 12.008 3.778 1.00 0.00 H new ATOM 606 N ILE A 42 5.761 8.564 3.572 1.00 0.00 N ATOM 607 CA ILE A 42 4.733 7.900 2.781 1.00 0.00 C ATOM 608 C ILE A 42 3.581 8.850 2.468 1.00 0.00 C ATOM 609 O ILE A 42 2.560 8.848 3.155 1.00 0.00 O ATOM 610 CB ILE A 42 4.179 6.659 3.505 1.00 0.00 C ATOM 611 CG1 ILE A 42 5.215 5.534 3.499 1.00 0.00 C ATOM 612 CG2 ILE A 42 2.884 6.198 2.851 1.00 0.00 C ATOM 613 CD1 ILE A 42 4.704 4.239 4.092 1.00 0.00 C ATOM 0 H ILE A 42 5.617 8.511 4.580 1.00 0.00 H new ATOM 0 HA ILE A 42 5.205 7.586 1.850 1.00 0.00 H new ATOM 0 HB ILE A 42 3.965 6.925 4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.537 5.353 2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.094 5.858 4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.505 5.320 3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.146 6.998 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.073 5.945 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.491 3.486 4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.409 4.405 5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.843 3.892 3.521 1.00 0.00 H new ATOM 625 N GLU A 43 3.753 9.658 1.427 1.00 0.00 N ATOM 626 CA GLU A 43 2.726 10.611 1.023 1.00 0.00 C ATOM 627 C GLU A 43 1.340 9.975 1.079 1.00 0.00 C ATOM 628 O GLU A 43 0.412 10.533 1.664 1.00 0.00 O ATOM 629 CB GLU A 43 3.006 11.128 -0.390 1.00 0.00 C ATOM 630 CG GLU A 43 4.263 11.976 -0.490 1.00 0.00 C ATOM 631 CD GLU A 43 5.517 11.141 -0.657 1.00 0.00 C ATOM 632 OE1 GLU A 43 5.429 10.054 -1.268 1.00 0.00 O ATOM 633 OE2 GLU A 43 6.586 11.572 -0.178 1.00 0.00 O ATOM 0 H GLU A 43 4.593 9.672 0.848 1.00 0.00 H new ATOM 0 HA GLU A 43 2.750 11.449 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.096 10.279 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.153 11.716 -0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.170 12.659 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.356 12.589 0.407 1.00 0.00 H new ATOM 640 N GLY A 44 1.208 8.803 0.466 1.00 0.00 N ATOM 641 CA GLY A 44 -0.067 8.110 0.457 1.00 0.00 C ATOM 642 C GLY A 44 -0.445 7.574 1.823 1.00 0.00 C ATOM 643 O GLY A 44 0.244 7.828 2.811 1.00 0.00 O ATOM 0 H GLY A 44 1.961 8.321 -0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.844 8.790 0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.024 7.285 -0.254 1.00 0.00 H new ATOM 647 N LYS A 45 -1.545 6.831 1.881 1.00 0.00 N ATOM 648 CA LYS A 45 -2.016 6.257 3.137 1.00 0.00 C ATOM 649 C LYS A 45 -0.968 5.325 3.735 1.00 0.00 C ATOM 650 O LYS A 45 0.028 4.999 3.089 1.00 0.00 O ATOM 651 CB LYS A 45 -3.325 5.496 2.914 1.00 0.00 C ATOM 652 CG LYS A 45 -4.565 6.354 3.090 1.00 0.00 C ATOM 653 CD LYS A 45 -5.068 6.321 4.524 1.00 0.00 C ATOM 654 CE LYS A 45 -6.276 7.225 4.712 1.00 0.00 C ATOM 655 NZ LYS A 45 -7.269 6.635 5.653 1.00 0.00 N ATOM 0 H LYS A 45 -2.128 6.612 1.073 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.193 7.073 3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.324 5.076 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.371 4.658 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.340 7.382 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.350 6.002 2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.332 5.299 4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.270 6.633 5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.949 8.194 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.751 7.402 3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.078 7.281 5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.600 5.722 5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.824 6.489 6.581 1.00 0.00 H new ATOM 669 N CYS A 46 -1.200 4.897 4.972 1.00 0.00 N ATOM 670 CA CYS A 46 -0.276 4.001 5.657 1.00 0.00 C ATOM 671 C CYS A 46 -0.930 2.650 5.929 1.00 0.00 C ATOM 672 O CYS A 46 -1.852 2.547 6.738 1.00 0.00 O ATOM 673 CB CYS A 46 0.194 4.627 6.971 1.00 0.00 C ATOM 674 SG CYS A 46 1.211 6.107 6.760 1.00 0.00 S ATOM 0 H CYS A 46 -2.020 5.156 5.520 1.00 0.00 H new ATOM 0 HA CYS A 46 0.586 3.843 5.009 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.679 4.881 7.573 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.763 3.885 7.532 1.00 0.00 H new ATOM 0 HG CYS A 46 1.558 6.565 7.926 1.00 0.00 H new ATOM 680 N TYR A 47 -0.448 1.618 5.247 1.00 0.00 N ATOM 681 CA TYR A 47 -0.988 0.273 5.412 1.00 0.00 C ATOM 682 C TYR A 47 -0.096 -0.565 6.322 1.00 0.00 C ATOM 683 O TYR A 47 1.104 -0.314 6.438 1.00 0.00 O ATOM 684 CB TYR A 47 -1.134 -0.411 4.051 1.00 0.00 C ATOM 685 CG TYR A 47 -2.065 0.314 3.106 1.00 0.00 C ATOM 686 CD1 TYR A 47 -1.812 1.624 2.718 1.00 0.00 C ATOM 687 CD2 TYR A 47 -3.197 -0.312 2.599 1.00 0.00 C ATOM 688 CE1 TYR A 47 -2.660 2.290 1.855 1.00 0.00 C ATOM 689 CE2 TYR A 47 -4.050 0.346 1.734 1.00 0.00 C ATOM 690 CZ TYR A 47 -3.778 1.647 1.366 1.00 0.00 C ATOM 691 OH TYR A 47 -4.624 2.307 0.504 1.00 0.00 O ATOM 0 H TYR A 47 0.316 1.686 4.574 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.971 0.358 5.876 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.151 -0.493 3.588 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.501 -1.426 4.201 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.937 2.130 3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.414 -1.330 2.886 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.449 3.309 1.565 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.925 -0.156 1.348 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.362 1.714 0.252 1.00 0.00 H new ATOM 701 N LYS A 48 -0.691 -1.563 6.967 1.00 0.00 N ATOM 702 CA LYS A 48 0.048 -2.441 7.866 1.00 0.00 C ATOM 703 C LYS A 48 -0.483 -3.869 7.790 1.00 0.00 C ATOM 704 O LYS A 48 -1.694 -4.094 7.819 1.00 0.00 O ATOM 705 CB LYS A 48 -0.045 -1.927 9.305 1.00 0.00 C ATOM 706 CG LYS A 48 1.059 -2.447 10.209 1.00 0.00 C ATOM 707 CD LYS A 48 1.198 -1.601 11.463 1.00 0.00 C ATOM 708 CE LYS A 48 0.022 -1.803 12.406 1.00 0.00 C ATOM 709 NZ LYS A 48 -0.262 -0.582 13.208 1.00 0.00 N ATOM 0 H LYS A 48 -1.683 -1.784 6.884 1.00 0.00 H new ATOM 0 HA LYS A 48 1.092 -2.443 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.012 -0.838 9.296 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.010 -2.213 9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.847 -3.479 10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.004 -2.451 9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.125 -1.858 11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.268 -0.549 11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.863 -2.073 11.830 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.233 -2.637 13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.130 -0.725 13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.534 -0.397 13.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.388 0.230 12.571 1.00 0.00 H new ATOM 723 N CYS A 49 0.429 -4.830 7.694 1.00 0.00 N ATOM 724 CA CYS A 49 0.052 -6.237 7.615 1.00 0.00 C ATOM 725 C CYS A 49 -0.239 -6.801 9.003 1.00 0.00 C ATOM 726 O CYS A 49 0.597 -6.726 9.905 1.00 0.00 O ATOM 727 CB CYS A 49 1.164 -7.047 6.947 1.00 0.00 C ATOM 728 SG CYS A 49 0.722 -8.782 6.612 1.00 0.00 S ATOM 0 H CYS A 49 1.435 -4.661 7.669 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.854 -6.311 7.014 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.436 -6.565 6.008 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.048 -7.025 7.584 1.00 0.00 H new ATOM 733 N THR A 50 -1.431 -7.366 9.168 1.00 0.00 N ATOM 734 CA THR A 50 -1.834 -7.942 10.445 1.00 0.00 C ATOM 735 C THR A 50 -1.410 -9.402 10.547 1.00 0.00 C ATOM 736 O THR A 50 -1.841 -10.121 11.449 1.00 0.00 O ATOM 737 CB THR A 50 -3.358 -7.845 10.649 1.00 0.00 C ATOM 738 OG1 THR A 50 -4.020 -8.854 9.878 1.00 0.00 O ATOM 739 CG2 THR A 50 -3.872 -6.472 10.244 1.00 0.00 C ATOM 0 H THR A 50 -2.134 -7.437 8.433 1.00 0.00 H new ATOM 0 HA THR A 50 -1.334 -7.366 11.224 1.00 0.00 H new ATOM 0 HB THR A 50 -3.571 -7.998 11.707 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.748 -8.780 8.940 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.950 -6.428 10.397 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.387 -5.708 10.852 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.647 -6.295 9.192 1.00 0.00 H new ATOM 747 N GLU A 51 -0.563 -9.835 9.618 1.00 0.00 N ATOM 748 CA GLU A 51 -0.082 -11.211 9.606 1.00 0.00 C ATOM 749 C GLU A 51 1.440 -11.256 9.699 1.00 0.00 C ATOM 750 O GLU A 51 2.015 -12.232 10.182 1.00 0.00 O ATOM 751 CB GLU A 51 -0.547 -11.926 8.335 1.00 0.00 C ATOM 752 CG GLU A 51 -2.059 -12.010 8.203 1.00 0.00 C ATOM 753 CD GLU A 51 -2.509 -13.228 7.420 1.00 0.00 C ATOM 754 OE1 GLU A 51 -2.003 -14.334 7.702 1.00 0.00 O ATOM 755 OE2 GLU A 51 -3.366 -13.075 6.525 1.00 0.00 O ATOM 0 H GLU A 51 -0.196 -9.253 8.865 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.497 -11.722 10.475 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.143 -11.405 7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.133 -12.934 8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.506 -12.036 9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.428 -11.110 7.711 1.00 0.00 H new ATOM 762 N CYS A 52 2.087 -10.193 9.234 1.00 0.00 N ATOM 763 CA CYS A 52 3.543 -10.110 9.263 1.00 0.00 C ATOM 764 C CYS A 52 4.016 -9.292 10.461 1.00 0.00 C ATOM 765 O CYS A 52 3.216 -8.885 11.303 1.00 0.00 O ATOM 766 CB CYS A 52 4.065 -9.487 7.967 1.00 0.00 C ATOM 767 SG CYS A 52 3.940 -10.578 6.514 1.00 0.00 S ATOM 0 H CYS A 52 1.626 -9.376 8.832 1.00 0.00 H new ATOM 0 HA CYS A 52 3.939 -11.121 9.356 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.510 -8.570 7.768 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.108 -9.204 8.107 1.00 0.00 H new ATOM 772 N ILE A 53 5.322 -9.055 10.529 1.00 0.00 N ATOM 773 CA ILE A 53 5.902 -8.284 11.622 1.00 0.00 C ATOM 774 C ILE A 53 6.571 -7.015 11.105 1.00 0.00 C ATOM 775 O ILE A 53 7.371 -7.060 10.171 1.00 0.00 O ATOM 776 CB ILE A 53 6.935 -9.113 12.408 1.00 0.00 C ATOM 777 CG1 ILE A 53 6.331 -10.453 12.832 1.00 0.00 C ATOM 778 CG2 ILE A 53 7.423 -8.337 13.622 1.00 0.00 C ATOM 779 CD1 ILE A 53 5.369 -10.340 13.994 1.00 0.00 C ATOM 0 H ILE A 53 5.998 -9.386 9.841 1.00 0.00 H new ATOM 0 HA ILE A 53 5.083 -8.014 12.288 1.00 0.00 H new ATOM 0 HB ILE A 53 7.789 -9.311 11.760 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.811 -10.894 11.981 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.136 -11.136 13.102 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.152 -8.936 14.167 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.888 -7.407 13.296 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.579 -8.112 14.273 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.979 -11.327 14.241 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.890 -9.929 14.859 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.544 -9.682 13.721 1.00 0.00 H new ATOM 791 N GLU A 54 6.240 -5.885 11.721 1.00 0.00 N ATOM 792 CA GLU A 54 6.810 -4.603 11.324 1.00 0.00 C ATOM 793 C GLU A 54 6.682 -4.394 9.818 1.00 0.00 C ATOM 794 O GLU A 54 7.589 -3.867 9.174 1.00 0.00 O ATOM 795 CB GLU A 54 8.281 -4.524 11.737 1.00 0.00 C ATOM 796 CG GLU A 54 8.492 -4.532 13.242 1.00 0.00 C ATOM 797 CD GLU A 54 8.426 -3.144 13.848 1.00 0.00 C ATOM 798 OE1 GLU A 54 8.844 -2.181 13.172 1.00 0.00 O ATOM 799 OE2 GLU A 54 7.954 -3.021 14.998 1.00 0.00 O ATOM 0 H GLU A 54 5.580 -5.831 12.497 1.00 0.00 H new ATOM 0 HA GLU A 54 6.254 -3.815 11.832 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.818 -5.365 11.299 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.718 -3.616 11.322 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.736 -5.164 13.708 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.461 -4.977 13.467 1.00 0.00 H new ATOM 806 N TYR A 55 5.549 -4.812 9.263 1.00 0.00 N ATOM 807 CA TYR A 55 5.303 -4.674 7.833 1.00 0.00 C ATOM 808 C TYR A 55 4.270 -3.585 7.561 1.00 0.00 C ATOM 809 O TYR A 55 3.199 -3.562 8.169 1.00 0.00 O ATOM 810 CB TYR A 55 4.825 -6.003 7.246 1.00 0.00 C ATOM 811 CG TYR A 55 5.189 -6.188 5.790 1.00 0.00 C ATOM 812 CD1 TYR A 55 4.378 -5.683 4.781 1.00 0.00 C ATOM 813 CD2 TYR A 55 6.344 -6.867 5.423 1.00 0.00 C ATOM 814 CE1 TYR A 55 4.706 -5.850 3.450 1.00 0.00 C ATOM 815 CE2 TYR A 55 6.681 -7.038 4.094 1.00 0.00 C ATOM 816 CZ TYR A 55 5.859 -6.528 3.111 1.00 0.00 C ATOM 817 OH TYR A 55 6.190 -6.696 1.786 1.00 0.00 O ATOM 0 H TYR A 55 4.787 -5.249 9.782 1.00 0.00 H new ATOM 0 HA TYR A 55 6.240 -4.389 7.355 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.253 -6.821 7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.742 -6.069 7.352 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.475 -5.151 5.042 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.990 -7.268 6.190 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.063 -5.452 2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.583 -7.568 3.826 1.00 0.00 H new ATOM 0 HH TYR A 55 7.031 -7.194 1.720 1.00 0.00 H new ATOM 827 N HIS A 56 4.599 -2.682 6.642 1.00 0.00 N ATOM 828 CA HIS A 56 3.700 -1.590 6.287 1.00 0.00 C ATOM 829 C HIS A 56 3.846 -1.224 4.813 1.00 0.00 C ATOM 830 O HIS A 56 4.958 -1.065 4.309 1.00 0.00 O ATOM 831 CB HIS A 56 3.982 -0.366 7.159 1.00 0.00 C ATOM 832 CG HIS A 56 4.236 -0.700 8.596 1.00 0.00 C ATOM 833 ND1 HIS A 56 5.388 -1.318 9.034 1.00 0.00 N ATOM 834 CD2 HIS A 56 3.477 -0.497 9.699 1.00 0.00 C ATOM 835 CE1 HIS A 56 5.327 -1.482 10.343 1.00 0.00 C ATOM 836 NE2 HIS A 56 4.178 -0.992 10.772 1.00 0.00 N ATOM 0 H HIS A 56 5.481 -2.685 6.130 1.00 0.00 H new ATOM 0 HA HIS A 56 2.677 -1.923 6.461 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.847 0.163 6.759 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.134 0.317 7.098 1.00 0.00 H new ATOM 0 HD1 HIS A 56 6.166 -1.604 8.440 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.502 -0.033 9.730 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.088 -1.939 10.958 1.00 0.00 H new ATOM 844 N LEU A 57 2.716 -1.092 4.127 1.00 0.00 N ATOM 845 CA LEU A 57 2.717 -0.745 2.710 1.00 0.00 C ATOM 846 C LEU A 57 2.101 0.632 2.486 1.00 0.00 C ATOM 847 O LEU A 57 1.456 1.188 3.375 1.00 0.00 O ATOM 848 CB LEU A 57 1.950 -1.797 1.906 1.00 0.00 C ATOM 849 CG LEU A 57 2.744 -3.035 1.489 1.00 0.00 C ATOM 850 CD1 LEU A 57 1.901 -3.935 0.600 1.00 0.00 C ATOM 851 CD2 LEU A 57 4.028 -2.630 0.778 1.00 0.00 C ATOM 0 H LEU A 57 1.787 -1.220 4.529 1.00 0.00 H new ATOM 0 HA LEU A 57 3.752 -0.719 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.093 -2.122 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.557 -1.322 1.007 1.00 0.00 H new ATOM 0 HG LEU A 57 3.010 -3.593 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.483 -4.811 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.011 -4.252 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.604 -3.388 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.581 -3.524 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.784 -2.050 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.640 -2.026 1.448 1.00 0.00 H new ATOM 863 N CYS A 58 2.303 1.177 1.290 1.00 0.00 N ATOM 864 CA CYS A 58 1.766 2.488 0.947 1.00 0.00 C ATOM 865 C CYS A 58 0.658 2.367 -0.095 1.00 0.00 C ATOM 866 O CYS A 58 0.688 1.478 -0.945 1.00 0.00 O ATOM 867 CB CYS A 58 2.879 3.396 0.421 1.00 0.00 C ATOM 868 SG CYS A 58 3.708 2.767 -1.074 1.00 0.00 S ATOM 0 H CYS A 58 2.835 0.730 0.543 1.00 0.00 H new ATOM 0 HA CYS A 58 1.344 2.928 1.851 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.460 4.379 0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.623 3.533 1.206 1.00 0.00 H new ATOM 873 N GLN A 59 -0.316 3.268 -0.022 1.00 0.00 N ATOM 874 CA GLN A 59 -1.433 3.261 -0.959 1.00 0.00 C ATOM 875 C GLN A 59 -0.975 2.835 -2.350 1.00 0.00 C ATOM 876 O GLN A 59 -1.728 2.212 -3.097 1.00 0.00 O ATOM 877 CB GLN A 59 -2.080 4.646 -1.025 1.00 0.00 C ATOM 878 CG GLN A 59 -2.980 4.841 -2.235 1.00 0.00 C ATOM 879 CD GLN A 59 -4.298 4.105 -2.105 1.00 0.00 C ATOM 880 OE1 GLN A 59 -5.278 4.647 -1.593 1.00 0.00 O ATOM 881 NE2 GLN A 59 -4.331 2.861 -2.571 1.00 0.00 N ATOM 0 H GLN A 59 -0.354 4.011 0.675 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.169 2.540 -0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.663 4.809 -0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.296 5.403 -1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.174 5.905 -2.371 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.461 4.495 -3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.496 2.450 -2.988 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.192 2.317 -2.512 1.00 0.00 H new ATOM 890 N GLU A 60 0.264 3.175 -2.690 1.00 0.00 N ATOM 891 CA GLU A 60 0.821 2.827 -3.992 1.00 0.00 C ATOM 892 C GLU A 60 1.029 1.320 -4.110 1.00 0.00 C ATOM 893 O GLU A 60 0.339 0.645 -4.875 1.00 0.00 O ATOM 894 CB GLU A 60 2.149 3.555 -4.214 1.00 0.00 C ATOM 895 CG GLU A 60 2.428 3.882 -5.671 1.00 0.00 C ATOM 896 CD GLU A 60 3.796 4.502 -5.878 1.00 0.00 C ATOM 897 OE1 GLU A 60 3.908 5.741 -5.772 1.00 0.00 O ATOM 898 OE2 GLU A 60 4.754 3.748 -6.147 1.00 0.00 O ATOM 0 H GLU A 60 0.901 3.691 -2.083 1.00 0.00 H new ATOM 0 HA GLU A 60 0.111 3.139 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.148 4.480 -3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.961 2.939 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.352 2.971 -6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.664 4.567 -6.039 1.00 0.00 H new ATOM 905 N CYS A 61 1.984 0.799 -3.348 1.00 0.00 N ATOM 906 CA CYS A 61 2.285 -0.628 -3.367 1.00 0.00 C ATOM 907 C CYS A 61 1.016 -1.454 -3.176 1.00 0.00 C ATOM 908 O CYS A 61 0.933 -2.597 -3.625 1.00 0.00 O ATOM 909 CB CYS A 61 3.298 -0.971 -2.273 1.00 0.00 C ATOM 910 SG CYS A 61 5.010 -0.488 -2.667 1.00 0.00 S ATOM 0 H CYS A 61 2.563 1.343 -2.709 1.00 0.00 H new ATOM 0 HA CYS A 61 2.713 -0.871 -4.340 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.997 -0.480 -1.347 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.268 -2.045 -2.089 1.00 0.00 H new ATOM 915 N PHE A 62 0.028 -0.866 -2.509 1.00 0.00 N ATOM 916 CA PHE A 62 -1.237 -1.546 -2.259 1.00 0.00 C ATOM 917 C PHE A 62 -2.028 -1.716 -3.552 1.00 0.00 C ATOM 918 O PHE A 62 -2.791 -2.670 -3.705 1.00 0.00 O ATOM 919 CB PHE A 62 -2.067 -0.765 -1.238 1.00 0.00 C ATOM 920 CG PHE A 62 -3.112 -1.598 -0.552 1.00 0.00 C ATOM 921 CD1 PHE A 62 -2.753 -2.526 0.413 1.00 0.00 C ATOM 922 CD2 PHE A 62 -4.452 -1.454 -0.872 1.00 0.00 C ATOM 923 CE1 PHE A 62 -3.712 -3.294 1.047 1.00 0.00 C ATOM 924 CE2 PHE A 62 -5.415 -2.219 -0.241 1.00 0.00 C ATOM 925 CZ PHE A 62 -5.045 -3.141 0.718 1.00 0.00 C ATOM 0 H PHE A 62 0.080 0.080 -2.132 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.016 -2.535 -1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.400 -0.342 -0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.553 0.072 -1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.712 -2.651 0.673 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.748 -0.736 -1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.419 -4.013 1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.457 -2.096 -0.498 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.796 -3.741 1.210 1.00 0.00 H new ATOM 935 N ASP A 63 -1.841 -0.784 -4.480 1.00 0.00 N ATOM 936 CA ASP A 63 -2.536 -0.830 -5.761 1.00 0.00 C ATOM 937 C ASP A 63 -2.181 -2.101 -6.527 1.00 0.00 C ATOM 938 O ASP A 63 -2.967 -2.586 -7.341 1.00 0.00 O ATOM 939 CB ASP A 63 -2.186 0.400 -6.600 1.00 0.00 C ATOM 940 CG ASP A 63 -3.053 0.523 -7.837 1.00 0.00 C ATOM 941 OD1 ASP A 63 -4.253 0.188 -7.757 1.00 0.00 O ATOM 942 OD2 ASP A 63 -2.531 0.955 -8.886 1.00 0.00 O ATOM 0 H ASP A 63 -1.214 0.013 -4.369 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.608 -0.833 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.299 1.296 -5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.139 0.347 -6.898 1.00 0.00 H new ATOM 947 N SER A 64 -0.993 -2.634 -6.261 1.00 0.00 N ATOM 948 CA SER A 64 -0.532 -3.845 -6.928 1.00 0.00 C ATOM 949 C SER A 64 -1.275 -5.071 -6.404 1.00 0.00 C ATOM 950 O SER A 64 -1.284 -6.124 -7.041 1.00 0.00 O ATOM 951 CB SER A 64 0.974 -4.023 -6.726 1.00 0.00 C ATOM 952 OG SER A 64 1.262 -4.484 -5.417 1.00 0.00 O ATOM 0 H SER A 64 -0.332 -2.246 -5.588 1.00 0.00 H new ATOM 0 HA SER A 64 -0.739 -3.744 -7.993 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.361 -4.732 -7.458 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.482 -3.075 -6.901 1.00 0.00 H new ATOM 0 HG SER A 64 1.365 -3.717 -4.815 1.00 0.00 H new ATOM 958 N TYR A 65 -1.897 -4.924 -5.240 1.00 0.00 N ATOM 959 CA TYR A 65 -2.641 -6.019 -4.628 1.00 0.00 C ATOM 960 C TYR A 65 -1.787 -7.280 -4.548 1.00 0.00 C ATOM 961 O TYR A 65 -2.274 -8.388 -4.777 1.00 0.00 O ATOM 962 CB TYR A 65 -3.917 -6.302 -5.422 1.00 0.00 C ATOM 963 CG TYR A 65 -5.079 -5.415 -5.036 1.00 0.00 C ATOM 964 CD1 TYR A 65 -5.057 -4.052 -5.304 1.00 0.00 C ATOM 965 CD2 TYR A 65 -6.200 -5.940 -4.404 1.00 0.00 C ATOM 966 CE1 TYR A 65 -6.116 -3.238 -4.953 1.00 0.00 C ATOM 967 CE2 TYR A 65 -7.264 -5.134 -4.051 1.00 0.00 C ATOM 968 CZ TYR A 65 -7.218 -3.783 -4.327 1.00 0.00 C ATOM 969 OH TYR A 65 -8.275 -2.976 -3.976 1.00 0.00 O ATOM 0 H TYR A 65 -1.901 -4.058 -4.701 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.910 -5.721 -3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.710 -6.174 -6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.202 -7.344 -5.276 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.197 -3.622 -5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.240 -6.997 -4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.082 -2.180 -5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.128 -5.559 -3.561 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.970 -3.516 -3.545 1.00 0.00 H new ATOM 979 N CYS A 66 -0.511 -7.104 -4.222 1.00 0.00 N ATOM 980 CA CYS A 66 0.412 -8.227 -4.112 1.00 0.00 C ATOM 981 C CYS A 66 0.371 -8.830 -2.712 1.00 0.00 C ATOM 982 O CYS A 66 0.033 -10.002 -2.539 1.00 0.00 O ATOM 983 CB CYS A 66 1.836 -7.779 -4.445 1.00 0.00 C ATOM 984 SG CYS A 66 2.968 -9.136 -4.826 1.00 0.00 S ATOM 0 H CYS A 66 -0.093 -6.194 -4.029 1.00 0.00 H new ATOM 0 HA CYS A 66 0.102 -8.990 -4.826 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.802 -7.099 -5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.234 -7.214 -3.602 1.00 0.00 H new ATOM 0 HG CYS A 66 4.145 -8.656 -5.096 1.00 0.00 H new ATOM 990 N HIS A 67 0.717 -8.023 -1.714 1.00 0.00 N ATOM 991 CA HIS A 67 0.720 -8.477 -0.328 1.00 0.00 C ATOM 992 C HIS A 67 -0.704 -8.677 0.181 1.00 0.00 C ATOM 993 O HIS A 67 -0.918 -9.252 1.249 1.00 0.00 O ATOM 994 CB HIS A 67 1.455 -7.471 0.558 1.00 0.00 C ATOM 995 CG HIS A 67 2.133 -8.096 1.738 1.00 0.00 C ATOM 996 ND1 HIS A 67 3.463 -7.890 2.038 1.00 0.00 N ATOM 997 CD2 HIS A 67 1.657 -8.926 2.696 1.00 0.00 C ATOM 998 CE1 HIS A 67 3.776 -8.567 3.129 1.00 0.00 C ATOM 999 NE2 HIS A 67 2.698 -9.204 3.548 1.00 0.00 N ATOM 0 H HIS A 67 0.999 -7.051 -1.839 1.00 0.00 H new ATOM 0 HA HIS A 67 1.239 -9.434 -0.286 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.198 -6.946 -0.042 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.745 -6.723 0.911 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.105 -7.306 1.502 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.647 -9.300 2.775 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.748 -8.595 3.598 1.00 0.00 H new ATOM 1007 N LEU A 68 -1.675 -8.199 -0.589 1.00 0.00 N ATOM 1008 CA LEU A 68 -3.080 -8.324 -0.216 1.00 0.00 C ATOM 1009 C LEU A 68 -3.369 -9.708 0.358 1.00 0.00 C ATOM 1010 O LEU A 68 -4.321 -9.889 1.117 1.00 0.00 O ATOM 1011 CB LEU A 68 -3.975 -8.065 -1.429 1.00 0.00 C ATOM 1012 CG LEU A 68 -4.388 -6.611 -1.660 1.00 0.00 C ATOM 1013 CD1 LEU A 68 -5.694 -6.306 -0.942 1.00 0.00 C ATOM 1014 CD2 LEU A 68 -3.289 -5.665 -1.198 1.00 0.00 C ATOM 0 H LEU A 68 -1.515 -7.721 -1.476 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.295 -7.580 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.457 -8.421 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.878 -8.666 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.542 -6.462 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.972 -5.267 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.479 -6.961 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.568 -6.472 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.600 -4.635 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.103 -5.815 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.376 -5.867 -1.758 1.00 0.00 H new ATOM 1026 N SER A 69 -2.540 -10.680 -0.008 1.00 0.00 N ATOM 1027 CA SER A 69 -2.708 -12.047 0.469 1.00 0.00 C ATOM 1028 C SER A 69 -2.936 -12.072 1.977 1.00 0.00 C ATOM 1029 O SER A 69 -3.567 -12.989 2.506 1.00 0.00 O ATOM 1030 CB SER A 69 -1.480 -12.888 0.114 1.00 0.00 C ATOM 1031 OG SER A 69 -1.224 -13.864 1.110 1.00 0.00 O ATOM 0 H SER A 69 -1.745 -10.546 -0.633 1.00 0.00 H new ATOM 0 HA SER A 69 -3.584 -12.471 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.636 -13.377 -0.847 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.611 -12.240 0.004 1.00 0.00 H new ATOM 0 HG SER A 69 -0.435 -14.389 0.859 1.00 0.00 H new ATOM 1037 N HIS A 70 -2.419 -11.059 2.665 1.00 0.00 N ATOM 1038 CA HIS A 70 -2.567 -10.963 4.113 1.00 0.00 C ATOM 1039 C HIS A 70 -3.508 -9.823 4.489 1.00 0.00 C ATOM 1040 O HIS A 70 -3.607 -8.824 3.775 1.00 0.00 O ATOM 1041 CB HIS A 70 -1.204 -10.753 4.773 1.00 0.00 C ATOM 1042 CG HIS A 70 -0.313 -11.955 4.703 1.00 0.00 C ATOM 1043 ND1 HIS A 70 0.990 -11.954 5.154 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -0.545 -13.203 4.232 1.00 0.00 C ATOM 1045 CE1 HIS A 70 1.522 -13.148 4.963 1.00 0.00 C ATOM 1046 NE2 HIS A 70 0.610 -13.925 4.405 1.00 0.00 N ATOM 0 H HIS A 70 -1.894 -10.293 2.243 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.996 -11.898 4.472 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.703 -9.912 4.294 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.353 -10.482 5.818 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.467 -13.564 3.800 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.530 -13.439 5.219 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.743 -14.902 4.145 1.00 0.00 H new ATOM 1054 N THR A 71 -4.199 -9.978 5.614 1.00 0.00 N ATOM 1055 CA THR A 71 -5.133 -8.963 6.083 1.00 0.00 C ATOM 1056 C THR A 71 -4.403 -7.685 6.480 1.00 0.00 C ATOM 1057 O THR A 71 -3.814 -7.605 7.558 1.00 0.00 O ATOM 1058 CB THR A 71 -5.953 -9.468 7.286 1.00 0.00 C ATOM 1059 OG1 THR A 71 -6.444 -10.788 7.026 1.00 0.00 O ATOM 1060 CG2 THR A 71 -7.120 -8.535 7.575 1.00 0.00 C ATOM 0 H THR A 71 -4.129 -10.797 6.217 1.00 0.00 H new ATOM 0 HA THR A 71 -5.809 -8.749 5.255 1.00 0.00 H new ATOM 0 HB THR A 71 -5.300 -9.490 8.159 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.962 -11.102 7.796 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.684 -8.912 8.428 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.741 -7.538 7.802 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.771 -8.486 6.702 1.00 0.00 H new ATOM 1068 N PHE A 72 -4.447 -6.688 5.604 1.00 0.00 N ATOM 1069 CA PHE A 72 -3.789 -5.413 5.863 1.00 0.00 C ATOM 1070 C PHE A 72 -4.752 -4.427 6.519 1.00 0.00 C ATOM 1071 O PHE A 72 -5.952 -4.684 6.614 1.00 0.00 O ATOM 1072 CB PHE A 72 -3.245 -4.821 4.561 1.00 0.00 C ATOM 1073 CG PHE A 72 -1.844 -5.260 4.243 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -1.469 -6.586 4.387 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -0.901 -4.346 3.799 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -0.181 -6.993 4.095 1.00 0.00 C ATOM 1077 CE2 PHE A 72 0.388 -4.747 3.505 1.00 0.00 C ATOM 1078 CZ PHE A 72 0.749 -6.072 3.654 1.00 0.00 C ATOM 0 H PHE A 72 -4.932 -6.738 4.708 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.959 -5.594 6.547 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.902 -5.106 3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.270 -3.733 4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.192 -7.310 4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.177 -3.309 3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.098 -8.030 4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.113 -4.025 3.159 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.757 -6.387 3.426 1.00 0.00 H new ATOM 1088 N THR A 73 -4.216 -3.298 6.972 1.00 0.00 N ATOM 1089 CA THR A 73 -5.025 -2.274 7.621 1.00 0.00 C ATOM 1090 C THR A 73 -4.497 -0.878 7.312 1.00 0.00 C ATOM 1091 O THR A 73 -3.288 -0.644 7.322 1.00 0.00 O ATOM 1092 CB THR A 73 -5.061 -2.471 9.148 1.00 0.00 C ATOM 1093 OG1 THR A 73 -3.747 -2.768 9.635 1.00 0.00 O ATOM 1094 CG2 THR A 73 -6.013 -3.595 9.527 1.00 0.00 C ATOM 0 H THR A 73 -3.224 -3.070 6.901 1.00 0.00 H new ATOM 0 HA THR A 73 -6.036 -2.372 7.226 1.00 0.00 H new ATOM 0 HB THR A 73 -5.417 -1.546 9.603 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.778 -2.890 10.607 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.021 -3.715 10.610 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.018 -3.353 9.181 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.683 -4.524 9.062 1.00 0.00 H new ATOM 1102 N PHE A 74 -5.410 0.048 7.039 1.00 0.00 N ATOM 1103 CA PHE A 74 -5.036 1.422 6.727 1.00 0.00 C ATOM 1104 C PHE A 74 -5.321 2.345 7.908 1.00 0.00 C ATOM 1105 O PHE A 74 -6.143 2.032 8.770 1.00 0.00 O ATOM 1106 CB PHE A 74 -5.793 1.911 5.490 1.00 0.00 C ATOM 1107 CG PHE A 74 -7.209 2.320 5.776 1.00 0.00 C ATOM 1108 CD1 PHE A 74 -8.203 1.366 5.927 1.00 0.00 C ATOM 1109 CD2 PHE A 74 -7.547 3.658 5.894 1.00 0.00 C ATOM 1110 CE1 PHE A 74 -9.507 1.739 6.191 1.00 0.00 C ATOM 1111 CE2 PHE A 74 -8.850 4.037 6.158 1.00 0.00 C ATOM 1112 CZ PHE A 74 -9.831 3.077 6.306 1.00 0.00 C ATOM 0 H PHE A 74 -6.415 -0.128 7.028 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.966 1.443 6.522 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.259 2.758 5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.796 1.120 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.955 0.319 5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.784 4.414 5.778 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.272 0.986 6.307 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.100 5.084 6.248 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.850 3.371 6.511 1.00 0.00 H new ATOM 1122 N ARG A 75 -4.634 3.483 7.941 1.00 0.00 N ATOM 1123 CA ARG A 75 -4.811 4.450 9.017 1.00 0.00 C ATOM 1124 C ARG A 75 -5.257 5.801 8.465 1.00 0.00 C ATOM 1125 O ARG A 75 -4.721 6.282 7.468 1.00 0.00 O ATOM 1126 CB ARG A 75 -3.510 4.614 9.804 1.00 0.00 C ATOM 1127 CG ARG A 75 -2.472 5.468 9.094 1.00 0.00 C ATOM 1128 CD ARG A 75 -2.602 6.934 9.477 1.00 0.00 C ATOM 1129 NE ARG A 75 -1.325 7.638 9.387 1.00 0.00 N ATOM 1130 CZ ARG A 75 -1.068 8.777 10.021 1.00 0.00 C ATOM 1131 NH1 ARG A 75 -1.995 9.338 10.786 1.00 0.00 N ATOM 1132 NH2 ARG A 75 0.118 9.358 9.890 1.00 0.00 N ATOM 0 H ARG A 75 -3.950 3.757 7.235 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.586 4.075 9.685 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.735 5.061 10.772 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.086 3.629 9.998 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.473 5.112 9.345 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.587 5.361 8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.329 7.416 8.824 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.987 7.010 10.494 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.591 7.233 8.806 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.908 8.895 10.889 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.795 10.212 11.272 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.833 8.930 9.302 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.314 10.232 10.377 1.00 0.00 H new ATOM 1146 N GLU A 76 -6.243 6.407 9.121 1.00 0.00 N ATOM 1147 CA GLU A 76 -6.761 7.701 8.694 1.00 0.00 C ATOM 1148 C GLU A 76 -5.877 8.836 9.203 1.00 0.00 C ATOM 1149 O GLU A 76 -5.024 8.634 10.068 1.00 0.00 O ATOM 1150 CB GLU A 76 -8.194 7.892 9.196 1.00 0.00 C ATOM 1151 CG GLU A 76 -9.235 7.175 8.353 1.00 0.00 C ATOM 1152 CD GLU A 76 -10.638 7.325 8.907 1.00 0.00 C ATOM 1153 OE1 GLU A 76 -11.083 8.477 9.094 1.00 0.00 O ATOM 1154 OE2 GLU A 76 -11.292 6.290 9.152 1.00 0.00 O ATOM 0 H GLU A 76 -6.698 6.022 9.949 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.759 7.723 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.261 7.534 10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.425 8.957 9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.206 7.567 7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.983 6.116 8.294 1.00 0.00 H new ATOM 1161 N LYS A 77 -6.086 10.030 8.660 1.00 0.00 N ATOM 1162 CA LYS A 77 -5.310 11.199 9.058 1.00 0.00 C ATOM 1163 C LYS A 77 -5.268 11.333 10.577 1.00 0.00 C ATOM 1164 O LYS A 77 -6.060 10.713 11.286 1.00 0.00 O ATOM 1165 CB LYS A 77 -5.906 12.466 8.440 1.00 0.00 C ATOM 1166 CG LYS A 77 -7.359 12.701 8.814 1.00 0.00 C ATOM 1167 CD LYS A 77 -7.906 13.961 8.165 1.00 0.00 C ATOM 1168 CE LYS A 77 -9.134 14.478 8.898 1.00 0.00 C ATOM 1169 NZ LYS A 77 -10.332 13.632 8.638 1.00 0.00 N ATOM 0 H LYS A 77 -6.787 10.214 7.942 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.291 11.069 8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.315 13.326 8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.825 12.403 7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.958 11.843 8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.448 12.781 9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.135 14.731 8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.162 13.755 7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.933 14.504 9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.338 15.502 8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.148 14.017 9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.539 13.627 7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.147 12.660 8.958 1.00 0.00 H new ATOM 1183 N ARG A 78 -4.339 12.146 11.069 1.00 0.00 N ATOM 1184 CA ARG A 78 -4.194 12.361 12.503 1.00 0.00 C ATOM 1185 C ARG A 78 -5.558 12.398 13.188 1.00 0.00 C ATOM 1186 O ARG A 78 -6.571 12.698 12.559 1.00 0.00 O ATOM 1187 CB ARG A 78 -3.442 13.666 12.772 1.00 0.00 C ATOM 1188 CG ARG A 78 -1.950 13.576 12.495 1.00 0.00 C ATOM 1189 CD ARG A 78 -1.200 12.978 13.675 1.00 0.00 C ATOM 1190 NE ARG A 78 0.246 13.140 13.543 1.00 0.00 N ATOM 1191 CZ ARG A 78 0.864 14.312 13.625 1.00 0.00 C ATOM 1192 NH1 ARG A 78 0.167 15.420 13.837 1.00 0.00 N ATOM 1193 NH2 ARG A 78 2.183 14.379 13.495 1.00 0.00 N ATOM 0 H ARG A 78 -3.676 12.667 10.495 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.622 11.529 12.913 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.871 14.456 12.156 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.593 13.955 13.812 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.780 12.967 11.607 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.558 14.570 12.279 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.536 13.454 14.597 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.440 11.918 13.758 1.00 0.00 H new ATOM 0 HE ARG A 78 0.812 12.307 13.379 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.847 15.373 13.938 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.645 16.319 13.900 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.723 13.529 13.332 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.657 15.280 13.558 1.00 0.00 H new ATOM 1207 N ASN A 79 -5.573 12.089 14.481 1.00 0.00 N ATOM 1208 CA ASN A 79 -6.812 12.085 15.251 1.00 0.00 C ATOM 1209 C ASN A 79 -7.739 10.967 14.785 1.00 0.00 C ATOM 1210 O ASN A 79 -8.961 11.113 14.803 1.00 0.00 O ATOM 1211 CB ASN A 79 -7.519 13.436 15.124 1.00 0.00 C ATOM 1212 CG ASN A 79 -8.454 13.710 16.286 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -8.985 12.786 16.902 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -8.659 14.986 16.592 1.00 0.00 N ATOM 0 H ASN A 79 -4.742 11.838 15.017 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.560 11.911 16.297 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.774 14.229 15.066 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.084 13.461 14.192 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.278 15.232 17.365 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.198 15.720 16.054 1.00 0.00 H new ATOM 1221 N GLN A 80 -7.149 9.851 14.368 1.00 0.00 N ATOM 1222 CA GLN A 80 -7.922 8.709 13.896 1.00 0.00 C ATOM 1223 C GLN A 80 -7.249 7.397 14.289 1.00 0.00 C ATOM 1224 O GLN A 80 -6.125 7.389 14.790 1.00 0.00 O ATOM 1225 CB GLN A 80 -8.093 8.773 12.378 1.00 0.00 C ATOM 1226 CG GLN A 80 -8.644 10.101 11.884 1.00 0.00 C ATOM 1227 CD GLN A 80 -10.060 10.360 12.359 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -10.829 9.426 12.590 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -10.412 11.631 12.508 1.00 0.00 N ATOM 0 H GLN A 80 -6.138 9.714 14.348 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.905 8.748 14.366 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.129 8.590 11.904 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.761 7.972 12.062 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.997 10.908 12.227 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.622 10.116 10.794 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.742 12.373 12.305 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.352 11.866 12.826 1.00 0.00 H new ATOM 1238 N LYS A 81 -7.945 6.289 14.058 1.00 0.00 N ATOM 1239 CA LYS A 81 -7.416 4.971 14.386 1.00 0.00 C ATOM 1240 C LYS A 81 -7.419 4.063 13.160 1.00 0.00 C ATOM 1241 O LYS A 81 -7.982 4.409 12.122 1.00 0.00 O ATOM 1242 CB LYS A 81 -8.239 4.333 15.508 1.00 0.00 C ATOM 1243 CG LYS A 81 -8.172 5.095 16.820 1.00 0.00 C ATOM 1244 CD LYS A 81 -8.353 4.169 18.012 1.00 0.00 C ATOM 1245 CE LYS A 81 -8.942 4.906 19.205 1.00 0.00 C ATOM 1246 NZ LYS A 81 -10.422 5.039 19.100 1.00 0.00 N ATOM 0 H LYS A 81 -8.877 6.278 13.645 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.387 5.094 14.723 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.279 4.264 15.190 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.887 3.314 15.671 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.212 5.605 16.897 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.944 5.864 16.835 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.006 3.341 17.735 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.391 3.737 18.288 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.689 4.373 20.122 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.493 5.896 19.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.785 5.547 19.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.663 5.570 18.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.853 4.094 19.056 1.00 0.00 H new ATOM 1260 N TRP A 82 -6.788 2.901 13.289 1.00 0.00 N ATOM 1261 CA TRP A 82 -6.719 1.944 12.191 1.00 0.00 C ATOM 1262 C TRP A 82 -8.087 1.328 11.919 1.00 0.00 C ATOM 1263 O TRP A 82 -9.030 1.524 12.686 1.00 0.00 O ATOM 1264 CB TRP A 82 -5.705 0.843 12.510 1.00 0.00 C ATOM 1265 CG TRP A 82 -4.405 1.369 13.038 1.00 0.00 C ATOM 1266 CD1 TRP A 82 -4.113 1.681 14.335 1.00 0.00 C ATOM 1267 CD2 TRP A 82 -3.221 1.645 12.281 1.00 0.00 C ATOM 1268 NE1 TRP A 82 -2.820 2.135 14.430 1.00 0.00 N ATOM 1269 CE2 TRP A 82 -2.251 2.121 13.184 1.00 0.00 C ATOM 1270 CE3 TRP A 82 -2.886 1.535 10.929 1.00 0.00 C ATOM 1271 CZ2 TRP A 82 -0.971 2.487 12.777 1.00 0.00 C ATOM 1272 CZ3 TRP A 82 -1.615 1.898 10.526 1.00 0.00 C ATOM 1273 CH2 TRP A 82 -0.670 2.369 11.447 1.00 0.00 C ATOM 0 H TRP A 82 -6.317 2.599 14.142 1.00 0.00 H new ATOM 0 HA TRP A 82 -6.397 2.477 11.297 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.138 0.162 13.243 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -5.514 0.262 11.608 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -4.798 1.585 15.164 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -2.358 2.434 15.289 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -3.608 1.173 10.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.242 2.851 13.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.345 1.817 9.483 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.315 2.644 11.101 1.00 0.00 H new ATOM 1284 N ARG A 83 -8.189 0.583 10.823 1.00 0.00 N ATOM 1285 CA ARG A 83 -9.443 -0.060 10.450 1.00 0.00 C ATOM 1286 C ARG A 83 -9.257 -0.942 9.219 1.00 0.00 C ATOM 1287 O ARG A 83 -8.538 -0.580 8.287 1.00 0.00 O ATOM 1288 CB ARG A 83 -10.520 0.992 10.179 1.00 0.00 C ATOM 1289 CG ARG A 83 -10.011 2.199 9.407 1.00 0.00 C ATOM 1290 CD ARG A 83 -10.737 3.470 9.820 1.00 0.00 C ATOM 1291 NE ARG A 83 -10.336 3.922 11.150 1.00 0.00 N ATOM 1292 CZ ARG A 83 -11.039 4.784 11.876 1.00 0.00 C ATOM 1293 NH1 ARG A 83 -12.171 5.286 11.403 1.00 0.00 N ATOM 1294 NH2 ARG A 83 -10.609 5.147 13.078 1.00 0.00 N ATOM 0 H ARG A 83 -7.418 0.410 10.178 1.00 0.00 H new ATOM 0 HA ARG A 83 -9.761 -0.689 11.282 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.334 0.531 9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.936 1.328 11.129 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.941 2.317 9.579 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.146 2.032 8.338 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.533 4.256 9.093 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.813 3.294 9.806 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.469 3.556 11.543 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.504 5.011 10.479 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.709 5.948 11.963 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.738 4.764 13.445 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.150 5.809 13.635 1.00 0.00 H new ATOM 1308 N SER A 84 -9.908 -2.100 9.223 1.00 0.00 N ATOM 1309 CA SER A 84 -9.811 -3.035 8.108 1.00 0.00 C ATOM 1310 C SER A 84 -9.989 -2.314 6.776 1.00 0.00 C ATOM 1311 O SER A 84 -10.458 -1.175 6.731 1.00 0.00 O ATOM 1312 CB SER A 84 -10.862 -4.138 8.248 1.00 0.00 C ATOM 1313 OG SER A 84 -10.494 -5.071 9.249 1.00 0.00 O ATOM 0 H SER A 84 -10.508 -2.414 9.986 1.00 0.00 H new ATOM 0 HA SER A 84 -8.818 -3.484 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.827 -3.696 8.496 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.983 -4.652 7.294 1.00 0.00 H new ATOM 0 HG SER A 84 -11.183 -5.764 9.319 1.00 0.00 H new ATOM 1319 N LEU A 85 -9.611 -2.983 5.693 1.00 0.00 N ATOM 1320 CA LEU A 85 -9.728 -2.407 4.358 1.00 0.00 C ATOM 1321 C LEU A 85 -10.907 -3.013 3.604 1.00 0.00 C ATOM 1322 O LEU A 85 -11.457 -4.035 4.013 1.00 0.00 O ATOM 1323 CB LEU A 85 -8.436 -2.629 3.570 1.00 0.00 C ATOM 1324 CG LEU A 85 -7.299 -1.646 3.853 1.00 0.00 C ATOM 1325 CD1 LEU A 85 -5.950 -2.308 3.617 1.00 0.00 C ATOM 1326 CD2 LEU A 85 -7.443 -0.401 2.990 1.00 0.00 C ATOM 0 H LEU A 85 -9.221 -3.925 5.713 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.901 -1.336 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.077 -3.637 3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.671 -2.585 2.506 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.355 -1.346 4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.153 -1.594 3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.846 -3.168 4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.883 -2.637 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.625 0.287 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.413 -0.682 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.394 0.085 3.209 1.00 0.00 H new ATOM 1338 N GLU A 86 -11.288 -2.377 2.500 1.00 0.00 N ATOM 1339 CA GLU A 86 -12.401 -2.856 1.689 1.00 0.00 C ATOM 1340 C GLU A 86 -12.007 -4.105 0.907 1.00 0.00 C ATOM 1341 O GLU A 86 -11.090 -4.073 0.085 1.00 0.00 O ATOM 1342 CB GLU A 86 -12.866 -1.762 0.726 1.00 0.00 C ATOM 1343 CG GLU A 86 -13.358 -0.505 1.423 1.00 0.00 C ATOM 1344 CD GLU A 86 -12.226 0.426 1.814 1.00 0.00 C ATOM 1345 OE1 GLU A 86 -11.705 1.131 0.925 1.00 0.00 O ATOM 1346 OE2 GLU A 86 -11.862 0.448 3.008 1.00 0.00 O ATOM 0 H GLU A 86 -10.843 -1.530 2.147 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.222 -3.113 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.042 -1.500 0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.666 -2.157 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.048 0.024 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.918 -0.784 2.315 1.00 0.00 H new ATOM 1353 N LYS A 87 -12.704 -5.205 1.168 1.00 0.00 N ATOM 1354 CA LYS A 87 -12.429 -6.466 0.489 1.00 0.00 C ATOM 1355 C LYS A 87 -12.622 -6.326 -1.018 1.00 0.00 C ATOM 1356 O LYS A 87 -13.639 -5.805 -1.477 1.00 0.00 O ATOM 1357 CB LYS A 87 -13.341 -7.569 1.030 1.00 0.00 C ATOM 1358 CG LYS A 87 -13.115 -8.921 0.375 1.00 0.00 C ATOM 1359 CD LYS A 87 -12.101 -9.751 1.145 1.00 0.00 C ATOM 1360 CE LYS A 87 -10.693 -9.555 0.603 1.00 0.00 C ATOM 1361 NZ LYS A 87 -10.384 -10.509 -0.498 1.00 0.00 N ATOM 0 H LYS A 87 -13.465 -5.249 1.846 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.390 -6.735 0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.184 -7.664 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.380 -7.273 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.060 -9.461 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.767 -8.777 -0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.128 -9.474 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.372 -10.805 1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.583 -8.533 0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.972 -9.686 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.537 -11.061 -0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.189 -11.153 -0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.210 -9.980 -1.377 1.00 0.00 H new ATOM 1375 N ARG A 88 -11.641 -6.794 -1.781 1.00 0.00 N ATOM 1376 CA ARG A 88 -11.703 -6.721 -3.236 1.00 0.00 C ATOM 1377 C ARG A 88 -10.901 -7.853 -3.872 1.00 0.00 C ATOM 1378 O ARG A 88 -10.145 -8.548 -3.194 1.00 0.00 O ATOM 1379 CB ARG A 88 -11.175 -5.371 -3.723 1.00 0.00 C ATOM 1380 CG ARG A 88 -11.779 -4.921 -5.044 1.00 0.00 C ATOM 1381 CD ARG A 88 -11.836 -3.404 -5.142 1.00 0.00 C ATOM 1382 NE ARG A 88 -12.632 -2.960 -6.283 1.00 0.00 N ATOM 1383 CZ ARG A 88 -13.957 -2.856 -6.259 1.00 0.00 C ATOM 1384 NH1 ARG A 88 -14.629 -3.164 -5.159 1.00 0.00 N ATOM 1385 NH2 ARG A 88 -14.610 -2.444 -7.338 1.00 0.00 N ATOM 0 H ARG A 88 -10.793 -7.228 -1.416 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.746 -6.825 -3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.379 -4.616 -2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -10.092 -5.431 -3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.188 -5.318 -5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.784 -5.331 -5.145 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.260 -2.997 -4.224 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.824 -3.008 -5.229 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.145 -2.716 -7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.129 -3.482 -4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.646 -3.083 -5.143 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.095 -2.207 -8.186 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.627 -2.364 -7.319 1.00 0.00 H new ATOM 1399 N ALA A 89 -11.072 -8.031 -5.178 1.00 0.00 N ATOM 1400 CA ALA A 89 -10.363 -9.076 -5.906 1.00 0.00 C ATOM 1401 C ALA A 89 -9.062 -8.547 -6.499 1.00 0.00 C ATOM 1402 O ALA A 89 -9.038 -7.481 -7.115 1.00 0.00 O ATOM 1403 CB ALA A 89 -11.250 -9.651 -7.001 1.00 0.00 C ATOM 0 H ALA A 89 -11.696 -7.465 -5.753 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.113 -9.870 -5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.708 -10.430 -7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.149 -10.076 -6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.529 -8.859 -7.697 1.00 0.00 H new ATOM 1409 N ASP A 90 -7.983 -9.297 -6.310 1.00 0.00 N ATOM 1410 CA ASP A 90 -6.677 -8.903 -6.827 1.00 0.00 C ATOM 1411 C ASP A 90 -6.754 -8.596 -8.319 1.00 0.00 C ATOM 1412 O ASP A 90 -6.855 -9.503 -9.144 1.00 0.00 O ATOM 1413 CB ASP A 90 -5.650 -10.008 -6.573 1.00 0.00 C ATOM 1414 CG ASP A 90 -5.407 -10.244 -5.096 1.00 0.00 C ATOM 1415 OD1 ASP A 90 -6.328 -9.984 -4.294 1.00 0.00 O ATOM 1416 OD2 ASP A 90 -4.294 -10.688 -4.741 1.00 0.00 O ATOM 0 H ASP A 90 -7.986 -10.182 -5.802 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.364 -7.999 -6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.995 -10.934 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.709 -9.743 -7.055 1.00 0.00 H new ATOM 1421 N GLU A 91 -6.707 -7.311 -8.657 1.00 0.00 N ATOM 1422 CA GLU A 91 -6.773 -6.885 -10.050 1.00 0.00 C ATOM 1423 C GLU A 91 -5.438 -6.303 -10.505 1.00 0.00 C ATOM 1424 O GLU A 91 -4.871 -5.430 -9.847 1.00 0.00 O ATOM 1425 CB GLU A 91 -7.883 -5.849 -10.237 1.00 0.00 C ATOM 1426 CG GLU A 91 -9.245 -6.460 -10.522 1.00 0.00 C ATOM 1427 CD GLU A 91 -10.388 -5.527 -10.175 1.00 0.00 C ATOM 1428 OE1 GLU A 91 -10.769 -4.710 -11.039 1.00 0.00 O ATOM 1429 OE2 GLU A 91 -10.901 -5.613 -9.040 1.00 0.00 O ATOM 0 H GLU A 91 -6.624 -6.548 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.995 -7.760 -10.661 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.950 -5.235 -9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.613 -5.184 -11.058 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.306 -6.726 -11.577 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.350 -7.384 -9.954 1.00 0.00 H new ATOM 1436 N VAL A 92 -4.939 -6.794 -11.635 1.00 0.00 N ATOM 1437 CA VAL A 92 -3.671 -6.324 -12.179 1.00 0.00 C ATOM 1438 C VAL A 92 -3.893 -5.261 -13.249 1.00 0.00 C ATOM 1439 O VAL A 92 -3.230 -5.261 -14.286 1.00 0.00 O ATOM 1440 CB VAL A 92 -2.856 -7.483 -12.784 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -2.585 -8.550 -11.734 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -3.580 -8.075 -13.983 1.00 0.00 C ATOM 0 H VAL A 92 -5.394 -7.518 -12.192 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.112 -5.890 -11.350 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.898 -7.091 -13.125 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.008 -9.361 -12.179 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.021 -8.114 -10.909 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.531 -8.941 -11.360 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.990 -8.892 -14.397 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.553 -8.453 -13.670 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.717 -7.305 -14.742 1.00 0.00 H new ATOM 1452 N SER A 93 -4.830 -4.355 -12.990 1.00 0.00 N ATOM 1453 CA SER A 93 -5.142 -3.286 -13.932 1.00 0.00 C ATOM 1454 C SER A 93 -4.864 -1.919 -13.315 1.00 0.00 C ATOM 1455 O SER A 93 -5.171 -1.678 -12.148 1.00 0.00 O ATOM 1456 CB SER A 93 -6.606 -3.374 -14.367 1.00 0.00 C ATOM 1457 OG SER A 93 -6.905 -4.654 -14.896 1.00 0.00 O ATOM 0 H SER A 93 -5.387 -4.340 -12.135 1.00 0.00 H new ATOM 0 HA SER A 93 -4.502 -3.407 -14.806 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.255 -3.169 -13.515 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.812 -2.610 -15.117 1.00 0.00 H new ATOM 0 HG SER A 93 -7.847 -4.685 -15.165 1.00 0.00 H new ATOM 1463 N GLY A 94 -4.279 -1.027 -14.108 1.00 0.00 N ATOM 1464 CA GLY A 94 -3.968 0.306 -13.624 1.00 0.00 C ATOM 1465 C GLY A 94 -2.819 0.944 -14.378 1.00 0.00 C ATOM 1466 O GLY A 94 -1.843 0.285 -14.739 1.00 0.00 O ATOM 0 H GLY A 94 -4.015 -1.203 -15.077 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.852 0.937 -13.714 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.719 0.255 -12.564 1.00 0.00 H new ATOM 1470 N PRO A 95 -2.927 2.257 -14.630 1.00 0.00 N ATOM 1471 CA PRO A 95 -1.898 3.012 -15.350 1.00 0.00 C ATOM 1472 C PRO A 95 -0.620 3.174 -14.534 1.00 0.00 C ATOM 1473 O PRO A 95 -0.540 2.722 -13.392 1.00 0.00 O ATOM 1474 CB PRO A 95 -2.558 4.373 -15.587 1.00 0.00 C ATOM 1475 CG PRO A 95 -3.568 4.499 -14.499 1.00 0.00 C ATOM 1476 CD PRO A 95 -4.063 3.105 -14.230 1.00 0.00 C ATOM 0 HA PRO A 95 -1.588 2.508 -16.265 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.827 5.180 -15.544 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.027 4.420 -16.570 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.125 4.935 -13.604 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.387 5.152 -14.800 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.319 2.965 -13.180 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.958 2.877 -14.809 1.00 0.00 H new ATOM 1484 N SER A 96 0.377 3.823 -15.128 1.00 0.00 N ATOM 1485 CA SER A 96 1.653 4.042 -14.456 1.00 0.00 C ATOM 1486 C SER A 96 2.185 5.442 -14.745 1.00 0.00 C ATOM 1487 O SER A 96 2.447 5.794 -15.896 1.00 0.00 O ATOM 1488 CB SER A 96 2.674 2.994 -14.902 1.00 0.00 C ATOM 1489 OG SER A 96 2.836 3.005 -16.310 1.00 0.00 O ATOM 0 H SER A 96 0.326 4.206 -16.072 1.00 0.00 H new ATOM 0 HA SER A 96 1.492 3.948 -13.382 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.633 3.188 -14.421 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.350 2.005 -14.578 1.00 0.00 H new ATOM 0 HG SER A 96 2.776 3.926 -16.639 1.00 0.00 H new ATOM 1495 N SER A 97 2.343 6.238 -13.692 1.00 0.00 N ATOM 1496 CA SER A 97 2.841 7.601 -13.831 1.00 0.00 C ATOM 1497 C SER A 97 3.275 8.162 -12.481 1.00 0.00 C ATOM 1498 O SER A 97 2.710 7.819 -11.443 1.00 0.00 O ATOM 1499 CB SER A 97 1.765 8.499 -14.446 1.00 0.00 C ATOM 1500 OG SER A 97 1.849 8.499 -15.861 1.00 0.00 O ATOM 0 H SER A 97 2.133 5.962 -12.733 1.00 0.00 H new ATOM 0 HA SER A 97 3.708 7.579 -14.491 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.778 8.154 -14.137 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.878 9.516 -14.072 1.00 0.00 H new ATOM 0 HG SER A 97 2.068 7.597 -16.176 1.00 0.00 H new ATOM 1506 N GLY A 98 4.285 9.027 -12.503 1.00 0.00 N ATOM 1507 CA GLY A 98 4.779 9.621 -11.275 1.00 0.00 C ATOM 1508 C GLY A 98 6.070 10.390 -11.482 1.00 0.00 C ATOM 1509 O GLY A 98 6.134 11.220 -12.387 1.00 0.00 O ATOM 0 H GLY A 98 4.769 9.327 -13.349 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.021 10.291 -10.869 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.941 8.837 -10.535 1.00 0.00 H new TER 1513 GLY A 98 HETATM 1514 ZN ZN A 201 5.370 1.259 -1.228 1.00 0.00 ZN HETATM 1515 ZN ZN A 401 2.014 -10.176 5.223 1.00 0.00 ZN