USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 41 MET CE :methyl 173:sc= -4.14! (180deg=-4.37!) USER MOD Set 3.1: A 33 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 35 SER OG : rot -150:sc= -0.222 USER MOD Set 4.1: A 22 SER OG : rot 160:sc= -0.0001 USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= -0.952 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 34:sc= 0.925 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0427 X(o=-0.043,f=-0.47) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0358 K(o=-0.036,f=-2.8!) USER MOD Single : A 20 LYS NZ :NH3+ 143:sc= 0.186 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.0163 (180deg=-0.171) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= -0.0069 (180deg=-0.119) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.848 K(o=-0.85,f=-3.3!) USER MOD Single : A 57 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.461) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.154 USER MOD Single : A 66 LYS NZ :NH3+ -126:sc= -0.0058 (180deg=-0.961) USER MOD Single : A 67 THR OG1 : rot -67:sc= 0.823 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 46:sc= 0.307 USER MOD Single : A 72 SER OG : rot -80:sc= 0.202 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.923 -9.922 -23.574 1.00 0.00 N ATOM 2 CA GLY A 1 14.588 -9.410 -23.330 1.00 0.00 C ATOM 3 C GLY A 1 14.263 -8.205 -24.190 1.00 0.00 C ATOM 4 O GLY A 1 14.317 -8.277 -25.418 1.00 0.00 O ATOM 0 H1 GLY A 1 16.096 -10.745 -22.962 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.009 -10.207 -24.570 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.622 -9.181 -23.365 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.859 -10.197 -23.523 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.493 -9.138 -22.279 1.00 0.00 H new ATOM 8 N SER A 2 13.923 -7.094 -23.545 1.00 0.00 N ATOM 9 CA SER A 2 13.582 -5.869 -24.259 1.00 0.00 C ATOM 10 C SER A 2 12.410 -6.100 -25.207 1.00 0.00 C ATOM 11 O SER A 2 12.422 -5.645 -26.350 1.00 0.00 O ATOM 12 CB SER A 2 14.793 -5.357 -25.042 1.00 0.00 C ATOM 13 OG SER A 2 15.664 -4.614 -24.207 1.00 0.00 O ATOM 0 H SER A 2 13.876 -7.017 -22.529 1.00 0.00 H new ATOM 0 HA SER A 2 13.289 -5.119 -23.524 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.331 -6.199 -25.476 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.457 -4.732 -25.870 1.00 0.00 H new ATOM 0 HG SER A 2 16.430 -4.300 -24.731 1.00 0.00 H new ATOM 19 N SER A 3 11.397 -6.812 -24.722 1.00 0.00 N ATOM 20 CA SER A 3 10.217 -7.109 -25.527 1.00 0.00 C ATOM 21 C SER A 3 9.009 -6.320 -25.030 1.00 0.00 C ATOM 22 O SER A 3 9.076 -5.637 -24.009 1.00 0.00 O ATOM 23 CB SER A 3 9.912 -8.608 -25.490 1.00 0.00 C ATOM 24 OG SER A 3 10.618 -9.297 -26.507 1.00 0.00 O ATOM 0 H SER A 3 11.370 -7.194 -23.776 1.00 0.00 H new ATOM 0 HA SER A 3 10.425 -6.814 -26.555 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.184 -9.014 -24.515 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.841 -8.768 -25.614 1.00 0.00 H new ATOM 0 HG SER A 3 10.408 -10.253 -26.461 1.00 0.00 H new ATOM 30 N GLY A 4 7.904 -6.420 -25.762 1.00 0.00 N ATOM 31 CA GLY A 4 6.696 -5.712 -25.382 1.00 0.00 C ATOM 32 C GLY A 4 5.475 -6.611 -25.370 1.00 0.00 C ATOM 33 O GLY A 4 4.740 -6.684 -26.354 1.00 0.00 O ATOM 0 H GLY A 4 7.824 -6.979 -26.612 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.831 -5.275 -24.393 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.529 -4.887 -26.075 1.00 0.00 H new ATOM 37 N SER A 5 5.261 -7.300 -24.254 1.00 0.00 N ATOM 38 CA SER A 5 4.124 -8.203 -24.119 1.00 0.00 C ATOM 39 C SER A 5 3.044 -7.590 -23.233 1.00 0.00 C ATOM 40 O SER A 5 3.192 -7.522 -22.013 1.00 0.00 O ATOM 41 CB SER A 5 4.577 -9.544 -23.538 1.00 0.00 C ATOM 42 OG SER A 5 5.108 -9.381 -22.234 1.00 0.00 O ATOM 0 H SER A 5 5.860 -7.250 -23.430 1.00 0.00 H new ATOM 0 HA SER A 5 3.704 -8.368 -25.111 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.734 -10.234 -23.507 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.330 -9.990 -24.188 1.00 0.00 H new ATOM 0 HG SER A 5 4.627 -8.663 -21.772 1.00 0.00 H new ATOM 48 N SER A 6 1.958 -7.145 -23.856 1.00 0.00 N ATOM 49 CA SER A 6 0.854 -6.533 -23.126 1.00 0.00 C ATOM 50 C SER A 6 -0.461 -7.241 -23.437 1.00 0.00 C ATOM 51 O SER A 6 -0.572 -7.963 -24.427 1.00 0.00 O ATOM 52 CB SER A 6 0.743 -5.049 -23.477 1.00 0.00 C ATOM 53 OG SER A 6 1.912 -4.345 -23.096 1.00 0.00 O ATOM 0 H SER A 6 1.819 -7.197 -24.865 1.00 0.00 H new ATOM 0 HA SER A 6 1.057 -6.632 -22.060 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.581 -4.937 -24.549 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.124 -4.618 -22.977 1.00 0.00 H new ATOM 0 HG SER A 6 1.816 -3.399 -23.333 1.00 0.00 H new ATOM 59 N GLY A 7 -1.457 -7.028 -22.582 1.00 0.00 N ATOM 60 CA GLY A 7 -2.752 -7.652 -22.781 1.00 0.00 C ATOM 61 C GLY A 7 -3.591 -7.663 -21.519 1.00 0.00 C ATOM 62 O GLY A 7 -3.610 -8.651 -20.785 1.00 0.00 O ATOM 0 H GLY A 7 -1.390 -6.434 -21.755 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.290 -7.122 -23.567 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.609 -8.676 -23.127 1.00 0.00 H new ATOM 66 N LYS A 8 -4.287 -6.560 -21.264 1.00 0.00 N ATOM 67 CA LYS A 8 -5.133 -6.445 -20.082 1.00 0.00 C ATOM 68 C LYS A 8 -6.215 -5.390 -20.288 1.00 0.00 C ATOM 69 O LYS A 8 -5.946 -4.302 -20.797 1.00 0.00 O ATOM 70 CB LYS A 8 -4.286 -6.090 -18.857 1.00 0.00 C ATOM 71 CG LYS A 8 -3.440 -4.842 -19.044 1.00 0.00 C ATOM 72 CD LYS A 8 -2.493 -4.630 -17.874 1.00 0.00 C ATOM 73 CE LYS A 8 -1.268 -5.526 -17.979 1.00 0.00 C ATOM 74 NZ LYS A 8 -0.505 -5.574 -16.702 1.00 0.00 N ATOM 0 H LYS A 8 -4.282 -5.733 -21.861 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.616 -7.408 -19.916 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.944 -5.948 -18.000 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.632 -6.930 -18.622 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.866 -4.925 -19.967 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.090 -3.973 -19.149 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.180 -3.586 -17.842 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.016 -4.835 -16.940 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.578 -6.534 -18.255 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.619 -5.162 -18.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.322 -6.195 -16.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.187 -4.616 -16.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.116 -5.945 -15.946 1.00 0.00 H new ATOM 88 N ARG A 9 -7.439 -5.719 -19.887 1.00 0.00 N ATOM 89 CA ARG A 9 -8.562 -4.800 -20.028 1.00 0.00 C ATOM 90 C ARG A 9 -8.910 -4.158 -18.688 1.00 0.00 C ATOM 91 O ARG A 9 -9.009 -4.841 -17.669 1.00 0.00 O ATOM 92 CB ARG A 9 -9.782 -5.533 -20.587 1.00 0.00 C ATOM 93 CG ARG A 9 -11.015 -4.653 -20.717 1.00 0.00 C ATOM 94 CD ARG A 9 -12.244 -5.468 -21.089 1.00 0.00 C ATOM 95 NE ARG A 9 -12.530 -6.508 -20.105 1.00 0.00 N ATOM 96 CZ ARG A 9 -13.618 -7.269 -20.136 1.00 0.00 C ATOM 97 NH1 ARG A 9 -14.517 -7.108 -21.097 1.00 0.00 N ATOM 98 NH2 ARG A 9 -13.809 -8.195 -19.204 1.00 0.00 N ATOM 0 H ARG A 9 -7.678 -6.615 -19.462 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.270 -4.013 -20.724 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.533 -5.941 -21.566 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.016 -6.378 -19.939 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.193 -4.133 -19.776 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.840 -3.889 -21.475 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.105 -4.806 -21.177 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.093 -5.926 -22.067 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.858 -6.658 -19.353 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.374 -6.398 -21.815 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.352 -7.694 -21.118 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.120 -8.323 -18.463 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.645 -8.779 -19.229 1.00 0.00 H new ATOM 112 N GLN A 10 -9.094 -2.842 -18.698 1.00 0.00 N ATOM 113 CA GLN A 10 -9.430 -2.108 -17.483 1.00 0.00 C ATOM 114 C GLN A 10 -10.499 -1.056 -17.761 1.00 0.00 C ATOM 115 O GLN A 10 -10.235 -0.044 -18.410 1.00 0.00 O ATOM 116 CB GLN A 10 -8.181 -1.443 -16.902 1.00 0.00 C ATOM 117 CG GLN A 10 -7.135 -2.433 -16.415 1.00 0.00 C ATOM 118 CD GLN A 10 -5.738 -1.846 -16.401 1.00 0.00 C ATOM 119 OE1 GLN A 10 -5.318 -1.189 -17.354 1.00 0.00 O ATOM 120 NE2 GLN A 10 -5.008 -2.080 -15.316 1.00 0.00 N ATOM 0 H GLN A 10 -9.016 -2.262 -19.533 1.00 0.00 H new ATOM 0 HA GLN A 10 -9.826 -2.818 -16.757 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.735 -0.800 -17.661 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.475 -0.800 -16.072 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.395 -2.766 -15.410 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.148 -3.314 -17.056 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.396 -2.630 -14.549 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.060 -1.710 -15.250 1.00 0.00 H new ATOM 129 N LYS A 11 -11.706 -1.302 -17.264 1.00 0.00 N ATOM 130 CA LYS A 11 -12.816 -0.376 -17.457 1.00 0.00 C ATOM 131 C LYS A 11 -14.007 -0.764 -16.586 1.00 0.00 C ATOM 132 O LYS A 11 -14.444 -1.915 -16.595 1.00 0.00 O ATOM 133 CB LYS A 11 -13.234 -0.348 -18.929 1.00 0.00 C ATOM 134 CG LYS A 11 -14.196 0.778 -19.267 1.00 0.00 C ATOM 135 CD LYS A 11 -15.620 0.436 -18.860 1.00 0.00 C ATOM 136 CE LYS A 11 -16.617 1.433 -19.432 1.00 0.00 C ATOM 137 NZ LYS A 11 -17.099 1.023 -20.780 1.00 0.00 N ATOM 0 H LYS A 11 -11.941 -2.135 -16.724 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.482 0.619 -17.162 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.343 -0.252 -19.549 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.699 -1.300 -19.184 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.881 1.691 -18.761 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.161 0.979 -20.338 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.868 -0.567 -19.206 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.697 0.426 -17.773 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.466 1.526 -18.755 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.151 2.416 -19.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.776 1.728 -21.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.292 0.958 -21.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.566 0.096 -20.715 1.00 0.00 H new ATOM 151 N ILE A 12 -14.527 0.202 -15.838 1.00 0.00 N ATOM 152 CA ILE A 12 -15.668 -0.039 -14.964 1.00 0.00 C ATOM 153 C ILE A 12 -16.242 1.270 -14.434 1.00 0.00 C ATOM 154 O ILE A 12 -15.502 2.207 -14.130 1.00 0.00 O ATOM 155 CB ILE A 12 -15.285 -0.938 -13.773 1.00 0.00 C ATOM 156 CG1 ILE A 12 -16.473 -1.093 -12.821 1.00 0.00 C ATOM 157 CG2 ILE A 12 -14.084 -0.361 -13.039 1.00 0.00 C ATOM 158 CD1 ILE A 12 -17.532 -2.048 -13.327 1.00 0.00 C ATOM 0 H ILE A 12 -14.176 1.160 -15.819 1.00 0.00 H new ATOM 0 HA ILE A 12 -16.423 -0.547 -15.564 1.00 0.00 H new ATOM 0 HB ILE A 12 -15.016 -1.924 -14.152 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -16.111 -1.444 -11.855 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -16.926 -0.115 -12.656 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -13.825 -1.007 -12.200 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.237 -0.296 -13.722 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -14.328 0.635 -12.668 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -18.344 -2.109 -12.602 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -17.922 -1.688 -14.279 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -17.094 -3.037 -13.465 1.00 0.00 H new ATOM 170 N HIS A 13 -17.566 1.329 -14.325 1.00 0.00 N ATOM 171 CA HIS A 13 -18.240 2.524 -13.829 1.00 0.00 C ATOM 172 C HIS A 13 -19.196 2.176 -12.693 1.00 0.00 C ATOM 173 O HIS A 13 -20.415 2.168 -12.874 1.00 0.00 O ATOM 174 CB HIS A 13 -19.003 3.212 -14.962 1.00 0.00 C ATOM 175 CG HIS A 13 -19.709 4.461 -14.536 1.00 0.00 C ATOM 176 ND1 HIS A 13 -19.089 5.475 -13.836 1.00 0.00 N ATOM 177 CD2 HIS A 13 -20.991 4.859 -14.715 1.00 0.00 C ATOM 178 CE1 HIS A 13 -19.959 6.441 -13.602 1.00 0.00 C ATOM 179 NE2 HIS A 13 -21.120 6.093 -14.126 1.00 0.00 N ATOM 0 H HIS A 13 -18.193 0.564 -14.573 1.00 0.00 H new ATOM 0 HA HIS A 13 -17.482 3.207 -13.445 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -18.306 3.454 -15.764 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -19.732 2.515 -15.374 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -21.767 4.309 -15.226 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -19.755 7.360 -13.072 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -21.974 6.650 -14.098 1.00 0.00 H new ATOM 187 N LEU A 14 -18.637 1.888 -11.523 1.00 0.00 N ATOM 188 CA LEU A 14 -19.441 1.538 -10.357 1.00 0.00 C ATOM 189 C LEU A 14 -19.475 2.688 -9.354 1.00 0.00 C ATOM 190 O LEU A 14 -19.508 2.468 -8.144 1.00 0.00 O ATOM 191 CB LEU A 14 -18.885 0.280 -9.688 1.00 0.00 C ATOM 192 CG LEU A 14 -19.423 -1.052 -10.213 1.00 0.00 C ATOM 193 CD1 LEU A 14 -18.433 -2.173 -9.936 1.00 0.00 C ATOM 194 CD2 LEU A 14 -20.774 -1.365 -9.588 1.00 0.00 C ATOM 0 H LEU A 14 -17.631 1.890 -11.356 1.00 0.00 H new ATOM 0 HA LEU A 14 -20.459 1.343 -10.694 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.801 0.281 -9.801 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.094 0.338 -8.620 1.00 0.00 H new ATOM 0 HG LEU A 14 -19.555 -0.969 -11.292 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -18.832 -3.113 -10.316 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -17.487 -1.954 -10.431 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -18.269 -2.257 -8.862 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -21.141 -2.316 -9.973 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -20.668 -1.429 -8.505 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.482 -0.575 -9.837 1.00 0.00 H new ATOM 206 N GLY A 15 -19.468 3.914 -9.867 1.00 0.00 N ATOM 207 CA GLY A 15 -19.500 5.080 -9.003 1.00 0.00 C ATOM 208 C GLY A 15 -18.716 4.874 -7.722 1.00 0.00 C ATOM 209 O GLY A 15 -19.297 4.759 -6.643 1.00 0.00 O ATOM 0 H GLY A 15 -19.441 4.121 -10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.094 5.937 -9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.535 5.318 -8.758 1.00 0.00 H new ATOM 213 N ASP A 16 -17.394 4.826 -7.841 1.00 0.00 N ATOM 214 CA ASP A 16 -16.529 4.631 -6.683 1.00 0.00 C ATOM 215 C ASP A 16 -15.262 5.471 -6.804 1.00 0.00 C ATOM 216 O ASP A 16 -14.963 6.011 -7.870 1.00 0.00 O ATOM 217 CB ASP A 16 -16.165 3.153 -6.534 1.00 0.00 C ATOM 218 CG ASP A 16 -14.920 2.782 -7.317 1.00 0.00 C ATOM 219 OD1 ASP A 16 -13.832 3.295 -6.980 1.00 0.00 O ATOM 220 OD2 ASP A 16 -15.035 1.979 -8.266 1.00 0.00 O ATOM 0 H ASP A 16 -16.898 4.919 -8.727 1.00 0.00 H new ATOM 0 HA ASP A 16 -17.073 4.953 -5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -16.009 2.925 -5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.000 2.540 -6.873 1.00 0.00 H new ATOM 225 N ARG A 17 -14.521 5.578 -5.706 1.00 0.00 N ATOM 226 CA ARG A 17 -13.287 6.353 -5.689 1.00 0.00 C ATOM 227 C ARG A 17 -12.068 5.438 -5.753 1.00 0.00 C ATOM 228 O ARG A 17 -11.064 5.767 -6.383 1.00 0.00 O ATOM 229 CB ARG A 17 -13.222 7.220 -4.430 1.00 0.00 C ATOM 230 CG ARG A 17 -13.965 8.540 -4.561 1.00 0.00 C ATOM 231 CD ARG A 17 -14.294 9.130 -3.198 1.00 0.00 C ATOM 232 NE ARG A 17 -15.106 10.340 -3.308 1.00 0.00 N ATOM 233 CZ ARG A 17 -15.862 10.809 -2.322 1.00 0.00 C ATOM 234 NH1 ARG A 17 -15.910 10.174 -1.159 1.00 0.00 N ATOM 235 NH2 ARG A 17 -16.573 11.916 -2.498 1.00 0.00 N ATOM 0 H ARG A 17 -14.754 5.137 -4.816 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.281 6.998 -6.568 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.637 6.660 -3.592 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.178 7.422 -4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.358 9.246 -5.128 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.885 8.387 -5.124 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.826 8.389 -2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.369 9.361 -2.670 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.091 10.852 -4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.365 9.323 -1.020 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.492 10.537 -0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.539 12.407 -3.391 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.153 12.275 -1.740 1.00 0.00 H new ATOM 249 N SER A 18 -12.164 4.287 -5.094 1.00 0.00 N ATOM 250 CA SER A 18 -11.068 3.325 -5.072 1.00 0.00 C ATOM 251 C SER A 18 -10.465 3.157 -6.464 1.00 0.00 C ATOM 252 O SER A 18 -11.164 2.818 -7.417 1.00 0.00 O ATOM 253 CB SER A 18 -11.558 1.974 -4.550 1.00 0.00 C ATOM 254 OG SER A 18 -12.193 2.114 -3.291 1.00 0.00 O ATOM 0 H SER A 18 -12.989 3.998 -4.569 1.00 0.00 H new ATOM 0 HA SER A 18 -10.296 3.706 -4.404 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.254 1.535 -5.265 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.716 1.287 -4.462 1.00 0.00 H new ATOM 0 HG SER A 18 -12.499 1.237 -2.980 1.00 0.00 H new ATOM 260 N GLN A 19 -9.162 3.396 -6.570 1.00 0.00 N ATOM 261 CA GLN A 19 -8.464 3.272 -7.844 1.00 0.00 C ATOM 262 C GLN A 19 -7.506 2.085 -7.827 1.00 0.00 C ATOM 263 O GLN A 19 -6.946 1.741 -6.786 1.00 0.00 O ATOM 264 CB GLN A 19 -7.696 4.558 -8.156 1.00 0.00 C ATOM 265 CG GLN A 19 -7.222 4.648 -9.598 1.00 0.00 C ATOM 266 CD GLN A 19 -8.292 5.178 -10.532 1.00 0.00 C ATOM 267 OE1 GLN A 19 -8.979 6.151 -10.219 1.00 0.00 O ATOM 268 NE2 GLN A 19 -8.440 4.540 -11.687 1.00 0.00 N ATOM 0 H GLN A 19 -8.569 3.677 -5.789 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.208 3.104 -8.622 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.334 5.414 -7.938 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.833 4.626 -7.494 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.347 5.296 -9.649 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.907 3.660 -9.935 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.849 3.738 -11.906 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.145 4.852 -12.355 1.00 0.00 H new ATOM 277 N LYS A 20 -7.324 1.462 -8.986 1.00 0.00 N ATOM 278 CA LYS A 20 -6.434 0.314 -9.106 1.00 0.00 C ATOM 279 C LYS A 20 -5.018 0.757 -9.460 1.00 0.00 C ATOM 280 O LYS A 20 -4.790 1.365 -10.506 1.00 0.00 O ATOM 281 CB LYS A 20 -6.957 -0.654 -10.170 1.00 0.00 C ATOM 282 CG LYS A 20 -6.215 -1.979 -10.204 1.00 0.00 C ATOM 283 CD LYS A 20 -7.068 -3.079 -10.814 1.00 0.00 C ATOM 284 CE LYS A 20 -6.343 -4.417 -10.802 1.00 0.00 C ATOM 285 NZ LYS A 20 -6.495 -5.119 -9.497 1.00 0.00 N ATOM 0 H LYS A 20 -7.782 1.733 -9.856 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.407 -0.194 -8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.015 -0.844 -9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.882 -0.180 -11.149 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.296 -1.868 -10.780 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.925 -2.261 -9.192 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.003 -3.165 -10.260 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.328 -2.814 -11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.732 -5.048 -11.601 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.284 -4.258 -11.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.584 -6.142 -9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.660 -4.935 -8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.347 -4.771 -9.013 1.00 0.00 H new ATOM 299 N CYS A 21 -4.069 0.449 -8.582 1.00 0.00 N ATOM 300 CA CYS A 21 -2.675 0.814 -8.801 1.00 0.00 C ATOM 301 C CYS A 21 -2.163 0.240 -10.119 1.00 0.00 C ATOM 302 O CYS A 21 -2.751 -0.687 -10.674 1.00 0.00 O ATOM 303 CB CYS A 21 -1.807 0.316 -7.644 1.00 0.00 C ATOM 304 SG CYS A 21 -0.059 0.814 -7.758 1.00 0.00 S ATOM 0 H CYS A 21 -4.241 -0.053 -7.711 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.614 1.901 -8.850 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.220 0.690 -6.707 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.862 -0.772 -7.605 1.00 0.00 H new ATOM 309 N SER A 22 -1.063 0.799 -10.614 1.00 0.00 N ATOM 310 CA SER A 22 -0.473 0.346 -11.868 1.00 0.00 C ATOM 311 C SER A 22 0.815 -0.431 -11.613 1.00 0.00 C ATOM 312 O SER A 22 1.136 -1.377 -12.332 1.00 0.00 O ATOM 313 CB SER A 22 -0.190 1.538 -12.783 1.00 0.00 C ATOM 314 OG SER A 22 1.112 2.053 -12.563 1.00 0.00 O ATOM 0 H SER A 22 -0.563 1.566 -10.166 1.00 0.00 H new ATOM 0 HA SER A 22 -1.186 -0.317 -12.358 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.293 1.233 -13.824 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.928 2.320 -12.606 1.00 0.00 H new ATOM 0 HG SER A 22 1.392 2.578 -13.342 1.00 0.00 H new ATOM 320 N LYS A 23 1.550 -0.024 -10.584 1.00 0.00 N ATOM 321 CA LYS A 23 2.803 -0.680 -10.231 1.00 0.00 C ATOM 322 C LYS A 23 2.553 -2.104 -9.742 1.00 0.00 C ATOM 323 O LYS A 23 2.958 -3.072 -10.385 1.00 0.00 O ATOM 324 CB LYS A 23 3.535 0.120 -9.151 1.00 0.00 C ATOM 325 CG LYS A 23 4.797 -0.557 -8.643 1.00 0.00 C ATOM 326 CD LYS A 23 6.021 -0.113 -9.425 1.00 0.00 C ATOM 327 CE LYS A 23 7.308 -0.484 -8.704 1.00 0.00 C ATOM 328 NZ LYS A 23 7.736 0.577 -7.752 1.00 0.00 N ATOM 0 H LYS A 23 1.299 0.758 -9.979 1.00 0.00 H new ATOM 0 HA LYS A 23 3.425 -0.725 -11.125 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.794 1.101 -9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.859 0.286 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.935 -0.326 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.687 -1.639 -8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.010 -0.574 -10.413 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.986 0.966 -9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.165 -1.420 -8.164 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.098 -0.655 -9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.616 0.286 -7.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.897 1.464 -8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.994 0.723 -7.038 1.00 0.00 H new ATOM 342 N CYS A 24 1.881 -2.223 -8.601 1.00 0.00 N ATOM 343 CA CYS A 24 1.576 -3.528 -8.027 1.00 0.00 C ATOM 344 C CYS A 24 0.196 -4.008 -8.469 1.00 0.00 C ATOM 345 O CYS A 24 0.024 -5.162 -8.859 1.00 0.00 O ATOM 346 CB CYS A 24 1.640 -3.463 -6.500 1.00 0.00 C ATOM 347 SG CYS A 24 0.219 -2.621 -5.731 1.00 0.00 S ATOM 0 H CYS A 24 1.538 -1.432 -8.056 1.00 0.00 H new ATOM 0 HA CYS A 24 2.321 -4.239 -8.386 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.704 -4.477 -6.106 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.555 -2.949 -6.207 1.00 0.00 H new ATOM 352 N GLY A 25 -0.784 -3.112 -8.406 1.00 0.00 N ATOM 353 CA GLY A 25 -2.135 -3.462 -8.802 1.00 0.00 C ATOM 354 C GLY A 25 -3.040 -3.721 -7.614 1.00 0.00 C ATOM 355 O GLY A 25 -3.917 -4.583 -7.670 1.00 0.00 O ATOM 0 H GLY A 25 -0.666 -2.150 -8.088 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.554 -2.656 -9.405 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.106 -4.350 -9.433 1.00 0.00 H new ATOM 359 N ILE A 26 -2.826 -2.974 -6.536 1.00 0.00 N ATOM 360 CA ILE A 26 -3.629 -3.128 -5.329 1.00 0.00 C ATOM 361 C ILE A 26 -4.763 -2.109 -5.290 1.00 0.00 C ATOM 362 O ILE A 26 -4.698 -1.068 -5.944 1.00 0.00 O ATOM 363 CB ILE A 26 -2.772 -2.975 -4.059 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.538 -3.482 -2.836 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.362 -1.522 -3.869 1.00 0.00 C ATOM 366 CD1 ILE A 26 -2.712 -3.494 -1.568 1.00 0.00 C ATOM 0 H ILE A 26 -2.104 -2.256 -6.474 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.048 -4.134 -5.355 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.869 -3.575 -4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.416 -2.855 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.898 -4.491 -3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.757 -1.430 -2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.782 -1.192 -4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.253 -0.902 -3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.319 -3.865 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.847 -4.144 -1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.374 -2.482 -1.344 1.00 0.00 H new ATOM 378 N ILE A 27 -5.799 -2.415 -4.517 1.00 0.00 N ATOM 379 CA ILE A 27 -6.946 -1.524 -4.389 1.00 0.00 C ATOM 380 C ILE A 27 -6.733 -0.511 -3.270 1.00 0.00 C ATOM 381 O ILE A 27 -6.597 -0.878 -2.103 1.00 0.00 O ATOM 382 CB ILE A 27 -8.242 -2.310 -4.115 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.531 -3.276 -5.266 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.408 -1.355 -3.912 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.652 -2.595 -6.611 1.00 0.00 C ATOM 0 H ILE A 27 -5.868 -3.273 -3.970 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.044 -0.998 -5.338 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.111 -2.891 -3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.735 -4.019 -5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.456 -3.813 -5.055 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.316 -1.926 -3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.201 -0.704 -3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.543 -0.750 -4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.857 -3.341 -7.379 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.467 -1.872 -6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.719 -2.081 -6.844 1.00 0.00 H new ATOM 397 N PHE A 28 -6.707 0.767 -3.633 1.00 0.00 N ATOM 398 CA PHE A 28 -6.512 1.835 -2.660 1.00 0.00 C ATOM 399 C PHE A 28 -7.402 3.033 -2.980 1.00 0.00 C ATOM 400 O PHE A 28 -7.721 3.289 -4.141 1.00 0.00 O ATOM 401 CB PHE A 28 -5.044 2.269 -2.634 1.00 0.00 C ATOM 402 CG PHE A 28 -4.622 3.026 -3.861 1.00 0.00 C ATOM 403 CD1 PHE A 28 -4.150 2.354 -4.977 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.695 4.409 -3.897 1.00 0.00 C ATOM 405 CE1 PHE A 28 -3.761 3.048 -6.108 1.00 0.00 C ATOM 406 CE2 PHE A 28 -4.308 5.108 -5.025 1.00 0.00 C ATOM 407 CZ PHE A 28 -3.838 4.426 -6.131 1.00 0.00 C ATOM 0 H PHE A 28 -6.819 1.088 -4.595 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.788 1.452 -1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.873 2.891 -1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.414 1.386 -2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.085 1.276 -4.963 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.058 4.947 -3.034 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.397 2.512 -6.972 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.373 6.186 -5.042 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.531 4.970 -7.012 1.00 0.00 H new ATOM 417 N ILE A 29 -7.799 3.761 -1.942 1.00 0.00 N ATOM 418 CA ILE A 29 -8.652 4.931 -2.112 1.00 0.00 C ATOM 419 C ILE A 29 -7.823 6.179 -2.392 1.00 0.00 C ATOM 420 O ILE A 29 -6.791 6.407 -1.759 1.00 0.00 O ATOM 421 CB ILE A 29 -9.525 5.176 -0.867 1.00 0.00 C ATOM 422 CG1 ILE A 29 -10.408 3.958 -0.588 1.00 0.00 C ATOM 423 CG2 ILE A 29 -10.378 6.422 -1.056 1.00 0.00 C ATOM 424 CD1 ILE A 29 -9.723 2.893 0.239 1.00 0.00 C ATOM 0 H ILE A 29 -7.544 3.562 -0.975 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.299 4.729 -2.965 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.872 5.332 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.310 4.284 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.724 3.523 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.990 6.582 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.731 7.285 -1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.025 6.292 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.407 2.060 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.836 2.539 -0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.431 3.312 1.202 1.00 0.00 H new ATOM 436 N ARG A 30 -8.281 6.987 -3.343 1.00 0.00 N ATOM 437 CA ARG A 30 -7.582 8.213 -3.706 1.00 0.00 C ATOM 438 C ARG A 30 -8.552 9.389 -3.785 1.00 0.00 C ATOM 439 O ARG A 30 -9.574 9.318 -4.468 1.00 0.00 O ATOM 440 CB ARG A 30 -6.865 8.039 -5.046 1.00 0.00 C ATOM 441 CG ARG A 30 -7.755 7.481 -6.145 1.00 0.00 C ATOM 442 CD ARG A 30 -7.248 7.872 -7.524 1.00 0.00 C ATOM 443 NE ARG A 30 -7.436 9.296 -7.793 1.00 0.00 N ATOM 444 CZ ARG A 30 -8.562 9.810 -8.275 1.00 0.00 C ATOM 445 NH1 ARG A 30 -9.595 9.022 -8.540 1.00 0.00 N ATOM 446 NH2 ARG A 30 -8.656 11.116 -8.493 1.00 0.00 N ATOM 0 H ARG A 30 -9.133 6.814 -3.876 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.844 8.424 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.470 9.003 -5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.012 7.375 -4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.796 6.395 -6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.773 7.849 -6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.190 7.624 -7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.771 7.288 -8.281 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.660 9.930 -7.600 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.526 8.018 -8.374 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.458 9.420 -8.910 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.863 11.725 -8.290 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.521 11.510 -8.863 1.00 0.00 H new ATOM 460 N ARG A 31 -8.225 10.468 -3.082 1.00 0.00 N ATOM 461 CA ARG A 31 -9.067 11.657 -3.071 1.00 0.00 C ATOM 462 C ARG A 31 -8.431 12.782 -3.883 1.00 0.00 C ATOM 463 O ARG A 31 -8.986 13.228 -4.887 1.00 0.00 O ATOM 464 CB ARG A 31 -9.309 12.125 -1.635 1.00 0.00 C ATOM 465 CG ARG A 31 -10.632 12.847 -1.443 1.00 0.00 C ATOM 466 CD ARG A 31 -10.696 14.121 -2.270 1.00 0.00 C ATOM 467 NE ARG A 31 -12.033 14.709 -2.267 1.00 0.00 N ATOM 468 CZ ARG A 31 -12.495 15.488 -3.239 1.00 0.00 C ATOM 469 NH1 ARG A 31 -11.732 15.772 -4.285 1.00 0.00 N ATOM 470 NH2 ARG A 31 -13.723 15.985 -3.165 1.00 0.00 N ATOM 0 H ARG A 31 -7.382 10.543 -2.512 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.022 11.398 -3.527 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.277 11.262 -0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.497 12.788 -1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.452 12.187 -1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.766 13.089 -0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.981 14.844 -1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.398 13.903 -3.296 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.645 14.511 -1.476 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.787 15.392 -4.345 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.090 16.370 -5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.313 15.769 -2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.077 16.583 -3.912 1.00 0.00 H new ATOM 484 N SER A 32 -7.263 13.236 -3.440 1.00 0.00 N ATOM 485 CA SER A 32 -6.553 14.311 -4.123 1.00 0.00 C ATOM 486 C SER A 32 -5.043 14.113 -4.025 1.00 0.00 C ATOM 487 O SER A 32 -4.549 13.448 -3.114 1.00 0.00 O ATOM 488 CB SER A 32 -6.940 15.666 -3.527 1.00 0.00 C ATOM 489 OG SER A 32 -8.299 15.969 -3.790 1.00 0.00 O ATOM 0 H SER A 32 -6.789 12.876 -2.612 1.00 0.00 H new ATOM 0 HA SER A 32 -6.838 14.290 -5.175 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.768 15.656 -2.451 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.303 16.446 -3.944 1.00 0.00 H new ATOM 0 HG SER A 32 -8.522 16.839 -3.398 1.00 0.00 H new ATOM 495 N THR A 33 -4.313 14.696 -4.972 1.00 0.00 N ATOM 496 CA THR A 33 -2.860 14.583 -4.994 1.00 0.00 C ATOM 497 C THR A 33 -2.210 15.925 -5.310 1.00 0.00 C ATOM 498 O THR A 33 -2.896 16.906 -5.600 1.00 0.00 O ATOM 499 CB THR A 33 -2.394 13.543 -6.030 1.00 0.00 C ATOM 500 OG1 THR A 33 -3.069 13.755 -7.275 1.00 0.00 O ATOM 501 CG2 THR A 33 -2.662 12.129 -5.536 1.00 0.00 C ATOM 0 H THR A 33 -4.705 15.251 -5.733 1.00 0.00 H new ATOM 0 HA THR A 33 -2.552 14.258 -4.000 1.00 0.00 H new ATOM 0 HB THR A 33 -1.320 13.663 -6.175 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.766 13.091 -7.929 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.325 11.412 -6.284 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.123 11.961 -4.604 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.731 12.000 -5.366 1.00 0.00 H new ATOM 509 N LEU A 34 -0.883 15.962 -5.253 1.00 0.00 N ATOM 510 CA LEU A 34 -0.139 17.185 -5.534 1.00 0.00 C ATOM 511 C LEU A 34 0.641 17.060 -6.839 1.00 0.00 C ATOM 512 O LEU A 34 1.605 17.790 -7.070 1.00 0.00 O ATOM 513 CB LEU A 34 0.817 17.499 -4.383 1.00 0.00 C ATOM 514 CG LEU A 34 1.981 16.526 -4.192 1.00 0.00 C ATOM 515 CD1 LEU A 34 3.184 17.242 -3.597 1.00 0.00 C ATOM 516 CD2 LEU A 34 1.562 15.359 -3.310 1.00 0.00 C ATOM 0 H LEU A 34 -0.300 15.159 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.854 18.001 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.226 18.497 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.241 17.532 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 34 2.265 16.133 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.002 16.533 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.499 18.042 -4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.914 17.664 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.403 14.677 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.251 15.733 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.732 14.829 -3.777 1.00 0.00 H new ATOM 528 N SER A 35 0.216 16.132 -7.690 1.00 0.00 N ATOM 529 CA SER A 35 0.876 15.910 -8.972 1.00 0.00 C ATOM 530 C SER A 35 -0.059 16.248 -10.129 1.00 0.00 C ATOM 531 O SER A 35 -1.195 16.673 -9.920 1.00 0.00 O ATOM 532 CB SER A 35 1.341 14.457 -9.085 1.00 0.00 C ATOM 533 OG SER A 35 0.257 13.560 -8.918 1.00 0.00 O ATOM 0 H SER A 35 -0.582 15.522 -7.515 1.00 0.00 H new ATOM 0 HA SER A 35 1.744 16.567 -9.025 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.805 14.295 -10.058 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.103 14.256 -8.332 1.00 0.00 H new ATOM 0 HG SER A 35 0.582 12.723 -8.526 1.00 0.00 H new ATOM 539 N ARG A 36 0.430 16.057 -11.350 1.00 0.00 N ATOM 540 CA ARG A 36 -0.360 16.343 -12.542 1.00 0.00 C ATOM 541 C ARG A 36 -0.588 15.075 -13.360 1.00 0.00 C ATOM 542 O ARG A 36 0.281 14.653 -14.124 1.00 0.00 O ATOM 543 CB ARG A 36 0.338 17.399 -13.402 1.00 0.00 C ATOM 544 CG ARG A 36 0.421 18.765 -12.740 1.00 0.00 C ATOM 545 CD ARG A 36 -0.866 19.553 -12.926 1.00 0.00 C ATOM 546 NE ARG A 36 -0.708 20.955 -12.548 1.00 0.00 N ATOM 547 CZ ARG A 36 -0.742 21.386 -11.292 1.00 0.00 C ATOM 548 NH1 ARG A 36 -0.926 20.528 -10.298 1.00 0.00 N ATOM 549 NH2 ARG A 36 -0.590 22.678 -11.029 1.00 0.00 N ATOM 0 H ARG A 36 1.369 15.706 -11.540 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.328 16.728 -12.222 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.346 17.056 -13.637 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.194 17.495 -14.348 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.624 18.643 -11.676 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.256 19.325 -13.162 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.182 19.492 -13.968 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.657 19.103 -12.326 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.564 21.641 -13.289 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.042 19.534 -10.497 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.952 20.862 -9.334 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.447 23.340 -11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.616 23.009 -10.064 1.00 0.00 H new ATOM 563 N ARG A 37 -1.761 14.473 -13.195 1.00 0.00 N ATOM 564 CA ARG A 37 -2.102 13.253 -13.916 1.00 0.00 C ATOM 565 C ARG A 37 -1.010 12.200 -13.751 1.00 0.00 C ATOM 566 O ARG A 37 -0.626 11.532 -14.711 1.00 0.00 O ATOM 567 CB ARG A 37 -2.313 13.555 -15.401 1.00 0.00 C ATOM 568 CG ARG A 37 -3.590 14.328 -15.689 1.00 0.00 C ATOM 569 CD ARG A 37 -4.790 13.399 -15.799 1.00 0.00 C ATOM 570 NE ARG A 37 -5.377 13.107 -14.494 1.00 0.00 N ATOM 571 CZ ARG A 37 -6.440 12.329 -14.324 1.00 0.00 C ATOM 572 NH1 ARG A 37 -7.029 11.767 -15.370 1.00 0.00 N ATOM 573 NH2 ARG A 37 -6.915 12.111 -13.104 1.00 0.00 N ATOM 0 H ARG A 37 -2.491 14.810 -12.568 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.028 12.860 -13.496 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.461 14.125 -15.772 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.334 12.616 -15.955 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.763 15.056 -14.896 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.476 14.889 -16.617 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.543 13.854 -16.442 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.485 12.468 -16.276 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.947 13.523 -13.668 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.666 11.931 -16.309 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.845 11.170 -15.236 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.464 12.541 -12.297 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.731 11.514 -12.974 1.00 0.00 H new ATOM 587 N LYS A 38 -0.512 12.059 -12.527 1.00 0.00 N ATOM 588 CA LYS A 38 0.535 11.087 -12.235 1.00 0.00 C ATOM 589 C LYS A 38 -0.040 9.678 -12.142 1.00 0.00 C ATOM 590 O LYS A 38 -1.157 9.482 -11.663 1.00 0.00 O ATOM 591 CB LYS A 38 1.242 11.448 -10.926 1.00 0.00 C ATOM 592 CG LYS A 38 2.654 10.897 -10.826 1.00 0.00 C ATOM 593 CD LYS A 38 2.666 9.499 -10.229 1.00 0.00 C ATOM 594 CE LYS A 38 2.471 9.535 -8.721 1.00 0.00 C ATOM 595 NZ LYS A 38 3.668 10.077 -8.020 1.00 0.00 N ATOM 0 H LYS A 38 -0.817 12.606 -11.721 1.00 0.00 H new ATOM 0 HA LYS A 38 1.257 11.112 -13.051 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.277 12.533 -10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.654 11.071 -10.089 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.108 10.874 -11.817 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.262 11.561 -10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.877 8.901 -10.685 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.612 9.010 -10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.602 10.147 -8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.262 8.529 -8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.615 9.840 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.528 9.659 -8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.698 11.110 -8.132 1.00 0.00 H new ATOM 609 N THR A 39 0.731 8.697 -12.603 1.00 0.00 N ATOM 610 CA THR A 39 0.298 7.306 -12.571 1.00 0.00 C ATOM 611 C THR A 39 -0.290 6.943 -11.213 1.00 0.00 C ATOM 612 O THR A 39 0.190 7.379 -10.166 1.00 0.00 O ATOM 613 CB THR A 39 1.463 6.348 -12.886 1.00 0.00 C ATOM 614 OG1 THR A 39 0.964 5.158 -13.507 1.00 0.00 O ATOM 615 CG2 THR A 39 2.223 5.986 -11.619 1.00 0.00 C ATOM 0 H THR A 39 1.658 8.841 -13.003 1.00 0.00 H new ATOM 0 HA THR A 39 -0.470 7.197 -13.336 1.00 0.00 H new ATOM 0 HB THR A 39 2.147 6.853 -13.568 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.711 4.555 -13.705 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.041 5.309 -11.866 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.626 6.891 -11.165 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.548 5.498 -10.916 1.00 0.00 H new ATOM 623 N PRO A 40 -1.353 6.126 -11.226 1.00 0.00 N ATOM 624 CA PRO A 40 -2.029 5.686 -10.002 1.00 0.00 C ATOM 625 C PRO A 40 -1.176 4.722 -9.184 1.00 0.00 C ATOM 626 O PRO A 40 -1.085 3.537 -9.500 1.00 0.00 O ATOM 627 CB PRO A 40 -3.282 4.979 -10.523 1.00 0.00 C ATOM 628 CG PRO A 40 -2.920 4.529 -11.897 1.00 0.00 C ATOM 629 CD PRO A 40 -1.978 5.569 -12.438 1.00 0.00 C ATOM 0 HA PRO A 40 -2.240 6.519 -9.331 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.553 4.135 -9.889 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.139 5.653 -10.540 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.446 3.548 -11.874 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.806 4.441 -12.525 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.237 5.131 -13.107 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.507 6.335 -13.005 1.00 0.00 H new ATOM 637 N MET A 41 -0.553 5.240 -8.129 1.00 0.00 N ATOM 638 CA MET A 41 0.291 4.424 -7.265 1.00 0.00 C ATOM 639 C MET A 41 -0.290 4.343 -5.857 1.00 0.00 C ATOM 640 O MET A 41 -0.704 5.352 -5.286 1.00 0.00 O ATOM 641 CB MET A 41 1.709 4.997 -7.212 1.00 0.00 C ATOM 642 CG MET A 41 2.518 4.736 -8.472 1.00 0.00 C ATOM 643 SD MET A 41 4.295 4.749 -8.171 1.00 0.00 S ATOM 644 CE MET A 41 4.765 3.158 -8.846 1.00 0.00 C ATOM 0 H MET A 41 -0.617 6.220 -7.853 1.00 0.00 H new ATOM 0 HA MET A 41 0.329 3.418 -7.682 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.651 6.072 -7.044 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.234 4.568 -6.358 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.231 3.771 -8.890 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.274 5.492 -9.219 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.851 3.070 -8.847 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.337 2.363 -8.235 1.00 0.00 H new ATOM 0 HE3 MET A 41 4.393 3.071 -9.867 1.00 0.00 H new ATOM 654 N CYS A 42 -0.319 3.136 -5.302 1.00 0.00 N ATOM 655 CA CYS A 42 -0.851 2.922 -3.961 1.00 0.00 C ATOM 656 C CYS A 42 0.174 3.316 -2.901 1.00 0.00 C ATOM 657 O CYS A 42 1.379 3.181 -3.109 1.00 0.00 O ATOM 658 CB CYS A 42 -1.255 1.458 -3.777 1.00 0.00 C ATOM 659 SG CYS A 42 0.145 0.293 -3.795 1.00 0.00 S ATOM 0 H CYS A 42 0.020 2.290 -5.761 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.732 3.552 -3.842 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.787 1.355 -2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.953 1.183 -4.567 1.00 0.00 H new ATOM 664 N GLU A 43 -0.315 3.802 -1.765 1.00 0.00 N ATOM 665 CA GLU A 43 0.558 4.216 -0.673 1.00 0.00 C ATOM 666 C GLU A 43 1.828 3.370 -0.642 1.00 0.00 C ATOM 667 O GLU A 43 2.939 3.898 -0.603 1.00 0.00 O ATOM 668 CB GLU A 43 -0.175 4.105 0.666 1.00 0.00 C ATOM 669 CG GLU A 43 -1.147 5.244 0.923 1.00 0.00 C ATOM 670 CD GLU A 43 -1.873 5.686 -0.333 1.00 0.00 C ATOM 671 OE1 GLU A 43 -2.921 5.087 -0.654 1.00 0.00 O ATOM 672 OE2 GLU A 43 -1.394 6.630 -0.995 1.00 0.00 O ATOM 0 H GLU A 43 -1.311 3.919 -1.577 1.00 0.00 H new ATOM 0 HA GLU A 43 0.838 5.256 -0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.719 3.161 0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.559 4.076 1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.877 4.932 1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.605 6.092 1.342 1.00 0.00 H new ATOM 679 N LYS A 44 1.654 2.052 -0.658 1.00 0.00 N ATOM 680 CA LYS A 44 2.784 1.131 -0.632 1.00 0.00 C ATOM 681 C LYS A 44 3.824 1.516 -1.679 1.00 0.00 C ATOM 682 O LYS A 44 4.984 1.770 -1.353 1.00 0.00 O ATOM 683 CB LYS A 44 2.305 -0.302 -0.876 1.00 0.00 C ATOM 684 CG LYS A 44 3.437 -1.300 -1.051 1.00 0.00 C ATOM 685 CD LYS A 44 4.187 -1.528 0.250 1.00 0.00 C ATOM 686 CE LYS A 44 5.383 -2.446 0.052 1.00 0.00 C ATOM 687 NZ LYS A 44 5.915 -2.952 1.347 1.00 0.00 N ATOM 0 H LYS A 44 0.741 1.598 -0.689 1.00 0.00 H new ATOM 0 HA LYS A 44 3.247 1.190 0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.682 -0.615 -0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.676 -0.319 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.035 -2.247 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.128 -0.937 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.524 -0.571 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.513 -1.962 0.988 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.094 -3.289 -0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.169 -1.909 -0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.729 -3.574 1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.215 -2.149 1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.173 -3.487 1.842 1.00 0.00 H new ATOM 701 N CYS A 45 3.402 1.557 -2.938 1.00 0.00 N ATOM 702 CA CYS A 45 4.296 1.912 -4.034 1.00 0.00 C ATOM 703 C CYS A 45 4.775 3.355 -3.900 1.00 0.00 C ATOM 704 O CYS A 45 5.972 3.632 -3.976 1.00 0.00 O ATOM 705 CB CYS A 45 3.590 1.720 -5.378 1.00 0.00 C ATOM 706 SG CYS A 45 3.148 -0.008 -5.745 1.00 0.00 S ATOM 0 H CYS A 45 2.446 1.349 -3.225 1.00 0.00 H new ATOM 0 HA CYS A 45 5.164 1.254 -3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.684 2.326 -5.390 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.235 2.095 -6.172 1.00 0.00 H new ATOM 711 N ARG A 46 3.831 4.269 -3.699 1.00 0.00 N ATOM 712 CA ARG A 46 4.156 5.683 -3.555 1.00 0.00 C ATOM 713 C ARG A 46 5.375 5.872 -2.657 1.00 0.00 C ATOM 714 O ARG A 46 6.219 6.733 -2.909 1.00 0.00 O ATOM 715 CB ARG A 46 2.962 6.447 -2.979 1.00 0.00 C ATOM 716 CG ARG A 46 1.771 6.514 -3.921 1.00 0.00 C ATOM 717 CD ARG A 46 0.824 7.642 -3.542 1.00 0.00 C ATOM 718 NE ARG A 46 1.332 8.946 -3.960 1.00 0.00 N ATOM 719 CZ ARG A 46 0.860 10.100 -3.502 1.00 0.00 C ATOM 720 NH1 ARG A 46 -0.126 10.111 -2.615 1.00 0.00 N ATOM 721 NH2 ARG A 46 1.374 11.245 -3.930 1.00 0.00 N ATOM 0 H ARG A 46 2.836 4.056 -3.632 1.00 0.00 H new ATOM 0 HA ARG A 46 4.389 6.079 -4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.652 5.972 -2.048 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.276 7.461 -2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.122 6.660 -4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.235 5.565 -3.900 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.149 7.468 -4.001 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.672 7.641 -2.463 1.00 0.00 H new ATOM 0 HE ARG A 46 2.091 8.972 -4.641 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.523 9.232 -2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.487 10.998 -2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.133 11.240 -4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.011 12.131 -3.578 1.00 0.00 H new ATOM 735 N LYS A 47 5.462 5.062 -1.608 1.00 0.00 N ATOM 736 CA LYS A 47 6.577 5.137 -0.671 1.00 0.00 C ATOM 737 C LYS A 47 7.834 4.513 -1.270 1.00 0.00 C ATOM 738 O LYS A 47 8.911 5.107 -1.233 1.00 0.00 O ATOM 739 CB LYS A 47 6.219 4.432 0.639 1.00 0.00 C ATOM 740 CG LYS A 47 5.185 5.176 1.466 1.00 0.00 C ATOM 741 CD LYS A 47 5.220 4.743 2.923 1.00 0.00 C ATOM 742 CE LYS A 47 4.801 3.289 3.082 1.00 0.00 C ATOM 743 NZ LYS A 47 3.358 3.091 2.773 1.00 0.00 N ATOM 0 H LYS A 47 4.772 4.344 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 47 6.777 6.189 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.843 3.434 0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.124 4.305 1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.368 6.249 1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.191 4.996 1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.226 4.878 3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.558 5.380 3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.403 2.663 2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.002 2.963 4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.067 2.137 3.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.793 3.799 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.204 3.198 1.750 1.00 0.00 H new ATOM 757 N ASP A 48 7.687 3.314 -1.822 1.00 0.00 N ATOM 758 CA ASP A 48 8.810 2.610 -2.431 1.00 0.00 C ATOM 759 C ASP A 48 9.711 3.579 -3.190 1.00 0.00 C ATOM 760 O ASP A 48 10.910 3.664 -2.925 1.00 0.00 O ATOM 761 CB ASP A 48 8.303 1.519 -3.376 1.00 0.00 C ATOM 762 CG ASP A 48 7.876 0.266 -2.637 1.00 0.00 C ATOM 763 OD1 ASP A 48 8.729 -0.623 -2.433 1.00 0.00 O ATOM 764 OD2 ASP A 48 6.687 0.174 -2.263 1.00 0.00 O ATOM 0 H ASP A 48 6.802 2.809 -1.861 1.00 0.00 H new ATOM 0 HA ASP A 48 9.393 2.148 -1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.460 1.903 -3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.087 1.267 -4.090 1.00 0.00 H new ATOM 769 N SER A 49 9.126 4.306 -4.136 1.00 0.00 N ATOM 770 CA SER A 49 9.877 5.266 -4.937 1.00 0.00 C ATOM 771 C SER A 49 11.139 4.626 -5.509 1.00 0.00 C ATOM 772 O SER A 49 12.223 5.208 -5.452 1.00 0.00 O ATOM 773 CB SER A 49 10.248 6.487 -4.094 1.00 0.00 C ATOM 774 OG SER A 49 10.369 7.646 -4.900 1.00 0.00 O ATOM 0 H SER A 49 8.134 4.249 -4.367 1.00 0.00 H new ATOM 0 HA SER A 49 9.244 5.585 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.488 6.650 -3.330 1.00 0.00 H new ATOM 0 HB3 SER A 49 11.188 6.302 -3.574 1.00 0.00 H new ATOM 0 HG SER A 49 10.605 8.413 -4.337 1.00 0.00 H new ATOM 780 N CYS A 50 10.989 3.426 -6.059 1.00 0.00 N ATOM 781 CA CYS A 50 12.116 2.706 -6.641 1.00 0.00 C ATOM 782 C CYS A 50 12.711 3.482 -7.811 1.00 0.00 C ATOM 783 O CYS A 50 12.192 4.526 -8.204 1.00 0.00 O ATOM 784 CB CYS A 50 11.675 1.317 -7.106 1.00 0.00 C ATOM 785 SG CYS A 50 11.310 0.169 -5.758 1.00 0.00 S ATOM 0 H CYS A 50 10.099 2.931 -6.114 1.00 0.00 H new ATOM 0 HA CYS A 50 12.882 2.598 -5.873 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.788 1.420 -7.732 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.459 0.889 -7.731 1.00 0.00 H new ATOM 0 HG CYS A 50 10.944 -0.977 -6.251 1.00 0.00 H new ATOM 791 N GLN A 51 13.805 2.965 -8.362 1.00 0.00 N ATOM 792 CA GLN A 51 14.472 3.611 -9.486 1.00 0.00 C ATOM 793 C GLN A 51 14.173 2.880 -10.790 1.00 0.00 C ATOM 794 O GLN A 51 14.827 1.892 -11.122 1.00 0.00 O ATOM 795 CB GLN A 51 15.983 3.660 -9.250 1.00 0.00 C ATOM 796 CG GLN A 51 16.681 4.779 -10.006 1.00 0.00 C ATOM 797 CD GLN A 51 17.971 5.217 -9.341 1.00 0.00 C ATOM 798 OE1 GLN A 51 19.012 4.579 -9.499 1.00 0.00 O ATOM 799 NE2 GLN A 51 17.908 6.311 -8.592 1.00 0.00 N ATOM 0 H GLN A 51 14.248 2.101 -8.048 1.00 0.00 H new ATOM 0 HA GLN A 51 14.090 4.629 -9.566 1.00 0.00 H new ATOM 0 HB2 GLN A 51 16.172 3.781 -8.183 1.00 0.00 H new ATOM 0 HB3 GLN A 51 16.420 2.706 -9.545 1.00 0.00 H new ATOM 0 HG2 GLN A 51 16.895 4.447 -11.022 1.00 0.00 H new ATOM 0 HG3 GLN A 51 16.009 5.634 -10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 51 17.023 6.808 -8.489 1.00 0.00 H new ATOM 0 HE22 GLN A 51 18.744 6.654 -8.119 1.00 0.00 H new ATOM 808 N GLU A 52 13.181 3.373 -11.525 1.00 0.00 N ATOM 809 CA GLU A 52 12.796 2.764 -12.793 1.00 0.00 C ATOM 810 C GLU A 52 12.394 3.831 -13.809 1.00 0.00 C ATOM 811 O GLU A 52 11.319 4.421 -13.712 1.00 0.00 O ATOM 812 CB GLU A 52 11.640 1.784 -12.583 1.00 0.00 C ATOM 813 CG GLU A 52 12.090 0.387 -12.190 1.00 0.00 C ATOM 814 CD GLU A 52 12.822 -0.327 -13.309 1.00 0.00 C ATOM 815 OE1 GLU A 52 12.554 -0.014 -14.488 1.00 0.00 O ATOM 816 OE2 GLU A 52 13.663 -1.199 -13.006 1.00 0.00 O ATOM 0 H GLU A 52 12.630 4.191 -11.265 1.00 0.00 H new ATOM 0 HA GLU A 52 13.657 2.221 -13.183 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.979 2.175 -11.809 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.055 1.723 -13.501 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.741 0.451 -11.318 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.221 -0.201 -11.896 1.00 0.00 H new ATOM 823 N ALA A 53 13.268 4.071 -14.781 1.00 0.00 N ATOM 824 CA ALA A 53 13.005 5.065 -15.815 1.00 0.00 C ATOM 825 C ALA A 53 12.261 4.446 -16.994 1.00 0.00 C ATOM 826 O ALA A 53 12.863 4.109 -18.013 1.00 0.00 O ATOM 827 CB ALA A 53 14.307 5.696 -16.284 1.00 0.00 C ATOM 0 H ALA A 53 14.163 3.591 -14.874 1.00 0.00 H new ATOM 0 HA ALA A 53 12.372 5.841 -15.385 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.095 6.436 -17.056 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.800 6.181 -15.442 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.960 4.924 -16.691 1.00 0.00 H new ATOM 833 N ALA A 54 10.948 4.299 -16.848 1.00 0.00 N ATOM 834 CA ALA A 54 10.122 3.722 -17.901 1.00 0.00 C ATOM 835 C ALA A 54 9.932 4.706 -19.051 1.00 0.00 C ATOM 836 O ALA A 54 10.072 4.345 -20.220 1.00 0.00 O ATOM 837 CB ALA A 54 8.773 3.296 -17.341 1.00 0.00 C ATOM 0 H ALA A 54 10.434 4.572 -16.010 1.00 0.00 H new ATOM 0 HA ALA A 54 10.636 2.843 -18.290 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.167 2.867 -18.139 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.922 2.552 -16.559 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.262 4.164 -16.924 1.00 0.00 H new ATOM 843 N LEU A 55 9.612 5.950 -18.712 1.00 0.00 N ATOM 844 CA LEU A 55 9.402 6.987 -19.716 1.00 0.00 C ATOM 845 C LEU A 55 10.374 6.822 -20.880 1.00 0.00 C ATOM 846 O LEU A 55 11.494 6.344 -20.704 1.00 0.00 O ATOM 847 CB LEU A 55 9.569 8.373 -19.090 1.00 0.00 C ATOM 848 CG LEU A 55 10.998 8.915 -19.032 1.00 0.00 C ATOM 849 CD1 LEU A 55 10.988 10.428 -18.880 1.00 0.00 C ATOM 850 CD2 LEU A 55 11.768 8.268 -17.891 1.00 0.00 C ATOM 0 H LEU A 55 9.492 6.265 -17.749 1.00 0.00 H new ATOM 0 HA LEU A 55 8.386 6.888 -20.098 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.956 9.079 -19.650 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.172 8.342 -18.075 1.00 0.00 H new ATOM 0 HG LEU A 55 11.499 8.667 -19.968 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.013 10.796 -18.840 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.474 10.876 -19.731 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.470 10.698 -17.960 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.783 8.666 -17.865 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.269 8.485 -16.946 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.805 7.189 -18.043 1.00 0.00 H new ATOM 862 N ASN A 56 9.938 7.223 -22.070 1.00 0.00 N ATOM 863 CA ASN A 56 10.770 7.122 -23.263 1.00 0.00 C ATOM 864 C ASN A 56 11.565 8.405 -23.484 1.00 0.00 C ATOM 865 O ASN A 56 12.796 8.399 -23.461 1.00 0.00 O ATOM 866 CB ASN A 56 9.905 6.827 -24.490 1.00 0.00 C ATOM 867 CG ASN A 56 8.554 7.512 -24.423 1.00 0.00 C ATOM 868 OD1 ASN A 56 7.713 7.170 -23.592 1.00 0.00 O ATOM 869 ND2 ASN A 56 8.340 8.486 -25.300 1.00 0.00 N ATOM 0 H ASN A 56 9.013 7.621 -22.233 1.00 0.00 H new ATOM 0 HA ASN A 56 11.473 6.302 -23.116 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.430 7.152 -25.388 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.759 5.750 -24.578 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.450 8.984 -25.302 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.066 8.736 -25.971 1.00 0.00 H new ATOM 876 N LYS A 57 10.852 9.506 -23.696 1.00 0.00 N ATOM 877 CA LYS A 57 11.489 10.799 -23.919 1.00 0.00 C ATOM 878 C LYS A 57 11.480 11.637 -22.644 1.00 0.00 C ATOM 879 O LYS A 57 10.477 11.691 -21.932 1.00 0.00 O ATOM 880 CB LYS A 57 10.776 11.555 -25.043 1.00 0.00 C ATOM 881 CG LYS A 57 10.857 10.859 -26.390 1.00 0.00 C ATOM 882 CD LYS A 57 9.914 11.490 -27.401 1.00 0.00 C ATOM 883 CE LYS A 57 10.562 12.672 -28.106 1.00 0.00 C ATOM 884 NZ LYS A 57 10.324 13.950 -27.380 1.00 0.00 N ATOM 0 H LYS A 57 9.832 9.529 -23.718 1.00 0.00 H new ATOM 0 HA LYS A 57 12.524 10.620 -24.209 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.728 11.686 -24.774 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.209 12.551 -25.131 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.879 10.908 -26.765 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.611 9.804 -26.271 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.617 10.744 -28.138 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.006 11.819 -26.897 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.635 12.499 -28.194 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.168 12.751 -29.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.336 14.741 -28.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.399 13.913 -26.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.071 14.090 -26.670 1.00 0.00 H new ATOM 898 N ASP A 58 12.603 12.288 -22.362 1.00 0.00 N ATOM 899 CA ASP A 58 12.724 13.125 -21.174 1.00 0.00 C ATOM 900 C ASP A 58 12.798 14.601 -21.554 1.00 0.00 C ATOM 901 O ASP A 58 13.731 15.031 -22.231 1.00 0.00 O ATOM 902 CB ASP A 58 13.963 12.730 -20.370 1.00 0.00 C ATOM 903 CG ASP A 58 15.166 12.464 -21.254 1.00 0.00 C ATOM 904 OD1 ASP A 58 15.914 13.421 -21.542 1.00 0.00 O ATOM 905 OD2 ASP A 58 15.359 11.298 -21.656 1.00 0.00 O ATOM 0 H ASP A 58 13.443 12.252 -22.940 1.00 0.00 H new ATOM 0 HA ASP A 58 11.837 12.971 -20.559 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.203 13.525 -19.664 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.743 11.838 -19.783 1.00 0.00 H new ATOM 910 N GLU A 59 11.807 15.370 -21.115 1.00 0.00 N ATOM 911 CA GLU A 59 11.759 16.797 -21.411 1.00 0.00 C ATOM 912 C GLU A 59 12.023 17.623 -20.155 1.00 0.00 C ATOM 913 O GLU A 59 12.108 17.085 -19.052 1.00 0.00 O ATOM 914 CB GLU A 59 10.400 17.173 -22.005 1.00 0.00 C ATOM 915 CG GLU A 59 10.341 17.044 -23.518 1.00 0.00 C ATOM 916 CD GLU A 59 10.608 15.630 -23.994 1.00 0.00 C ATOM 917 OE1 GLU A 59 9.692 14.787 -23.889 1.00 0.00 O ATOM 918 OE2 GLU A 59 11.731 15.365 -24.472 1.00 0.00 O ATOM 0 H GLU A 59 11.027 15.029 -20.553 1.00 0.00 H new ATOM 0 HA GLU A 59 12.539 17.016 -22.140 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.632 16.538 -21.564 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.163 18.200 -21.727 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.359 17.362 -23.868 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.072 17.718 -23.965 1.00 0.00 H new ATOM 925 N GLY A 60 12.152 18.934 -20.332 1.00 0.00 N ATOM 926 CA GLY A 60 12.405 19.814 -19.205 1.00 0.00 C ATOM 927 C GLY A 60 11.218 19.913 -18.269 1.00 0.00 C ATOM 928 O GLY A 60 10.468 20.888 -18.308 1.00 0.00 O ATOM 0 H GLY A 60 12.086 19.403 -21.235 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.271 19.451 -18.652 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.657 20.808 -19.574 1.00 0.00 H new ATOM 932 N ASN A 61 11.044 18.900 -17.426 1.00 0.00 N ATOM 933 CA ASN A 61 9.937 18.877 -16.477 1.00 0.00 C ATOM 934 C ASN A 61 10.452 18.832 -15.041 1.00 0.00 C ATOM 935 O ASN A 61 11.444 18.165 -14.749 1.00 0.00 O ATOM 936 CB ASN A 61 9.034 17.671 -16.745 1.00 0.00 C ATOM 937 CG ASN A 61 8.056 17.921 -17.877 1.00 0.00 C ATOM 938 OD1 ASN A 61 7.117 18.705 -17.739 1.00 0.00 O ATOM 939 ND2 ASN A 61 8.273 17.254 -19.004 1.00 0.00 N ATOM 0 H ASN A 61 11.655 18.085 -17.381 1.00 0.00 H new ATOM 0 HA ASN A 61 9.359 19.792 -16.608 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.651 16.805 -16.986 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.481 17.426 -15.838 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.649 17.381 -19.800 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.064 16.614 -19.074 1.00 0.00 H new ATOM 946 N GLU A 62 9.770 19.545 -14.151 1.00 0.00 N ATOM 947 CA GLU A 62 10.159 19.587 -12.746 1.00 0.00 C ATOM 948 C GLU A 62 9.149 18.840 -11.880 1.00 0.00 C ATOM 949 O GLU A 62 8.393 19.450 -11.123 1.00 0.00 O ATOM 950 CB GLU A 62 10.283 21.036 -12.271 1.00 0.00 C ATOM 951 CG GLU A 62 9.140 21.926 -12.728 1.00 0.00 C ATOM 952 CD GLU A 62 9.354 22.478 -14.125 1.00 0.00 C ATOM 953 OE1 GLU A 62 9.995 23.542 -14.251 1.00 0.00 O ATOM 954 OE2 GLU A 62 8.879 21.845 -15.091 1.00 0.00 O ATOM 0 H GLU A 62 8.946 20.101 -14.377 1.00 0.00 H new ATOM 0 HA GLU A 62 11.128 19.097 -12.649 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.330 21.050 -11.182 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.223 21.450 -12.636 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.210 21.358 -12.704 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.026 22.753 -12.028 1.00 0.00 H new ATOM 961 N SER A 63 9.142 17.516 -11.997 1.00 0.00 N ATOM 962 CA SER A 63 8.223 16.685 -11.228 1.00 0.00 C ATOM 963 C SER A 63 8.258 17.060 -9.750 1.00 0.00 C ATOM 964 O SER A 63 7.221 17.300 -9.134 1.00 0.00 O ATOM 965 CB SER A 63 8.574 15.206 -11.399 1.00 0.00 C ATOM 966 OG SER A 63 9.878 14.933 -10.918 1.00 0.00 O ATOM 0 H SER A 63 9.763 16.996 -12.617 1.00 0.00 H new ATOM 0 HA SER A 63 7.215 16.858 -11.605 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.849 14.593 -10.863 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.507 14.932 -12.452 1.00 0.00 H new ATOM 0 HG SER A 63 10.078 13.981 -11.037 1.00 0.00 H new ATOM 972 N GLY A 64 9.462 17.109 -9.187 1.00 0.00 N ATOM 973 CA GLY A 64 9.611 17.455 -7.785 1.00 0.00 C ATOM 974 C GLY A 64 9.125 16.357 -6.861 1.00 0.00 C ATOM 975 O GLY A 64 8.611 15.334 -7.316 1.00 0.00 O ATOM 0 H GLY A 64 10.336 16.915 -9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.660 17.664 -7.575 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.056 18.370 -7.579 1.00 0.00 H new ATOM 979 N LYS A 65 9.286 16.566 -5.559 1.00 0.00 N ATOM 980 CA LYS A 65 8.860 15.586 -4.568 1.00 0.00 C ATOM 981 C LYS A 65 8.034 16.247 -3.469 1.00 0.00 C ATOM 982 O LYS A 65 8.255 17.408 -3.125 1.00 0.00 O ATOM 983 CB LYS A 65 10.077 14.888 -3.955 1.00 0.00 C ATOM 984 CG LYS A 65 9.721 13.677 -3.110 1.00 0.00 C ATOM 985 CD LYS A 65 9.270 12.509 -3.971 1.00 0.00 C ATOM 986 CE LYS A 65 9.107 11.240 -3.148 1.00 0.00 C ATOM 987 NZ LYS A 65 8.166 10.280 -3.790 1.00 0.00 N ATOM 0 H LYS A 65 9.709 17.407 -5.165 1.00 0.00 H new ATOM 0 HA LYS A 65 8.238 14.845 -5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.749 14.578 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.623 15.602 -3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.585 13.380 -2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.929 13.941 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.324 12.755 -4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.997 12.338 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.079 10.764 -3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.742 11.496 -2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.082 9.429 -3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.231 10.725 -3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.527 10.015 -4.729 1.00 0.00 H new ATOM 1001 N LYS A 66 7.081 15.500 -2.921 1.00 0.00 N ATOM 1002 CA LYS A 66 6.223 16.012 -1.860 1.00 0.00 C ATOM 1003 C LYS A 66 6.992 16.962 -0.948 1.00 0.00 C ATOM 1004 O LYS A 66 6.609 18.120 -0.775 1.00 0.00 O ATOM 1005 CB LYS A 66 5.647 14.855 -1.039 1.00 0.00 C ATOM 1006 CG LYS A 66 4.516 15.270 -0.114 1.00 0.00 C ATOM 1007 CD LYS A 66 3.827 14.062 0.500 1.00 0.00 C ATOM 1008 CE LYS A 66 4.534 13.600 1.764 1.00 0.00 C ATOM 1009 NZ LYS A 66 5.659 12.672 1.462 1.00 0.00 N ATOM 0 H LYS A 66 6.884 14.537 -3.195 1.00 0.00 H new ATOM 0 HA LYS A 66 5.405 16.564 -2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.285 14.083 -1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.445 14.409 -0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.908 15.908 0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.789 15.862 -0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.791 14.311 0.732 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.805 13.248 -0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.913 14.467 2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.819 13.103 2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.540 11.794 2.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.664 12.452 0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.560 13.122 1.723 1.00 0.00 H new ATOM 1023 N THR A 67 8.081 16.467 -0.369 1.00 0.00 N ATOM 1024 CA THR A 67 8.905 17.273 0.524 1.00 0.00 C ATOM 1025 C THR A 67 10.325 17.409 -0.011 1.00 0.00 C ATOM 1026 O THR A 67 11.235 16.706 0.429 1.00 0.00 O ATOM 1027 CB THR A 67 8.958 16.666 1.939 1.00 0.00 C ATOM 1028 OG1 THR A 67 10.076 17.198 2.659 1.00 0.00 O ATOM 1029 CG2 THR A 67 9.065 15.150 1.874 1.00 0.00 C ATOM 0 H THR A 67 8.413 15.512 -0.502 1.00 0.00 H new ATOM 0 HA THR A 67 8.443 18.259 0.576 1.00 0.00 H new ATOM 0 HB THR A 67 8.035 16.927 2.457 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.909 16.884 2.248 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.101 14.744 2.885 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.198 14.746 1.351 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.973 14.872 1.339 1.00 0.00 H new ATOM 1037 N SER A 68 10.509 18.318 -0.963 1.00 0.00 N ATOM 1038 CA SER A 68 11.820 18.545 -1.562 1.00 0.00 C ATOM 1039 C SER A 68 12.892 18.684 -0.485 1.00 0.00 C ATOM 1040 O SER A 68 12.666 19.300 0.556 1.00 0.00 O ATOM 1041 CB SER A 68 11.794 19.799 -2.437 1.00 0.00 C ATOM 1042 OG SER A 68 13.045 20.004 -3.071 1.00 0.00 O ATOM 0 H SER A 68 9.767 18.910 -1.337 1.00 0.00 H new ATOM 0 HA SER A 68 12.063 17.683 -2.183 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.012 19.705 -3.190 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.545 20.667 -1.827 1.00 0.00 H new ATOM 0 HG SER A 68 13.002 20.811 -3.626 1.00 0.00 H new ATOM 1048 N GLY A 69 14.060 18.105 -0.744 1.00 0.00 N ATOM 1049 CA GLY A 69 15.150 18.175 0.212 1.00 0.00 C ATOM 1050 C GLY A 69 16.511 18.120 -0.455 1.00 0.00 C ATOM 1051 O GLY A 69 17.076 19.141 -0.846 1.00 0.00 O ATOM 0 H GLY A 69 14.271 17.589 -1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.067 19.098 0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.062 17.351 0.920 1.00 0.00 H new ATOM 1055 N PRO A 70 17.058 16.903 -0.593 1.00 0.00 N ATOM 1056 CA PRO A 70 18.367 16.689 -1.216 1.00 0.00 C ATOM 1057 C PRO A 70 18.345 16.956 -2.717 1.00 0.00 C ATOM 1058 O PRO A 70 17.690 16.241 -3.475 1.00 0.00 O ATOM 1059 CB PRO A 70 18.655 15.212 -0.940 1.00 0.00 C ATOM 1060 CG PRO A 70 17.312 14.588 -0.776 1.00 0.00 C ATOM 1061 CD PRO A 70 16.440 15.642 -0.150 1.00 0.00 C ATOM 0 HA PRO A 70 19.123 17.366 -0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 70 19.206 14.756 -1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 70 19.261 15.088 -0.043 1.00 0.00 H new ATOM 0 HG2 PRO A 70 16.910 14.269 -1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 70 17.368 13.702 -0.144 1.00 0.00 H new ATOM 0 HD2 PRO A 70 15.407 15.561 -0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 70 16.428 15.560 0.937 1.00 0.00 H new ATOM 1069 N SER A 71 19.065 17.991 -3.141 1.00 0.00 N ATOM 1070 CA SER A 71 19.125 18.354 -4.552 1.00 0.00 C ATOM 1071 C SER A 71 19.100 17.110 -5.434 1.00 0.00 C ATOM 1072 O SER A 71 20.044 16.320 -5.440 1.00 0.00 O ATOM 1073 CB SER A 71 20.387 19.170 -4.837 1.00 0.00 C ATOM 1074 OG SER A 71 21.542 18.509 -4.350 1.00 0.00 O ATOM 0 H SER A 71 19.615 18.592 -2.527 1.00 0.00 H new ATOM 0 HA SER A 71 18.249 18.960 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 71 20.483 19.334 -5.910 1.00 0.00 H new ATOM 0 HB3 SER A 71 20.302 20.152 -4.371 1.00 0.00 H new ATOM 0 HG SER A 71 21.514 17.565 -4.613 1.00 0.00 H new ATOM 1080 N SER A 72 18.012 16.942 -6.179 1.00 0.00 N ATOM 1081 CA SER A 72 17.860 15.793 -7.063 1.00 0.00 C ATOM 1082 C SER A 72 16.924 16.119 -8.223 1.00 0.00 C ATOM 1083 O SER A 72 16.194 17.108 -8.187 1.00 0.00 O ATOM 1084 CB SER A 72 17.325 14.590 -6.284 1.00 0.00 C ATOM 1085 OG SER A 72 16.087 14.894 -5.664 1.00 0.00 O ATOM 0 H SER A 72 17.222 17.588 -6.188 1.00 0.00 H new ATOM 0 HA SER A 72 18.841 15.547 -7.469 1.00 0.00 H new ATOM 0 HB2 SER A 72 17.199 13.743 -6.958 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.050 14.291 -5.528 1.00 0.00 H new ATOM 0 HG SER A 72 16.249 15.398 -4.839 1.00 0.00 H new ATOM 1091 N GLY A 73 16.953 15.279 -9.253 1.00 0.00 N ATOM 1092 CA GLY A 73 16.104 15.494 -10.410 1.00 0.00 C ATOM 1093 C GLY A 73 15.266 14.277 -10.749 1.00 0.00 C ATOM 1094 O GLY A 73 14.694 13.673 -9.843 1.00 0.00 O ATOM 0 H GLY A 73 17.549 14.453 -9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.447 16.343 -10.222 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.724 15.755 -11.268 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 0.853 -0.365 -5.913 1.00 0.00 ZN