USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 500 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 102 HIS HD1 : A 102 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD NoAdj-H: A 140 HIS HD1 : A 140 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD Set 1.1: A 110 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 111 SER OG : rot 180:sc= -0.759 USER MOD Set 2.1: A 107 HIS :FLIP no HD1:sc= -0.347 F(o=-26,f=-25) USER MOD Set 2.2: A 109 TYR OH : rot 180:sc= 0.0868 USER MOD Set 2.3: A 128 GLN : amide:sc= -24.7! C(o=-25!,f=-31!) USER MOD Set 3.1: A 108 SER OG : rot -122:sc= 0.888 USER MOD Set 3.2: A 127 HIS :FLIP no HE2:sc= 0.283 F(o=-6.7!,f=1.2) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 95 THR OG1 : rot 101:sc= 1.15 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ -105:sc= -1.27 (180deg=-3.06!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.012) USER MOD Single : A 120 SER OG : rot 90:sc= 0.242 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl -154:sc= -0.284 (180deg=-1.55!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 140:sc= 0.128 USER MOD Single : A 134 CYS SG : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -0.525 K(o=-0.53,f=-6.3!) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 180:sc= -0.67 USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= -0.0896 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 94 -13.688 21.945 -10.696 1.00 0.00 N ATOM 2 CA GLN A 94 -13.428 20.597 -10.115 1.00 0.00 C ATOM 3 C GLN A 94 -14.724 19.785 -10.108 1.00 0.00 C ATOM 4 O GLN A 94 -15.727 20.203 -9.565 1.00 0.00 O ATOM 5 CB GLN A 94 -12.912 20.749 -8.683 1.00 0.00 C ATOM 6 CG GLN A 94 -11.990 21.968 -8.598 1.00 0.00 C ATOM 7 CD GLN A 94 -11.475 22.121 -7.166 1.00 0.00 C ATOM 8 OE1 GLN A 94 -12.197 21.876 -6.219 1.00 0.00 O ATOM 9 NE2 GLN A 94 -10.250 22.520 -6.966 1.00 0.00 N ATOM 0 HA GLN A 94 -12.680 20.081 -10.717 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -13.749 20.864 -7.994 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -12.373 19.851 -8.382 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -11.153 21.852 -9.286 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -12.529 22.866 -8.900 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.644 22.725 -7.761 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.897 22.627 -6.015 1.00 0.00 H new ATOM 20 N THR A 95 -14.713 18.627 -10.709 1.00 0.00 N ATOM 21 CA THR A 95 -15.946 17.790 -10.736 1.00 0.00 C ATOM 22 C THR A 95 -15.673 16.453 -10.047 1.00 0.00 C ATOM 23 O THR A 95 -14.576 16.189 -9.595 1.00 0.00 O ATOM 24 CB THR A 95 -16.361 17.540 -12.188 1.00 0.00 C ATOM 25 OG1 THR A 95 -15.268 16.978 -12.900 1.00 0.00 O ATOM 26 CG2 THR A 95 -16.772 18.861 -12.839 1.00 0.00 C ATOM 0 H THR A 95 -13.904 18.224 -11.182 1.00 0.00 H new ATOM 0 HA THR A 95 -16.748 18.310 -10.212 1.00 0.00 H new ATOM 0 HB THR A 95 -17.204 16.850 -12.212 1.00 0.00 H new ATOM 0 HG1 THR A 95 -15.393 16.009 -12.979 1.00 0.00 H new ATOM 0 HG21 THR A 95 -17.067 18.681 -13.873 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.611 19.291 -12.292 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.931 19.554 -12.817 1.00 0.00 H new ATOM 34 N ASP A 96 -16.664 15.603 -9.966 1.00 0.00 N ATOM 35 CA ASP A 96 -16.473 14.275 -9.307 1.00 0.00 C ATOM 36 C ASP A 96 -15.644 14.448 -8.031 1.00 0.00 C ATOM 37 O ASP A 96 -15.445 15.545 -7.550 1.00 0.00 O ATOM 38 CB ASP A 96 -15.759 13.304 -10.260 1.00 0.00 C ATOM 39 CG ASP A 96 -14.968 14.080 -11.317 1.00 0.00 C ATOM 40 OD1 ASP A 96 -15.592 14.636 -12.206 1.00 0.00 O ATOM 41 OD2 ASP A 96 -13.752 14.105 -11.219 1.00 0.00 O ATOM 0 H ASP A 96 -17.602 15.772 -10.330 1.00 0.00 H new ATOM 0 HA ASP A 96 -17.450 13.864 -9.053 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -15.087 12.658 -9.695 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -16.490 12.657 -10.745 1.00 0.00 H new ATOM 46 N ASP A 97 -15.162 13.369 -7.475 1.00 0.00 N ATOM 47 CA ASP A 97 -14.352 13.472 -6.229 1.00 0.00 C ATOM 48 C ASP A 97 -13.902 12.072 -5.795 1.00 0.00 C ATOM 49 O ASP A 97 -14.637 11.366 -5.134 1.00 0.00 O ATOM 50 CB ASP A 97 -15.200 14.100 -5.120 1.00 0.00 C ATOM 51 CG ASP A 97 -16.657 13.663 -5.281 1.00 0.00 C ATOM 52 OD1 ASP A 97 -16.920 12.481 -5.132 1.00 0.00 O ATOM 53 OD2 ASP A 97 -17.485 14.516 -5.551 1.00 0.00 O ATOM 0 H ASP A 97 -15.294 12.422 -7.830 1.00 0.00 H new ATOM 0 HA ASP A 97 -13.477 14.094 -6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -14.824 13.795 -4.143 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.128 15.187 -5.164 1.00 0.00 H new ATOM 58 N PRO A 98 -12.703 11.714 -6.180 1.00 0.00 N ATOM 59 CA PRO A 98 -12.122 10.402 -5.846 1.00 0.00 C ATOM 60 C PRO A 98 -11.630 10.389 -4.395 1.00 0.00 C ATOM 61 O PRO A 98 -10.774 11.162 -4.013 1.00 0.00 O ATOM 62 CB PRO A 98 -10.950 10.268 -6.822 1.00 0.00 C ATOM 63 CG PRO A 98 -10.578 11.706 -7.257 1.00 0.00 C ATOM 64 CD PRO A 98 -11.816 12.581 -6.983 1.00 0.00 C ATOM 0 HA PRO A 98 -12.836 9.583 -5.931 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -10.103 9.775 -6.346 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -11.229 9.661 -7.684 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.715 12.069 -6.698 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -10.309 11.734 -8.313 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -11.550 13.489 -6.442 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -12.297 12.892 -7.910 1.00 0.00 H new ATOM 72 N ARG A 99 -12.166 9.517 -3.585 1.00 0.00 N ATOM 73 CA ARG A 99 -11.730 9.457 -2.162 1.00 0.00 C ATOM 74 C ARG A 99 -11.830 8.015 -1.659 1.00 0.00 C ATOM 75 O ARG A 99 -11.873 7.763 -0.471 1.00 0.00 O ATOM 76 CB ARG A 99 -12.631 10.357 -1.314 1.00 0.00 C ATOM 77 CG ARG A 99 -11.940 11.701 -1.083 1.00 0.00 C ATOM 78 CD ARG A 99 -12.182 12.159 0.357 1.00 0.00 C ATOM 79 NE ARG A 99 -11.671 13.549 0.527 1.00 0.00 N ATOM 80 CZ ARG A 99 -11.854 14.176 1.656 1.00 0.00 C ATOM 81 NH1 ARG A 99 -11.463 13.631 2.776 1.00 0.00 N ATOM 82 NH2 ARG A 99 -12.428 15.348 1.667 1.00 0.00 N ATOM 0 H ARG A 99 -12.886 8.844 -3.847 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.698 9.799 -2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.586 10.509 -1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.846 9.878 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.870 11.609 -1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.324 12.444 -1.782 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.246 12.120 0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.680 11.487 1.053 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.179 14.009 -0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.014 12.715 2.768 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.606 14.121 3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.734 15.774 0.792 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.571 15.838 2.550 1.00 0.00 H new ATOM 96 N ASN A 100 -11.866 7.065 -2.554 1.00 0.00 N ATOM 97 CA ASN A 100 -11.961 5.641 -2.124 1.00 0.00 C ATOM 98 C ASN A 100 -10.862 4.828 -2.811 1.00 0.00 C ATOM 99 O ASN A 100 -10.993 3.637 -3.015 1.00 0.00 O ATOM 100 CB ASN A 100 -13.331 5.081 -2.513 1.00 0.00 C ATOM 101 CG ASN A 100 -14.363 5.479 -1.456 1.00 0.00 C ATOM 102 OD1 ASN A 100 -14.531 4.795 -0.466 1.00 0.00 O ATOM 103 ND2 ASN A 100 -15.066 6.566 -1.625 1.00 0.00 N ATOM 0 H ASN A 100 -11.834 7.213 -3.563 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.838 5.578 -1.043 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -13.628 5.464 -3.489 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -13.281 3.995 -2.598 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -15.756 6.841 -0.926 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -14.925 7.140 -2.456 1.00 0.00 H new ATOM 110 N LYS A 101 -9.779 5.462 -3.167 1.00 0.00 N ATOM 111 CA LYS A 101 -8.669 4.728 -3.838 1.00 0.00 C ATOM 112 C LYS A 101 -7.727 4.157 -2.780 1.00 0.00 C ATOM 113 O LYS A 101 -7.965 4.275 -1.595 1.00 0.00 O ATOM 114 CB LYS A 101 -7.898 5.691 -4.743 1.00 0.00 C ATOM 115 CG LYS A 101 -8.878 6.438 -5.649 1.00 0.00 C ATOM 116 CD LYS A 101 -9.081 5.649 -6.942 1.00 0.00 C ATOM 117 CE LYS A 101 -10.499 5.074 -6.974 1.00 0.00 C ATOM 118 NZ LYS A 101 -10.458 3.631 -6.602 1.00 0.00 N ATOM 0 H LYS A 101 -9.614 6.458 -3.022 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.078 3.915 -4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.333 6.400 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.176 5.140 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.832 6.572 -5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.495 7.433 -5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.920 6.296 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.349 4.844 -7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.140 5.621 -6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.929 5.192 -7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.586 3.049 -7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.540 3.411 -6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.220 3.425 -5.925 1.00 0.00 H new ATOM 132 N HIS A 102 -6.658 3.538 -3.200 1.00 0.00 N ATOM 133 CA HIS A 102 -5.697 2.958 -2.218 1.00 0.00 C ATOM 134 C HIS A 102 -5.470 3.954 -1.078 1.00 0.00 C ATOM 135 O HIS A 102 -5.833 5.111 -1.166 1.00 0.00 O ATOM 136 CB HIS A 102 -4.354 2.687 -2.902 1.00 0.00 C ATOM 137 CG HIS A 102 -4.353 1.322 -3.537 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.783 0.182 -2.869 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.964 0.901 -4.782 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.645 -0.857 -3.714 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.150 -0.474 -4.894 1.00 0.00 N ATOM 0 H HIS A 102 -6.408 3.408 -4.180 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.108 2.027 -1.829 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -4.165 3.447 -3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.547 2.756 -2.173 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.572 1.540 -5.559 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.903 -1.876 -3.468 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -3.951 -1.062 -5.703 1.00 0.00 H new ATOM 148 N LYS A 103 -4.853 3.515 -0.021 1.00 0.00 N ATOM 149 CA LYS A 103 -4.573 4.427 1.122 1.00 0.00 C ATOM 150 C LYS A 103 -3.112 4.252 1.527 1.00 0.00 C ATOM 151 O LYS A 103 -2.768 4.249 2.691 1.00 0.00 O ATOM 152 CB LYS A 103 -5.483 4.073 2.300 1.00 0.00 C ATOM 153 CG LYS A 103 -6.252 5.318 2.746 1.00 0.00 C ATOM 154 CD LYS A 103 -7.122 5.823 1.593 1.00 0.00 C ATOM 155 CE LYS A 103 -6.647 7.211 1.164 1.00 0.00 C ATOM 156 NZ LYS A 103 -7.680 8.223 1.526 1.00 0.00 N ATOM 0 H LYS A 103 -4.527 2.556 0.103 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.761 5.461 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.180 3.287 2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.889 3.684 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.875 5.084 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.555 6.096 3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.066 5.132 0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.166 5.864 1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.702 7.450 1.651 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.466 7.229 0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.358 9.168 1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.572 7.997 1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.832 8.211 2.555 1.00 0.00 H new ATOM 170 N PHE A 104 -2.255 4.091 0.557 1.00 0.00 N ATOM 171 CA PHE A 104 -0.807 3.898 0.848 1.00 0.00 C ATOM 172 C PHE A 104 -0.369 4.826 1.982 1.00 0.00 C ATOM 173 O PHE A 104 -0.854 5.931 2.120 1.00 0.00 O ATOM 174 CB PHE A 104 0.009 4.215 -0.407 1.00 0.00 C ATOM 175 CG PHE A 104 -0.158 3.109 -1.421 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.120 1.783 -1.063 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.586 3.407 -2.723 1.00 0.00 C ATOM 178 CE1 PHE A 104 -0.029 0.756 -2.004 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.734 2.380 -3.663 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.456 1.055 -3.305 1.00 0.00 C ATOM 0 H PHE A 104 -2.498 4.085 -0.433 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.640 2.864 1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.317 5.164 -0.833 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.062 4.327 -0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.449 1.553 -0.061 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.801 4.428 -3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.185 -0.266 -1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.063 2.610 -4.666 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.571 0.264 -4.031 1.00 0.00 H new ATOM 190 N ARG A 105 0.556 4.380 2.786 1.00 0.00 N ATOM 191 CA ARG A 105 1.046 5.225 3.909 1.00 0.00 C ATOM 192 C ARG A 105 2.505 4.866 4.194 1.00 0.00 C ATOM 193 O ARG A 105 2.794 3.956 4.946 1.00 0.00 O ATOM 194 CB ARG A 105 0.200 4.963 5.156 1.00 0.00 C ATOM 195 CG ARG A 105 0.508 6.025 6.212 1.00 0.00 C ATOM 196 CD ARG A 105 0.059 5.525 7.586 1.00 0.00 C ATOM 197 NE ARG A 105 -1.429 5.457 7.628 1.00 0.00 N ATOM 198 CZ ARG A 105 -2.060 5.693 8.745 1.00 0.00 C ATOM 199 NH1 ARG A 105 -2.139 6.911 9.205 1.00 0.00 N ATOM 200 NH2 ARG A 105 -2.614 4.710 9.403 1.00 0.00 N ATOM 0 H ARG A 105 0.995 3.462 2.712 1.00 0.00 H new ATOM 0 HA ARG A 105 0.968 6.279 3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.860 4.985 4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.413 3.970 5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.576 6.242 6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.004 6.956 5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.484 4.541 7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 105 0.425 6.193 8.365 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.954 5.226 6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.707 7.679 8.691 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.632 7.095 10.078 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.553 3.757 9.043 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -3.107 4.895 10.276 1.00 0.00 H new ATOM 214 N LEU A 106 3.429 5.566 3.595 1.00 0.00 N ATOM 215 CA LEU A 106 4.863 5.254 3.827 1.00 0.00 C ATOM 216 C LEU A 106 5.134 5.195 5.330 1.00 0.00 C ATOM 217 O LEU A 106 4.840 6.118 6.064 1.00 0.00 O ATOM 218 CB LEU A 106 5.733 6.334 3.181 1.00 0.00 C ATOM 219 CG LEU A 106 5.657 7.618 4.004 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.487 8.710 3.327 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.201 8.074 4.107 1.00 0.00 C ATOM 0 H LEU A 106 3.251 6.340 2.955 1.00 0.00 H new ATOM 0 HA LEU A 106 5.104 4.289 3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.766 5.992 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.397 6.524 2.162 1.00 0.00 H new ATOM 0 HG LEU A 106 6.050 7.431 5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.432 9.626 3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.525 8.386 3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.096 8.897 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.147 8.991 4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.806 8.260 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.610 7.297 4.592 1.00 0.00 H new ATOM 233 N HIS A 107 5.691 4.112 5.793 1.00 0.00 N ATOM 234 CA HIS A 107 5.984 3.983 7.248 1.00 0.00 C ATOM 235 C HIS A 107 7.494 4.040 7.465 1.00 0.00 C ATOM 236 O HIS A 107 8.252 4.311 6.556 1.00 0.00 O ATOM 237 CB HIS A 107 5.440 2.651 7.766 1.00 0.00 C ATOM 238 CG HIS A 107 4.607 2.896 8.995 1.00 0.00 C ATOM 239 ND1 HIS A 107 4.879 2.750 10.332 1.00 0.00 N flip ATOM 240 CD2 HIS A 107 3.304 3.362 8.922 1.00 0.00 C flip ATOM 241 CE1 HIS A 107 3.765 3.119 11.080 1.00 0.00 C flip ATOM 242 NE2 HIS A 107 2.844 3.479 10.182 1.00 0.00 N flip ATOM 0 H HIS A 107 5.957 3.308 5.225 1.00 0.00 H new ATOM 0 HA HIS A 107 5.507 4.800 7.790 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.839 2.167 6.996 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.263 1.975 8.000 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.757 3.590 8.019 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.666 3.115 12.155 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.907 3.803 10.421 1.00 0.00 H new ATOM 250 N SER A 108 7.938 3.797 8.665 1.00 0.00 N ATOM 251 CA SER A 108 9.402 3.845 8.938 1.00 0.00 C ATOM 252 C SER A 108 9.785 2.767 9.956 1.00 0.00 C ATOM 253 O SER A 108 9.585 2.924 11.144 1.00 0.00 O ATOM 254 CB SER A 108 9.769 5.220 9.493 1.00 0.00 C ATOM 255 OG SER A 108 8.972 6.211 8.856 1.00 0.00 O ATOM 0 H SER A 108 7.353 3.567 9.468 1.00 0.00 H new ATOM 0 HA SER A 108 9.943 3.665 8.009 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.608 5.245 10.571 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.826 5.423 9.324 1.00 0.00 H new ATOM 0 HG SER A 108 9.554 6.866 8.417 1.00 0.00 H new ATOM 261 N TYR A 109 10.348 1.681 9.500 1.00 0.00 N ATOM 262 CA TYR A 109 10.759 0.600 10.442 1.00 0.00 C ATOM 263 C TYR A 109 12.281 0.627 10.595 1.00 0.00 C ATOM 264 O TYR A 109 12.941 1.539 10.138 1.00 0.00 O ATOM 265 CB TYR A 109 10.335 -0.764 9.888 1.00 0.00 C ATOM 266 CG TYR A 109 8.925 -0.687 9.352 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.945 0.028 10.052 1.00 0.00 C ATOM 268 CD2 TYR A 109 8.598 -1.338 8.155 1.00 0.00 C ATOM 269 CE1 TYR A 109 6.637 0.094 9.554 1.00 0.00 C ATOM 270 CE2 TYR A 109 7.289 -1.273 7.658 1.00 0.00 C ATOM 271 CZ TYR A 109 6.309 -0.556 8.357 1.00 0.00 C ATOM 272 OH TYR A 109 5.021 -0.492 7.867 1.00 0.00 O ATOM 0 H TYR A 109 10.541 1.495 8.516 1.00 0.00 H new ATOM 0 HA TYR A 109 10.280 0.760 11.408 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.018 -1.073 9.096 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.394 -1.519 10.672 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.197 0.528 10.975 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.354 -1.889 7.616 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.881 0.646 10.093 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.036 -1.776 6.736 1.00 0.00 H new ATOM 0 HH TYR A 109 4.965 -0.996 7.028 1.00 0.00 H new ATOM 282 N SER A 110 12.846 -0.367 11.222 1.00 0.00 N ATOM 283 CA SER A 110 14.328 -0.394 11.386 1.00 0.00 C ATOM 284 C SER A 110 14.974 -0.569 10.010 1.00 0.00 C ATOM 285 O SER A 110 16.133 -0.265 9.809 1.00 0.00 O ATOM 286 CB SER A 110 14.723 -1.562 12.290 1.00 0.00 C ATOM 287 OG SER A 110 14.157 -2.763 11.781 1.00 0.00 O ATOM 0 H SER A 110 12.348 -1.160 11.627 1.00 0.00 H new ATOM 0 HA SER A 110 14.667 0.538 11.839 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.808 -1.649 12.337 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.373 -1.384 13.307 1.00 0.00 H new ATOM 0 HG SER A 110 14.410 -3.514 12.358 1.00 0.00 H new ATOM 293 N SER A 111 14.221 -1.053 9.061 1.00 0.00 N ATOM 294 CA SER A 111 14.766 -1.251 7.689 1.00 0.00 C ATOM 295 C SER A 111 13.598 -1.309 6.702 1.00 0.00 C ATOM 296 O SER A 111 12.464 -1.485 7.102 1.00 0.00 O ATOM 297 CB SER A 111 15.551 -2.563 7.632 1.00 0.00 C ATOM 298 OG SER A 111 16.161 -2.802 8.893 1.00 0.00 O ATOM 0 H SER A 111 13.244 -1.322 9.179 1.00 0.00 H new ATOM 0 HA SER A 111 15.432 -0.427 7.431 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.885 -3.387 7.375 1.00 0.00 H new ATOM 0 HB3 SER A 111 16.311 -2.512 6.852 1.00 0.00 H new ATOM 0 HG SER A 111 16.663 -3.643 8.859 1.00 0.00 H new ATOM 304 N PRO A 112 13.906 -1.155 5.442 1.00 0.00 N ATOM 305 CA PRO A 112 12.889 -1.182 4.378 1.00 0.00 C ATOM 306 C PRO A 112 12.447 -2.615 4.083 1.00 0.00 C ATOM 307 O PRO A 112 13.242 -3.533 4.050 1.00 0.00 O ATOM 308 CB PRO A 112 13.604 -0.552 3.180 1.00 0.00 C ATOM 309 CG PRO A 112 15.120 -0.708 3.442 1.00 0.00 C ATOM 310 CD PRO A 112 15.285 -0.941 4.958 1.00 0.00 C ATOM 0 HA PRO A 112 11.976 -0.649 4.644 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.318 -1.048 2.253 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.334 0.499 3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.527 -1.545 2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.661 0.184 3.126 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.918 -1.805 5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.750 -0.084 5.445 1.00 0.00 H new ATOM 318 N THR A 113 11.172 -2.807 3.870 1.00 0.00 N ATOM 319 CA THR A 113 10.651 -4.170 3.578 1.00 0.00 C ATOM 320 C THR A 113 10.691 -4.413 2.074 1.00 0.00 C ATOM 321 O THR A 113 11.120 -3.573 1.310 1.00 0.00 O ATOM 322 CB THR A 113 9.207 -4.277 4.075 1.00 0.00 C ATOM 323 OG1 THR A 113 9.030 -3.421 5.195 1.00 0.00 O ATOM 324 CG2 THR A 113 8.909 -5.720 4.483 1.00 0.00 C ATOM 0 H THR A 113 10.466 -2.071 3.886 1.00 0.00 H new ATOM 0 HA THR A 113 11.266 -4.915 4.083 1.00 0.00 H new ATOM 0 HB THR A 113 8.526 -3.981 3.277 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.106 -3.487 5.514 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.880 -5.793 4.836 1.00 0.00 H new ATOM 0 HG22 THR A 113 9.045 -6.377 3.624 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.589 -6.020 5.280 1.00 0.00 H new ATOM 332 N PHE A 114 10.255 -5.559 1.643 1.00 0.00 N ATOM 333 CA PHE A 114 10.278 -5.861 0.185 1.00 0.00 C ATOM 334 C PHE A 114 9.095 -5.176 -0.506 1.00 0.00 C ATOM 335 O PHE A 114 8.406 -4.362 0.077 1.00 0.00 O ATOM 336 CB PHE A 114 10.183 -7.372 -0.024 1.00 0.00 C ATOM 337 CG PHE A 114 11.349 -8.049 0.658 1.00 0.00 C ATOM 338 CD1 PHE A 114 12.595 -8.104 0.021 1.00 0.00 C ATOM 339 CD2 PHE A 114 11.183 -8.621 1.925 1.00 0.00 C ATOM 340 CE1 PHE A 114 13.677 -8.731 0.653 1.00 0.00 C ATOM 341 CE2 PHE A 114 12.264 -9.248 2.558 1.00 0.00 C ATOM 342 CZ PHE A 114 13.512 -9.304 1.922 1.00 0.00 C ATOM 0 H PHE A 114 9.883 -6.301 2.235 1.00 0.00 H new ATOM 0 HA PHE A 114 11.209 -5.490 -0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.243 -7.748 0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 114 10.186 -7.604 -1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 114 12.722 -7.663 -0.957 1.00 0.00 H new ATOM 0 HD2 PHE A 114 10.221 -8.579 2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 114 14.638 -8.773 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 114 12.136 -9.688 3.536 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.346 -9.788 2.409 1.00 0.00 H new ATOM 352 N CYS A 115 8.864 -5.497 -1.750 1.00 0.00 N ATOM 353 CA CYS A 115 7.737 -4.865 -2.492 1.00 0.00 C ATOM 354 C CYS A 115 6.788 -5.953 -3.000 1.00 0.00 C ATOM 355 O CYS A 115 7.203 -7.038 -3.357 1.00 0.00 O ATOM 356 CB CYS A 115 8.309 -4.076 -3.668 1.00 0.00 C ATOM 357 SG CYS A 115 6.983 -3.256 -4.584 1.00 0.00 S ATOM 0 H CYS A 115 9.409 -6.172 -2.286 1.00 0.00 H new ATOM 0 HA CYS A 115 7.182 -4.194 -1.836 1.00 0.00 H new ATOM 0 HB2 CYS A 115 9.021 -3.335 -3.305 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.857 -4.746 -4.331 1.00 0.00 H new ATOM 362 N ASP A 116 5.516 -5.672 -3.021 1.00 0.00 N ATOM 363 CA ASP A 116 4.528 -6.691 -3.489 1.00 0.00 C ATOM 364 C ASP A 116 4.288 -6.541 -4.992 1.00 0.00 C ATOM 365 O ASP A 116 3.778 -7.433 -5.641 1.00 0.00 O ATOM 366 CB ASP A 116 3.207 -6.496 -2.742 1.00 0.00 C ATOM 367 CG ASP A 116 2.883 -5.003 -2.656 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.963 -4.339 -3.676 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.560 -4.549 -1.569 1.00 0.00 O ATOM 0 H ASP A 116 5.114 -4.780 -2.734 1.00 0.00 H new ATOM 0 HA ASP A 116 4.922 -7.687 -3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.405 -7.024 -3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.277 -6.922 -1.741 1.00 0.00 H new ATOM 374 N HIS A 117 4.641 -5.418 -5.549 1.00 0.00 N ATOM 375 CA HIS A 117 4.425 -5.210 -7.007 1.00 0.00 C ATOM 376 C HIS A 117 5.645 -5.702 -7.791 1.00 0.00 C ATOM 377 O HIS A 117 5.514 -6.289 -8.847 1.00 0.00 O ATOM 378 CB HIS A 117 4.212 -3.720 -7.280 1.00 0.00 C ATOM 379 CG HIS A 117 4.188 -3.481 -8.765 1.00 0.00 C ATOM 380 ND1 HIS A 117 3.121 -3.870 -9.559 1.00 0.00 N ATOM 381 CD2 HIS A 117 5.095 -2.897 -9.615 1.00 0.00 C ATOM 382 CE1 HIS A 117 3.408 -3.519 -10.825 1.00 0.00 C ATOM 383 NE2 HIS A 117 4.599 -2.921 -10.915 1.00 0.00 N ATOM 0 H HIS A 117 5.070 -4.634 -5.057 1.00 0.00 H new ATOM 0 HA HIS A 117 3.546 -5.772 -7.324 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.276 -3.387 -6.832 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.010 -3.137 -6.820 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.048 -2.482 -9.320 1.00 0.00 H new ATOM 0 HE1 HIS A 117 2.755 -3.699 -11.666 1.00 0.00 H new ATOM 0 HE2 HIS A 117 5.049 -2.559 -11.756 1.00 0.00 H new ATOM 391 N CYS A 118 6.830 -5.469 -7.294 1.00 0.00 N ATOM 392 CA CYS A 118 8.040 -5.931 -8.033 1.00 0.00 C ATOM 393 C CYS A 118 8.746 -7.041 -7.247 1.00 0.00 C ATOM 394 O CYS A 118 9.576 -7.752 -7.775 1.00 0.00 O ATOM 395 CB CYS A 118 8.998 -4.754 -8.240 1.00 0.00 C ATOM 396 SG CYS A 118 9.422 -4.025 -6.642 1.00 0.00 S ATOM 0 H CYS A 118 7.012 -4.983 -6.416 1.00 0.00 H new ATOM 0 HA CYS A 118 7.735 -6.324 -9.003 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.901 -5.093 -8.747 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.535 -4.004 -8.881 1.00 0.00 H new ATOM 401 N GLY A 119 8.419 -7.204 -5.992 1.00 0.00 N ATOM 402 CA GLY A 119 9.072 -8.277 -5.187 1.00 0.00 C ATOM 403 C GLY A 119 10.541 -7.925 -4.939 1.00 0.00 C ATOM 404 O GLY A 119 11.410 -8.773 -4.992 1.00 0.00 O ATOM 0 H GLY A 119 7.730 -6.642 -5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.553 -8.397 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.001 -9.230 -5.711 1.00 0.00 H new ATOM 408 N SER A 120 10.825 -6.683 -4.663 1.00 0.00 N ATOM 409 CA SER A 120 12.236 -6.277 -4.406 1.00 0.00 C ATOM 410 C SER A 120 12.299 -5.454 -3.117 1.00 0.00 C ATOM 411 O SER A 120 11.287 -5.076 -2.562 1.00 0.00 O ATOM 412 CB SER A 120 12.746 -5.434 -5.574 1.00 0.00 C ATOM 413 OG SER A 120 12.269 -5.986 -6.794 1.00 0.00 O ATOM 0 H SER A 120 10.140 -5.930 -4.604 1.00 0.00 H new ATOM 0 HA SER A 120 12.858 -7.166 -4.303 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.406 -4.404 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.836 -5.412 -5.573 1.00 0.00 H new ATOM 0 HG SER A 120 11.404 -5.584 -7.019 1.00 0.00 H new ATOM 419 N LEU A 121 13.479 -5.171 -2.636 1.00 0.00 N ATOM 420 CA LEU A 121 13.597 -4.372 -1.383 1.00 0.00 C ATOM 421 C LEU A 121 13.396 -2.889 -1.688 1.00 0.00 C ATOM 422 O LEU A 121 13.823 -2.386 -2.708 1.00 0.00 O ATOM 423 CB LEU A 121 14.981 -4.576 -0.764 1.00 0.00 C ATOM 424 CG LEU A 121 14.928 -5.736 0.230 1.00 0.00 C ATOM 425 CD1 LEU A 121 16.346 -6.247 0.490 1.00 0.00 C ATOM 426 CD2 LEU A 121 14.313 -5.245 1.544 1.00 0.00 C ATOM 0 H LEU A 121 14.364 -5.457 -3.055 1.00 0.00 H new ATOM 0 HA LEU A 121 12.832 -4.705 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.713 -4.785 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.304 -3.665 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 121 14.321 -6.544 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 121 16.310 -7.074 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.787 -6.590 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.953 -5.441 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 121 14.273 -6.069 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.924 -4.440 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.304 -4.876 1.358 1.00 0.00 H new ATOM 438 N LEU A 122 12.752 -2.185 -0.800 1.00 0.00 N ATOM 439 CA LEU A 122 12.520 -0.731 -1.016 1.00 0.00 C ATOM 440 C LEU A 122 13.741 0.050 -0.525 1.00 0.00 C ATOM 441 O LEU A 122 13.875 0.338 0.648 1.00 0.00 O ATOM 442 CB LEU A 122 11.282 -0.295 -0.230 1.00 0.00 C ATOM 443 CG LEU A 122 10.144 -1.287 -0.478 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.242 -1.352 0.756 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.320 -0.828 -1.683 1.00 0.00 C ATOM 0 H LEU A 122 12.374 -2.557 0.071 1.00 0.00 H new ATOM 0 HA LEU A 122 12.364 -0.534 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.512 -0.248 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 122 10.979 0.706 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 122 10.563 -2.274 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.432 -2.059 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.826 -1.679 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.825 -0.365 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.509 -1.535 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.904 0.160 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.959 -0.781 -2.565 1.00 0.00 H new ATOM 457 N TYR A 123 14.636 0.387 -1.414 1.00 0.00 N ATOM 458 CA TYR A 123 15.854 1.143 -1.002 1.00 0.00 C ATOM 459 C TYR A 123 15.472 2.237 -0.002 1.00 0.00 C ATOM 460 O TYR A 123 14.415 2.829 -0.088 1.00 0.00 O ATOM 461 CB TYR A 123 16.498 1.778 -2.235 1.00 0.00 C ATOM 462 CG TYR A 123 17.067 0.693 -3.118 1.00 0.00 C ATOM 463 CD1 TYR A 123 18.069 -0.155 -2.627 1.00 0.00 C ATOM 464 CD2 TYR A 123 16.594 0.534 -4.427 1.00 0.00 C ATOM 465 CE1 TYR A 123 18.597 -1.163 -3.446 1.00 0.00 C ATOM 466 CE2 TYR A 123 17.122 -0.473 -5.245 1.00 0.00 C ATOM 467 CZ TYR A 123 18.124 -1.322 -4.755 1.00 0.00 C ATOM 468 OH TYR A 123 18.644 -2.315 -5.560 1.00 0.00 O ATOM 0 H TYR A 123 14.576 0.171 -2.409 1.00 0.00 H new ATOM 0 HA TYR A 123 16.561 0.460 -0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 123 15.759 2.360 -2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.286 2.467 -1.933 1.00 0.00 H new ATOM 0 HD1 TYR A 123 18.434 -0.032 -1.618 1.00 0.00 H new ATOM 0 HD2 TYR A 123 15.822 1.188 -4.805 1.00 0.00 H new ATOM 0 HE1 TYR A 123 19.369 -1.817 -3.068 1.00 0.00 H new ATOM 0 HE2 TYR A 123 16.757 -0.595 -6.254 1.00 0.00 H new ATOM 0 HH TYR A 123 18.206 -2.289 -6.436 1.00 0.00 H new ATOM 478 N GLY A 124 16.327 2.508 0.948 1.00 0.00 N ATOM 479 CA GLY A 124 16.016 3.562 1.955 1.00 0.00 C ATOM 480 C GLY A 124 15.816 4.904 1.250 1.00 0.00 C ATOM 481 O GLY A 124 15.274 5.836 1.810 1.00 0.00 O ATOM 0 H GLY A 124 17.227 2.044 1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 124 15.117 3.294 2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.827 3.638 2.679 1.00 0.00 H new ATOM 485 N LEU A 125 16.250 5.012 0.024 1.00 0.00 N ATOM 486 CA LEU A 125 16.082 6.296 -0.713 1.00 0.00 C ATOM 487 C LEU A 125 14.637 6.775 -0.572 1.00 0.00 C ATOM 488 O LEU A 125 14.346 7.949 -0.699 1.00 0.00 O ATOM 489 CB LEU A 125 16.403 6.078 -2.192 1.00 0.00 C ATOM 490 CG LEU A 125 17.903 6.268 -2.422 1.00 0.00 C ATOM 491 CD1 LEU A 125 18.279 5.733 -3.804 1.00 0.00 C ATOM 492 CD2 LEU A 125 18.246 7.757 -2.340 1.00 0.00 C ATOM 0 H LEU A 125 16.713 4.268 -0.498 1.00 0.00 H new ATOM 0 HA LEU A 125 16.757 7.046 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 125 16.102 5.076 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 125 15.838 6.781 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 125 18.460 5.724 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 125 19.348 5.868 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 125 18.034 4.672 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 125 17.723 6.276 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 125 19.315 7.894 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 125 17.689 8.301 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 125 17.978 8.138 -1.355 1.00 0.00 H new ATOM 504 N VAL A 126 13.728 5.878 -0.309 1.00 0.00 N ATOM 505 CA VAL A 126 12.301 6.281 -0.157 1.00 0.00 C ATOM 506 C VAL A 126 11.728 5.631 1.101 1.00 0.00 C ATOM 507 O VAL A 126 10.682 5.015 1.070 1.00 0.00 O ATOM 508 CB VAL A 126 11.506 5.813 -1.377 1.00 0.00 C ATOM 509 CG1 VAL A 126 11.863 6.681 -2.585 1.00 0.00 C ATOM 510 CG2 VAL A 126 11.851 4.354 -1.680 1.00 0.00 C ATOM 0 H VAL A 126 13.912 4.881 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 126 12.233 7.366 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 126 10.439 5.901 -1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 126 11.296 6.347 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 126 11.618 7.721 -2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 126 12.930 6.594 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 126 11.285 4.019 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 126 12.918 4.268 -1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.596 3.734 -0.821 1.00 0.00 H new ATOM 520 N HIS A 127 12.409 5.757 2.207 1.00 0.00 N ATOM 521 CA HIS A 127 11.905 5.135 3.460 1.00 0.00 C ATOM 522 C HIS A 127 11.566 3.672 3.176 1.00 0.00 C ATOM 523 O HIS A 127 11.727 3.196 2.069 1.00 0.00 O ATOM 524 CB HIS A 127 10.650 5.871 3.932 1.00 0.00 C ATOM 525 CG HIS A 127 10.903 6.480 5.285 1.00 0.00 C ATOM 526 ND1 HIS A 127 12.049 6.612 6.031 1.00 0.00 N flip ATOM 527 CD2 HIS A 127 9.891 7.053 6.039 1.00 0.00 C flip ATOM 528 CE1 HIS A 127 11.755 7.257 7.229 1.00 0.00 C flip ATOM 529 NE2 HIS A 127 10.443 7.499 7.183 1.00 0.00 N flip ATOM 0 H HIS A 127 13.290 6.263 2.295 1.00 0.00 H new ATOM 0 HA HIS A 127 12.665 5.197 4.238 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.381 6.648 3.217 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.809 5.180 3.984 1.00 0.00 H new ATOM 0 HD1 HIS A 127 12.974 6.287 5.750 1.00 0.00 H new ATOM 0 HD2 HIS A 127 8.850 7.128 5.760 1.00 0.00 H new ATOM 0 HE1 HIS A 127 12.441 7.508 8.025 1.00 0.00 H new ATOM 537 N GLN A 128 11.101 2.951 4.155 1.00 0.00 N ATOM 538 CA GLN A 128 10.760 1.524 3.907 1.00 0.00 C ATOM 539 C GLN A 128 9.889 1.427 2.655 1.00 0.00 C ATOM 540 O GLN A 128 10.386 1.348 1.549 1.00 0.00 O ATOM 541 CB GLN A 128 10.002 0.950 5.108 1.00 0.00 C ATOM 542 CG GLN A 128 9.181 2.055 5.774 1.00 0.00 C ATOM 543 CD GLN A 128 8.029 1.430 6.560 1.00 0.00 C ATOM 544 OE1 GLN A 128 8.159 1.161 7.737 1.00 0.00 O ATOM 545 NE2 GLN A 128 6.899 1.188 5.954 1.00 0.00 N ATOM 0 H GLN A 128 10.943 3.283 5.107 1.00 0.00 H new ATOM 0 HA GLN A 128 11.677 0.953 3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.347 0.141 4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 128 10.705 0.524 5.824 1.00 0.00 H new ATOM 0 HG2 GLN A 128 9.814 2.642 6.440 1.00 0.00 H new ATOM 0 HG3 GLN A 128 8.792 2.739 5.020 1.00 0.00 H new ATOM 0 HE21 GLN A 128 6.792 1.415 4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 128 6.123 0.772 6.469 1.00 0.00 H new ATOM 554 N GLY A 129 8.594 1.437 2.813 1.00 0.00 N ATOM 555 CA GLY A 129 7.702 1.350 1.624 1.00 0.00 C ATOM 556 C GLY A 129 6.350 1.988 1.945 1.00 0.00 C ATOM 557 O GLY A 129 6.093 2.397 3.062 1.00 0.00 O ATOM 0 H GLY A 129 8.116 1.502 3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.161 1.856 0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.564 0.308 1.337 1.00 0.00 H new ATOM 561 N MET A 130 5.484 2.073 0.972 1.00 0.00 N ATOM 562 CA MET A 130 4.146 2.681 1.214 1.00 0.00 C ATOM 563 C MET A 130 3.176 1.583 1.650 1.00 0.00 C ATOM 564 O MET A 130 2.734 0.779 0.853 1.00 0.00 O ATOM 565 CB MET A 130 3.631 3.332 -0.075 1.00 0.00 C ATOM 566 CG MET A 130 4.804 3.908 -0.874 1.00 0.00 C ATOM 567 SD MET A 130 4.508 5.664 -1.197 1.00 0.00 S ATOM 568 CE MET A 130 6.079 6.277 -0.541 1.00 0.00 C ATOM 0 H MET A 130 5.646 1.747 0.019 1.00 0.00 H new ATOM 0 HA MET A 130 4.224 3.441 1.991 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.097 2.596 -0.676 1.00 0.00 H new ATOM 0 HB3 MET A 130 2.921 4.123 0.166 1.00 0.00 H new ATOM 0 HG2 MET A 130 5.733 3.781 -0.319 1.00 0.00 H new ATOM 0 HG3 MET A 130 4.918 3.368 -1.814 1.00 0.00 H new ATOM 0 HE1 MET A 130 5.957 7.308 -0.209 1.00 0.00 H new ATOM 0 HE2 MET A 130 6.388 5.658 0.302 1.00 0.00 H new ATOM 0 HE3 MET A 130 6.840 6.235 -1.320 1.00 0.00 H new ATOM 578 N LYS A 131 2.846 1.538 2.911 1.00 0.00 N ATOM 579 CA LYS A 131 1.911 0.486 3.396 1.00 0.00 C ATOM 580 C LYS A 131 0.472 0.989 3.299 1.00 0.00 C ATOM 581 O LYS A 131 0.114 1.995 3.876 1.00 0.00 O ATOM 582 CB LYS A 131 2.235 0.153 4.853 1.00 0.00 C ATOM 583 CG LYS A 131 1.270 -0.919 5.360 1.00 0.00 C ATOM 584 CD LYS A 131 0.824 -0.571 6.781 1.00 0.00 C ATOM 585 CE LYS A 131 1.030 -1.782 7.693 1.00 0.00 C ATOM 586 NZ LYS A 131 0.704 -1.407 9.098 1.00 0.00 N ATOM 0 H LYS A 131 3.183 2.183 3.625 1.00 0.00 H new ATOM 0 HA LYS A 131 2.022 -0.407 2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.263 -0.200 4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.155 1.049 5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.404 -0.985 4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.755 -1.895 5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.394 0.280 7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.225 -0.276 6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 131 0.395 -2.607 7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.061 -2.129 7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.844 -2.230 9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.327 -0.633 9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -0.287 -1.096 9.153 1.00 0.00 H new ATOM 600 N CYS A 132 -0.357 0.291 2.576 1.00 0.00 N ATOM 601 CA CYS A 132 -1.775 0.725 2.445 1.00 0.00 C ATOM 602 C CYS A 132 -2.466 0.578 3.802 1.00 0.00 C ATOM 603 O CYS A 132 -2.538 -0.499 4.360 1.00 0.00 O ATOM 604 CB CYS A 132 -2.482 -0.140 1.405 1.00 0.00 C ATOM 605 SG CYS A 132 -4.188 0.431 1.206 1.00 0.00 S ATOM 0 H CYS A 132 -0.114 -0.561 2.070 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.816 1.766 2.125 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.955 -0.086 0.452 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.471 -1.185 1.716 1.00 0.00 H new ATOM 610 N SER A 133 -2.962 1.655 4.343 1.00 0.00 N ATOM 611 CA SER A 133 -3.635 1.581 5.674 1.00 0.00 C ATOM 612 C SER A 133 -5.079 1.098 5.512 1.00 0.00 C ATOM 613 O SER A 133 -5.867 1.161 6.436 1.00 0.00 O ATOM 614 CB SER A 133 -3.631 2.968 6.318 1.00 0.00 C ATOM 615 OG SER A 133 -2.895 3.865 5.499 1.00 0.00 O ATOM 0 H SER A 133 -2.932 2.584 3.923 1.00 0.00 H new ATOM 0 HA SER A 133 -3.096 0.876 6.307 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.653 3.326 6.442 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.187 2.918 7.312 1.00 0.00 H new ATOM 0 HG SER A 133 -3.350 4.733 5.473 1.00 0.00 H new ATOM 621 N CYS A 134 -5.438 0.622 4.353 1.00 0.00 N ATOM 622 CA CYS A 134 -6.836 0.143 4.146 1.00 0.00 C ATOM 623 C CYS A 134 -6.833 -1.247 3.501 1.00 0.00 C ATOM 624 O CYS A 134 -7.844 -1.922 3.469 1.00 0.00 O ATOM 625 CB CYS A 134 -7.578 1.122 3.234 1.00 0.00 C ATOM 626 SG CYS A 134 -8.623 2.209 4.235 1.00 0.00 S ATOM 0 H CYS A 134 -4.826 0.543 3.540 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.336 0.084 5.113 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.864 1.714 2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -8.188 0.575 2.515 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.251 3.042 3.459 1.00 0.00 H new ATOM 632 N CYS A 135 -5.718 -1.685 2.981 1.00 0.00 N ATOM 633 CA CYS A 135 -5.679 -3.030 2.336 1.00 0.00 C ATOM 634 C CYS A 135 -4.354 -3.735 2.652 1.00 0.00 C ATOM 635 O CYS A 135 -4.106 -4.832 2.193 1.00 0.00 O ATOM 636 CB CYS A 135 -5.825 -2.870 0.820 1.00 0.00 C ATOM 637 SG CYS A 135 -4.336 -2.093 0.143 1.00 0.00 S ATOM 0 H CYS A 135 -4.836 -1.173 2.975 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.499 -3.634 2.725 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -5.983 -3.843 0.355 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.700 -2.262 0.591 1.00 0.00 H new ATOM 642 N GLU A 136 -3.501 -3.125 3.431 1.00 0.00 N ATOM 643 CA GLU A 136 -2.203 -3.777 3.763 1.00 0.00 C ATOM 644 C GLU A 136 -1.433 -4.061 2.473 1.00 0.00 C ATOM 645 O GLU A 136 -1.337 -5.187 2.030 1.00 0.00 O ATOM 646 CB GLU A 136 -2.467 -5.092 4.500 1.00 0.00 C ATOM 647 CG GLU A 136 -3.262 -4.813 5.776 1.00 0.00 C ATOM 648 CD GLU A 136 -3.877 -6.118 6.290 1.00 0.00 C ATOM 649 OE1 GLU A 136 -3.188 -6.839 6.990 1.00 0.00 O ATOM 650 OE2 GLU A 136 -5.029 -6.372 5.973 1.00 0.00 O ATOM 0 H GLU A 136 -3.647 -2.207 3.850 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.615 -3.116 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -3.020 -5.776 3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.523 -5.579 4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -2.611 -4.381 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -4.046 -4.083 5.576 1.00 0.00 H new ATOM 657 N MET A 137 -0.888 -3.045 1.865 1.00 0.00 N ATOM 658 CA MET A 137 -0.128 -3.255 0.600 1.00 0.00 C ATOM 659 C MET A 137 1.138 -2.396 0.609 1.00 0.00 C ATOM 660 O MET A 137 1.082 -1.188 0.489 1.00 0.00 O ATOM 661 CB MET A 137 -1.003 -2.861 -0.590 1.00 0.00 C ATOM 662 CG MET A 137 -0.568 -3.650 -1.826 1.00 0.00 C ATOM 663 SD MET A 137 -1.360 -2.953 -3.297 1.00 0.00 S ATOM 664 CE MET A 137 -1.446 -4.487 -4.253 1.00 0.00 C ATOM 0 H MET A 137 -0.935 -2.079 2.188 1.00 0.00 H new ATOM 0 HA MET A 137 0.151 -4.305 0.517 1.00 0.00 H new ATOM 0 HB2 MET A 137 -2.051 -3.062 -0.367 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.917 -1.791 -0.780 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.516 -3.612 -1.931 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.841 -4.699 -1.715 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.910 -4.288 -5.219 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.440 -4.876 -4.407 1.00 0.00 H new ATOM 0 HE3 MET A 137 -2.040 -5.222 -3.709 1.00 0.00 H new ATOM 674 N ASN A 138 2.283 -3.009 0.745 1.00 0.00 N ATOM 675 CA ASN A 138 3.551 -2.226 0.758 1.00 0.00 C ATOM 676 C ASN A 138 4.158 -2.210 -0.647 1.00 0.00 C ATOM 677 O ASN A 138 4.486 -3.240 -1.202 1.00 0.00 O ATOM 678 CB ASN A 138 4.539 -2.872 1.731 1.00 0.00 C ATOM 679 CG ASN A 138 4.099 -2.588 3.169 1.00 0.00 C ATOM 680 OD1 ASN A 138 2.935 -2.713 3.496 1.00 0.00 O ATOM 681 ND2 ASN A 138 4.986 -2.208 4.048 1.00 0.00 N ATOM 0 H ASN A 138 2.395 -4.018 0.848 1.00 0.00 H new ATOM 0 HA ASN A 138 3.342 -1.204 1.075 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.585 -3.947 1.559 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.542 -2.479 1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.702 -2.016 5.009 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.963 -2.103 3.774 1.00 0.00 H new ATOM 688 N VAL A 139 4.308 -1.051 -1.228 1.00 0.00 N ATOM 689 CA VAL A 139 4.893 -0.975 -2.598 1.00 0.00 C ATOM 690 C VAL A 139 6.030 0.048 -2.615 1.00 0.00 C ATOM 691 O VAL A 139 6.347 0.657 -1.613 1.00 0.00 O ATOM 692 CB VAL A 139 3.812 -0.549 -3.593 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.579 -1.438 -3.421 1.00 0.00 C ATOM 694 CG2 VAL A 139 3.428 0.910 -3.335 1.00 0.00 C ATOM 0 H VAL A 139 4.051 -0.155 -0.815 1.00 0.00 H new ATOM 0 HA VAL A 139 5.281 -1.954 -2.879 1.00 0.00 H new ATOM 0 HB VAL A 139 4.194 -0.651 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 139 1.809 -1.134 -4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 139 2.851 -2.477 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.197 -1.337 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.658 1.214 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 139 3.047 1.012 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 139 4.306 1.545 -3.458 1.00 0.00 H new ATOM 704 N HIS A 140 6.647 0.243 -3.750 1.00 0.00 N ATOM 705 CA HIS A 140 7.764 1.226 -3.836 1.00 0.00 C ATOM 706 C HIS A 140 7.190 2.635 -4.001 1.00 0.00 C ATOM 707 O HIS A 140 5.992 2.835 -3.978 1.00 0.00 O ATOM 708 CB HIS A 140 8.643 0.896 -5.043 1.00 0.00 C ATOM 709 CG HIS A 140 9.651 -0.151 -4.663 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.516 -1.478 -5.043 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.815 -0.084 -3.938 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.574 -2.149 -4.546 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.396 -1.346 -3.866 1.00 0.00 N ATOM 0 H HIS A 140 6.425 -0.237 -4.622 1.00 0.00 H new ATOM 0 HA HIS A 140 8.361 1.177 -2.925 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.026 0.539 -5.868 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.152 1.795 -5.392 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.218 0.813 -3.491 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.737 -3.208 -4.681 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.264 -1.603 -3.395 1.00 0.00 H new ATOM 720 N ARG A 141 8.038 3.612 -4.173 1.00 0.00 N ATOM 721 CA ARG A 141 7.544 5.003 -4.347 1.00 0.00 C ATOM 722 C ARG A 141 7.196 5.226 -5.820 1.00 0.00 C ATOM 723 O ARG A 141 6.356 6.038 -6.155 1.00 0.00 O ATOM 724 CB ARG A 141 8.640 5.983 -3.919 1.00 0.00 C ATOM 725 CG ARG A 141 8.309 7.381 -4.439 1.00 0.00 C ATOM 726 CD ARG A 141 8.503 8.403 -3.318 1.00 0.00 C ATOM 727 NE ARG A 141 8.508 9.777 -3.894 1.00 0.00 N ATOM 728 CZ ARG A 141 7.684 10.679 -3.435 1.00 0.00 C ATOM 729 NH1 ARG A 141 6.480 10.337 -3.070 1.00 0.00 N ATOM 730 NH2 ARG A 141 8.067 11.924 -3.342 1.00 0.00 N ATOM 0 H ARG A 141 9.052 3.505 -4.200 1.00 0.00 H new ATOM 0 HA ARG A 141 6.657 5.165 -3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 141 8.724 5.999 -2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 141 9.605 5.658 -4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 141 8.951 7.627 -5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 141 7.281 7.412 -4.800 1.00 0.00 H new ATOM 0 HD2 ARG A 141 7.704 8.308 -2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 141 9.441 8.213 -2.796 1.00 0.00 H new ATOM 0 HE ARG A 141 9.155 10.013 -4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 141 6.182 9.364 -3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 141 5.836 11.042 -2.711 1.00 0.00 H new ATOM 0 HH21 ARG A 141 9.009 12.190 -3.628 1.00 0.00 H new ATOM 0 HH22 ARG A 141 7.424 12.630 -2.983 1.00 0.00 H new ATOM 744 N ARG A 142 7.831 4.504 -6.700 1.00 0.00 N ATOM 745 CA ARG A 142 7.535 4.665 -8.153 1.00 0.00 C ATOM 746 C ARG A 142 6.741 3.451 -8.642 1.00 0.00 C ATOM 747 O ARG A 142 6.441 3.324 -9.813 1.00 0.00 O ATOM 748 CB ARG A 142 8.840 4.779 -8.956 1.00 0.00 C ATOM 749 CG ARG A 142 10.029 4.292 -8.121 1.00 0.00 C ATOM 750 CD ARG A 142 11.334 4.715 -8.797 1.00 0.00 C ATOM 751 NE ARG A 142 12.481 4.041 -8.126 1.00 0.00 N ATOM 752 CZ ARG A 142 12.830 2.836 -8.485 1.00 0.00 C ATOM 753 NH1 ARG A 142 13.216 2.605 -9.710 1.00 0.00 N ATOM 754 NH2 ARG A 142 12.792 1.860 -7.618 1.00 0.00 N ATOM 0 H ARG A 142 8.543 3.808 -6.477 1.00 0.00 H new ATOM 0 HA ARG A 142 6.953 5.575 -8.298 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.764 4.190 -9.870 1.00 0.00 H new ATOM 0 HB3 ARG A 142 8.999 5.814 -9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.976 4.709 -7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.995 3.207 -8.018 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.311 4.451 -9.854 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.451 5.797 -8.741 1.00 0.00 H new ATOM 0 HE ARG A 142 12.993 4.521 -7.386 1.00 0.00 H new ATOM 0 HH11 ARG A 142 13.245 3.367 -10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 142 13.489 1.663 -9.990 1.00 0.00 H new ATOM 0 HH21 ARG A 142 12.490 2.040 -6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 142 13.065 0.918 -7.898 1.00 0.00 H new ATOM 768 N CYS A 143 6.393 2.558 -7.754 1.00 0.00 N ATOM 769 CA CYS A 143 5.614 1.357 -8.168 1.00 0.00 C ATOM 770 C CYS A 143 4.120 1.665 -8.065 1.00 0.00 C ATOM 771 O CYS A 143 3.292 0.972 -8.623 1.00 0.00 O ATOM 772 CB CYS A 143 5.957 0.183 -7.248 1.00 0.00 C ATOM 773 SG CYS A 143 7.371 -0.725 -7.924 1.00 0.00 S ATOM 0 H CYS A 143 6.615 2.609 -6.760 1.00 0.00 H new ATOM 0 HA CYS A 143 5.864 1.096 -9.196 1.00 0.00 H new ATOM 0 HB2 CYS A 143 6.191 0.548 -6.248 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.098 -0.481 -7.153 1.00 0.00 H new ATOM 778 N VAL A 144 3.768 2.702 -7.354 1.00 0.00 N ATOM 779 CA VAL A 144 2.327 3.058 -7.213 1.00 0.00 C ATOM 780 C VAL A 144 1.766 3.460 -8.579 1.00 0.00 C ATOM 781 O VAL A 144 0.615 3.218 -8.883 1.00 0.00 O ATOM 782 CB VAL A 144 2.187 4.229 -6.240 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.704 4.502 -5.978 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.881 3.881 -4.922 1.00 0.00 C ATOM 0 H VAL A 144 4.417 3.318 -6.864 1.00 0.00 H new ATOM 0 HA VAL A 144 1.774 2.199 -6.832 1.00 0.00 H new ATOM 0 HB VAL A 144 2.649 5.117 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.605 5.337 -5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.208 4.749 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.241 3.615 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.782 4.715 -4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.419 2.993 -4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.937 3.687 -5.107 1.00 0.00 H new ATOM 794 N ARG A 145 2.569 4.074 -9.404 1.00 0.00 N ATOM 795 CA ARG A 145 2.082 4.493 -10.748 1.00 0.00 C ATOM 796 C ARG A 145 1.720 3.254 -11.569 1.00 0.00 C ATOM 797 O ARG A 145 1.066 3.342 -12.589 1.00 0.00 O ATOM 798 CB ARG A 145 3.180 5.277 -11.468 1.00 0.00 C ATOM 799 CG ARG A 145 2.966 6.775 -11.249 1.00 0.00 C ATOM 800 CD ARG A 145 3.765 7.562 -12.290 1.00 0.00 C ATOM 801 NE ARG A 145 5.135 7.825 -11.768 1.00 0.00 N ATOM 802 CZ ARG A 145 5.536 9.051 -11.573 1.00 0.00 C ATOM 803 NH1 ARG A 145 4.769 9.894 -10.937 1.00 0.00 N ATOM 804 NH2 ARG A 145 6.703 9.435 -12.015 1.00 0.00 N ATOM 0 H ARG A 145 3.543 4.304 -9.205 1.00 0.00 H new ATOM 0 HA ARG A 145 1.201 5.124 -10.633 1.00 0.00 H new ATOM 0 HB2 ARG A 145 4.159 4.980 -11.092 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.165 5.049 -12.534 1.00 0.00 H new ATOM 0 HG2 ARG A 145 1.906 7.017 -11.329 1.00 0.00 H new ATOM 0 HG3 ARG A 145 3.282 7.055 -10.244 1.00 0.00 H new ATOM 0 HD2 ARG A 145 3.821 7.000 -13.222 1.00 0.00 H new ATOM 0 HD3 ARG A 145 3.263 8.503 -12.515 1.00 0.00 H new ATOM 0 HE ARG A 145 5.760 7.046 -11.563 1.00 0.00 H new ATOM 0 HH11 ARG A 145 3.857 9.594 -10.593 1.00 0.00 H new ATOM 0 HH12 ARG A 145 5.082 10.853 -10.784 1.00 0.00 H new ATOM 0 HH21 ARG A 145 7.302 8.776 -12.513 1.00 0.00 H new ATOM 0 HH22 ARG A 145 7.016 10.394 -11.862 1.00 0.00 H new ATOM 818 N SER A 146 2.143 2.100 -11.133 1.00 0.00 N ATOM 819 CA SER A 146 1.827 0.856 -11.888 1.00 0.00 C ATOM 820 C SER A 146 0.523 0.253 -11.361 1.00 0.00 C ATOM 821 O SER A 146 -0.215 -0.384 -12.085 1.00 0.00 O ATOM 822 CB SER A 146 2.963 -0.151 -11.710 1.00 0.00 C ATOM 823 OG SER A 146 4.207 0.500 -11.936 1.00 0.00 O ATOM 0 H SER A 146 2.694 1.965 -10.286 1.00 0.00 H new ATOM 0 HA SER A 146 1.714 1.094 -12.946 1.00 0.00 H new ATOM 0 HB2 SER A 146 2.937 -0.572 -10.705 1.00 0.00 H new ATOM 0 HB3 SER A 146 2.842 -0.981 -12.407 1.00 0.00 H new ATOM 0 HG SER A 146 4.938 -0.142 -11.821 1.00 0.00 H new ATOM 829 N VAL A 147 0.235 0.445 -10.102 1.00 0.00 N ATOM 830 CA VAL A 147 -1.020 -0.120 -9.532 1.00 0.00 C ATOM 831 C VAL A 147 -2.205 0.771 -9.923 1.00 0.00 C ATOM 832 O VAL A 147 -2.089 1.980 -9.928 1.00 0.00 O ATOM 833 CB VAL A 147 -0.906 -0.177 -8.007 1.00 0.00 C ATOM 834 CG1 VAL A 147 -2.172 -0.803 -7.422 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.308 -1.024 -7.619 1.00 0.00 C ATOM 0 H VAL A 147 0.814 0.968 -9.445 1.00 0.00 H new ATOM 0 HA VAL A 147 -1.177 -1.125 -9.923 1.00 0.00 H new ATOM 0 HB VAL A 147 -0.787 0.833 -7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -2.090 -0.843 -6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -3.037 -0.200 -7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -2.293 -1.813 -7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.391 -1.066 -6.533 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.188 -2.033 -8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.211 -0.577 -8.035 1.00 0.00 H new ATOM 845 N PRO A 148 -3.312 0.146 -10.239 1.00 0.00 N ATOM 846 CA PRO A 148 -4.538 0.858 -10.638 1.00 0.00 C ATOM 847 C PRO A 148 -5.259 1.410 -9.404 1.00 0.00 C ATOM 848 O PRO A 148 -5.331 2.606 -9.198 1.00 0.00 O ATOM 849 CB PRO A 148 -5.378 -0.227 -11.319 1.00 0.00 C ATOM 850 CG PRO A 148 -4.860 -1.582 -10.779 1.00 0.00 C ATOM 851 CD PRO A 148 -3.444 -1.326 -10.231 1.00 0.00 C ATOM 0 HA PRO A 148 -4.346 1.712 -11.287 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.437 -0.098 -11.093 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -5.275 -0.175 -12.403 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.515 -1.963 -9.996 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.840 -2.332 -11.570 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -3.327 -1.731 -9.226 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -2.684 -1.797 -10.855 1.00 0.00 H new ATOM 859 N SER A 149 -5.794 0.547 -8.584 1.00 0.00 N ATOM 860 CA SER A 149 -6.510 1.019 -7.366 1.00 0.00 C ATOM 861 C SER A 149 -7.365 -0.119 -6.806 1.00 0.00 C ATOM 862 O SER A 149 -8.512 0.068 -6.455 1.00 0.00 O ATOM 863 CB SER A 149 -7.409 2.200 -7.730 1.00 0.00 C ATOM 864 OG SER A 149 -7.918 2.015 -9.044 1.00 0.00 O ATOM 0 H SER A 149 -5.766 -0.465 -8.705 1.00 0.00 H new ATOM 0 HA SER A 149 -5.785 1.333 -6.615 1.00 0.00 H new ATOM 0 HB2 SER A 149 -8.230 2.280 -7.017 1.00 0.00 H new ATOM 0 HB3 SER A 149 -6.846 3.132 -7.674 1.00 0.00 H new ATOM 0 HG SER A 149 -8.496 2.770 -9.280 1.00 0.00 H new ATOM 870 N LEU A 150 -6.814 -1.299 -6.720 1.00 0.00 N ATOM 871 CA LEU A 150 -7.596 -2.448 -6.182 1.00 0.00 C ATOM 872 C LEU A 150 -7.492 -2.470 -4.657 1.00 0.00 C ATOM 873 O LEU A 150 -6.998 -3.414 -4.073 1.00 0.00 O ATOM 874 CB LEU A 150 -7.039 -3.754 -6.751 1.00 0.00 C ATOM 875 CG LEU A 150 -8.176 -4.762 -6.924 1.00 0.00 C ATOM 876 CD1 LEU A 150 -9.273 -4.154 -7.800 1.00 0.00 C ATOM 877 CD2 LEU A 150 -7.635 -6.026 -7.594 1.00 0.00 C ATOM 0 H LEU A 150 -5.857 -1.517 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 150 -8.642 -2.342 -6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.555 -3.568 -7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.279 -4.159 -6.083 1.00 0.00 H new ATOM 0 HG LEU A 150 -8.590 -5.012 -5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -10.082 -4.874 -7.922 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -9.659 -3.251 -7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -8.861 -3.903 -8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -8.444 -6.746 -7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.222 -5.772 -8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.854 -6.462 -6.971 1.00 0.00 H new ATOM 889 N CYS A 151 -7.953 -1.438 -4.006 1.00 0.00 N ATOM 890 CA CYS A 151 -7.880 -1.402 -2.518 1.00 0.00 C ATOM 891 C CYS A 151 -9.024 -2.237 -1.934 1.00 0.00 C ATOM 892 O CYS A 151 -9.837 -2.780 -2.654 1.00 0.00 O ATOM 893 CB CYS A 151 -8.002 0.045 -2.036 1.00 0.00 C ATOM 894 SG CYS A 151 -7.155 0.225 -0.447 1.00 0.00 S ATOM 0 H CYS A 151 -8.377 -0.618 -4.440 1.00 0.00 H new ATOM 0 HA CYS A 151 -6.926 -1.813 -2.188 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -7.567 0.722 -2.771 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -9.052 0.318 -1.933 1.00 0.00 H new ATOM 899 N GLY A 152 -9.091 -2.344 -0.635 1.00 0.00 N ATOM 900 CA GLY A 152 -10.179 -3.145 -0.009 1.00 0.00 C ATOM 901 C GLY A 152 -11.418 -2.272 0.169 1.00 0.00 C ATOM 902 O GLY A 152 -11.858 -2.011 1.271 1.00 0.00 O ATOM 0 H GLY A 152 -8.439 -1.911 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -10.415 -4.007 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -9.851 -3.531 0.956 1.00 0.00 H new ATOM 906 N VAL A 153 -11.981 -1.823 -0.911 1.00 0.00 N ATOM 907 CA VAL A 153 -13.195 -0.966 -0.824 1.00 0.00 C ATOM 908 C VAL A 153 -14.406 -1.745 -1.339 1.00 0.00 C ATOM 909 O VAL A 153 -15.279 -1.199 -1.985 1.00 0.00 O ATOM 910 CB VAL A 153 -12.995 0.289 -1.677 1.00 0.00 C ATOM 911 CG1 VAL A 153 -13.028 -0.090 -3.158 1.00 0.00 C ATOM 912 CG2 VAL A 153 -14.116 1.289 -1.381 1.00 0.00 C ATOM 0 H VAL A 153 -11.653 -2.012 -1.858 1.00 0.00 H new ATOM 0 HA VAL A 153 -13.363 -0.677 0.214 1.00 0.00 H new ATOM 0 HB VAL A 153 -12.032 0.741 -1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -12.886 0.804 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -12.231 -0.803 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -13.991 -0.541 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -13.975 2.184 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -15.079 0.837 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -14.093 1.559 -0.325 1.00 0.00 H new ATOM 922 N ASP A 154 -14.468 -3.018 -1.059 1.00 0.00 N ATOM 923 CA ASP A 154 -15.623 -3.831 -1.534 1.00 0.00 C ATOM 924 C ASP A 154 -15.745 -5.092 -0.676 1.00 0.00 C ATOM 925 O ASP A 154 -16.133 -6.142 -1.149 1.00 0.00 O ATOM 926 CB ASP A 154 -15.401 -4.228 -2.995 1.00 0.00 C ATOM 927 CG ASP A 154 -16.751 -4.519 -3.656 1.00 0.00 C ATOM 928 OD1 ASP A 154 -17.752 -4.461 -2.961 1.00 0.00 O ATOM 929 OD2 ASP A 154 -16.759 -4.795 -4.843 1.00 0.00 O ATOM 0 H ASP A 154 -13.769 -3.530 -0.522 1.00 0.00 H new ATOM 0 HA ASP A 154 -16.538 -3.245 -1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -14.889 -3.426 -3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -14.760 -5.108 -3.050 1.00 0.00 H new ATOM 934 N HIS A 155 -15.417 -4.998 0.584 1.00 0.00 N ATOM 935 CA HIS A 155 -15.516 -6.191 1.472 1.00 0.00 C ATOM 936 C HIS A 155 -14.765 -7.363 0.837 1.00 0.00 C ATOM 937 O HIS A 155 -13.588 -7.556 1.069 1.00 0.00 O ATOM 938 CB HIS A 155 -16.987 -6.567 1.660 1.00 0.00 C ATOM 939 CG HIS A 155 -17.496 -5.974 2.944 1.00 0.00 C ATOM 940 ND1 HIS A 155 -18.123 -6.739 3.915 1.00 0.00 N ATOM 941 CD2 HIS A 155 -17.478 -4.690 3.432 1.00 0.00 C ATOM 942 CE1 HIS A 155 -18.453 -5.917 4.928 1.00 0.00 C ATOM 943 NE2 HIS A 155 -18.083 -4.657 4.684 1.00 0.00 N ATOM 0 H HIS A 155 -15.085 -4.147 1.037 1.00 0.00 H new ATOM 0 HA HIS A 155 -15.075 -5.960 2.442 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -17.577 -6.202 0.819 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -17.097 -7.651 1.679 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -17.058 -3.836 2.921 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -18.956 -6.237 5.829 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -18.216 -3.845 5.287 1.00 0.00 H new ATOM 951 N THR A 156 -15.435 -8.149 0.040 1.00 0.00 N ATOM 952 CA THR A 156 -14.757 -9.309 -0.606 1.00 0.00 C ATOM 953 C THR A 156 -15.167 -9.387 -2.078 1.00 0.00 C ATOM 954 O THR A 156 -15.700 -8.448 -2.635 1.00 0.00 O ATOM 955 CB THR A 156 -15.166 -10.600 0.107 1.00 0.00 C ATOM 956 OG1 THR A 156 -16.381 -11.082 -0.451 1.00 0.00 O ATOM 957 CG2 THR A 156 -15.362 -10.323 1.598 1.00 0.00 C ATOM 0 H THR A 156 -16.422 -8.039 -0.192 1.00 0.00 H new ATOM 0 HA THR A 156 -13.677 -9.182 -0.537 1.00 0.00 H new ATOM 0 HB THR A 156 -14.384 -11.349 -0.020 1.00 0.00 H new ATOM 0 HG1 THR A 156 -16.644 -11.910 0.003 1.00 0.00 H new ATOM 0 HG21 THR A 156 -15.653 -11.244 2.104 1.00 0.00 H new ATOM 0 HG22 THR A 156 -14.430 -9.954 2.025 1.00 0.00 H new ATOM 0 HG23 THR A 156 -16.143 -9.574 1.729 1.00 0.00 H new ATOM 965 N GLU A 157 -14.922 -10.501 -2.713 1.00 0.00 N ATOM 966 CA GLU A 157 -15.296 -10.640 -4.148 1.00 0.00 C ATOM 967 C GLU A 157 -16.294 -11.789 -4.307 1.00 0.00 C ATOM 968 O GLU A 157 -16.438 -12.623 -3.434 1.00 0.00 O ATOM 969 CB GLU A 157 -14.044 -10.935 -4.976 1.00 0.00 C ATOM 970 CG GLU A 157 -12.895 -10.042 -4.501 1.00 0.00 C ATOM 971 CD GLU A 157 -11.579 -10.542 -5.099 1.00 0.00 C ATOM 972 OE1 GLU A 157 -11.467 -11.737 -5.319 1.00 0.00 O ATOM 973 OE2 GLU A 157 -10.704 -9.722 -5.326 1.00 0.00 O ATOM 0 H GLU A 157 -14.479 -11.321 -2.299 1.00 0.00 H new ATOM 0 HA GLU A 157 -15.751 -9.712 -4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -13.768 -11.985 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -14.244 -10.757 -6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -13.074 -9.010 -4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -12.839 -10.052 -3.412 1.00 0.00 H new ATOM 980 N ARG A 158 -16.984 -11.841 -5.413 1.00 0.00 N ATOM 981 CA ARG A 158 -17.970 -12.936 -5.626 1.00 0.00 C ATOM 982 C ARG A 158 -17.262 -14.153 -6.226 1.00 0.00 C ATOM 983 O ARG A 158 -16.983 -15.118 -5.544 1.00 0.00 O ATOM 984 CB ARG A 158 -19.064 -12.461 -6.580 1.00 0.00 C ATOM 985 CG ARG A 158 -19.754 -11.231 -5.993 1.00 0.00 C ATOM 986 CD ARG A 158 -19.752 -10.107 -7.028 1.00 0.00 C ATOM 987 NE ARG A 158 -21.117 -9.517 -7.125 1.00 0.00 N ATOM 988 CZ ARG A 158 -21.813 -9.301 -6.043 1.00 0.00 C ATOM 989 NH1 ARG A 158 -21.447 -8.367 -5.207 1.00 0.00 N ATOM 990 NH2 ARG A 158 -22.875 -10.018 -5.795 1.00 0.00 N ATOM 0 H ARG A 158 -16.907 -11.172 -6.179 1.00 0.00 H new ATOM 0 HA ARG A 158 -18.417 -13.211 -4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -18.634 -12.220 -7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -19.791 -13.257 -6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -20.777 -11.476 -5.707 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -19.239 -10.908 -5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -19.032 -9.339 -6.745 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -19.441 -10.493 -7.999 1.00 0.00 H new ATOM 0 HE ARG A 158 -21.507 -9.282 -8.038 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -20.617 -7.806 -5.400 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -21.991 -8.198 -4.361 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -23.161 -10.748 -6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -23.419 -9.848 -4.949 1.00 0.00 H new ATOM 1004 N ARG A 159 -16.971 -14.115 -7.497 1.00 0.00 N ATOM 1005 CA ARG A 159 -16.282 -15.270 -8.139 1.00 0.00 C ATOM 1006 C ARG A 159 -14.852 -14.870 -8.509 1.00 0.00 C ATOM 1007 O ARG A 159 -14.691 -13.844 -9.149 1.00 0.00 O ATOM 1008 CB ARG A 159 -17.042 -15.678 -9.404 1.00 0.00 C ATOM 1009 CG ARG A 159 -18.471 -16.077 -9.034 1.00 0.00 C ATOM 1010 CD ARG A 159 -19.301 -16.244 -10.308 1.00 0.00 C ATOM 1011 NE ARG A 159 -20.700 -16.611 -9.946 1.00 0.00 N ATOM 1012 CZ ARG A 159 -21.693 -15.856 -10.330 1.00 0.00 C ATOM 1013 NH1 ARG A 159 -21.713 -14.591 -10.009 1.00 0.00 N ATOM 1014 NH2 ARG A 159 -22.666 -16.367 -11.034 1.00 0.00 N ATOM 1015 OXT ARG A 159 -13.943 -15.598 -8.145 1.00 0.00 O ATOM 0 H ARG A 159 -17.180 -13.334 -8.119 1.00 0.00 H new ATOM 0 HA ARG A 159 -16.256 -16.109 -7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -17.056 -14.852 -10.115 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -16.536 -16.510 -9.893 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -18.465 -17.008 -8.467 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -18.918 -15.317 -8.393 1.00 0.00 H new ATOM 0 HD2 ARG A 159 -19.294 -15.318 -10.883 1.00 0.00 H new ATOM 0 HD3 ARG A 159 -18.864 -17.016 -10.941 1.00 0.00 H new ATOM 0 HE ARG A 159 -20.881 -17.452 -9.398 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -20.953 -14.193 -9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -22.489 -14.001 -10.309 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -22.650 -17.356 -11.284 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -23.442 -15.778 -11.334 1.00 0.00 H new TER 1029 ARG A 159 HETATM 1030 ZN ZN A 1 -4.929 -0.113 -0.893 1.00 0.00 ZN HETATM 1031 ZN ZN A 2 8.096 -2.174 -6.286 1.00 0.00 ZN