USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=16 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 107 HIS : no HD1:sc= -21.1! C(o=-36!,f=-47!) USER MOD Set 1.2: A 109 TYR OH : rot 125:sc= 0.706 USER MOD Set 1.3: A 113 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 128 GLN :FLIP amide:sc= -15.7! C(o=-38!,f=-36!) USER MOD Single : A 94 GLN : amide:sc= -0.365 K(o=-0.36,f=-3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0799 USER MOD Single : A 117 HIS :FLIP no HD1:sc= -10.1! C(o=-11!,f=-10!) USER MOD Single : A 120 SER OG : rot 180:sc= -0.0427 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.026) USER MOD Single : A 130 MET CE :methyl -124:sc= -5.71! (180deg=-11.3!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 68:sc= -1.72 USER MOD Single : A 134 CYS SG : rot 33:sc= -1.97! USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -3.12! C(o=-3.1!,f=-9.5!) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 170:sc= 0 USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 156 THR OG1 : rot -74:sc= 0.447 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 94 -21.344 17.954 -0.660 1.00 0.00 N ATOM 2 CA GLN A 94 -22.445 17.197 0.000 1.00 0.00 C ATOM 3 C GLN A 94 -22.641 15.856 -0.713 1.00 0.00 C ATOM 4 O GLN A 94 -23.697 15.258 -0.651 1.00 0.00 O ATOM 5 CB GLN A 94 -23.739 18.010 -0.077 1.00 0.00 C ATOM 6 CG GLN A 94 -23.612 19.256 0.801 1.00 0.00 C ATOM 7 CD GLN A 94 -24.976 19.597 1.404 1.00 0.00 C ATOM 8 OE1 GLN A 94 -25.847 18.753 1.480 1.00 0.00 O ATOM 9 NE2 GLN A 94 -25.200 20.807 1.838 1.00 0.00 N ATOM 0 HA GLN A 94 -22.189 17.019 1.044 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -23.939 18.298 -1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -24.582 17.404 0.254 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -22.885 19.082 1.594 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -23.244 20.095 0.210 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -24.469 21.515 1.774 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -26.106 21.045 2.241 1.00 0.00 H new ATOM 20 N THR A 95 -21.630 15.379 -1.386 1.00 0.00 N ATOM 21 CA THR A 95 -21.760 14.077 -2.100 1.00 0.00 C ATOM 22 C THR A 95 -20.775 13.070 -1.503 1.00 0.00 C ATOM 23 O THR A 95 -19.629 13.384 -1.247 1.00 0.00 O ATOM 24 CB THR A 95 -21.449 14.277 -3.586 1.00 0.00 C ATOM 25 OG1 THR A 95 -20.142 14.815 -3.726 1.00 0.00 O ATOM 26 CG2 THR A 95 -22.468 15.239 -4.197 1.00 0.00 C ATOM 0 H THR A 95 -20.721 15.833 -1.472 1.00 0.00 H new ATOM 0 HA THR A 95 -22.777 13.700 -1.990 1.00 0.00 H new ATOM 0 HB THR A 95 -21.504 13.318 -4.102 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.941 14.942 -4.677 1.00 0.00 H new ATOM 0 HG21 THR A 95 -22.246 15.381 -5.255 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.470 14.824 -4.089 1.00 0.00 H new ATOM 0 HG23 THR A 95 -22.416 16.199 -3.683 1.00 0.00 H new ATOM 34 N ASP A 96 -21.211 11.861 -1.279 1.00 0.00 N ATOM 35 CA ASP A 96 -20.299 10.835 -0.697 1.00 0.00 C ATOM 36 C ASP A 96 -20.098 9.700 -1.702 1.00 0.00 C ATOM 37 O ASP A 96 -20.544 8.589 -1.495 1.00 0.00 O ATOM 38 CB ASP A 96 -20.915 10.276 0.588 1.00 0.00 C ATOM 39 CG ASP A 96 -19.991 10.575 1.770 1.00 0.00 C ATOM 40 OD1 ASP A 96 -20.000 11.705 2.232 1.00 0.00 O ATOM 41 OD2 ASP A 96 -19.290 9.670 2.193 1.00 0.00 O ATOM 0 H ASP A 96 -22.159 11.539 -1.474 1.00 0.00 H new ATOM 0 HA ASP A 96 -19.336 11.292 -0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -21.895 10.721 0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -21.066 9.201 0.494 1.00 0.00 H new ATOM 46 N ASP A 97 -19.429 9.969 -2.791 1.00 0.00 N ATOM 47 CA ASP A 97 -19.200 8.904 -3.807 1.00 0.00 C ATOM 48 C ASP A 97 -18.188 7.890 -3.265 1.00 0.00 C ATOM 49 O ASP A 97 -17.371 8.220 -2.427 1.00 0.00 O ATOM 50 CB ASP A 97 -18.655 9.532 -5.091 1.00 0.00 C ATOM 51 CG ASP A 97 -17.302 10.185 -4.805 1.00 0.00 C ATOM 52 OD1 ASP A 97 -16.331 9.458 -4.677 1.00 0.00 O ATOM 53 OD2 ASP A 97 -17.259 11.402 -4.719 1.00 0.00 O ATOM 0 H ASP A 97 -19.032 10.880 -3.020 1.00 0.00 H new ATOM 0 HA ASP A 97 -20.142 8.398 -4.021 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -18.547 8.771 -5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -19.356 10.275 -5.471 1.00 0.00 H new ATOM 58 N PRO A 98 -18.274 6.684 -3.763 1.00 0.00 N ATOM 59 CA PRO A 98 -17.378 5.588 -3.351 1.00 0.00 C ATOM 60 C PRO A 98 -16.015 5.728 -4.036 1.00 0.00 C ATOM 61 O PRO A 98 -15.794 6.629 -4.822 1.00 0.00 O ATOM 62 CB PRO A 98 -18.106 4.330 -3.834 1.00 0.00 C ATOM 63 CG PRO A 98 -19.059 4.784 -4.966 1.00 0.00 C ATOM 64 CD PRO A 98 -19.274 6.298 -4.780 1.00 0.00 C ATOM 0 HA PRO A 98 -17.179 5.574 -2.279 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -17.397 3.587 -4.198 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -18.663 3.867 -3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -18.628 4.571 -5.944 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -20.007 4.249 -4.912 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -19.122 6.839 -5.714 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -20.288 6.518 -4.445 1.00 0.00 H new ATOM 72 N ARG A 99 -15.101 4.844 -3.744 1.00 0.00 N ATOM 73 CA ARG A 99 -13.755 4.927 -4.378 1.00 0.00 C ATOM 74 C ARG A 99 -12.887 3.770 -3.880 1.00 0.00 C ATOM 75 O ARG A 99 -12.860 3.463 -2.705 1.00 0.00 O ATOM 76 CB ARG A 99 -13.096 6.257 -4.005 1.00 0.00 C ATOM 77 CG ARG A 99 -13.189 6.467 -2.492 1.00 0.00 C ATOM 78 CD ARG A 99 -11.825 6.197 -1.853 1.00 0.00 C ATOM 79 NE ARG A 99 -10.761 6.875 -2.646 1.00 0.00 N ATOM 80 CZ ARG A 99 -10.642 8.173 -2.603 1.00 0.00 C ATOM 81 NH1 ARG A 99 -11.444 8.926 -3.303 1.00 0.00 N ATOM 82 NH2 ARG A 99 -9.719 8.719 -1.858 1.00 0.00 N ATOM 0 H ARG A 99 -15.228 4.068 -3.094 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.858 4.865 -5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.052 6.259 -4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.588 7.078 -4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -13.509 7.486 -2.275 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.940 5.800 -2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.815 6.560 -0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.636 5.124 -1.814 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.126 6.324 -3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.165 8.500 -3.885 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.350 9.941 -3.269 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.092 8.130 -1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.625 9.734 -1.824 1.00 0.00 H new ATOM 96 N ASN A 100 -12.175 3.127 -4.765 1.00 0.00 N ATOM 97 CA ASN A 100 -11.310 1.989 -4.340 1.00 0.00 C ATOM 98 C ASN A 100 -9.842 2.345 -4.581 1.00 0.00 C ATOM 99 O ASN A 100 -9.218 1.859 -5.504 1.00 0.00 O ATOM 100 CB ASN A 100 -11.673 0.743 -5.152 1.00 0.00 C ATOM 101 CG ASN A 100 -13.195 0.615 -5.237 1.00 0.00 C ATOM 102 OD1 ASN A 100 -13.795 1.011 -6.216 1.00 0.00 O ATOM 103 ND2 ASN A 100 -13.848 0.071 -4.247 1.00 0.00 N ATOM 0 H ASN A 100 -12.155 3.340 -5.762 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.465 1.791 -3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.247 0.811 -6.153 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.248 -0.145 -4.684 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -14.863 -0.022 -4.295 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -13.344 -0.261 -3.425 1.00 0.00 H new ATOM 110 N LYS A 101 -9.283 3.189 -3.757 1.00 0.00 N ATOM 111 CA LYS A 101 -7.854 3.574 -3.939 1.00 0.00 C ATOM 112 C LYS A 101 -7.059 3.170 -2.696 1.00 0.00 C ATOM 113 O LYS A 101 -7.582 3.127 -1.601 1.00 0.00 O ATOM 114 CB LYS A 101 -7.756 5.086 -4.140 1.00 0.00 C ATOM 115 CG LYS A 101 -8.881 5.551 -5.066 1.00 0.00 C ATOM 116 CD LYS A 101 -8.587 5.092 -6.495 1.00 0.00 C ATOM 117 CE LYS A 101 -9.834 5.283 -7.359 1.00 0.00 C ATOM 118 NZ LYS A 101 -9.746 4.404 -8.560 1.00 0.00 N ATOM 0 H LYS A 101 -9.754 3.628 -2.966 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.446 3.066 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.827 5.597 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.788 5.345 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.835 5.143 -4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.969 6.637 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.755 5.663 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.287 4.044 -6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.728 5.043 -6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.922 6.326 -7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.594 4.534 -9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.901 4.654 -9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.682 3.411 -8.259 1.00 0.00 H new ATOM 132 N HIS A 102 -5.797 2.871 -2.855 1.00 0.00 N ATOM 133 CA HIS A 102 -4.977 2.469 -1.677 1.00 0.00 C ATOM 134 C HIS A 102 -4.540 3.713 -0.904 1.00 0.00 C ATOM 135 O HIS A 102 -4.132 4.703 -1.478 1.00 0.00 O ATOM 136 CB HIS A 102 -3.726 1.720 -2.144 1.00 0.00 C ATOM 137 CG HIS A 102 -4.109 0.587 -3.055 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.619 -0.610 -2.577 1.00 0.00 N ATOM 139 CD2 HIS A 102 -4.042 0.448 -4.417 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.834 -1.411 -3.637 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.499 -0.814 -4.784 1.00 0.00 N ATOM 0 H HIS A 102 -5.301 2.888 -3.746 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.578 1.823 -1.036 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.057 2.405 -2.665 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.181 1.335 -1.282 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.688 1.204 -5.102 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.229 -2.414 -3.569 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.564 -1.200 -5.726 1.00 0.00 H new ATOM 148 N LYS A 103 -4.599 3.662 0.398 1.00 0.00 N ATOM 149 CA LYS A 103 -4.165 4.831 1.209 1.00 0.00 C ATOM 150 C LYS A 103 -2.677 4.673 1.517 1.00 0.00 C ATOM 151 O LYS A 103 -2.252 4.741 2.654 1.00 0.00 O ATOM 152 CB LYS A 103 -4.961 4.874 2.516 1.00 0.00 C ATOM 153 CG LYS A 103 -6.455 4.948 2.198 1.00 0.00 C ATOM 154 CD LYS A 103 -7.005 6.305 2.640 1.00 0.00 C ATOM 155 CE LYS A 103 -8.235 6.654 1.800 1.00 0.00 C ATOM 156 NZ LYS A 103 -8.918 7.841 2.388 1.00 0.00 N ATOM 0 H LYS A 103 -4.929 2.860 0.935 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.339 5.757 0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.749 3.987 3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.661 5.738 3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.617 4.809 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.986 4.145 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.270 6.276 3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.242 7.074 2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.939 6.864 0.772 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.919 5.806 1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.754 8.078 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.213 7.625 3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.264 8.649 2.396 1.00 0.00 H new ATOM 170 N PHE A 104 -1.887 4.444 0.503 1.00 0.00 N ATOM 171 CA PHE A 104 -0.423 4.255 0.707 1.00 0.00 C ATOM 172 C PHE A 104 0.097 5.222 1.772 1.00 0.00 C ATOM 173 O PHE A 104 -0.169 6.407 1.738 1.00 0.00 O ATOM 174 CB PHE A 104 0.308 4.515 -0.611 1.00 0.00 C ATOM 175 CG PHE A 104 0.030 3.385 -1.573 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.396 2.074 -1.240 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.592 3.647 -2.802 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.142 1.027 -2.133 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.847 2.599 -3.696 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.480 1.288 -3.362 1.00 0.00 C ATOM 0 H PHE A 104 -2.197 4.379 -0.467 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.242 3.233 1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.020 5.461 -1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.380 4.600 -0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.875 1.871 -0.293 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.875 4.657 -3.060 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.425 0.017 -1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.326 2.801 -4.642 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.676 0.480 -4.051 1.00 0.00 H new ATOM 190 N ARG A 105 0.846 4.717 2.715 1.00 0.00 N ATOM 191 CA ARG A 105 1.400 5.591 3.785 1.00 0.00 C ATOM 192 C ARG A 105 2.754 5.035 4.228 1.00 0.00 C ATOM 193 O ARG A 105 2.830 4.045 4.928 1.00 0.00 O ATOM 194 CB ARG A 105 0.440 5.612 4.977 1.00 0.00 C ATOM 195 CG ARG A 105 0.070 7.060 5.308 1.00 0.00 C ATOM 196 CD ARG A 105 0.769 7.482 6.602 1.00 0.00 C ATOM 197 NE ARG A 105 -0.231 7.560 7.705 1.00 0.00 N ATOM 198 CZ ARG A 105 -0.591 6.476 8.336 1.00 0.00 C ATOM 199 NH1 ARG A 105 0.302 5.750 8.950 1.00 0.00 N ATOM 200 NH2 ARG A 105 -1.847 6.119 8.355 1.00 0.00 N ATOM 0 H ARG A 105 1.098 3.731 2.789 1.00 0.00 H new ATOM 0 HA ARG A 105 1.523 6.606 3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.458 5.040 4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.905 5.138 5.841 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.366 7.718 4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.010 7.154 5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 105 1.551 6.766 6.856 1.00 0.00 H new ATOM 0 HD3 ARG A 105 1.254 8.449 6.467 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.634 8.460 7.966 1.00 0.00 H new ATOM 0 HH11 ARG A 105 1.283 6.029 8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 105 0.019 4.903 9.443 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.546 6.687 7.877 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.129 5.272 8.848 1.00 0.00 H new ATOM 214 N LEU A 106 3.824 5.660 3.820 1.00 0.00 N ATOM 215 CA LEU A 106 5.170 5.162 4.213 1.00 0.00 C ATOM 216 C LEU A 106 5.199 4.894 5.717 1.00 0.00 C ATOM 217 O LEU A 106 4.800 5.719 6.516 1.00 0.00 O ATOM 218 CB LEU A 106 6.225 6.212 3.856 1.00 0.00 C ATOM 219 CG LEU A 106 6.115 7.391 4.819 1.00 0.00 C ATOM 220 CD1 LEU A 106 7.165 8.444 4.463 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.720 8.006 4.714 1.00 0.00 C ATOM 0 H LEU A 106 3.823 6.493 3.232 1.00 0.00 H new ATOM 0 HA LEU A 106 5.385 4.236 3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.222 5.775 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.083 6.552 2.830 1.00 0.00 H new ATOM 0 HG LEU A 106 6.283 7.043 5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.085 9.285 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.160 8.006 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.000 8.793 3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.641 8.848 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.551 8.353 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.972 7.256 4.971 1.00 0.00 H new ATOM 233 N HIS A 107 5.667 3.743 6.108 1.00 0.00 N ATOM 234 CA HIS A 107 5.726 3.408 7.558 1.00 0.00 C ATOM 235 C HIS A 107 7.147 3.632 8.075 1.00 0.00 C ATOM 236 O HIS A 107 8.014 4.085 7.357 1.00 0.00 O ATOM 237 CB HIS A 107 5.334 1.942 7.754 1.00 0.00 C ATOM 238 CG HIS A 107 6.136 1.079 6.819 1.00 0.00 C ATOM 239 ND1 HIS A 107 5.599 0.554 5.653 1.00 0.00 N ATOM 240 CD2 HIS A 107 7.434 0.637 6.864 1.00 0.00 C ATOM 241 CE1 HIS A 107 6.562 -0.166 5.051 1.00 0.00 C ATOM 242 NE2 HIS A 107 7.702 -0.149 5.747 1.00 0.00 N ATOM 0 H HIS A 107 6.013 3.015 5.483 1.00 0.00 H new ATOM 0 HA HIS A 107 5.036 4.046 8.110 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.513 1.642 8.786 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.269 1.811 7.564 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.141 0.865 7.648 1.00 0.00 H new ATOM 0 HE1 HIS A 107 6.430 -0.694 4.118 1.00 0.00 H new ATOM 0 HE2 HIS A 107 8.580 -0.612 5.511 1.00 0.00 H new ATOM 250 N SER A 108 7.392 3.323 9.318 1.00 0.00 N ATOM 251 CA SER A 108 8.759 3.524 9.877 1.00 0.00 C ATOM 252 C SER A 108 9.110 2.373 10.825 1.00 0.00 C ATOM 253 O SER A 108 9.217 2.556 12.021 1.00 0.00 O ATOM 254 CB SER A 108 8.805 4.846 10.646 1.00 0.00 C ATOM 255 OG SER A 108 7.955 5.790 10.008 1.00 0.00 O ATOM 0 H SER A 108 6.707 2.941 9.970 1.00 0.00 H new ATOM 0 HA SER A 108 9.480 3.548 9.060 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.487 4.692 11.677 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.827 5.224 10.681 1.00 0.00 H new ATOM 0 HG SER A 108 7.981 6.638 10.499 1.00 0.00 H new ATOM 261 N TYR A 109 9.298 1.192 10.302 1.00 0.00 N ATOM 262 CA TYR A 109 9.651 0.040 11.180 1.00 0.00 C ATOM 263 C TYR A 109 11.113 0.168 11.614 1.00 0.00 C ATOM 264 O TYR A 109 11.420 0.238 12.787 1.00 0.00 O ATOM 265 CB TYR A 109 9.471 -1.272 10.412 1.00 0.00 C ATOM 266 CG TYR A 109 8.150 -1.263 9.681 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.060 -0.556 10.206 1.00 0.00 C ATOM 268 CD2 TYR A 109 8.014 -1.965 8.475 1.00 0.00 C ATOM 269 CE1 TYR A 109 5.834 -0.552 9.527 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.789 -1.960 7.795 1.00 0.00 C ATOM 271 CZ TYR A 109 5.699 -1.254 8.321 1.00 0.00 C ATOM 272 OH TYR A 109 4.492 -1.249 7.652 1.00 0.00 O ATOM 0 H TYR A 109 9.223 0.975 9.308 1.00 0.00 H new ATOM 0 HA TYR A 109 9.000 0.041 12.054 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.288 -1.403 9.703 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.509 -2.115 11.102 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.165 -0.014 11.134 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.854 -2.510 8.070 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.994 -0.008 9.933 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.685 -2.500 6.866 1.00 0.00 H new ATOM 0 HH TYR A 109 4.629 -0.941 6.732 1.00 0.00 H new ATOM 282 N SER A 110 12.013 0.200 10.670 1.00 0.00 N ATOM 283 CA SER A 110 13.460 0.322 11.007 1.00 0.00 C ATOM 284 C SER A 110 14.280 0.178 9.723 1.00 0.00 C ATOM 285 O SER A 110 15.338 0.758 9.577 1.00 0.00 O ATOM 286 CB SER A 110 13.854 -0.783 11.988 1.00 0.00 C ATOM 287 OG SER A 110 15.248 -0.698 12.256 1.00 0.00 O ATOM 0 H SER A 110 11.807 0.146 9.673 1.00 0.00 H new ATOM 0 HA SER A 110 13.651 1.293 11.465 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.287 -0.683 12.914 1.00 0.00 H new ATOM 0 HB3 SER A 110 13.611 -1.760 11.570 1.00 0.00 H new ATOM 0 HG SER A 110 15.504 -1.404 12.886 1.00 0.00 H new ATOM 293 N SER A 111 13.791 -0.592 8.790 1.00 0.00 N ATOM 294 CA SER A 111 14.524 -0.782 7.506 1.00 0.00 C ATOM 295 C SER A 111 13.502 -0.937 6.377 1.00 0.00 C ATOM 296 O SER A 111 12.331 -1.131 6.632 1.00 0.00 O ATOM 297 CB SER A 111 15.386 -2.042 7.598 1.00 0.00 C ATOM 298 OG SER A 111 15.780 -2.244 8.949 1.00 0.00 O ATOM 0 H SER A 111 12.910 -1.101 8.862 1.00 0.00 H new ATOM 0 HA SER A 111 15.165 0.077 7.308 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.828 -2.906 7.237 1.00 0.00 H new ATOM 0 HB3 SER A 111 16.265 -1.942 6.962 1.00 0.00 H new ATOM 0 HG SER A 111 16.331 -3.052 9.012 1.00 0.00 H new ATOM 304 N PRO A 112 13.972 -0.847 5.160 1.00 0.00 N ATOM 305 CA PRO A 112 13.111 -0.975 3.975 1.00 0.00 C ATOM 306 C PRO A 112 12.735 -2.439 3.736 1.00 0.00 C ATOM 307 O PRO A 112 13.583 -3.301 3.619 1.00 0.00 O ATOM 308 CB PRO A 112 13.972 -0.418 2.838 1.00 0.00 C ATOM 309 CG PRO A 112 15.440 -0.516 3.313 1.00 0.00 C ATOM 310 CD PRO A 112 15.399 -0.618 4.852 1.00 0.00 C ATOM 0 HA PRO A 112 12.164 -0.444 4.072 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.822 -0.989 1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.703 0.615 2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.930 -1.388 2.880 1.00 0.00 H new ATOM 0 HG3 PRO A 112 16.009 0.359 2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 112 16.021 -1.436 5.214 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.767 0.294 5.322 1.00 0.00 H new ATOM 318 N THR A 113 11.463 -2.717 3.665 1.00 0.00 N ATOM 319 CA THR A 113 11.006 -4.116 3.439 1.00 0.00 C ATOM 320 C THR A 113 10.902 -4.370 1.940 1.00 0.00 C ATOM 321 O THR A 113 11.230 -3.526 1.133 1.00 0.00 O ATOM 322 CB THR A 113 9.633 -4.308 4.085 1.00 0.00 C ATOM 323 OG1 THR A 113 9.518 -3.449 5.211 1.00 0.00 O ATOM 324 CG2 THR A 113 9.474 -5.761 4.534 1.00 0.00 C ATOM 0 H THR A 113 10.715 -2.029 3.755 1.00 0.00 H new ATOM 0 HA THR A 113 11.717 -4.814 3.881 1.00 0.00 H new ATOM 0 HB THR A 113 8.855 -4.068 3.360 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.638 -3.569 5.626 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.495 -5.895 4.994 1.00 0.00 H new ATOM 0 HG22 THR A 113 9.562 -6.420 3.671 1.00 0.00 H new ATOM 0 HG23 THR A 113 10.251 -6.005 5.258 1.00 0.00 H new ATOM 332 N PHE A 114 10.452 -5.527 1.562 1.00 0.00 N ATOM 333 CA PHE A 114 10.334 -5.835 0.111 1.00 0.00 C ATOM 334 C PHE A 114 9.082 -5.160 -0.451 1.00 0.00 C ATOM 335 O PHE A 114 8.431 -4.385 0.221 1.00 0.00 O ATOM 336 CB PHE A 114 10.230 -7.349 -0.086 1.00 0.00 C ATOM 337 CG PHE A 114 11.612 -7.937 -0.251 1.00 0.00 C ATOM 338 CD1 PHE A 114 12.354 -8.308 0.878 1.00 0.00 C ATOM 339 CD2 PHE A 114 12.150 -8.114 -1.533 1.00 0.00 C ATOM 340 CE1 PHE A 114 13.635 -8.856 0.725 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.430 -8.662 -1.686 1.00 0.00 C ATOM 342 CZ PHE A 114 14.173 -9.033 -0.557 1.00 0.00 C ATOM 0 H PHE A 114 10.160 -6.274 2.192 1.00 0.00 H new ATOM 0 HA PHE A 114 11.215 -5.463 -0.412 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.731 -7.803 0.770 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.623 -7.570 -0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 114 11.939 -8.172 1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.578 -7.828 -2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 114 14.207 -9.142 1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 114 13.844 -8.799 -2.674 1.00 0.00 H new ATOM 0 HZ PHE A 114 15.160 -9.455 -0.675 1.00 0.00 H new ATOM 352 N CYS A 115 8.750 -5.434 -1.683 1.00 0.00 N ATOM 353 CA CYS A 115 7.551 -4.789 -2.287 1.00 0.00 C ATOM 354 C CYS A 115 6.609 -5.854 -2.853 1.00 0.00 C ATOM 355 O CYS A 115 7.023 -6.769 -3.541 1.00 0.00 O ATOM 356 CB CYS A 115 8.009 -3.849 -3.399 1.00 0.00 C ATOM 357 SG CYS A 115 6.593 -3.296 -4.377 1.00 0.00 S ATOM 0 H CYS A 115 9.255 -6.074 -2.295 1.00 0.00 H new ATOM 0 HA CYS A 115 7.013 -4.225 -1.525 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.521 -2.988 -2.969 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.727 -4.358 -4.042 1.00 0.00 H new ATOM 362 N ASP A 116 5.342 -5.734 -2.564 1.00 0.00 N ATOM 363 CA ASP A 116 4.351 -6.730 -3.071 1.00 0.00 C ATOM 364 C ASP A 116 3.834 -6.305 -4.444 1.00 0.00 C ATOM 365 O ASP A 116 2.692 -6.538 -4.791 1.00 0.00 O ATOM 366 CB ASP A 116 3.169 -6.815 -2.109 1.00 0.00 C ATOM 367 CG ASP A 116 2.812 -5.417 -1.599 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.320 -4.628 -2.388 1.00 0.00 O ATOM 369 OD2 ASP A 116 3.039 -5.161 -0.428 1.00 0.00 O ATOM 0 H ASP A 116 4.947 -4.985 -1.995 1.00 0.00 H new ATOM 0 HA ASP A 116 4.841 -7.700 -3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.310 -7.258 -2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.417 -7.465 -1.270 1.00 0.00 H new ATOM 374 N HIS A 117 4.663 -5.685 -5.224 1.00 0.00 N ATOM 375 CA HIS A 117 4.229 -5.240 -6.579 1.00 0.00 C ATOM 376 C HIS A 117 5.372 -5.444 -7.574 1.00 0.00 C ATOM 377 O HIS A 117 5.156 -5.775 -8.723 1.00 0.00 O ATOM 378 CB HIS A 117 3.852 -3.757 -6.532 1.00 0.00 C ATOM 379 CG HIS A 117 3.595 -3.260 -7.928 1.00 0.00 C ATOM 380 ND1 HIS A 117 4.404 -3.173 -9.035 1.00 0.00 N flip ATOM 381 CD2 HIS A 117 2.361 -2.766 -8.322 1.00 0.00 C flip ATOM 382 CE1 HIS A 117 3.686 -2.636 -10.099 1.00 0.00 C flip ATOM 383 NE2 HIS A 117 2.462 -2.408 -9.615 1.00 0.00 N flip ATOM 0 H HIS A 117 5.630 -5.463 -4.985 1.00 0.00 H new ATOM 0 HA HIS A 117 3.365 -5.825 -6.894 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.964 -3.616 -5.915 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.655 -3.181 -6.072 1.00 0.00 H new ATOM 0 HD2 HIS A 117 1.479 -2.684 -7.704 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.042 -2.445 -11.101 1.00 0.00 H new ATOM 0 HE2 HIS A 117 1.697 -2.011 -10.160 1.00 0.00 H new ATOM 391 N CYS A 118 6.587 -5.251 -7.143 1.00 0.00 N ATOM 392 CA CYS A 118 7.742 -5.434 -8.060 1.00 0.00 C ATOM 393 C CYS A 118 8.620 -6.576 -7.539 1.00 0.00 C ATOM 394 O CYS A 118 9.492 -7.066 -8.230 1.00 0.00 O ATOM 395 CB CYS A 118 8.554 -4.139 -8.111 1.00 0.00 C ATOM 396 SG CYS A 118 8.924 -3.599 -6.423 1.00 0.00 S ATOM 0 H CYS A 118 6.829 -4.974 -6.192 1.00 0.00 H new ATOM 0 HA CYS A 118 7.388 -5.677 -9.062 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.479 -4.298 -8.665 1.00 0.00 H new ATOM 0 HB3 CYS A 118 7.995 -3.366 -8.638 1.00 0.00 H new ATOM 401 N GLY A 119 8.394 -7.005 -6.326 1.00 0.00 N ATOM 402 CA GLY A 119 9.212 -8.114 -5.763 1.00 0.00 C ATOM 403 C GLY A 119 10.650 -7.638 -5.560 1.00 0.00 C ATOM 404 O GLY A 119 11.593 -8.284 -5.976 1.00 0.00 O ATOM 0 H GLY A 119 7.678 -6.634 -5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.790 -8.445 -4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.193 -8.971 -6.436 1.00 0.00 H new ATOM 408 N SER A 120 10.830 -6.513 -4.924 1.00 0.00 N ATOM 409 CA SER A 120 12.210 -6.000 -4.697 1.00 0.00 C ATOM 410 C SER A 120 12.276 -5.281 -3.349 1.00 0.00 C ATOM 411 O SER A 120 11.265 -4.967 -2.751 1.00 0.00 O ATOM 412 CB SER A 120 12.580 -5.024 -5.815 1.00 0.00 C ATOM 413 OG SER A 120 12.340 -5.638 -7.074 1.00 0.00 O ATOM 0 H SER A 120 10.082 -5.928 -4.552 1.00 0.00 H new ATOM 0 HA SER A 120 12.911 -6.835 -4.695 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.992 -4.111 -5.725 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.628 -4.738 -5.731 1.00 0.00 H new ATOM 0 HG SER A 120 12.575 -5.014 -7.792 1.00 0.00 H new ATOM 419 N LEU A 121 13.459 -5.016 -2.865 1.00 0.00 N ATOM 420 CA LEU A 121 13.590 -4.315 -1.555 1.00 0.00 C ATOM 421 C LEU A 121 13.616 -2.803 -1.773 1.00 0.00 C ATOM 422 O LEU A 121 14.292 -2.300 -2.648 1.00 0.00 O ATOM 423 CB LEU A 121 14.882 -4.749 -0.861 1.00 0.00 C ATOM 424 CG LEU A 121 14.594 -5.943 0.047 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.896 -6.692 0.335 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.992 -5.440 1.364 1.00 0.00 C ATOM 0 H LEU A 121 14.340 -5.254 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 121 12.736 -4.575 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.634 -5.016 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.289 -3.924 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 121 13.892 -6.616 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.690 -7.544 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.328 -7.045 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.599 -6.022 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.784 -6.288 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.698 -4.770 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.065 -4.904 1.159 1.00 0.00 H new ATOM 438 N LEU A 122 12.884 -2.078 -0.975 1.00 0.00 N ATOM 439 CA LEU A 122 12.861 -0.596 -1.121 1.00 0.00 C ATOM 440 C LEU A 122 14.279 -0.046 -0.955 1.00 0.00 C ATOM 441 O LEU A 122 14.696 0.301 0.132 1.00 0.00 O ATOM 442 CB LEU A 122 11.950 0.009 -0.050 1.00 0.00 C ATOM 443 CG LEU A 122 10.579 -0.667 -0.097 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.961 -0.668 1.303 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.663 0.099 -1.054 1.00 0.00 C ATOM 0 H LEU A 122 12.299 -2.449 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 122 12.483 -0.334 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.396 -0.120 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.843 1.081 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 122 10.694 -1.693 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.984 -1.150 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.611 -1.213 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.847 0.359 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.686 -0.383 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.549 1.125 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.100 0.101 -2.052 1.00 0.00 H new ATOM 457 N TYR A 123 15.020 0.039 -2.025 1.00 0.00 N ATOM 458 CA TYR A 123 16.409 0.570 -1.929 1.00 0.00 C ATOM 459 C TYR A 123 16.365 2.003 -1.398 1.00 0.00 C ATOM 460 O TYR A 123 15.346 2.468 -0.930 1.00 0.00 O ATOM 461 CB TYR A 123 17.054 0.561 -3.317 1.00 0.00 C ATOM 462 CG TYR A 123 17.667 -0.793 -3.580 1.00 0.00 C ATOM 463 CD1 TYR A 123 18.604 -1.324 -2.683 1.00 0.00 C ATOM 464 CD2 TYR A 123 17.302 -1.518 -4.722 1.00 0.00 C ATOM 465 CE1 TYR A 123 19.175 -2.580 -2.928 1.00 0.00 C ATOM 466 CE2 TYR A 123 17.872 -2.774 -4.967 1.00 0.00 C ATOM 467 CZ TYR A 123 18.808 -3.305 -4.069 1.00 0.00 C ATOM 468 OH TYR A 123 19.370 -4.543 -4.309 1.00 0.00 O ATOM 0 H TYR A 123 14.724 -0.236 -2.962 1.00 0.00 H new ATOM 0 HA TYR A 123 16.994 -0.053 -1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.307 0.788 -4.078 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.818 1.336 -3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 123 18.886 -0.765 -1.803 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.581 -1.108 -5.414 1.00 0.00 H new ATOM 0 HE1 TYR A 123 19.898 -2.989 -2.237 1.00 0.00 H new ATOM 0 HE2 TYR A 123 17.590 -3.333 -5.847 1.00 0.00 H new ATOM 0 HH TYR A 123 19.006 -4.912 -5.141 1.00 0.00 H new ATOM 478 N GLY A 124 17.461 2.708 -1.467 1.00 0.00 N ATOM 479 CA GLY A 124 17.474 4.112 -0.967 1.00 0.00 C ATOM 480 C GLY A 124 16.499 4.953 -1.795 1.00 0.00 C ATOM 481 O GLY A 124 16.868 5.554 -2.783 1.00 0.00 O ATOM 0 H GLY A 124 18.346 2.373 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.192 4.138 0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.480 4.526 -1.037 1.00 0.00 H new ATOM 485 N LEU A 125 15.257 4.997 -1.398 1.00 0.00 N ATOM 486 CA LEU A 125 14.258 5.796 -2.164 1.00 0.00 C ATOM 487 C LEU A 125 13.215 6.370 -1.202 1.00 0.00 C ATOM 488 O LEU A 125 12.762 7.487 -1.357 1.00 0.00 O ATOM 489 CB LEU A 125 13.564 4.898 -3.190 1.00 0.00 C ATOM 490 CG LEU A 125 14.613 4.218 -4.070 1.00 0.00 C ATOM 491 CD1 LEU A 125 13.938 3.168 -4.954 1.00 0.00 C ATOM 492 CD2 LEU A 125 15.293 5.265 -4.954 1.00 0.00 C ATOM 0 H LEU A 125 14.891 4.515 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 125 14.765 6.612 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.960 4.147 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.886 5.489 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 125 15.358 3.735 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 125 14.687 2.684 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 125 13.453 2.421 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.192 3.650 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 125 16.041 4.781 -5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 125 14.547 5.748 -5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.776 6.013 -4.326 1.00 0.00 H new ATOM 504 N VAL A 126 12.827 5.614 -0.211 1.00 0.00 N ATOM 505 CA VAL A 126 11.811 6.117 0.756 1.00 0.00 C ATOM 506 C VAL A 126 12.197 5.677 2.168 1.00 0.00 C ATOM 507 O VAL A 126 12.743 4.608 2.365 1.00 0.00 O ATOM 508 CB VAL A 126 10.438 5.542 0.403 1.00 0.00 C ATOM 509 CG1 VAL A 126 9.762 6.435 -0.639 1.00 0.00 C ATOM 510 CG2 VAL A 126 10.610 4.132 -0.170 1.00 0.00 C ATOM 0 H VAL A 126 13.170 4.671 -0.030 1.00 0.00 H new ATOM 0 HA VAL A 126 11.771 7.205 0.708 1.00 0.00 H new ATOM 0 HB VAL A 126 9.820 5.500 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.784 6.025 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.641 7.440 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.379 6.478 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.633 3.720 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.228 4.177 -1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.092 3.494 0.571 1.00 0.00 H new ATOM 520 N HIS A 127 11.917 6.484 3.154 1.00 0.00 N ATOM 521 CA HIS A 127 12.267 6.099 4.550 1.00 0.00 C ATOM 522 C HIS A 127 11.862 4.643 4.777 1.00 0.00 C ATOM 523 O HIS A 127 12.434 3.945 5.590 1.00 0.00 O ATOM 524 CB HIS A 127 11.516 6.999 5.533 1.00 0.00 C ATOM 525 CG HIS A 127 12.181 6.930 6.880 1.00 0.00 C ATOM 526 ND1 HIS A 127 11.458 6.848 8.059 1.00 0.00 N ATOM 527 CD2 HIS A 127 13.503 6.930 7.251 1.00 0.00 C ATOM 528 CE1 HIS A 127 12.339 6.802 9.074 1.00 0.00 C ATOM 529 NE2 HIS A 127 13.601 6.848 8.637 1.00 0.00 N ATOM 0 H HIS A 127 11.462 7.391 3.054 1.00 0.00 H new ATOM 0 HA HIS A 127 13.339 6.214 4.708 1.00 0.00 H new ATOM 0 HB2 HIS A 127 11.510 8.027 5.170 1.00 0.00 H new ATOM 0 HB3 HIS A 127 10.476 6.682 5.612 1.00 0.00 H new ATOM 0 HD2 HIS A 127 14.340 6.985 6.571 1.00 0.00 H new ATOM 0 HE1 HIS A 127 12.061 6.736 10.115 1.00 0.00 H new ATOM 0 HE2 HIS A 127 14.453 6.827 9.198 1.00 0.00 H new ATOM 537 N GLN A 128 10.878 4.182 4.058 1.00 0.00 N ATOM 538 CA GLN A 128 10.424 2.774 4.219 1.00 0.00 C ATOM 539 C GLN A 128 9.460 2.429 3.084 1.00 0.00 C ATOM 540 O GLN A 128 9.379 3.127 2.093 1.00 0.00 O ATOM 541 CB GLN A 128 9.712 2.618 5.562 1.00 0.00 C ATOM 542 CG GLN A 128 10.604 1.836 6.529 1.00 0.00 C ATOM 543 CD GLN A 128 10.238 0.352 6.474 1.00 0.00 C ATOM 544 OE1 GLN A 128 10.253 -0.269 5.327 1.00 0.00 O flip ATOM 545 NE2 GLN A 128 9.936 -0.249 7.486 1.00 0.00 N flip ATOM 0 H GLN A 128 10.366 4.724 3.362 1.00 0.00 H new ATOM 0 HA GLN A 128 11.283 2.103 4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.480 3.598 5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 128 8.764 2.098 5.424 1.00 0.00 H new ATOM 0 HG2 GLN A 128 11.653 1.973 6.265 1.00 0.00 H new ATOM 0 HG3 GLN A 128 10.479 2.215 7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 128 9.924 0.236 8.383 1.00 0.00 H new ATOM 0 HE22 GLN A 128 9.694 -1.239 7.438 1.00 0.00 H new ATOM 554 N GLY A 129 8.723 1.362 3.219 1.00 0.00 N ATOM 555 CA GLY A 129 7.763 0.984 2.145 1.00 0.00 C ATOM 556 C GLY A 129 6.441 1.716 2.374 1.00 0.00 C ATOM 557 O GLY A 129 6.102 2.071 3.485 1.00 0.00 O ATOM 0 H GLY A 129 8.744 0.737 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.171 1.242 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.601 -0.094 2.148 1.00 0.00 H new ATOM 561 N MET A 130 5.686 1.943 1.333 1.00 0.00 N ATOM 562 CA MET A 130 4.386 2.647 1.505 1.00 0.00 C ATOM 563 C MET A 130 3.295 1.613 1.778 1.00 0.00 C ATOM 564 O MET A 130 2.893 0.874 0.901 1.00 0.00 O ATOM 565 CB MET A 130 4.052 3.428 0.231 1.00 0.00 C ATOM 566 CG MET A 130 5.345 3.928 -0.420 1.00 0.00 C ATOM 567 SD MET A 130 6.386 4.729 0.827 1.00 0.00 S ATOM 568 CE MET A 130 5.958 6.437 0.414 1.00 0.00 C ATOM 0 H MET A 130 5.913 1.672 0.376 1.00 0.00 H new ATOM 0 HA MET A 130 4.450 3.343 2.341 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.505 2.792 -0.465 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.403 4.271 0.469 1.00 0.00 H new ATOM 0 HG2 MET A 130 5.881 3.094 -0.874 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.113 4.631 -1.220 1.00 0.00 H new ATOM 0 HE1 MET A 130 6.867 6.996 0.190 1.00 0.00 H new ATOM 0 HE2 MET A 130 5.302 6.447 -0.456 1.00 0.00 H new ATOM 0 HE3 MET A 130 5.447 6.899 1.259 1.00 0.00 H new ATOM 578 N LYS A 131 2.824 1.544 2.991 1.00 0.00 N ATOM 579 CA LYS A 131 1.774 0.543 3.324 1.00 0.00 C ATOM 580 C LYS A 131 0.387 1.134 3.081 1.00 0.00 C ATOM 581 O LYS A 131 0.030 2.161 3.623 1.00 0.00 O ATOM 582 CB LYS A 131 1.900 0.145 4.794 1.00 0.00 C ATOM 583 CG LYS A 131 0.894 -0.963 5.112 1.00 0.00 C ATOM 584 CD LYS A 131 0.730 -1.086 6.628 1.00 0.00 C ATOM 585 CE LYS A 131 -0.637 -0.535 7.040 1.00 0.00 C ATOM 586 NZ LYS A 131 -1.040 -1.135 8.343 1.00 0.00 N ATOM 0 H LYS A 131 3.121 2.137 3.766 1.00 0.00 H new ATOM 0 HA LYS A 131 1.906 -0.333 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 131 2.913 -0.198 5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.718 1.010 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -0.067 -0.740 4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.236 -1.910 4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.820 -2.129 6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 131 1.523 -0.537 7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -0.593 0.551 7.125 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -1.380 -0.765 6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -1.969 -0.762 8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -1.097 -2.169 8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -0.335 -0.894 9.069 1.00 0.00 H new ATOM 600 N CYS A 132 -0.400 0.481 2.274 1.00 0.00 N ATOM 601 CA CYS A 132 -1.770 0.985 1.991 1.00 0.00 C ATOM 602 C CYS A 132 -2.594 0.946 3.280 1.00 0.00 C ATOM 603 O CYS A 132 -2.718 -0.080 3.919 1.00 0.00 O ATOM 604 CB CYS A 132 -2.426 0.097 0.929 1.00 0.00 C ATOM 605 SG CYS A 132 -4.200 0.447 0.841 1.00 0.00 S ATOM 0 H CYS A 132 -0.151 -0.385 1.796 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.721 2.010 1.623 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.963 0.274 -0.042 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.266 -0.953 1.172 1.00 0.00 H new ATOM 610 N SER A 133 -3.157 2.058 3.664 1.00 0.00 N ATOM 611 CA SER A 133 -3.975 2.090 4.910 1.00 0.00 C ATOM 612 C SER A 133 -5.403 1.636 4.598 1.00 0.00 C ATOM 613 O SER A 133 -6.365 2.234 5.038 1.00 0.00 O ATOM 614 CB SER A 133 -4.000 3.515 5.466 1.00 0.00 C ATOM 615 OG SER A 133 -2.976 4.279 4.845 1.00 0.00 O ATOM 0 H SER A 133 -3.086 2.947 3.169 1.00 0.00 H new ATOM 0 HA SER A 133 -3.537 1.419 5.649 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.972 3.972 5.283 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.854 3.499 6.546 1.00 0.00 H new ATOM 0 HG SER A 133 -3.193 4.408 3.898 1.00 0.00 H new ATOM 621 N CYS A 134 -5.548 0.582 3.841 1.00 0.00 N ATOM 622 CA CYS A 134 -6.911 0.088 3.500 1.00 0.00 C ATOM 623 C CYS A 134 -6.872 -1.431 3.320 1.00 0.00 C ATOM 624 O CYS A 134 -7.783 -2.135 3.709 1.00 0.00 O ATOM 625 CB CYS A 134 -7.383 0.742 2.200 1.00 0.00 C ATOM 626 SG CYS A 134 -8.469 2.138 2.586 1.00 0.00 S ATOM 0 H CYS A 134 -4.779 0.042 3.444 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.600 0.343 4.305 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.526 1.084 1.620 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.913 0.014 1.586 1.00 0.00 H new ATOM 0 HG CYS A 134 -8.083 2.694 3.696 1.00 0.00 H new ATOM 632 N CYS A 135 -5.826 -1.944 2.730 1.00 0.00 N ATOM 633 CA CYS A 135 -5.735 -3.417 2.525 1.00 0.00 C ATOM 634 C CYS A 135 -4.339 -3.909 2.918 1.00 0.00 C ATOM 635 O CYS A 135 -4.018 -5.072 2.771 1.00 0.00 O ATOM 636 CB CYS A 135 -5.996 -3.743 1.052 1.00 0.00 C ATOM 637 SG CYS A 135 -4.597 -3.183 0.047 1.00 0.00 S ATOM 0 H CYS A 135 -5.032 -1.407 2.382 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.479 -3.914 3.147 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.140 -4.816 0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.913 -3.257 0.719 1.00 0.00 H new ATOM 642 N GLU A 136 -3.504 -3.036 3.416 1.00 0.00 N ATOM 643 CA GLU A 136 -2.130 -3.460 3.812 1.00 0.00 C ATOM 644 C GLU A 136 -1.333 -3.826 2.559 1.00 0.00 C ATOM 645 O GLU A 136 -1.159 -4.984 2.235 1.00 0.00 O ATOM 646 CB GLU A 136 -2.214 -4.675 4.738 1.00 0.00 C ATOM 647 CG GLU A 136 -3.224 -4.397 5.855 1.00 0.00 C ATOM 648 CD GLU A 136 -4.387 -5.385 5.750 1.00 0.00 C ATOM 649 OE1 GLU A 136 -4.142 -6.573 5.880 1.00 0.00 O ATOM 650 OE2 GLU A 136 -5.503 -4.938 5.542 1.00 0.00 O ATOM 0 H GLU A 136 -3.714 -2.049 3.565 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.634 -2.643 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.515 -5.557 4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.234 -4.889 5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -2.741 -4.490 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.594 -3.374 5.779 1.00 0.00 H new ATOM 657 N MET A 137 -0.850 -2.844 1.849 1.00 0.00 N ATOM 658 CA MET A 137 -0.067 -3.127 0.612 1.00 0.00 C ATOM 659 C MET A 137 1.215 -2.291 0.617 1.00 0.00 C ATOM 660 O MET A 137 1.191 -1.100 0.380 1.00 0.00 O ATOM 661 CB MET A 137 -0.909 -2.764 -0.612 1.00 0.00 C ATOM 662 CG MET A 137 -0.528 -3.672 -1.782 1.00 0.00 C ATOM 663 SD MET A 137 -1.776 -4.968 -1.966 1.00 0.00 S ATOM 664 CE MET A 137 -1.614 -5.186 -3.754 1.00 0.00 C ATOM 0 H MET A 137 -0.964 -1.855 2.072 1.00 0.00 H new ATOM 0 HA MET A 137 0.192 -4.185 0.577 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.969 -2.874 -0.383 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.748 -1.720 -0.881 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.455 -3.089 -2.700 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.452 -4.117 -1.608 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.308 -5.956 -4.091 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.843 -4.247 -4.257 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.594 -5.487 -3.993 1.00 0.00 H new ATOM 674 N ASN A 138 2.336 -2.904 0.885 1.00 0.00 N ATOM 675 CA ASN A 138 3.616 -2.142 0.907 1.00 0.00 C ATOM 676 C ASN A 138 4.246 -2.150 -0.488 1.00 0.00 C ATOM 677 O ASN A 138 4.592 -3.187 -1.016 1.00 0.00 O ATOM 678 CB ASN A 138 4.578 -2.794 1.902 1.00 0.00 C ATOM 679 CG ASN A 138 3.914 -2.874 3.277 1.00 0.00 C ATOM 680 OD1 ASN A 138 3.414 -1.887 3.783 1.00 0.00 O ATOM 681 ND2 ASN A 138 3.884 -4.015 3.910 1.00 0.00 N ATOM 0 H ASN A 138 2.420 -3.900 1.090 1.00 0.00 H new ATOM 0 HA ASN A 138 3.418 -1.113 1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.851 -3.792 1.560 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.500 -2.216 1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.442 -4.078 4.827 1.00 0.00 H new ATOM 0 HD22 ASN A 138 4.303 -4.844 3.488 1.00 0.00 H new ATOM 688 N VAL A 139 4.401 -1.000 -1.089 1.00 0.00 N ATOM 689 CA VAL A 139 5.011 -0.946 -2.448 1.00 0.00 C ATOM 690 C VAL A 139 5.909 0.288 -2.561 1.00 0.00 C ATOM 691 O VAL A 139 5.755 1.247 -1.832 1.00 0.00 O ATOM 692 CB VAL A 139 3.909 -0.866 -3.507 1.00 0.00 C ATOM 693 CG1 VAL A 139 3.111 -2.170 -3.518 1.00 0.00 C ATOM 694 CG2 VAL A 139 2.972 0.300 -3.178 1.00 0.00 C ATOM 0 H VAL A 139 4.132 -0.097 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 139 5.605 -1.846 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 139 4.360 -0.709 -4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.327 -2.110 -4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.776 -3.002 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.660 -2.329 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.186 0.359 -3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.524 0.141 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.538 1.231 -3.171 1.00 0.00 H new ATOM 704 N HIS A 140 6.845 0.271 -3.472 1.00 0.00 N ATOM 705 CA HIS A 140 7.750 1.444 -3.635 1.00 0.00 C ATOM 706 C HIS A 140 6.929 2.682 -3.999 1.00 0.00 C ATOM 707 O HIS A 140 5.723 2.622 -4.140 1.00 0.00 O ATOM 708 CB HIS A 140 8.748 1.158 -4.757 1.00 0.00 C ATOM 709 CG HIS A 140 9.603 -0.010 -4.368 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.295 -1.308 -4.739 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.756 -0.092 -3.631 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.249 -2.111 -4.227 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.163 -1.418 -3.542 1.00 0.00 N ATOM 0 H HIS A 140 7.021 -0.505 -4.110 1.00 0.00 H new ATOM 0 HA HIS A 140 8.282 1.622 -2.701 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.219 0.944 -5.685 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.370 2.035 -4.940 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.270 0.747 -3.187 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.272 -3.183 -4.355 1.00 0.00 H new ATOM 0 HE2 HIS A 140 11.983 -1.783 -3.058 1.00 0.00 H new ATOM 720 N ARG A 141 7.576 3.803 -4.161 1.00 0.00 N ATOM 721 CA ARG A 141 6.838 5.044 -4.525 1.00 0.00 C ATOM 722 C ARG A 141 6.842 5.207 -6.048 1.00 0.00 C ATOM 723 O ARG A 141 6.342 6.177 -6.580 1.00 0.00 O ATOM 724 CB ARG A 141 7.520 6.253 -3.881 1.00 0.00 C ATOM 725 CG ARG A 141 6.845 6.568 -2.545 1.00 0.00 C ATOM 726 CD ARG A 141 6.522 8.062 -2.475 1.00 0.00 C ATOM 727 NE ARG A 141 5.051 8.247 -2.323 1.00 0.00 N ATOM 728 CZ ARG A 141 4.518 9.421 -2.525 1.00 0.00 C ATOM 729 NH1 ARG A 141 4.967 10.187 -3.482 1.00 0.00 N ATOM 730 NH2 ARG A 141 3.535 9.831 -1.769 1.00 0.00 N ATOM 0 H ARG A 141 8.585 3.913 -4.057 1.00 0.00 H new ATOM 0 HA ARG A 141 5.811 4.975 -4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 141 8.579 6.047 -3.726 1.00 0.00 H new ATOM 0 HB3 ARG A 141 7.457 7.115 -4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 141 5.932 5.983 -2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 141 7.500 6.288 -1.720 1.00 0.00 H new ATOM 0 HD2 ARG A 141 7.045 8.519 -1.635 1.00 0.00 H new ATOM 0 HD3 ARG A 141 6.871 8.563 -3.378 1.00 0.00 H new ATOM 0 HE ARG A 141 4.461 7.457 -2.061 1.00 0.00 H new ATOM 0 HH11 ARG A 141 5.735 9.868 -4.073 1.00 0.00 H new ATOM 0 HH12 ARG A 141 4.550 11.104 -3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 141 3.184 9.234 -1.021 1.00 0.00 H new ATOM 0 HH22 ARG A 141 3.119 10.749 -1.927 1.00 0.00 H new ATOM 744 N ARG A 142 7.404 4.261 -6.754 1.00 0.00 N ATOM 745 CA ARG A 142 7.440 4.361 -8.240 1.00 0.00 C ATOM 746 C ARG A 142 6.591 3.240 -8.844 1.00 0.00 C ATOM 747 O ARG A 142 6.116 3.339 -9.958 1.00 0.00 O ATOM 748 CB ARG A 142 8.884 4.223 -8.726 1.00 0.00 C ATOM 749 CG ARG A 142 9.566 3.072 -7.982 1.00 0.00 C ATOM 750 CD ARG A 142 10.441 2.281 -8.956 1.00 0.00 C ATOM 751 NE ARG A 142 11.320 3.220 -9.707 1.00 0.00 N ATOM 752 CZ ARG A 142 11.614 2.982 -10.956 1.00 0.00 C ATOM 753 NH1 ARG A 142 10.660 2.812 -11.830 1.00 0.00 N ATOM 754 NH2 ARG A 142 12.862 2.916 -11.331 1.00 0.00 N ATOM 0 H ARG A 142 7.839 3.425 -6.365 1.00 0.00 H new ATOM 0 HA ARG A 142 7.043 5.328 -8.550 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.901 4.037 -9.800 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.427 5.153 -8.555 1.00 0.00 H new ATOM 0 HG2 ARG A 142 10.174 3.462 -7.166 1.00 0.00 H new ATOM 0 HG3 ARG A 142 8.816 2.418 -7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.046 1.556 -8.412 1.00 0.00 H new ATOM 0 HD3 ARG A 142 9.816 1.718 -9.649 1.00 0.00 H new ATOM 0 HE ARG A 142 11.692 4.050 -9.245 1.00 0.00 H new ATOM 0 HH11 ARG A 142 9.684 2.865 -11.537 1.00 0.00 H new ATOM 0 HH12 ARG A 142 10.890 2.626 -12.806 1.00 0.00 H new ATOM 0 HH21 ARG A 142 13.608 3.050 -10.648 1.00 0.00 H new ATOM 0 HH22 ARG A 142 13.092 2.730 -12.307 1.00 0.00 H new ATOM 768 N CYS A 143 6.395 2.172 -8.118 1.00 0.00 N ATOM 769 CA CYS A 143 5.578 1.047 -8.650 1.00 0.00 C ATOM 770 C CYS A 143 4.109 1.259 -8.275 1.00 0.00 C ATOM 771 O CYS A 143 3.226 0.607 -8.795 1.00 0.00 O ATOM 772 CB CYS A 143 6.072 -0.271 -8.054 1.00 0.00 C ATOM 773 SG CYS A 143 6.036 -0.176 -6.258 1.00 0.00 S ATOM 0 H CYS A 143 6.767 2.031 -7.179 1.00 0.00 H new ATOM 0 HA CYS A 143 5.674 1.012 -9.735 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.445 -1.094 -8.397 1.00 0.00 H new ATOM 0 HB3 CYS A 143 7.086 -0.479 -8.396 1.00 0.00 H new ATOM 778 N VAL A 144 3.842 2.169 -7.378 1.00 0.00 N ATOM 779 CA VAL A 144 2.431 2.423 -6.977 1.00 0.00 C ATOM 780 C VAL A 144 1.661 2.990 -8.171 1.00 0.00 C ATOM 781 O VAL A 144 0.472 2.783 -8.314 1.00 0.00 O ATOM 782 CB VAL A 144 2.400 3.431 -5.825 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.957 3.858 -5.553 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.984 2.784 -4.566 1.00 0.00 C ATOM 0 H VAL A 144 4.539 2.746 -6.907 1.00 0.00 H new ATOM 0 HA VAL A 144 1.970 1.490 -6.654 1.00 0.00 H new ATOM 0 HB VAL A 144 2.991 4.306 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.938 4.575 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.539 4.319 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.363 2.984 -5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.962 3.501 -3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.392 1.908 -4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 144 4.014 2.481 -4.757 1.00 0.00 H new ATOM 794 N ARG A 145 2.333 3.706 -9.033 1.00 0.00 N ATOM 795 CA ARG A 145 1.642 4.287 -10.220 1.00 0.00 C ATOM 796 C ARG A 145 1.388 3.188 -11.254 1.00 0.00 C ATOM 797 O ARG A 145 0.661 3.378 -12.208 1.00 0.00 O ATOM 798 CB ARG A 145 2.521 5.377 -10.837 1.00 0.00 C ATOM 799 CG ARG A 145 1.642 6.362 -11.612 1.00 0.00 C ATOM 800 CD ARG A 145 1.299 5.772 -12.981 1.00 0.00 C ATOM 801 NE ARG A 145 1.423 6.829 -14.022 1.00 0.00 N ATOM 802 CZ ARG A 145 2.202 6.644 -15.052 1.00 0.00 C ATOM 803 NH1 ARG A 145 1.781 5.948 -16.072 1.00 0.00 N ATOM 804 NH2 ARG A 145 3.403 7.154 -15.062 1.00 0.00 N ATOM 0 H ARG A 145 3.329 3.913 -8.966 1.00 0.00 H new ATOM 0 HA ARG A 145 0.690 4.719 -9.911 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.072 5.901 -10.056 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.260 4.930 -11.503 1.00 0.00 H new ATOM 0 HG2 ARG A 145 0.729 6.568 -11.054 1.00 0.00 H new ATOM 0 HG3 ARG A 145 2.162 7.312 -11.734 1.00 0.00 H new ATOM 0 HD2 ARG A 145 1.968 4.942 -13.209 1.00 0.00 H new ATOM 0 HD3 ARG A 145 0.285 5.372 -12.973 1.00 0.00 H new ATOM 0 HE ARG A 145 0.898 7.699 -13.930 1.00 0.00 H new ATOM 0 HH11 ARG A 145 0.843 5.548 -16.064 1.00 0.00 H new ATOM 0 HH12 ARG A 145 2.390 5.804 -16.877 1.00 0.00 H new ATOM 0 HH21 ARG A 145 3.733 7.697 -14.264 1.00 0.00 H new ATOM 0 HH22 ARG A 145 4.012 7.009 -15.867 1.00 0.00 H new ATOM 818 N SER A 146 1.978 2.040 -11.070 1.00 0.00 N ATOM 819 CA SER A 146 1.764 0.930 -12.041 1.00 0.00 C ATOM 820 C SER A 146 0.557 0.101 -11.601 1.00 0.00 C ATOM 821 O SER A 146 -0.002 -0.657 -12.368 1.00 0.00 O ATOM 822 CB SER A 146 3.006 0.039 -12.082 1.00 0.00 C ATOM 823 OG SER A 146 4.169 0.847 -11.964 1.00 0.00 O ATOM 0 H SER A 146 2.599 1.822 -10.290 1.00 0.00 H new ATOM 0 HA SER A 146 1.583 1.343 -13.033 1.00 0.00 H new ATOM 0 HB2 SER A 146 2.972 -0.689 -11.272 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.033 -0.523 -13.015 1.00 0.00 H new ATOM 0 HG SER A 146 4.967 0.278 -11.988 1.00 0.00 H new ATOM 829 N VAL A 147 0.150 0.241 -10.368 1.00 0.00 N ATOM 830 CA VAL A 147 -1.023 -0.536 -9.879 1.00 0.00 C ATOM 831 C VAL A 147 -2.306 0.074 -10.453 1.00 0.00 C ATOM 832 O VAL A 147 -2.418 1.279 -10.560 1.00 0.00 O ATOM 833 CB VAL A 147 -1.068 -0.478 -8.350 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.823 -1.694 -7.811 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.360 -0.481 -7.800 1.00 0.00 C ATOM 0 H VAL A 147 0.579 0.859 -9.680 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.937 -1.574 -10.200 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.579 0.432 -8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.853 -1.650 -6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.840 -1.694 -8.203 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.314 -2.606 -8.123 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.331 -0.440 -6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.869 -1.392 -8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 147 0.899 0.386 -8.182 1.00 0.00 H new ATOM 845 N PRO A 148 -3.237 -0.776 -10.805 1.00 0.00 N ATOM 846 CA PRO A 148 -4.527 -0.347 -11.373 1.00 0.00 C ATOM 847 C PRO A 148 -5.455 0.164 -10.267 1.00 0.00 C ATOM 848 O PRO A 148 -6.604 0.480 -10.504 1.00 0.00 O ATOM 849 CB PRO A 148 -5.083 -1.622 -12.010 1.00 0.00 C ATOM 850 CG PRO A 148 -4.382 -2.805 -11.299 1.00 0.00 C ATOM 851 CD PRO A 148 -3.093 -2.241 -10.672 1.00 0.00 C ATOM 0 HA PRO A 148 -4.430 0.470 -12.087 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.164 -1.679 -11.885 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.884 -1.640 -13.082 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.029 -3.235 -10.534 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.152 -3.601 -12.007 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.995 -2.538 -9.628 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -2.206 -2.603 -11.192 1.00 0.00 H new ATOM 859 N SER A 149 -4.966 0.246 -9.060 1.00 0.00 N ATOM 860 CA SER A 149 -5.820 0.735 -7.941 1.00 0.00 C ATOM 861 C SER A 149 -6.864 -0.327 -7.598 1.00 0.00 C ATOM 862 O SER A 149 -8.043 -0.151 -7.834 1.00 0.00 O ATOM 863 CB SER A 149 -6.521 2.026 -8.363 1.00 0.00 C ATOM 864 OG SER A 149 -6.125 3.081 -7.497 1.00 0.00 O ATOM 0 H SER A 149 -4.012 -0.005 -8.800 1.00 0.00 H new ATOM 0 HA SER A 149 -5.200 0.930 -7.066 1.00 0.00 H new ATOM 0 HB2 SER A 149 -6.266 2.271 -9.394 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.602 1.895 -8.325 1.00 0.00 H new ATOM 0 HG SER A 149 -6.441 3.936 -7.857 1.00 0.00 H new ATOM 870 N LEU A 150 -6.443 -1.427 -7.038 1.00 0.00 N ATOM 871 CA LEU A 150 -7.415 -2.498 -6.678 1.00 0.00 C ATOM 872 C LEU A 150 -7.603 -2.520 -5.160 1.00 0.00 C ATOM 873 O LEU A 150 -7.586 -3.564 -4.538 1.00 0.00 O ATOM 874 CB LEU A 150 -6.881 -3.853 -7.146 1.00 0.00 C ATOM 875 CG LEU A 150 -5.444 -4.034 -6.656 1.00 0.00 C ATOM 876 CD1 LEU A 150 -5.165 -5.519 -6.425 1.00 0.00 C ATOM 877 CD2 LEU A 150 -4.479 -3.492 -7.713 1.00 0.00 C ATOM 0 H LEU A 150 -5.469 -1.631 -6.814 1.00 0.00 H new ATOM 0 HA LEU A 150 -8.371 -2.300 -7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -7.511 -4.656 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.915 -3.913 -8.234 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.306 -3.491 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -4.140 -5.647 -6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.855 -5.906 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -5.301 -6.064 -7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -3.453 -3.619 -7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -4.618 -4.037 -8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.678 -2.433 -7.878 1.00 0.00 H new ATOM 889 N CYS A 151 -7.781 -1.375 -4.558 1.00 0.00 N ATOM 890 CA CYS A 151 -7.968 -1.332 -3.080 1.00 0.00 C ATOM 891 C CYS A 151 -9.441 -1.568 -2.743 1.00 0.00 C ATOM 892 O CYS A 151 -10.119 -0.697 -2.237 1.00 0.00 O ATOM 893 CB CYS A 151 -7.538 0.035 -2.548 1.00 0.00 C ATOM 894 SG CYS A 151 -7.147 -0.101 -0.787 1.00 0.00 S ATOM 0 H CYS A 151 -7.805 -0.469 -5.026 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.360 -2.109 -2.617 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.668 0.394 -3.098 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.335 0.763 -2.700 1.00 0.00 H new ATOM 899 N GLY A 152 -9.941 -2.741 -3.021 1.00 0.00 N ATOM 900 CA GLY A 152 -11.370 -3.031 -2.716 1.00 0.00 C ATOM 901 C GLY A 152 -11.827 -4.249 -3.521 1.00 0.00 C ATOM 902 O GLY A 152 -12.524 -5.109 -3.022 1.00 0.00 O ATOM 0 H GLY A 152 -9.422 -3.510 -3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -11.494 -3.219 -1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -11.988 -2.167 -2.961 1.00 0.00 H new ATOM 906 N VAL A 153 -11.438 -4.327 -4.763 1.00 0.00 N ATOM 907 CA VAL A 153 -11.849 -5.489 -5.599 1.00 0.00 C ATOM 908 C VAL A 153 -10.902 -5.619 -6.793 1.00 0.00 C ATOM 909 O VAL A 153 -10.267 -4.667 -7.201 1.00 0.00 O ATOM 910 CB VAL A 153 -13.279 -5.273 -6.100 1.00 0.00 C ATOM 911 CG1 VAL A 153 -13.287 -4.176 -7.167 1.00 0.00 C ATOM 912 CG2 VAL A 153 -13.807 -6.576 -6.705 1.00 0.00 C ATOM 0 H VAL A 153 -10.854 -3.637 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 153 -11.806 -6.401 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 153 -13.915 -4.973 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -14.306 -4.023 -7.523 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -12.909 -3.248 -6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -12.652 -4.475 -8.001 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -14.826 -6.425 -7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -13.171 -6.875 -7.538 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -13.801 -7.358 -5.946 1.00 0.00 H new ATOM 922 N ASP A 154 -10.799 -6.793 -7.355 1.00 0.00 N ATOM 923 CA ASP A 154 -9.889 -6.982 -8.519 1.00 0.00 C ATOM 924 C ASP A 154 -10.656 -7.637 -9.670 1.00 0.00 C ATOM 925 O ASP A 154 -11.871 -7.681 -9.674 1.00 0.00 O ATOM 926 CB ASP A 154 -8.720 -7.880 -8.111 1.00 0.00 C ATOM 927 CG ASP A 154 -7.431 -7.368 -8.760 1.00 0.00 C ATOM 928 OD1 ASP A 154 -7.255 -6.163 -8.809 1.00 0.00 O ATOM 929 OD2 ASP A 154 -6.645 -8.192 -9.196 1.00 0.00 O ATOM 0 H ASP A 154 -11.305 -7.628 -7.058 1.00 0.00 H new ATOM 0 HA ASP A 154 -9.509 -6.013 -8.842 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -8.615 -7.888 -7.026 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -8.912 -8.908 -8.420 1.00 0.00 H new ATOM 934 N HIS A 155 -9.956 -8.146 -10.647 1.00 0.00 N ATOM 935 CA HIS A 155 -10.644 -8.797 -11.798 1.00 0.00 C ATOM 936 C HIS A 155 -10.850 -10.282 -11.496 1.00 0.00 C ATOM 937 O HIS A 155 -11.956 -10.729 -11.278 1.00 0.00 O ATOM 938 CB HIS A 155 -9.784 -8.647 -13.054 1.00 0.00 C ATOM 939 CG HIS A 155 -10.154 -7.376 -13.767 1.00 0.00 C ATOM 940 ND1 HIS A 155 -10.170 -6.147 -13.126 1.00 0.00 N ATOM 941 CD2 HIS A 155 -10.525 -7.126 -15.065 1.00 0.00 C ATOM 942 CE1 HIS A 155 -10.539 -5.222 -14.032 1.00 0.00 C ATOM 943 NE2 HIS A 155 -10.767 -5.766 -15.230 1.00 0.00 N ATOM 0 H HIS A 155 -8.937 -8.139 -10.698 1.00 0.00 H new ATOM 0 HA HIS A 155 -11.612 -8.322 -11.960 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -8.728 -8.631 -12.785 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -9.932 -9.502 -13.713 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.615 -7.872 -15.841 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -10.638 -4.168 -13.816 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -11.056 -5.287 -16.083 1.00 0.00 H new ATOM 951 N THR A 156 -9.786 -11.045 -11.482 1.00 0.00 N ATOM 952 CA THR A 156 -9.887 -12.512 -11.196 1.00 0.00 C ATOM 953 C THR A 156 -10.282 -13.264 -12.471 1.00 0.00 C ATOM 954 O THR A 156 -9.746 -14.312 -12.773 1.00 0.00 O ATOM 955 CB THR A 156 -10.925 -12.789 -10.098 1.00 0.00 C ATOM 956 OG1 THR A 156 -12.213 -12.926 -10.681 1.00 0.00 O ATOM 957 CG2 THR A 156 -10.934 -11.644 -9.081 1.00 0.00 C ATOM 0 H THR A 156 -8.839 -10.711 -11.659 1.00 0.00 H new ATOM 0 HA THR A 156 -8.913 -12.858 -10.849 1.00 0.00 H new ATOM 0 HB THR A 156 -10.661 -13.714 -9.585 1.00 0.00 H new ATOM 0 HG1 THR A 156 -12.547 -12.044 -10.947 1.00 0.00 H new ATOM 0 HG21 THR A 156 -11.673 -11.851 -8.307 1.00 0.00 H new ATOM 0 HG22 THR A 156 -9.948 -11.554 -8.626 1.00 0.00 H new ATOM 0 HG23 THR A 156 -11.187 -10.711 -9.585 1.00 0.00 H new ATOM 965 N GLU A 157 -11.215 -12.744 -13.224 1.00 0.00 N ATOM 966 CA GLU A 157 -11.634 -13.440 -14.472 1.00 0.00 C ATOM 967 C GLU A 157 -11.926 -12.405 -15.561 1.00 0.00 C ATOM 968 O GLU A 157 -12.057 -11.228 -15.293 1.00 0.00 O ATOM 969 CB GLU A 157 -12.896 -14.261 -14.201 1.00 0.00 C ATOM 970 CG GLU A 157 -12.530 -15.510 -13.397 1.00 0.00 C ATOM 971 CD GLU A 157 -13.697 -16.499 -13.429 1.00 0.00 C ATOM 972 OE1 GLU A 157 -14.418 -16.502 -14.413 1.00 0.00 O ATOM 973 OE2 GLU A 157 -13.850 -17.235 -12.468 1.00 0.00 O ATOM 0 H GLU A 157 -11.703 -11.870 -13.028 1.00 0.00 H new ATOM 0 HA GLU A 157 -10.833 -14.102 -14.803 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -13.622 -13.661 -13.651 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -13.366 -14.546 -15.142 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -11.635 -15.974 -13.813 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -12.299 -15.238 -12.367 1.00 0.00 H new ATOM 980 N ARG A 158 -12.033 -12.835 -16.788 1.00 0.00 N ATOM 981 CA ARG A 158 -12.319 -11.877 -17.892 1.00 0.00 C ATOM 982 C ARG A 158 -13.753 -12.081 -18.385 1.00 0.00 C ATOM 983 O ARG A 158 -14.096 -11.721 -19.493 1.00 0.00 O ATOM 984 CB ARG A 158 -11.342 -12.118 -19.045 1.00 0.00 C ATOM 985 CG ARG A 158 -9.937 -12.348 -18.485 1.00 0.00 C ATOM 986 CD ARG A 158 -8.900 -12.016 -19.559 1.00 0.00 C ATOM 987 NE ARG A 158 -8.501 -13.264 -20.267 1.00 0.00 N ATOM 988 CZ ARG A 158 -7.687 -13.204 -21.286 1.00 0.00 C ATOM 989 NH1 ARG A 158 -6.607 -12.475 -21.217 1.00 0.00 N ATOM 990 NH2 ARG A 158 -7.953 -13.875 -22.373 1.00 0.00 N ATOM 0 H ARG A 158 -11.935 -13.809 -17.074 1.00 0.00 H new ATOM 0 HA ARG A 158 -12.202 -10.857 -17.527 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -11.658 -12.983 -19.629 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.340 -11.262 -19.719 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -9.778 -11.724 -17.605 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -9.826 -13.384 -18.165 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -9.313 -11.299 -20.269 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -8.027 -11.548 -19.104 1.00 0.00 H new ATOM 0 HE ARG A 158 -8.864 -14.165 -19.956 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -6.398 -11.952 -20.367 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -5.971 -12.428 -22.013 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -8.797 -14.446 -22.426 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -7.317 -13.828 -23.169 1.00 0.00 H new ATOM 1004 N ARG A 159 -14.592 -12.658 -17.569 1.00 0.00 N ATOM 1005 CA ARG A 159 -16.003 -12.886 -17.991 1.00 0.00 C ATOM 1006 C ARG A 159 -16.911 -12.874 -16.759 1.00 0.00 C ATOM 1007 O ARG A 159 -18.082 -12.570 -16.913 1.00 0.00 O ATOM 1008 CB ARG A 159 -16.114 -14.241 -18.691 1.00 0.00 C ATOM 1009 CG ARG A 159 -15.502 -15.327 -17.804 1.00 0.00 C ATOM 1010 CD ARG A 159 -15.513 -16.663 -18.550 1.00 0.00 C ATOM 1011 NE ARG A 159 -14.113 -17.074 -18.850 1.00 0.00 N ATOM 1012 CZ ARG A 159 -13.607 -16.847 -20.031 1.00 0.00 C ATOM 1013 NH1 ARG A 159 -14.082 -17.469 -21.075 1.00 0.00 N ATOM 1014 NH2 ARG A 159 -12.624 -15.999 -20.168 1.00 0.00 N ATOM 1015 OXT ARG A 159 -16.419 -13.169 -15.681 1.00 0.00 O ATOM 0 H ARG A 159 -14.362 -12.981 -16.629 1.00 0.00 H new ATOM 0 HA ARG A 159 -16.309 -12.096 -18.677 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -17.159 -14.471 -18.897 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -15.600 -14.209 -19.652 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -14.481 -15.058 -17.534 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -16.066 -15.413 -16.875 1.00 0.00 H new ATOM 0 HD2 ARG A 159 -16.006 -17.425 -17.946 1.00 0.00 H new ATOM 0 HD3 ARG A 159 -16.083 -16.571 -19.475 1.00 0.00 H new ATOM 0 HE ARG A 159 -13.551 -17.532 -18.133 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -14.849 -18.133 -20.968 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -13.686 -17.291 -21.998 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -12.251 -15.514 -19.352 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -12.228 -15.822 -21.091 1.00 0.00 H new TER 1029 ARG A 159 HETATM 1030 ZN ZN A 1 -5.059 -1.050 -0.674 1.00 0.00 ZN HETATM 1031 ZN ZN A 2 7.623 -1.791 -5.772 1.00 0.00 ZN