USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 ASN : amide:sc= -0.111 X(o=0.062,f=-0.35) USER MOD Set 1.2: A 56 TYR OH : rot 30:sc= 0.173 USER MOD Set 2.1: A 6 HIS :FLIP no HE2:sc= -0.105 F(o=-1.2,f=0.019) USER MOD Set 2.2: A 7 HIS : no HD1:sc= 0.124 X(o=0.019,f=-0.23) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.146 (180deg=-0.152) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 4 HIS : no HD1:sc= -0.027 X(o=-0.027,f=-0.25) USER MOD Single : A 5 HIS : no HE2:sc= 0.221 K(o=0.22,f=-1.1) USER MOD Single : A 8 HIS : no HD1:sc= -0.312 K(o=-0.31,f=-0.98) USER MOD Single : A 9 SER OG : rot 28:sc= 0.394 USER MOD Single : A 10 HIS : no HE2:sc= 0.141 K(o=0.14,f=-0.55) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0.45 X(o=0.45,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.477 X(o=-0.48,f=0) USER MOD Single : A 29 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 33 SER OG : rot -84:sc= 0.256 USER MOD Single : A 36 LYS NZ :NH3+ 170:sc=-0.00401 (180deg=-0.144) USER MOD Single : A 39 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.7) USER MOD Single : A 42 LYS NZ :NH3+ 170:sc= 0.878 (180deg=0.751) USER MOD Single : A 44 CYS SG : rot -26:sc= -0.0973 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.389 K(o=-0.39,f=-4.2!) USER MOD Single : A 58 MET CE :methyl -129:sc= -1.49 (180deg=-4.79!) USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= -0.037 (180deg=-0.232) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -136:sc= 0.781 (180deg=-0.922) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 73 CYS SG : rot -36:sc= -2.74! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.547 -18.705 -13.665 1.00 0.00 N ATOM 2 CA MET A 1 -19.331 -17.484 -12.853 1.00 0.00 C ATOM 3 C MET A 1 -20.645 -16.693 -12.664 1.00 0.00 C ATOM 4 O MET A 1 -20.883 -16.146 -11.584 1.00 0.00 O ATOM 5 CB MET A 1 -18.201 -16.617 -13.481 1.00 0.00 C ATOM 6 CG MET A 1 -18.418 -16.174 -14.934 1.00 0.00 C ATOM 7 SD MET A 1 -19.662 -14.875 -15.113 1.00 0.00 S ATOM 8 CE MET A 1 -19.717 -14.660 -16.891 1.00 0.00 C ATOM 0 H1 MET A 1 -18.640 -19.196 -13.802 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.211 -19.336 -13.173 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.941 -18.441 -14.591 1.00 0.00 H new ATOM 0 HA MET A 1 -19.006 -17.779 -11.855 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.071 -15.726 -12.867 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.269 -17.179 -13.429 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.472 -15.819 -15.342 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.718 -17.037 -15.528 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.444 -13.888 -17.142 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.733 -14.363 -17.252 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.008 -15.599 -17.362 1.00 0.00 H new ATOM 20 N GLY A 2 -21.512 -16.671 -13.701 1.00 0.00 N ATOM 21 CA GLY A 2 -22.760 -15.899 -13.680 1.00 0.00 C ATOM 22 C GLY A 2 -23.990 -16.792 -13.654 1.00 0.00 C ATOM 23 O GLY A 2 -24.829 -16.685 -12.746 1.00 0.00 O ATOM 0 H GLY A 2 -21.361 -17.187 -14.568 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -22.768 -15.248 -12.806 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -22.800 -15.254 -14.558 1.00 0.00 H new ATOM 27 N HIS A 3 -24.082 -17.688 -14.653 1.00 0.00 N ATOM 28 CA HIS A 3 -25.214 -18.617 -14.828 1.00 0.00 C ATOM 29 C HIS A 3 -25.252 -19.648 -13.684 1.00 0.00 C ATOM 30 O HIS A 3 -24.414 -20.562 -13.654 1.00 0.00 O ATOM 31 CB HIS A 3 -25.118 -19.332 -16.199 1.00 0.00 C ATOM 32 CG HIS A 3 -26.224 -20.330 -16.451 1.00 0.00 C ATOM 33 ND1 HIS A 3 -26.135 -21.659 -16.103 1.00 0.00 N ATOM 34 CD2 HIS A 3 -27.449 -20.181 -17.009 1.00 0.00 C ATOM 35 CE1 HIS A 3 -27.245 -22.279 -16.434 1.00 0.00 C ATOM 36 NE2 HIS A 3 -28.060 -21.408 -16.983 1.00 0.00 N ATOM 0 H HIS A 3 -23.364 -17.789 -15.370 1.00 0.00 H new ATOM 0 HA HIS A 3 -26.139 -18.041 -14.801 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -25.132 -18.582 -16.990 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -24.158 -19.845 -16.263 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -27.867 -19.266 -17.401 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -27.452 -23.328 -16.281 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -28.996 -21.611 -17.333 1.00 0.00 H new ATOM 45 N HIS A 4 -26.233 -19.482 -12.767 1.00 0.00 N ATOM 46 CA HIS A 4 -26.365 -20.298 -11.540 1.00 0.00 C ATOM 47 C HIS A 4 -25.126 -20.074 -10.639 1.00 0.00 C ATOM 48 O HIS A 4 -24.438 -21.020 -10.218 1.00 0.00 O ATOM 49 CB HIS A 4 -26.607 -21.800 -11.890 1.00 0.00 C ATOM 50 CG HIS A 4 -26.923 -22.695 -10.715 1.00 0.00 C ATOM 51 ND1 HIS A 4 -25.996 -23.530 -10.135 1.00 0.00 N ATOM 52 CD2 HIS A 4 -28.080 -22.912 -10.040 1.00 0.00 C ATOM 53 CE1 HIS A 4 -26.559 -24.216 -9.171 1.00 0.00 C ATOM 54 NE2 HIS A 4 -27.820 -23.863 -9.089 1.00 0.00 N ATOM 0 H HIS A 4 -26.960 -18.773 -12.859 1.00 0.00 H new ATOM 0 HA HIS A 4 -27.242 -19.980 -10.977 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -27.429 -21.862 -12.604 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -25.720 -22.186 -12.391 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -29.028 -22.426 -10.219 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -26.068 -24.949 -8.548 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -28.498 -24.237 -8.424 1.00 0.00 H new ATOM 63 N HIS A 5 -24.842 -18.782 -10.375 1.00 0.00 N ATOM 64 CA HIS A 5 -23.696 -18.351 -9.549 1.00 0.00 C ATOM 65 C HIS A 5 -23.828 -18.860 -8.096 1.00 0.00 C ATOM 66 O HIS A 5 -24.843 -18.625 -7.432 1.00 0.00 O ATOM 67 CB HIS A 5 -23.530 -16.802 -9.596 1.00 0.00 C ATOM 68 CG HIS A 5 -24.740 -16.012 -9.159 1.00 0.00 C ATOM 69 ND1 HIS A 5 -25.713 -15.587 -10.036 1.00 0.00 N ATOM 70 CD2 HIS A 5 -25.129 -15.565 -7.934 1.00 0.00 C ATOM 71 CE1 HIS A 5 -26.643 -14.923 -9.375 1.00 0.00 C ATOM 72 NE2 HIS A 5 -26.312 -14.897 -8.102 1.00 0.00 N ATOM 0 H HIS A 5 -25.402 -18.007 -10.730 1.00 0.00 H new ATOM 0 HA HIS A 5 -22.794 -18.796 -9.968 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -22.687 -16.524 -8.964 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -23.274 -16.511 -10.615 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -25.715 -15.759 -11.041 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -24.602 -15.710 -7.002 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -27.527 -14.476 -9.807 1.00 0.00 H new ATOM 81 N HIS A 6 -22.817 -19.616 -7.637 1.00 0.00 N ATOM 82 CA HIS A 6 -22.723 -20.081 -6.239 1.00 0.00 C ATOM 83 C HIS A 6 -21.839 -19.120 -5.423 1.00 0.00 C ATOM 84 O HIS A 6 -22.157 -18.789 -4.280 1.00 0.00 O ATOM 85 CB HIS A 6 -22.205 -21.546 -6.178 1.00 0.00 C ATOM 86 CG HIS A 6 -20.932 -21.816 -6.934 1.00 0.00 C ATOM 87 ND1 HIS A 6 -19.634 -21.744 -6.563 1.00 0.00 N flip ATOM 88 CD2 HIS A 6 -20.918 -22.246 -8.241 1.00 0.00 C flip ATOM 89 CE1 HIS A 6 -18.880 -22.127 -7.638 1.00 0.00 C flip ATOM 90 NE2 HIS A 6 -19.677 -22.426 -8.633 1.00 0.00 N flip ATOM 0 H HIS A 6 -22.041 -19.923 -8.223 1.00 0.00 H new ATOM 0 HA HIS A 6 -23.718 -20.077 -5.793 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -22.050 -21.815 -5.133 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -22.983 -22.204 -6.565 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -19.282 -21.457 -5.650 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -21.794 -22.410 -8.851 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -17.801 -22.175 -7.662 1.00 0.00 H new ATOM 99 N HIS A 7 -20.730 -18.677 -6.041 1.00 0.00 N ATOM 100 CA HIS A 7 -19.778 -17.718 -5.443 1.00 0.00 C ATOM 101 C HIS A 7 -19.278 -16.758 -6.539 1.00 0.00 C ATOM 102 O HIS A 7 -19.272 -17.122 -7.725 1.00 0.00 O ATOM 103 CB HIS A 7 -18.565 -18.452 -4.789 1.00 0.00 C ATOM 104 CG HIS A 7 -18.905 -19.334 -3.606 1.00 0.00 C ATOM 105 ND1 HIS A 7 -18.577 -20.676 -3.538 1.00 0.00 N ATOM 106 CD2 HIS A 7 -19.529 -19.050 -2.434 1.00 0.00 C ATOM 107 CE1 HIS A 7 -18.988 -21.171 -2.387 1.00 0.00 C ATOM 108 NE2 HIS A 7 -19.567 -20.211 -1.699 1.00 0.00 N ATOM 0 H HIS A 7 -20.465 -18.976 -6.979 1.00 0.00 H new ATOM 0 HA HIS A 7 -20.292 -17.161 -4.660 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -18.078 -19.063 -5.549 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.839 -17.705 -4.468 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.923 -18.090 -2.135 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -18.869 -22.194 -2.063 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -19.978 -20.312 -0.771 1.00 0.00 H new ATOM 117 N HIS A 8 -18.874 -15.532 -6.140 1.00 0.00 N ATOM 118 CA HIS A 8 -18.285 -14.544 -7.071 1.00 0.00 C ATOM 119 C HIS A 8 -16.825 -14.939 -7.390 1.00 0.00 C ATOM 120 O HIS A 8 -15.880 -14.571 -6.690 1.00 0.00 O ATOM 121 CB HIS A 8 -18.414 -13.080 -6.523 1.00 0.00 C ATOM 122 CG HIS A 8 -17.761 -12.795 -5.189 1.00 0.00 C ATOM 123 ND1 HIS A 8 -16.453 -12.367 -5.062 1.00 0.00 N ATOM 124 CD2 HIS A 8 -18.246 -12.833 -3.924 1.00 0.00 C ATOM 125 CE1 HIS A 8 -16.174 -12.160 -3.797 1.00 0.00 C ATOM 126 NE2 HIS A 8 -17.242 -12.434 -3.083 1.00 0.00 N ATOM 0 H HIS A 8 -18.945 -15.202 -5.177 1.00 0.00 H new ATOM 0 HA HIS A 8 -18.847 -14.556 -8.005 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -17.989 -12.401 -7.262 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -19.474 -12.839 -6.442 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -19.244 -13.125 -3.632 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -15.225 -11.821 -3.408 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -17.312 -12.361 -2.068 1.00 0.00 H new ATOM 135 N SER A 9 -16.677 -15.782 -8.422 1.00 0.00 N ATOM 136 CA SER A 9 -15.390 -16.325 -8.862 1.00 0.00 C ATOM 137 C SER A 9 -15.434 -16.659 -10.360 1.00 0.00 C ATOM 138 O SER A 9 -16.439 -17.177 -10.859 1.00 0.00 O ATOM 139 CB SER A 9 -15.059 -17.587 -8.040 1.00 0.00 C ATOM 140 OG SER A 9 -13.839 -18.181 -8.459 1.00 0.00 O ATOM 0 H SER A 9 -17.464 -16.109 -8.982 1.00 0.00 H new ATOM 0 HA SER A 9 -14.612 -15.578 -8.702 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.993 -17.326 -6.984 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.869 -18.310 -8.140 1.00 0.00 H new ATOM 0 HG SER A 9 -13.249 -17.491 -8.829 1.00 0.00 H new ATOM 146 N HIS A 10 -14.332 -16.343 -11.063 1.00 0.00 N ATOM 147 CA HIS A 10 -14.134 -16.693 -12.476 1.00 0.00 C ATOM 148 C HIS A 10 -13.568 -18.119 -12.573 1.00 0.00 C ATOM 149 O HIS A 10 -14.315 -19.054 -12.867 1.00 0.00 O ATOM 150 CB HIS A 10 -13.200 -15.662 -13.167 1.00 0.00 C ATOM 151 CG HIS A 10 -13.786 -14.273 -13.260 1.00 0.00 C ATOM 152 ND1 HIS A 10 -13.301 -13.188 -12.560 1.00 0.00 N ATOM 153 CD2 HIS A 10 -14.818 -13.799 -14.002 1.00 0.00 C ATOM 154 CE1 HIS A 10 -14.004 -12.114 -12.870 1.00 0.00 C ATOM 155 NE2 HIS A 10 -14.924 -12.457 -13.741 1.00 0.00 N ATOM 0 H HIS A 10 -13.547 -15.832 -10.659 1.00 0.00 H new ATOM 0 HA HIS A 10 -15.091 -16.664 -12.996 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -12.260 -15.613 -12.618 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -12.965 -16.015 -14.171 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -12.520 -13.212 -11.904 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -15.440 -14.372 -14.673 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -13.848 -11.121 -12.474 1.00 0.00 H new ATOM 164 N MET A 11 -12.254 -18.288 -12.302 1.00 0.00 N ATOM 165 CA MET A 11 -11.570 -19.605 -12.273 1.00 0.00 C ATOM 166 C MET A 11 -10.454 -19.549 -11.219 1.00 0.00 C ATOM 167 O MET A 11 -10.565 -20.123 -10.139 1.00 0.00 O ATOM 168 CB MET A 11 -10.958 -20.001 -13.665 1.00 0.00 C ATOM 169 CG MET A 11 -11.951 -20.238 -14.808 1.00 0.00 C ATOM 170 SD MET A 11 -11.113 -20.721 -16.338 1.00 0.00 S ATOM 171 CE MET A 11 -12.477 -20.810 -17.500 1.00 0.00 C ATOM 0 H MET A 11 -11.631 -17.508 -12.095 1.00 0.00 H new ATOM 0 HA MET A 11 -12.311 -20.365 -12.025 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.268 -19.214 -13.970 1.00 0.00 H new ATOM 0 HB3 MET A 11 -10.368 -20.908 -13.532 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.658 -21.016 -14.520 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.529 -19.330 -14.981 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.101 -21.098 -18.482 1.00 0.00 H new ATOM 0 HE2 MET A 11 -13.199 -21.551 -17.157 1.00 0.00 H new ATOM 0 HE3 MET A 11 -12.961 -19.836 -17.568 1.00 0.00 H new ATOM 181 N ALA A 12 -9.370 -18.834 -11.562 1.00 0.00 N ATOM 182 CA ALA A 12 -8.219 -18.611 -10.678 1.00 0.00 C ATOM 183 C ALA A 12 -8.338 -17.245 -10.017 1.00 0.00 C ATOM 184 O ALA A 12 -8.037 -17.102 -8.834 1.00 0.00 O ATOM 185 CB ALA A 12 -6.903 -18.716 -11.462 1.00 0.00 C ATOM 0 H ALA A 12 -9.269 -18.389 -12.474 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.213 -19.381 -9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.063 -18.547 -10.788 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.820 -19.709 -11.903 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.890 -17.966 -12.253 1.00 0.00 H new ATOM 191 N ASP A 13 -8.768 -16.231 -10.821 1.00 0.00 N ATOM 192 CA ASP A 13 -8.981 -14.826 -10.373 1.00 0.00 C ATOM 193 C ASP A 13 -7.633 -14.124 -10.044 1.00 0.00 C ATOM 194 O ASP A 13 -6.600 -14.802 -9.976 1.00 0.00 O ATOM 195 CB ASP A 13 -10.001 -14.796 -9.186 1.00 0.00 C ATOM 196 CG ASP A 13 -11.405 -15.209 -9.644 1.00 0.00 C ATOM 197 OD1 ASP A 13 -11.704 -16.420 -9.667 1.00 0.00 O ATOM 198 OD2 ASP A 13 -12.197 -14.324 -10.041 1.00 0.00 O ATOM 0 H ASP A 13 -8.978 -16.370 -11.809 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.418 -14.250 -11.189 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.662 -15.467 -8.396 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.036 -13.793 -8.760 1.00 0.00 H new ATOM 203 N PRO A 14 -7.571 -12.748 -9.827 1.00 0.00 N ATOM 204 CA PRO A 14 -6.280 -12.014 -9.604 1.00 0.00 C ATOM 205 C PRO A 14 -5.593 -12.326 -8.250 1.00 0.00 C ATOM 206 O PRO A 14 -4.616 -11.660 -7.892 1.00 0.00 O ATOM 207 CB PRO A 14 -6.692 -10.503 -9.693 1.00 0.00 C ATOM 208 CG PRO A 14 -8.070 -10.506 -10.286 1.00 0.00 C ATOM 209 CD PRO A 14 -8.708 -11.783 -9.803 1.00 0.00 C ATOM 0 HA PRO A 14 -5.533 -12.314 -10.339 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.688 -10.035 -8.709 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.996 -9.941 -10.316 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.639 -9.635 -9.962 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.030 -10.474 -11.375 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.125 -11.674 -8.802 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.522 -12.100 -10.455 1.00 0.00 H new ATOM 217 N GLY A 15 -6.064 -13.370 -7.536 1.00 0.00 N ATOM 218 CA GLY A 15 -5.618 -13.665 -6.169 1.00 0.00 C ATOM 219 C GLY A 15 -5.949 -12.582 -5.150 1.00 0.00 C ATOM 220 O GLY A 15 -6.211 -11.425 -5.515 1.00 0.00 O ATOM 0 H GLY A 15 -6.760 -14.025 -7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.073 -14.602 -5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.539 -13.821 -6.178 1.00 0.00 H new ATOM 224 N ARG A 16 -5.977 -12.960 -3.856 1.00 0.00 N ATOM 225 CA ARG A 16 -6.130 -11.992 -2.764 1.00 0.00 C ATOM 226 C ARG A 16 -4.960 -11.016 -2.747 1.00 0.00 C ATOM 227 O ARG A 16 -5.163 -9.841 -2.514 1.00 0.00 O ATOM 228 CB ARG A 16 -6.280 -12.699 -1.390 1.00 0.00 C ATOM 229 CG ARG A 16 -7.575 -13.526 -1.250 1.00 0.00 C ATOM 230 CD ARG A 16 -7.764 -14.126 0.152 1.00 0.00 C ATOM 231 NE ARG A 16 -9.015 -14.890 0.238 1.00 0.00 N ATOM 232 CZ ARG A 16 -9.417 -15.642 1.272 1.00 0.00 C ATOM 233 NH1 ARG A 16 -8.669 -15.776 2.362 1.00 0.00 N ATOM 234 NH2 ARG A 16 -10.573 -16.277 1.198 1.00 0.00 N ATOM 0 H ARG A 16 -5.895 -13.929 -3.547 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.047 -11.431 -2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.423 -13.355 -1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.254 -11.947 -0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.430 -12.892 -1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.565 -14.332 -1.984 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.921 -14.775 0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.770 -13.328 0.894 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.639 -14.844 -0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.768 -15.301 2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.995 -16.354 3.137 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.149 -16.192 0.360 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.890 -16.852 1.978 1.00 0.00 H new ATOM 248 N GLU A 17 -3.755 -11.516 -3.057 1.00 0.00 N ATOM 249 CA GLU A 17 -2.527 -10.708 -3.039 1.00 0.00 C ATOM 250 C GLU A 17 -2.479 -9.689 -4.193 1.00 0.00 C ATOM 251 O GLU A 17 -2.117 -8.540 -3.969 1.00 0.00 O ATOM 252 CB GLU A 17 -1.290 -11.628 -3.066 1.00 0.00 C ATOM 253 CG GLU A 17 0.047 -10.886 -2.932 1.00 0.00 C ATOM 254 CD GLU A 17 1.219 -11.832 -2.666 1.00 0.00 C ATOM 255 OE1 GLU A 17 1.424 -12.216 -1.494 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.914 -12.227 -3.628 1.00 0.00 O ATOM 0 H GLU A 17 -3.604 -12.488 -3.326 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.525 -10.132 -2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.373 -12.354 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.289 -12.190 -4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.239 -10.323 -3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.023 -10.162 -2.120 1.00 0.00 H new ATOM 263 N GLY A 18 -2.813 -10.128 -5.423 1.00 0.00 N ATOM 264 CA GLY A 18 -2.897 -9.231 -6.584 1.00 0.00 C ATOM 265 C GLY A 18 -3.969 -8.157 -6.453 1.00 0.00 C ATOM 266 O GLY A 18 -3.761 -7.020 -6.875 1.00 0.00 O ATOM 0 H GLY A 18 -3.029 -11.102 -5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.930 -8.750 -6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.097 -9.824 -7.476 1.00 0.00 H new ATOM 270 N HIS A 19 -5.103 -8.525 -5.842 1.00 0.00 N ATOM 271 CA HIS A 19 -6.212 -7.584 -5.585 1.00 0.00 C ATOM 272 C HIS A 19 -5.823 -6.591 -4.475 1.00 0.00 C ATOM 273 O HIS A 19 -6.147 -5.404 -4.547 1.00 0.00 O ATOM 274 CB HIS A 19 -7.493 -8.361 -5.205 1.00 0.00 C ATOM 275 CG HIS A 19 -8.685 -7.490 -4.885 1.00 0.00 C ATOM 276 ND1 HIS A 19 -9.093 -7.214 -3.599 1.00 0.00 N ATOM 277 CD2 HIS A 19 -9.553 -6.837 -5.693 1.00 0.00 C ATOM 278 CE1 HIS A 19 -10.148 -6.433 -3.628 1.00 0.00 C ATOM 279 NE2 HIS A 19 -10.452 -6.189 -4.886 1.00 0.00 N ATOM 0 H HIS A 19 -5.281 -9.474 -5.513 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.412 -7.017 -6.494 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.756 -9.026 -6.027 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.278 -8.991 -4.342 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.540 -6.828 -6.773 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -10.677 -6.055 -2.766 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -11.229 -5.612 -5.207 1.00 0.00 H new ATOM 288 N LEU A 20 -5.123 -7.124 -3.462 1.00 0.00 N ATOM 289 CA LEU A 20 -4.597 -6.365 -2.313 1.00 0.00 C ATOM 290 C LEU A 20 -3.563 -5.332 -2.806 1.00 0.00 C ATOM 291 O LEU A 20 -3.638 -4.158 -2.445 1.00 0.00 O ATOM 292 CB LEU A 20 -3.979 -7.376 -1.288 1.00 0.00 C ATOM 293 CG LEU A 20 -3.779 -6.920 0.192 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.588 -5.967 0.355 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.084 -6.314 0.768 1.00 0.00 C ATOM 0 H LEU A 20 -4.901 -8.118 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.393 -5.813 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.612 -8.263 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.007 -7.683 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.539 -7.811 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.492 -5.680 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.675 -6.467 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.749 -5.076 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.917 -6.005 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.377 -5.449 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.877 -7.061 0.737 1.00 0.00 H new ATOM 307 N GLU A 21 -2.652 -5.800 -3.678 1.00 0.00 N ATOM 308 CA GLU A 21 -1.560 -4.998 -4.260 1.00 0.00 C ATOM 309 C GLU A 21 -2.133 -3.862 -5.120 1.00 0.00 C ATOM 310 O GLU A 21 -1.727 -2.701 -4.988 1.00 0.00 O ATOM 311 CB GLU A 21 -0.646 -5.920 -5.121 1.00 0.00 C ATOM 312 CG GLU A 21 0.403 -5.189 -5.977 1.00 0.00 C ATOM 313 CD GLU A 21 1.319 -6.149 -6.744 1.00 0.00 C ATOM 314 OE1 GLU A 21 0.880 -6.708 -7.772 1.00 0.00 O ATOM 315 OE2 GLU A 21 2.475 -6.359 -6.325 1.00 0.00 O ATOM 0 H GLU A 21 -2.654 -6.766 -4.005 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.971 -4.555 -3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.130 -6.615 -4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.277 -6.517 -5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.105 -4.535 -6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.010 -4.552 -5.334 1.00 0.00 H new ATOM 322 N GLN A 22 -3.105 -4.225 -5.982 1.00 0.00 N ATOM 323 CA GLN A 22 -3.779 -3.283 -6.886 1.00 0.00 C ATOM 324 C GLN A 22 -4.547 -2.224 -6.082 1.00 0.00 C ATOM 325 O GLN A 22 -4.540 -1.040 -6.443 1.00 0.00 O ATOM 326 CB GLN A 22 -4.737 -4.038 -7.850 1.00 0.00 C ATOM 327 CG GLN A 22 -5.558 -3.144 -8.813 1.00 0.00 C ATOM 328 CD GLN A 22 -4.710 -2.279 -9.747 1.00 0.00 C ATOM 329 OE1 GLN A 22 -4.337 -2.710 -10.826 1.00 0.00 O ATOM 330 NE2 GLN A 22 -4.422 -1.049 -9.345 1.00 0.00 N ATOM 0 H GLN A 22 -3.442 -5.184 -6.067 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.020 -2.779 -7.485 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.149 -4.737 -8.444 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.430 -4.631 -7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.207 -3.780 -9.415 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.205 -2.495 -8.224 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.749 -0.720 -8.437 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.873 -0.432 -9.944 1.00 0.00 H new ATOM 339 N ARG A 23 -5.182 -2.647 -4.972 1.00 0.00 N ATOM 340 CA ARG A 23 -5.949 -1.748 -4.096 1.00 0.00 C ATOM 341 C ARG A 23 -5.012 -0.711 -3.444 1.00 0.00 C ATOM 342 O ARG A 23 -5.352 0.474 -3.390 1.00 0.00 O ATOM 343 CB ARG A 23 -6.717 -2.578 -3.005 1.00 0.00 C ATOM 344 CG ARG A 23 -8.195 -2.177 -2.790 1.00 0.00 C ATOM 345 CD ARG A 23 -8.369 -0.716 -2.351 1.00 0.00 C ATOM 346 NE ARG A 23 -9.783 -0.336 -2.226 1.00 0.00 N ATOM 347 CZ ARG A 23 -10.225 0.815 -1.706 1.00 0.00 C ATOM 348 NH1 ARG A 23 -9.375 1.729 -1.252 1.00 0.00 N ATOM 349 NH2 ARG A 23 -11.522 1.058 -1.650 1.00 0.00 N ATOM 0 H ARG A 23 -5.176 -3.618 -4.660 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.685 -1.211 -4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.680 -3.632 -3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.189 -2.478 -2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.747 -2.339 -3.716 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.636 -2.831 -2.037 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.868 -0.564 -1.395 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.882 -0.061 -3.073 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.481 -1.000 -2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.370 1.558 -1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.727 2.602 -0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.186 0.369 -2.003 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.860 1.935 -1.254 1.00 0.00 H new ATOM 363 N ILE A 24 -3.833 -1.182 -2.974 1.00 0.00 N ATOM 364 CA ILE A 24 -2.794 -0.317 -2.379 1.00 0.00 C ATOM 365 C ILE A 24 -2.355 0.756 -3.393 1.00 0.00 C ATOM 366 O ILE A 24 -2.422 1.950 -3.084 1.00 0.00 O ATOM 367 CB ILE A 24 -1.530 -1.124 -1.887 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.895 -2.127 -0.746 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.395 -0.168 -1.426 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.747 -3.020 -0.302 1.00 0.00 C ATOM 0 H ILE A 24 -3.578 -2.169 -2.998 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.241 0.151 -1.502 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.168 -1.701 -2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.255 -1.563 0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.719 -2.756 -1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.462 -0.754 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.097 0.470 -2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.753 0.451 -0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.089 -3.684 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.400 -3.614 -1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.072 -2.403 0.068 1.00 0.00 H new ATOM 382 N LEU A 25 -1.978 0.315 -4.624 1.00 0.00 N ATOM 383 CA LEU A 25 -1.489 1.209 -5.702 1.00 0.00 C ATOM 384 C LEU A 25 -2.521 2.300 -6.023 1.00 0.00 C ATOM 385 O LEU A 25 -2.161 3.455 -6.244 1.00 0.00 O ATOM 386 CB LEU A 25 -1.182 0.390 -6.996 1.00 0.00 C ATOM 387 CG LEU A 25 -0.025 -0.655 -6.906 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.088 -1.489 -8.210 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.314 0.034 -6.552 1.00 0.00 C ATOM 0 H LEU A 25 -2.006 -0.668 -4.893 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.573 1.683 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.091 -0.134 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.945 1.092 -7.795 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.263 -1.350 -6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.903 -2.206 -8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.847 -2.022 -8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.287 -0.825 -9.051 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.104 -0.714 -6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.561 0.765 -7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.221 0.537 -5.590 1.00 0.00 H new ATOM 401 N GLN A 26 -3.804 1.898 -5.995 1.00 0.00 N ATOM 402 CA GLN A 26 -4.948 2.769 -6.293 1.00 0.00 C ATOM 403 C GLN A 26 -5.077 3.888 -5.244 1.00 0.00 C ATOM 404 O GLN A 26 -5.184 5.061 -5.604 1.00 0.00 O ATOM 405 CB GLN A 26 -6.239 1.915 -6.356 1.00 0.00 C ATOM 406 CG GLN A 26 -7.537 2.700 -6.621 1.00 0.00 C ATOM 407 CD GLN A 26 -8.792 1.822 -6.718 1.00 0.00 C ATOM 408 OE1 GLN A 26 -9.728 2.146 -7.444 1.00 0.00 O ATOM 409 NE2 GLN A 26 -8.840 0.719 -5.969 1.00 0.00 N ATOM 0 H GLN A 26 -4.076 0.943 -5.761 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.790 3.247 -7.260 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.121 1.166 -7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.345 1.377 -5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.677 3.429 -5.823 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.427 3.261 -7.549 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.049 0.472 -5.374 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.667 0.123 -5.991 1.00 0.00 H new ATOM 418 N VAL A 27 -5.028 3.504 -3.949 1.00 0.00 N ATOM 419 CA VAL A 27 -5.093 4.451 -2.809 1.00 0.00 C ATOM 420 C VAL A 27 -3.962 5.494 -2.898 1.00 0.00 C ATOM 421 O VAL A 27 -4.185 6.699 -2.683 1.00 0.00 O ATOM 422 CB VAL A 27 -4.998 3.691 -1.428 1.00 0.00 C ATOM 423 CG1 VAL A 27 -4.956 4.673 -0.228 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.152 2.677 -1.272 1.00 0.00 C ATOM 0 H VAL A 27 -4.942 2.529 -3.663 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.055 4.960 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.058 3.140 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.891 4.108 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.086 5.323 -0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.862 5.279 -0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.062 2.168 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.106 3.202 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.104 1.944 -2.077 1.00 0.00 H new ATOM 434 N LEU A 28 -2.770 5.001 -3.266 1.00 0.00 N ATOM 435 CA LEU A 28 -1.564 5.822 -3.421 1.00 0.00 C ATOM 436 C LEU A 28 -1.739 6.851 -4.559 1.00 0.00 C ATOM 437 O LEU A 28 -1.298 8.002 -4.434 1.00 0.00 O ATOM 438 CB LEU A 28 -0.344 4.914 -3.706 1.00 0.00 C ATOM 439 CG LEU A 28 0.034 3.870 -2.610 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.130 2.926 -3.122 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.457 4.543 -1.287 1.00 0.00 C ATOM 0 H LEU A 28 -2.617 4.013 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.397 6.368 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.532 4.376 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.522 5.554 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.859 3.283 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.381 2.205 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.772 2.398 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.017 3.504 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.711 3.777 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.325 5.178 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.366 5.149 -0.908 1.00 0.00 H new ATOM 453 N THR A 29 -2.400 6.419 -5.658 1.00 0.00 N ATOM 454 CA THR A 29 -2.651 7.259 -6.841 1.00 0.00 C ATOM 455 C THR A 29 -3.675 8.372 -6.537 1.00 0.00 C ATOM 456 O THR A 29 -3.440 9.536 -6.880 1.00 0.00 O ATOM 457 CB THR A 29 -3.166 6.387 -8.042 1.00 0.00 C ATOM 458 OG1 THR A 29 -2.265 5.293 -8.267 1.00 0.00 O ATOM 459 CG2 THR A 29 -3.301 7.199 -9.348 1.00 0.00 C ATOM 0 H THR A 29 -2.774 5.474 -5.744 1.00 0.00 H new ATOM 0 HA THR A 29 -1.704 7.725 -7.113 1.00 0.00 H new ATOM 0 HB THR A 29 -4.157 6.023 -7.770 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.403 4.609 -7.579 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.660 6.548 -10.145 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.009 8.014 -9.198 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.329 7.609 -9.624 1.00 0.00 H new ATOM 467 N GLU A 30 -4.796 8.013 -5.868 1.00 0.00 N ATOM 468 CA GLU A 30 -5.903 8.951 -5.562 1.00 0.00 C ATOM 469 C GLU A 30 -5.428 10.075 -4.639 1.00 0.00 C ATOM 470 O GLU A 30 -5.858 11.219 -4.772 1.00 0.00 O ATOM 471 CB GLU A 30 -7.067 8.198 -4.883 1.00 0.00 C ATOM 472 CG GLU A 30 -7.669 7.057 -5.713 1.00 0.00 C ATOM 473 CD GLU A 30 -8.637 6.194 -4.892 1.00 0.00 C ATOM 474 OE1 GLU A 30 -8.163 5.422 -4.030 1.00 0.00 O ATOM 475 OE2 GLU A 30 -9.865 6.303 -5.083 1.00 0.00 O ATOM 0 H GLU A 30 -4.959 7.066 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.243 9.384 -6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.714 7.791 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.856 8.913 -4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.195 7.473 -6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.867 6.430 -6.103 1.00 0.00 H new ATOM 482 N ALA A 31 -4.560 9.710 -3.681 1.00 0.00 N ATOM 483 CA ALA A 31 -3.862 10.673 -2.822 1.00 0.00 C ATOM 484 C ALA A 31 -2.884 11.522 -3.649 1.00 0.00 C ATOM 485 O ALA A 31 -2.821 12.747 -3.485 1.00 0.00 O ATOM 486 CB ALA A 31 -3.123 9.939 -1.694 1.00 0.00 C ATOM 0 H ALA A 31 -4.324 8.738 -3.482 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.599 11.341 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.609 10.664 -1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.840 9.380 -1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.395 9.251 -2.124 1.00 0.00 H new ATOM 492 N GLY A 32 -2.132 10.844 -4.547 1.00 0.00 N ATOM 493 CA GLY A 32 -1.043 11.472 -5.315 1.00 0.00 C ATOM 494 C GLY A 32 0.108 11.930 -4.417 1.00 0.00 C ATOM 495 O GLY A 32 0.924 12.768 -4.810 1.00 0.00 O ATOM 0 H GLY A 32 -2.265 9.854 -4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.666 10.764 -6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.435 12.328 -5.865 1.00 0.00 H new ATOM 499 N SER A 33 0.156 11.338 -3.214 1.00 0.00 N ATOM 500 CA SER A 33 1.005 11.768 -2.102 1.00 0.00 C ATOM 501 C SER A 33 1.170 10.595 -1.106 1.00 0.00 C ATOM 502 O SER A 33 0.294 9.722 -1.063 1.00 0.00 O ATOM 503 CB SER A 33 0.355 12.996 -1.416 1.00 0.00 C ATOM 504 OG SER A 33 -0.974 12.712 -1.012 1.00 0.00 O ATOM 0 H SER A 33 -0.413 10.523 -2.985 1.00 0.00 H new ATOM 0 HA SER A 33 1.993 12.055 -2.463 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.947 13.288 -0.549 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.356 13.843 -2.102 1.00 0.00 H new ATOM 0 HG SER A 33 -1.582 12.849 -1.768 1.00 0.00 H new ATOM 510 N PRO A 34 2.296 10.544 -0.313 1.00 0.00 N ATOM 511 CA PRO A 34 2.576 9.445 0.654 1.00 0.00 C ATOM 512 C PRO A 34 1.388 9.097 1.576 1.00 0.00 C ATOM 513 O PRO A 34 0.859 9.959 2.277 1.00 0.00 O ATOM 514 CB PRO A 34 3.771 9.995 1.468 1.00 0.00 C ATOM 515 CG PRO A 34 4.482 10.899 0.514 1.00 0.00 C ATOM 516 CD PRO A 34 3.393 11.549 -0.306 1.00 0.00 C ATOM 0 HA PRO A 34 2.776 8.505 0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.435 10.536 2.353 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.421 9.191 1.814 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.073 11.645 1.045 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.170 10.339 -0.119 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.068 12.490 0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.735 11.773 -1.316 1.00 0.00 H new ATOM 524 N VAL A 35 0.982 7.822 1.548 1.00 0.00 N ATOM 525 CA VAL A 35 -0.143 7.288 2.324 1.00 0.00 C ATOM 526 C VAL A 35 0.412 6.397 3.440 1.00 0.00 C ATOM 527 O VAL A 35 1.228 5.509 3.176 1.00 0.00 O ATOM 528 CB VAL A 35 -1.108 6.443 1.409 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.240 5.785 2.217 1.00 0.00 C ATOM 530 CG2 VAL A 35 -1.674 7.297 0.256 1.00 0.00 C ATOM 0 H VAL A 35 1.438 7.116 0.971 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.712 8.118 2.744 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.513 5.640 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.881 5.213 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.812 5.119 2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.830 6.557 2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.336 6.686 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.233 8.138 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.854 7.671 -0.357 1.00 0.00 H new ATOM 540 N LYS A 36 -0.045 6.636 4.679 1.00 0.00 N ATOM 541 CA LYS A 36 0.349 5.835 5.845 1.00 0.00 C ATOM 542 C LYS A 36 -0.269 4.432 5.772 1.00 0.00 C ATOM 543 O LYS A 36 -1.323 4.245 5.155 1.00 0.00 O ATOM 544 CB LYS A 36 -0.080 6.553 7.152 1.00 0.00 C ATOM 545 CG LYS A 36 0.531 7.961 7.318 1.00 0.00 C ATOM 546 CD LYS A 36 0.145 8.640 8.651 1.00 0.00 C ATOM 547 CE LYS A 36 0.758 10.044 8.785 1.00 0.00 C ATOM 548 NZ LYS A 36 0.289 10.961 7.711 1.00 0.00 N ATOM 0 H LYS A 36 -0.697 7.389 4.899 1.00 0.00 H new ATOM 0 HA LYS A 36 1.434 5.727 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.167 6.634 7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.209 5.939 8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.617 7.888 7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.206 8.591 6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.940 8.711 8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.477 8.019 9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.498 10.462 9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.845 9.970 8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.586 11.933 7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.701 10.670 6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.748 10.922 7.650 1.00 0.00 H new ATOM 562 N LEU A 37 0.404 3.464 6.415 1.00 0.00 N ATOM 563 CA LEU A 37 -0.072 2.077 6.522 1.00 0.00 C ATOM 564 C LEU A 37 -1.438 2.042 7.237 1.00 0.00 C ATOM 565 O LEU A 37 -2.370 1.397 6.761 1.00 0.00 O ATOM 566 CB LEU A 37 0.975 1.218 7.282 1.00 0.00 C ATOM 567 CG LEU A 37 0.581 -0.266 7.571 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.257 -1.059 6.279 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.673 -0.972 8.414 1.00 0.00 C ATOM 0 H LEU A 37 1.299 3.624 6.878 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.199 1.660 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.900 1.219 6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.191 1.705 8.233 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.339 -0.245 8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.010 -2.083 6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.578 -0.586 5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.131 -1.066 5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.377 -2.004 8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.617 -0.959 7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.794 -0.450 9.363 1.00 0.00 H new ATOM 581 N ALA A 38 -1.518 2.756 8.382 1.00 0.00 N ATOM 582 CA ALA A 38 -2.775 3.032 9.114 1.00 0.00 C ATOM 583 C ALA A 38 -3.915 3.526 8.195 1.00 0.00 C ATOM 584 O ALA A 38 -5.059 3.096 8.344 1.00 0.00 O ATOM 585 CB ALA A 38 -2.525 4.057 10.226 1.00 0.00 C ATOM 0 H ALA A 38 -0.698 3.163 8.831 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.099 2.084 9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.457 4.252 10.757 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.785 3.664 10.923 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.155 4.985 9.789 1.00 0.00 H new ATOM 591 N GLN A 39 -3.596 4.416 7.235 1.00 0.00 N ATOM 592 CA GLN A 39 -4.579 4.946 6.277 1.00 0.00 C ATOM 593 C GLN A 39 -4.954 3.878 5.234 1.00 0.00 C ATOM 594 O GLN A 39 -6.124 3.754 4.875 1.00 0.00 O ATOM 595 CB GLN A 39 -4.008 6.204 5.588 1.00 0.00 C ATOM 596 CG GLN A 39 -4.953 6.870 4.567 1.00 0.00 C ATOM 597 CD GLN A 39 -4.350 8.113 3.910 1.00 0.00 C ATOM 598 OE1 GLN A 39 -3.573 8.845 4.525 1.00 0.00 O ATOM 599 NE2 GLN A 39 -4.663 8.333 2.649 1.00 0.00 N ATOM 0 H GLN A 39 -2.654 4.785 7.104 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.486 5.219 6.817 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.751 6.935 6.354 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.081 5.934 5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.210 6.146 3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.882 7.145 5.067 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.310 7.708 2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.259 9.128 2.154 1.00 0.00 H new ATOM 608 N LEU A 40 -3.954 3.070 4.809 1.00 0.00 N ATOM 609 CA LEU A 40 -4.153 1.970 3.839 1.00 0.00 C ATOM 610 C LEU A 40 -5.175 0.952 4.381 1.00 0.00 C ATOM 611 O LEU A 40 -5.933 0.373 3.605 1.00 0.00 O ATOM 612 CB LEU A 40 -2.802 1.253 3.511 1.00 0.00 C ATOM 613 CG LEU A 40 -1.776 2.061 2.645 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.392 1.362 2.598 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.330 2.300 1.217 1.00 0.00 C ATOM 0 H LEU A 40 -2.990 3.163 5.129 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.540 2.404 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.320 0.986 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.027 0.321 2.993 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.633 3.031 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.293 1.952 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.006 1.274 3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.501 0.368 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.601 2.863 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.519 1.341 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.260 2.865 1.277 1.00 0.00 H new ATOM 627 N VAL A 41 -5.165 0.738 5.717 1.00 0.00 N ATOM 628 CA VAL A 41 -6.127 -0.145 6.413 1.00 0.00 C ATOM 629 C VAL A 41 -7.583 0.282 6.153 1.00 0.00 C ATOM 630 O VAL A 41 -8.372 -0.513 5.638 1.00 0.00 O ATOM 631 CB VAL A 41 -5.870 -0.193 7.970 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.789 -1.226 8.666 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.389 -0.471 8.293 1.00 0.00 C ATOM 0 H VAL A 41 -4.488 1.174 6.343 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.970 -1.143 6.003 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.117 0.793 8.364 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.584 -1.232 9.737 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.832 -0.957 8.497 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.599 -2.217 8.255 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.251 -0.497 9.374 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.098 -1.431 7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.769 0.318 7.867 1.00 0.00 H new ATOM 643 N LYS A 42 -7.904 1.550 6.479 1.00 0.00 N ATOM 644 CA LYS A 42 -9.287 2.060 6.383 1.00 0.00 C ATOM 645 C LYS A 42 -9.748 2.187 4.918 1.00 0.00 C ATOM 646 O LYS A 42 -10.909 1.895 4.611 1.00 0.00 O ATOM 647 CB LYS A 42 -9.463 3.398 7.153 1.00 0.00 C ATOM 648 CG LYS A 42 -8.724 4.624 6.572 1.00 0.00 C ATOM 649 CD LYS A 42 -8.859 5.867 7.481 1.00 0.00 C ATOM 650 CE LYS A 42 -8.347 7.149 6.816 1.00 0.00 C ATOM 651 NZ LYS A 42 -9.206 7.567 5.681 1.00 0.00 N ATOM 0 H LYS A 42 -7.227 2.238 6.810 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.932 1.324 6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.527 3.630 7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.126 3.249 8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.669 4.383 6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.123 4.853 5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.906 5.999 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.306 5.697 8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.307 7.950 7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.328 6.992 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.929 8.519 5.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.092 6.897 4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.201 7.579 5.984 1.00 0.00 H new ATOM 665 N GLU A 43 -8.837 2.608 4.021 1.00 0.00 N ATOM 666 CA GLU A 43 -9.118 2.715 2.578 1.00 0.00 C ATOM 667 C GLU A 43 -9.422 1.344 1.949 1.00 0.00 C ATOM 668 O GLU A 43 -10.496 1.143 1.373 1.00 0.00 O ATOM 669 CB GLU A 43 -7.918 3.376 1.854 1.00 0.00 C ATOM 670 CG GLU A 43 -7.583 4.805 2.319 1.00 0.00 C ATOM 671 CD GLU A 43 -8.764 5.778 2.195 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.058 6.231 1.070 1.00 0.00 O ATOM 673 OE2 GLU A 43 -9.394 6.095 3.221 1.00 0.00 O ATOM 0 H GLU A 43 -7.888 2.883 4.276 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.006 3.336 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.038 2.749 1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.126 3.398 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.255 4.774 3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.746 5.184 1.732 1.00 0.00 H new ATOM 680 N CYS A 44 -8.488 0.396 2.110 1.00 0.00 N ATOM 681 CA CYS A 44 -8.576 -0.927 1.469 1.00 0.00 C ATOM 682 C CYS A 44 -9.581 -1.824 2.206 1.00 0.00 C ATOM 683 O CYS A 44 -10.043 -2.823 1.653 1.00 0.00 O ATOM 684 CB CYS A 44 -7.182 -1.591 1.432 1.00 0.00 C ATOM 685 SG CYS A 44 -7.129 -3.180 0.580 1.00 0.00 S ATOM 0 H CYS A 44 -7.654 0.522 2.684 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.929 -0.794 0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.483 -0.910 0.947 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.833 -1.731 2.455 1.00 0.00 H new ATOM 0 HG CYS A 44 -8.304 -3.735 0.623 1.00 0.00 H new ATOM 691 N GLN A 45 -9.899 -1.440 3.473 1.00 0.00 N ATOM 692 CA GLN A 45 -10.829 -2.164 4.371 1.00 0.00 C ATOM 693 C GLN A 45 -10.306 -3.584 4.681 1.00 0.00 C ATOM 694 O GLN A 45 -11.063 -4.469 5.083 1.00 0.00 O ATOM 695 CB GLN A 45 -12.269 -2.170 3.773 1.00 0.00 C ATOM 696 CG GLN A 45 -12.865 -0.766 3.532 1.00 0.00 C ATOM 697 CD GLN A 45 -14.205 -0.790 2.789 1.00 0.00 C ATOM 698 OE1 GLN A 45 -15.270 -0.846 3.404 1.00 0.00 O ATOM 699 NE2 GLN A 45 -14.148 -0.752 1.463 1.00 0.00 N ATOM 0 H GLN A 45 -9.506 -0.602 3.902 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.881 -1.639 5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.255 -2.712 2.828 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.927 -2.720 4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.000 -0.268 4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.153 -0.171 2.961 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.244 -0.706 0.993 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.008 -0.769 0.915 1.00 0.00 H new ATOM 708 N ALA A 46 -8.977 -3.750 4.550 1.00 0.00 N ATOM 709 CA ALA A 46 -8.277 -5.037 4.701 1.00 0.00 C ATOM 710 C ALA A 46 -7.293 -4.963 5.895 1.00 0.00 C ATOM 711 O ALA A 46 -6.852 -3.858 6.248 1.00 0.00 O ATOM 712 CB ALA A 46 -7.541 -5.374 3.388 1.00 0.00 C ATOM 0 H ALA A 46 -8.348 -2.977 4.332 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.996 -5.830 4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.022 -6.326 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.263 -5.445 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.818 -4.590 3.165 1.00 0.00 H new ATOM 718 N PRO A 47 -6.965 -6.124 6.562 1.00 0.00 N ATOM 719 CA PRO A 47 -6.033 -6.158 7.717 1.00 0.00 C ATOM 720 C PRO A 47 -4.666 -5.512 7.392 1.00 0.00 C ATOM 721 O PRO A 47 -4.085 -5.764 6.332 1.00 0.00 O ATOM 722 CB PRO A 47 -5.887 -7.676 8.052 1.00 0.00 C ATOM 723 CG PRO A 47 -6.461 -8.406 6.880 1.00 0.00 C ATOM 724 CD PRO A 47 -7.491 -7.482 6.267 1.00 0.00 C ATOM 0 HA PRO A 47 -6.413 -5.580 8.559 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.842 -7.944 8.207 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.420 -7.928 8.969 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.683 -8.655 6.158 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.918 -9.345 7.193 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.591 -7.649 5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.477 -7.634 6.706 1.00 0.00 H new ATOM 732 N LYS A 48 -4.232 -4.622 8.296 1.00 0.00 N ATOM 733 CA LYS A 48 -2.886 -4.014 8.313 1.00 0.00 C ATOM 734 C LYS A 48 -1.754 -5.019 8.020 1.00 0.00 C ATOM 735 O LYS A 48 -0.855 -4.715 7.246 1.00 0.00 O ATOM 736 CB LYS A 48 -2.647 -3.361 9.690 1.00 0.00 C ATOM 737 CG LYS A 48 -1.299 -2.628 9.816 1.00 0.00 C ATOM 738 CD LYS A 48 -1.084 -2.001 11.205 1.00 0.00 C ATOM 739 CE LYS A 48 -2.157 -0.964 11.558 1.00 0.00 C ATOM 740 NZ LYS A 48 -1.965 -0.425 12.925 1.00 0.00 N ATOM 0 H LYS A 48 -4.823 -4.293 9.060 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.860 -3.274 7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.452 -2.654 9.889 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.702 -4.131 10.459 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.490 -3.329 9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.244 -1.847 9.058 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.084 -2.789 11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.103 -1.528 11.238 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.126 -0.148 10.837 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.144 -1.420 11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.708 0.273 13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.019 -1.201 13.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.033 0.032 12.990 1.00 0.00 H new ATOM 754 N ARG A 49 -1.825 -6.206 8.658 1.00 0.00 N ATOM 755 CA ARG A 49 -0.837 -7.289 8.467 1.00 0.00 C ATOM 756 C ARG A 49 -0.735 -7.720 6.984 1.00 0.00 C ATOM 757 O ARG A 49 0.369 -7.966 6.480 1.00 0.00 O ATOM 758 CB ARG A 49 -1.181 -8.522 9.347 1.00 0.00 C ATOM 759 CG ARG A 49 -2.507 -9.234 8.985 1.00 0.00 C ATOM 760 CD ARG A 49 -2.617 -10.656 9.559 1.00 0.00 C ATOM 761 NE ARG A 49 -3.867 -11.318 9.140 1.00 0.00 N ATOM 762 CZ ARG A 49 -4.061 -11.948 7.970 1.00 0.00 C ATOM 763 NH1 ARG A 49 -3.093 -12.026 7.058 1.00 0.00 N ATOM 764 NH2 ARG A 49 -5.232 -12.507 7.727 1.00 0.00 N ATOM 0 H ARG A 49 -2.566 -6.440 9.318 1.00 0.00 H new ATOM 0 HA ARG A 49 0.130 -6.890 8.775 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.367 -9.242 9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.229 -8.204 10.389 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.342 -8.637 9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.601 -9.281 7.900 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.763 -11.248 9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.575 -10.613 10.647 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.650 -11.295 9.794 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.184 -11.602 7.242 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.261 -12.509 6.176 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.975 -12.457 8.424 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.393 -12.989 6.843 1.00 0.00 H new ATOM 778 N GLU A 50 -1.903 -7.784 6.305 1.00 0.00 N ATOM 779 CA GLU A 50 -2.004 -8.202 4.902 1.00 0.00 C ATOM 780 C GLU A 50 -1.317 -7.173 4.000 1.00 0.00 C ATOM 781 O GLU A 50 -0.476 -7.524 3.167 1.00 0.00 O ATOM 782 CB GLU A 50 -3.495 -8.361 4.499 1.00 0.00 C ATOM 783 CG GLU A 50 -3.731 -9.236 3.260 1.00 0.00 C ATOM 784 CD GLU A 50 -3.430 -10.722 3.524 1.00 0.00 C ATOM 785 OE1 GLU A 50 -4.296 -11.426 4.088 1.00 0.00 O ATOM 786 OE2 GLU A 50 -2.320 -11.192 3.191 1.00 0.00 O ATOM 0 H GLU A 50 -2.802 -7.545 6.724 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.506 -9.164 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.042 -8.789 5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.916 -7.372 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.766 -9.130 2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.103 -8.881 2.443 1.00 0.00 H new ATOM 793 N LEU A 51 -1.679 -5.896 4.230 1.00 0.00 N ATOM 794 CA LEU A 51 -1.144 -4.738 3.497 1.00 0.00 C ATOM 795 C LEU A 51 0.375 -4.663 3.642 1.00 0.00 C ATOM 796 O LEU A 51 1.087 -4.733 2.650 1.00 0.00 O ATOM 797 CB LEU A 51 -1.812 -3.447 4.035 1.00 0.00 C ATOM 798 CG LEU A 51 -3.367 -3.411 3.916 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.957 -2.370 4.863 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.820 -3.155 2.462 1.00 0.00 C ATOM 0 H LEU A 51 -2.362 -5.639 4.942 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.369 -4.845 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.540 -3.325 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.402 -2.592 3.497 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.744 -4.392 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.042 -2.362 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.688 -2.618 5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.562 -1.385 4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.909 -3.137 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.427 -2.197 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.444 -3.950 1.818 1.00 0.00 H new ATOM 812 N ASN A 52 0.817 -4.598 4.910 1.00 0.00 N ATOM 813 CA ASN A 52 2.228 -4.494 5.325 1.00 0.00 C ATOM 814 C ASN A 52 3.115 -5.553 4.654 1.00 0.00 C ATOM 815 O ASN A 52 4.110 -5.200 4.017 1.00 0.00 O ATOM 816 CB ASN A 52 2.310 -4.597 6.873 1.00 0.00 C ATOM 817 CG ASN A 52 3.733 -4.708 7.419 1.00 0.00 C ATOM 818 OD1 ASN A 52 4.225 -5.807 7.654 1.00 0.00 O ATOM 819 ND2 ASN A 52 4.407 -3.582 7.609 1.00 0.00 N ATOM 0 H ASN A 52 0.178 -4.617 5.704 1.00 0.00 H new ATOM 0 HA ASN A 52 2.610 -3.527 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.833 -3.720 7.310 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.739 -5.466 7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.364 -3.614 7.960 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.968 -2.684 7.404 1.00 0.00 H new ATOM 826 N GLN A 53 2.726 -6.837 4.780 1.00 0.00 N ATOM 827 CA GLN A 53 3.476 -7.971 4.202 1.00 0.00 C ATOM 828 C GLN A 53 3.635 -7.830 2.668 1.00 0.00 C ATOM 829 O GLN A 53 4.759 -7.897 2.147 1.00 0.00 O ATOM 830 CB GLN A 53 2.772 -9.312 4.566 1.00 0.00 C ATOM 831 CG GLN A 53 3.521 -10.604 4.150 1.00 0.00 C ATOM 832 CD GLN A 53 4.846 -10.870 4.899 1.00 0.00 C ATOM 833 OE1 GLN A 53 5.564 -9.958 5.294 1.00 0.00 O ATOM 834 NE2 GLN A 53 5.170 -12.137 5.122 1.00 0.00 N ATOM 0 H GLN A 53 1.885 -7.117 5.284 1.00 0.00 H new ATOM 0 HA GLN A 53 4.479 -7.968 4.630 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.616 -9.337 5.644 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.786 -9.321 4.101 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.858 -11.455 4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.731 -10.555 3.081 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.563 -12.885 4.787 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.026 -12.363 5.628 1.00 0.00 H new ATOM 843 N VAL A 54 2.510 -7.554 1.977 1.00 0.00 N ATOM 844 CA VAL A 54 2.476 -7.396 0.505 1.00 0.00 C ATOM 845 C VAL A 54 3.321 -6.177 0.067 1.00 0.00 C ATOM 846 O VAL A 54 4.019 -6.239 -0.949 1.00 0.00 O ATOM 847 CB VAL A 54 0.990 -7.259 -0.007 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.902 -6.890 -1.506 1.00 0.00 C ATOM 849 CG2 VAL A 54 0.189 -8.551 0.282 1.00 0.00 C ATOM 0 H VAL A 54 1.600 -7.434 2.421 1.00 0.00 H new ATOM 0 HA VAL A 54 2.909 -8.290 0.056 1.00 0.00 H new ATOM 0 HB VAL A 54 0.546 -6.432 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.144 -6.810 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.401 -5.936 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.388 -7.664 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.833 -8.434 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.660 -9.392 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.175 -8.738 1.356 1.00 0.00 H new ATOM 859 N LEU A 55 3.272 -5.099 0.877 1.00 0.00 N ATOM 860 CA LEU A 55 4.035 -3.849 0.655 1.00 0.00 C ATOM 861 C LEU A 55 5.540 -4.094 0.491 1.00 0.00 C ATOM 862 O LEU A 55 6.173 -3.403 -0.300 1.00 0.00 O ATOM 863 CB LEU A 55 3.782 -2.834 1.814 1.00 0.00 C ATOM 864 CG LEU A 55 2.436 -2.049 1.752 1.00 0.00 C ATOM 865 CD1 LEU A 55 2.115 -1.378 3.101 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.462 -1.017 0.609 1.00 0.00 C ATOM 0 H LEU A 55 2.693 -5.070 1.716 1.00 0.00 H new ATOM 0 HA LEU A 55 3.672 -3.427 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.821 -3.375 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.600 -2.114 1.825 1.00 0.00 H new ATOM 0 HG LEU A 55 1.639 -2.764 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.171 -0.839 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.036 -2.140 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.911 -0.680 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.514 -0.480 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.275 -0.310 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.615 -1.530 -0.341 1.00 0.00 H new ATOM 878 N TYR A 56 6.113 -5.080 1.211 1.00 0.00 N ATOM 879 CA TYR A 56 7.548 -5.413 1.090 1.00 0.00 C ATOM 880 C TYR A 56 7.871 -6.066 -0.268 1.00 0.00 C ATOM 881 O TYR A 56 8.941 -5.815 -0.826 1.00 0.00 O ATOM 882 CB TYR A 56 7.968 -6.338 2.254 1.00 0.00 C ATOM 883 CG TYR A 56 7.812 -5.688 3.636 1.00 0.00 C ATOM 884 CD1 TYR A 56 8.547 -4.552 3.975 1.00 0.00 C ATOM 885 CD2 TYR A 56 6.940 -6.200 4.600 1.00 0.00 C ATOM 886 CE1 TYR A 56 8.420 -3.958 5.214 1.00 0.00 C ATOM 887 CE2 TYR A 56 6.816 -5.607 5.838 1.00 0.00 C ATOM 888 CZ TYR A 56 7.557 -4.488 6.141 1.00 0.00 C ATOM 889 OH TYR A 56 7.433 -3.891 7.382 1.00 0.00 O ATOM 0 H TYR A 56 5.606 -5.658 1.881 1.00 0.00 H new ATOM 0 HA TYR A 56 8.118 -4.485 1.143 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.369 -7.248 2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.008 -6.635 2.116 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.229 -4.129 3.253 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.352 -7.077 4.371 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.998 -3.078 5.454 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.138 -6.020 6.570 1.00 0.00 H new ATOM 0 HH TYR A 56 7.604 -2.929 7.301 1.00 0.00 H new ATOM 899 N ARG A 57 6.926 -6.866 -0.797 1.00 0.00 N ATOM 900 CA ARG A 57 7.050 -7.498 -2.130 1.00 0.00 C ATOM 901 C ARG A 57 7.020 -6.402 -3.216 1.00 0.00 C ATOM 902 O ARG A 57 7.888 -6.358 -4.105 1.00 0.00 O ATOM 903 CB ARG A 57 5.886 -8.527 -2.332 1.00 0.00 C ATOM 904 CG ARG A 57 5.553 -8.906 -3.796 1.00 0.00 C ATOM 905 CD ARG A 57 6.660 -9.695 -4.517 1.00 0.00 C ATOM 906 NE ARG A 57 6.435 -9.702 -5.972 1.00 0.00 N ATOM 907 CZ ARG A 57 6.680 -10.712 -6.818 1.00 0.00 C ATOM 908 NH1 ARG A 57 7.174 -11.866 -6.381 1.00 0.00 N ATOM 909 NH2 ARG A 57 6.462 -10.531 -8.108 1.00 0.00 N ATOM 0 H ARG A 57 6.056 -7.094 -0.316 1.00 0.00 H new ATOM 0 HA ARG A 57 7.996 -8.035 -2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.138 -9.439 -1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.986 -8.121 -1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.637 -9.497 -3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.350 -7.994 -4.357 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.631 -9.251 -4.297 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.685 -10.719 -4.144 1.00 0.00 H new ATOM 0 HE ARG A 57 6.052 -8.848 -6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.372 -11.993 -5.389 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.355 -12.625 -7.038 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.113 -9.634 -8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.643 -11.288 -8.767 1.00 0.00 H new ATOM 923 N MET A 58 6.014 -5.516 -3.103 1.00 0.00 N ATOM 924 CA MET A 58 5.794 -4.390 -4.025 1.00 0.00 C ATOM 925 C MET A 58 6.983 -3.409 -4.006 1.00 0.00 C ATOM 926 O MET A 58 7.343 -2.852 -5.035 1.00 0.00 O ATOM 927 CB MET A 58 4.483 -3.655 -3.623 1.00 0.00 C ATOM 928 CG MET A 58 3.235 -4.548 -3.566 1.00 0.00 C ATOM 929 SD MET A 58 1.829 -3.748 -2.760 1.00 0.00 S ATOM 930 CE MET A 58 1.496 -2.389 -3.869 1.00 0.00 C ATOM 0 H MET A 58 5.321 -5.564 -2.356 1.00 0.00 H new ATOM 0 HA MET A 58 5.706 -4.779 -5.039 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.627 -3.193 -2.646 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.303 -2.848 -4.333 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.952 -4.832 -4.580 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.477 -5.467 -3.033 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.441 -1.461 -3.301 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.296 -2.316 -4.606 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.548 -2.559 -4.379 1.00 0.00 H new ATOM 940 N LYS A 59 7.584 -3.221 -2.816 1.00 0.00 N ATOM 941 CA LYS A 59 8.720 -2.302 -2.602 1.00 0.00 C ATOM 942 C LYS A 59 9.972 -2.749 -3.382 1.00 0.00 C ATOM 943 O LYS A 59 10.708 -1.916 -3.928 1.00 0.00 O ATOM 944 CB LYS A 59 9.040 -2.216 -1.088 1.00 0.00 C ATOM 945 CG LYS A 59 10.043 -1.114 -0.722 1.00 0.00 C ATOM 946 CD LYS A 59 10.472 -1.138 0.756 1.00 0.00 C ATOM 947 CE LYS A 59 11.479 -0.026 1.078 1.00 0.00 C ATOM 948 NZ LYS A 59 12.696 -0.107 0.223 1.00 0.00 N ATOM 0 H LYS A 59 7.293 -3.707 -1.968 1.00 0.00 H new ATOM 0 HA LYS A 59 8.434 -1.319 -2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.113 -2.045 -0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.434 -3.176 -0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.928 -1.216 -1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.602 -0.143 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.593 -1.027 1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.914 -2.107 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.003 0.945 0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.768 -0.092 2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.436 0.512 0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.041 -1.088 0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.462 0.198 -0.743 1.00 0.00 H new ATOM 962 N LYS A 60 10.205 -4.073 -3.408 1.00 0.00 N ATOM 963 CA LYS A 60 11.301 -4.689 -4.184 1.00 0.00 C ATOM 964 C LYS A 60 11.063 -4.554 -5.700 1.00 0.00 C ATOM 965 O LYS A 60 12.006 -4.582 -6.486 1.00 0.00 O ATOM 966 CB LYS A 60 11.423 -6.177 -3.804 1.00 0.00 C ATOM 967 CG LYS A 60 11.658 -6.440 -2.306 1.00 0.00 C ATOM 968 CD LYS A 60 11.577 -7.939 -1.960 1.00 0.00 C ATOM 969 CE LYS A 60 11.583 -8.196 -0.450 1.00 0.00 C ATOM 970 NZ LYS A 60 11.498 -9.647 -0.147 1.00 0.00 N ATOM 0 H LYS A 60 9.640 -4.748 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 60 12.227 -4.166 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.513 -6.692 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.245 -6.616 -4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.637 -6.055 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.918 -5.893 -1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.669 -8.359 -2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.419 -8.460 -2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.493 -7.784 -0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.744 -7.676 0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.504 -9.787 0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.618 -10.034 -0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.312 -10.138 -0.568 1.00 0.00 H new ATOM 984 N GLU A 61 9.782 -4.439 -6.087 1.00 0.00 N ATOM 985 CA GLU A 61 9.371 -4.164 -7.479 1.00 0.00 C ATOM 986 C GLU A 61 9.278 -2.643 -7.728 1.00 0.00 C ATOM 987 O GLU A 61 8.841 -2.211 -8.795 1.00 0.00 O ATOM 988 CB GLU A 61 8.006 -4.842 -7.756 1.00 0.00 C ATOM 989 CG GLU A 61 8.010 -6.367 -7.576 1.00 0.00 C ATOM 990 CD GLU A 61 6.619 -6.989 -7.725 1.00 0.00 C ATOM 991 OE1 GLU A 61 5.782 -6.816 -6.812 1.00 0.00 O ATOM 992 OE2 GLU A 61 6.343 -7.644 -8.756 1.00 0.00 O ATOM 0 H GLU A 61 8.997 -4.534 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 61 10.119 -4.572 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.258 -4.411 -7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.698 -4.609 -8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.682 -6.812 -8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.407 -6.610 -6.591 1.00 0.00 H new ATOM 999 N LEU A 62 9.670 -1.843 -6.709 1.00 0.00 N ATOM 1000 CA LEU A 62 9.677 -0.359 -6.742 1.00 0.00 C ATOM 1001 C LEU A 62 8.259 0.241 -6.937 1.00 0.00 C ATOM 1002 O LEU A 62 8.134 1.431 -7.193 1.00 0.00 O ATOM 1003 CB LEU A 62 10.693 0.189 -7.809 1.00 0.00 C ATOM 1004 CG LEU A 62 12.225 0.048 -7.476 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.562 0.698 -6.113 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.704 -1.422 -7.543 1.00 0.00 C ATOM 0 H LEU A 62 9.998 -2.219 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 62 10.018 -0.027 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.503 -0.323 -8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.477 1.245 -7.971 1.00 0.00 H new ATOM 0 HG LEU A 62 12.774 0.590 -8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.627 0.585 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.308 1.758 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.988 0.210 -5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.767 -1.470 -7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.145 -2.020 -6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.538 -1.813 -8.547 1.00 0.00 H new ATOM 1018 N LYS A 63 7.205 -0.596 -6.766 1.00 0.00 N ATOM 1019 CA LYS A 63 5.784 -0.185 -6.873 1.00 0.00 C ATOM 1020 C LYS A 63 5.421 0.779 -5.744 1.00 0.00 C ATOM 1021 O LYS A 63 4.682 1.753 -5.943 1.00 0.00 O ATOM 1022 CB LYS A 63 4.864 -1.431 -6.818 1.00 0.00 C ATOM 1023 CG LYS A 63 5.034 -2.396 -8.002 1.00 0.00 C ATOM 1024 CD LYS A 63 4.170 -3.666 -7.864 1.00 0.00 C ATOM 1025 CE LYS A 63 4.285 -4.585 -9.091 1.00 0.00 C ATOM 1026 NZ LYS A 63 3.692 -5.922 -8.834 1.00 0.00 N ATOM 0 H LYS A 63 7.320 -1.586 -6.548 1.00 0.00 H new ATOM 0 HA LYS A 63 5.641 0.323 -7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.060 -1.972 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.826 -1.100 -6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.770 -1.881 -8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.083 -2.682 -8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.474 -4.214 -6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.128 -3.380 -7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.783 -4.122 -9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.334 -4.699 -9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.325 -6.659 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.566 -6.055 -7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.769 -5.989 -9.308 1.00 0.00 H new ATOM 1040 N VAL A 64 5.957 0.480 -4.555 1.00 0.00 N ATOM 1041 CA VAL A 64 5.811 1.326 -3.367 1.00 0.00 C ATOM 1042 C VAL A 64 7.203 1.651 -2.815 1.00 0.00 C ATOM 1043 O VAL A 64 8.196 0.978 -3.141 1.00 0.00 O ATOM 1044 CB VAL A 64 4.917 0.659 -2.253 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.508 0.350 -2.784 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.569 -0.608 -1.674 1.00 0.00 C ATOM 0 H VAL A 64 6.508 -0.362 -4.390 1.00 0.00 H new ATOM 0 HA VAL A 64 5.299 2.241 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 64 4.828 1.381 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.914 -0.109 -1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.030 1.275 -3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.580 -0.335 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.919 -1.035 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.720 -1.336 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.531 -0.352 -1.230 1.00 0.00 H new ATOM 1056 N SER A 65 7.272 2.703 -2.005 1.00 0.00 N ATOM 1057 CA SER A 65 8.501 3.159 -1.362 1.00 0.00 C ATOM 1058 C SER A 65 8.188 3.531 0.082 1.00 0.00 C ATOM 1059 O SER A 65 7.117 4.067 0.356 1.00 0.00 O ATOM 1060 CB SER A 65 9.061 4.371 -2.144 1.00 0.00 C ATOM 1061 OG SER A 65 9.402 3.994 -3.475 1.00 0.00 O ATOM 0 H SER A 65 6.459 3.274 -1.772 1.00 0.00 H new ATOM 0 HA SER A 65 9.255 2.372 -1.364 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.321 5.171 -2.165 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.941 4.764 -1.635 1.00 0.00 H new ATOM 0 HG SER A 65 9.753 4.773 -3.956 1.00 0.00 H new ATOM 1067 N LEU A 66 9.124 3.258 0.999 1.00 0.00 N ATOM 1068 CA LEU A 66 8.944 3.584 2.414 1.00 0.00 C ATOM 1069 C LEU A 66 9.645 4.924 2.640 1.00 0.00 C ATOM 1070 O LEU A 66 10.874 4.995 2.716 1.00 0.00 O ATOM 1071 CB LEU A 66 9.528 2.468 3.327 1.00 0.00 C ATOM 1072 CG LEU A 66 9.296 2.658 4.863 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.798 2.575 5.237 1.00 0.00 C ATOM 1074 CD2 LEU A 66 10.135 1.659 5.684 1.00 0.00 C ATOM 0 H LEU A 66 10.015 2.811 0.783 1.00 0.00 H new ATOM 0 HA LEU A 66 7.887 3.655 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.093 1.514 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.601 2.400 3.146 1.00 0.00 H new ATOM 0 HG LEU A 66 9.633 3.663 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.683 2.712 6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.248 3.355 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.405 1.599 4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.951 1.817 6.747 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.855 0.641 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.193 1.812 5.472 1.00 0.00 H new ATOM 1086 N THR A 67 8.849 5.987 2.688 1.00 0.00 N ATOM 1087 CA THR A 67 9.345 7.371 2.719 1.00 0.00 C ATOM 1088 C THR A 67 9.491 7.872 4.165 1.00 0.00 C ATOM 1089 O THR A 67 10.401 8.651 4.479 1.00 0.00 O ATOM 1090 CB THR A 67 8.410 8.311 1.880 1.00 0.00 C ATOM 1091 OG1 THR A 67 8.831 9.684 1.987 1.00 0.00 O ATOM 1092 CG2 THR A 67 6.933 8.183 2.287 1.00 0.00 C ATOM 0 H THR A 67 7.831 5.919 2.707 1.00 0.00 H new ATOM 0 HA THR A 67 10.335 7.390 2.264 1.00 0.00 H new ATOM 0 HB THR A 67 8.496 7.989 0.842 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.235 10.251 1.455 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.328 8.854 1.677 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.601 7.156 2.135 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.821 8.448 3.338 1.00 0.00 H new ATOM 1100 N SER A 68 8.591 7.399 5.029 1.00 0.00 N ATOM 1101 CA SER A 68 8.570 7.731 6.461 1.00 0.00 C ATOM 1102 C SER A 68 8.240 6.443 7.267 1.00 0.00 C ATOM 1103 O SER A 68 7.783 5.469 6.662 1.00 0.00 O ATOM 1104 CB SER A 68 7.527 8.853 6.701 1.00 0.00 C ATOM 1105 OG SER A 68 7.755 9.970 5.850 1.00 0.00 O ATOM 0 H SER A 68 7.843 6.764 4.752 1.00 0.00 H new ATOM 0 HA SER A 68 9.540 8.099 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.524 8.462 6.528 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.569 9.173 7.742 1.00 0.00 H new ATOM 0 HG SER A 68 7.080 10.658 6.026 1.00 0.00 H new ATOM 1111 N PRO A 69 8.505 6.389 8.621 1.00 0.00 N ATOM 1112 CA PRO A 69 8.184 5.200 9.464 1.00 0.00 C ATOM 1113 C PRO A 69 6.710 4.754 9.354 1.00 0.00 C ATOM 1114 O PRO A 69 5.804 5.492 9.758 1.00 0.00 O ATOM 1115 CB PRO A 69 8.536 5.679 10.901 1.00 0.00 C ATOM 1116 CG PRO A 69 9.589 6.725 10.691 1.00 0.00 C ATOM 1117 CD PRO A 69 9.176 7.447 9.427 1.00 0.00 C ATOM 0 HA PRO A 69 8.740 4.316 9.152 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.663 6.089 11.409 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.907 4.858 11.515 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.640 7.409 11.538 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.576 6.276 10.584 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.501 8.276 9.641 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.037 7.864 8.904 1.00 0.00 H new ATOM 1125 N ALA A 70 6.499 3.562 8.741 1.00 0.00 N ATOM 1126 CA ALA A 70 5.169 2.956 8.508 1.00 0.00 C ATOM 1127 C ALA A 70 4.310 3.821 7.559 1.00 0.00 C ATOM 1128 O ALA A 70 3.083 3.780 7.597 1.00 0.00 O ATOM 1129 CB ALA A 70 4.440 2.663 9.842 1.00 0.00 C ATOM 0 H ALA A 70 7.264 2.987 8.389 1.00 0.00 H new ATOM 0 HA ALA A 70 5.326 1.999 8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.467 2.219 9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.035 1.971 10.438 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.304 3.593 10.394 1.00 0.00 H new ATOM 1135 N THR A 71 4.979 4.598 6.697 1.00 0.00 N ATOM 1136 CA THR A 71 4.330 5.464 5.707 1.00 0.00 C ATOM 1137 C THR A 71 4.964 5.213 4.336 1.00 0.00 C ATOM 1138 O THR A 71 6.191 5.323 4.166 1.00 0.00 O ATOM 1139 CB THR A 71 4.451 6.966 6.099 1.00 0.00 C ATOM 1140 OG1 THR A 71 3.863 7.181 7.395 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.782 7.901 5.070 1.00 0.00 C ATOM 0 H THR A 71 5.998 4.643 6.668 1.00 0.00 H new ATOM 0 HA THR A 71 3.267 5.225 5.671 1.00 0.00 H new ATOM 0 HB THR A 71 5.514 7.208 6.120 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.943 8.127 7.638 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.895 8.936 5.391 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.255 7.769 4.097 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.722 7.659 4.994 1.00 0.00 H new ATOM 1149 N TRP A 72 4.112 4.898 3.366 1.00 0.00 N ATOM 1150 CA TRP A 72 4.515 4.459 2.030 1.00 0.00 C ATOM 1151 C TRP A 72 4.107 5.517 1.001 1.00 0.00 C ATOM 1152 O TRP A 72 3.412 6.470 1.334 1.00 0.00 O ATOM 1153 CB TRP A 72 3.862 3.087 1.718 1.00 0.00 C ATOM 1154 CG TRP A 72 4.234 2.021 2.729 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.662 1.816 3.959 1.00 0.00 C ATOM 1156 CD2 TRP A 72 5.269 1.037 2.603 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.288 0.777 4.595 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.271 0.275 3.781 1.00 0.00 C ATOM 1159 CE3 TRP A 72 6.194 0.732 1.605 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 6.159 -0.777 3.989 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 7.071 -0.312 1.809 1.00 0.00 C ATOM 1162 CH2 TRP A 72 7.052 -1.056 2.994 1.00 0.00 C ATOM 0 H TRP A 72 3.100 4.941 3.487 1.00 0.00 H new ATOM 0 HA TRP A 72 5.597 4.339 1.985 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.778 3.201 1.698 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.167 2.761 0.723 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.841 2.388 4.365 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.059 0.431 5.527 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.223 1.303 0.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 6.142 -1.351 4.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.787 -0.560 1.039 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.756 -1.865 3.124 1.00 0.00 H new ATOM 1173 N CYS A 73 4.566 5.341 -0.234 1.00 0.00 N ATOM 1174 CA CYS A 73 4.240 6.228 -1.355 1.00 0.00 C ATOM 1175 C CYS A 73 4.321 5.435 -2.656 1.00 0.00 C ATOM 1176 O CYS A 73 4.952 4.372 -2.700 1.00 0.00 O ATOM 1177 CB CYS A 73 5.203 7.438 -1.390 1.00 0.00 C ATOM 1178 SG CYS A 73 6.952 6.995 -1.433 1.00 0.00 S ATOM 0 H CYS A 73 5.182 4.570 -0.492 1.00 0.00 H new ATOM 0 HA CYS A 73 3.228 6.614 -1.230 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.973 8.045 -2.265 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.019 8.059 -0.513 1.00 0.00 H new ATOM 0 HG CYS A 73 7.149 5.935 -0.706 1.00 0.00 H new ATOM 1184 N LEU A 74 3.672 5.951 -3.709 1.00 0.00 N ATOM 1185 CA LEU A 74 3.652 5.298 -5.020 1.00 0.00 C ATOM 1186 C LEU A 74 4.981 5.556 -5.744 1.00 0.00 C ATOM 1187 O LEU A 74 5.209 6.650 -6.277 1.00 0.00 O ATOM 1188 CB LEU A 74 2.451 5.816 -5.856 1.00 0.00 C ATOM 1189 CG LEU A 74 2.158 5.059 -7.184 1.00 0.00 C ATOM 1190 CD1 LEU A 74 1.943 3.551 -6.948 1.00 0.00 C ATOM 1191 CD2 LEU A 74 0.951 5.684 -7.911 1.00 0.00 C ATOM 0 H LEU A 74 3.150 6.827 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 74 3.532 4.223 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.557 5.774 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.626 6.866 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 74 3.035 5.162 -7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.741 3.059 -7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.839 3.121 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.096 3.405 -6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.763 5.141 -8.837 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.071 5.626 -7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.165 6.728 -8.140 1.00 0.00 H new ATOM 1203 N GLY A 75 5.853 4.538 -5.728 1.00 0.00 N ATOM 1204 CA GLY A 75 7.160 4.602 -6.382 1.00 0.00 C ATOM 1205 C GLY A 75 7.045 4.249 -7.855 1.00 0.00 C ATOM 1206 O GLY A 75 7.674 4.877 -8.718 1.00 0.00 O ATOM 0 H GLY A 75 5.669 3.650 -5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.576 5.604 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.851 3.916 -5.892 1.00 0.00 H new ATOM 1210 N GLY A 76 6.199 3.242 -8.129 1.00 0.00 N ATOM 1211 CA GLY A 76 5.899 2.789 -9.478 1.00 0.00 C ATOM 1212 C GLY A 76 4.673 3.479 -10.034 1.00 0.00 C ATOM 1213 O GLY A 76 3.686 2.825 -10.381 1.00 0.00 O ATOM 0 H GLY A 76 5.704 2.721 -7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.753 2.984 -10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.741 1.711 -9.474 1.00 0.00 H new ATOM 1217 N THR A 77 4.732 4.819 -10.095 1.00 0.00 N ATOM 1218 CA THR A 77 3.644 5.669 -10.605 1.00 0.00 C ATOM 1219 C THR A 77 3.600 5.603 -12.145 1.00 0.00 C ATOM 1220 O THR A 77 4.260 6.386 -12.835 1.00 0.00 O ATOM 1221 CB THR A 77 3.775 7.149 -10.070 1.00 0.00 C ATOM 1222 OG1 THR A 77 2.759 7.988 -10.640 1.00 0.00 O ATOM 1223 CG2 THR A 77 5.165 7.773 -10.319 1.00 0.00 C ATOM 0 H THR A 77 5.547 5.349 -9.788 1.00 0.00 H new ATOM 0 HA THR A 77 2.694 5.290 -10.230 1.00 0.00 H new ATOM 0 HB THR A 77 3.643 7.087 -8.990 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.856 8.900 -10.295 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.183 8.790 -9.926 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.927 7.176 -9.817 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.368 7.794 -11.390 1.00 0.00 H new ATOM 1231 N ASP A 78 2.838 4.612 -12.658 1.00 0.00 N ATOM 1232 CA ASP A 78 2.779 4.272 -14.097 1.00 0.00 C ATOM 1233 C ASP A 78 4.207 4.075 -14.670 1.00 0.00 C ATOM 1234 O ASP A 78 4.746 4.967 -15.339 1.00 0.00 O ATOM 1235 CB ASP A 78 1.947 5.321 -14.898 1.00 0.00 C ATOM 1236 CG ASP A 78 1.901 5.038 -16.415 1.00 0.00 C ATOM 1237 OD1 ASP A 78 1.345 3.991 -16.816 1.00 0.00 O ATOM 1238 OD2 ASP A 78 2.442 5.843 -17.208 1.00 0.00 O ATOM 0 H ASP A 78 2.241 4.020 -12.080 1.00 0.00 H new ATOM 0 HA ASP A 78 2.256 3.322 -14.207 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.929 5.341 -14.509 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.370 6.312 -14.733 1.00 0.00 H new ATOM 1243 N PRO A 79 4.884 2.934 -14.330 1.00 0.00 N ATOM 1244 CA PRO A 79 6.286 2.695 -14.730 1.00 0.00 C ATOM 1245 C PRO A 79 6.408 2.266 -16.211 1.00 0.00 C ATOM 1246 O PRO A 79 5.497 1.636 -16.753 1.00 0.00 O ATOM 1247 CB PRO A 79 6.737 1.588 -13.747 1.00 0.00 C ATOM 1248 CG PRO A 79 5.495 0.809 -13.436 1.00 0.00 C ATOM 1249 CD PRO A 79 4.336 1.785 -13.544 1.00 0.00 C ATOM 0 HA PRO A 79 6.908 3.588 -14.675 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.500 0.951 -14.195 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.170 2.016 -12.843 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.371 -0.019 -14.134 1.00 0.00 H new ATOM 0 HG3 PRO A 79 5.547 0.378 -12.436 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.482 1.332 -14.047 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.994 2.105 -12.560 1.00 0.00 H new ATOM 1257 N GLU A 80 7.534 2.642 -16.852 1.00 0.00 N ATOM 1258 CA GLU A 80 7.805 2.334 -18.270 1.00 0.00 C ATOM 1259 C GLU A 80 8.014 0.807 -18.469 1.00 0.00 C ATOM 1260 O GLU A 80 9.118 0.301 -18.163 1.00 0.00 O ATOM 1261 CB GLU A 80 9.038 3.133 -18.788 1.00 0.00 C ATOM 1262 CG GLU A 80 8.896 4.663 -18.745 1.00 0.00 C ATOM 1263 CD GLU A 80 7.705 5.188 -19.574 1.00 0.00 C ATOM 1264 OE1 GLU A 80 7.767 5.122 -20.820 1.00 0.00 O ATOM 1265 OE2 GLU A 80 6.699 5.651 -18.984 1.00 0.00 O ATOM 1266 OXT GLU A 80 7.064 0.125 -18.904 1.00 0.00 O ATOM 0 H GLU A 80 8.281 3.168 -16.400 1.00 0.00 H new ATOM 0 HA GLU A 80 6.937 2.639 -18.855 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.909 2.849 -18.197 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.239 2.832 -19.816 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.777 4.981 -17.709 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.815 5.117 -19.115 1.00 0.00 H new TER 1273 GLU A 80