USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 827 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 53 HIS HD1 : A 53 HIS ND1 : A 109 ZNZN :(H bumps) USER MOD Set 1.1: A 9 TYR OH : rot -131:sc= 0.473 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.029 X(o=0.44,f=0.45) USER MOD Set 2.1: A 5 SER OG : rot 150:sc= 0.796 USER MOD Set 2.2: A 7 LYS NZ :NH3+ 147:sc= 0.703 (180deg=0.787) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 1.24 (180deg=1.21) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -16:sc= 1.81 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.534 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -105:sc= 1.32 USER MOD Single : A 35 MET CE :methyl -174:sc= 0 (180deg=-0.0901) USER MOD Single : A 38 MET CE :methyl 157:sc= -1.07 (180deg=-2.13!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 41 SER OG : rot 180:sc= 0.704 USER MOD Single : A 43 MET CE :methyl 132:sc= 0 (180deg=-0.974) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= 1.05 (180deg=0.912) USER MOD Single : A 50 HIS : no HD1:sc= -0.0725 K(o=-0.073,f=-0.64) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 59 LYS NZ :NH3+ -141:sc= 1.37 (180deg=1.18) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.058 F(o=-0.69,f=-0.058) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0.945 K(o=0.94,f=-0.3) USER MOD Single : A 83 GLN : amide:sc= 0.805 K(o=0.8,f=-0.48) USER MOD Single : A 84 LYS NZ :NH3+ 144:sc= 1.32 (180deg=0.08) USER MOD Single : A 86 LYS NZ :NH3+ 174:sc= 1.2 (180deg=0.998) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0.722 K(o=0.72,f=-2!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.996 -7.853 23.881 1.00 0.00 N ATOM 2 CA MET A 1 9.781 -6.617 23.628 1.00 0.00 C ATOM 3 C MET A 1 9.047 -5.680 22.664 1.00 0.00 C ATOM 4 O MET A 1 8.695 -4.568 23.059 1.00 0.00 O ATOM 5 CB MET A 1 11.217 -6.930 23.160 1.00 0.00 C ATOM 6 CG MET A 1 12.088 -5.670 23.072 1.00 0.00 C ATOM 7 SD MET A 1 13.809 -5.994 22.595 1.00 0.00 S ATOM 8 CE MET A 1 14.450 -4.297 22.609 1.00 0.00 C ATOM 0 H1 MET A 1 9.459 -8.412 24.625 1.00 0.00 H new ATOM 0 H2 MET A 1 8.035 -7.598 24.187 1.00 0.00 H new ATOM 0 H3 MET A 1 8.943 -8.415 23.008 1.00 0.00 H new ATOM 0 HA MET A 1 9.876 -6.090 24.578 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.675 -7.638 23.850 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.181 -7.413 22.184 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.645 -4.984 22.350 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.078 -5.166 24.038 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.505 -4.304 22.337 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.895 -3.692 21.892 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.336 -3.873 23.607 1.00 0.00 H new ATOM 20 N ALA A 2 8.806 -6.103 21.418 1.00 0.00 N ATOM 21 CA ALA A 2 8.032 -5.354 20.420 1.00 0.00 C ATOM 22 C ALA A 2 6.528 -5.719 20.458 1.00 0.00 C ATOM 23 O ALA A 2 6.076 -6.466 21.332 1.00 0.00 O ATOM 24 CB ALA A 2 8.683 -5.572 19.046 1.00 0.00 C ATOM 0 H ALA A 2 9.151 -6.996 21.067 1.00 0.00 H new ATOM 0 HA ALA A 2 8.057 -4.288 20.648 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.124 -5.024 18.287 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.712 -5.212 19.069 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.676 -6.635 18.805 1.00 0.00 H new ATOM 30 N GLU A 3 5.740 -5.166 19.532 1.00 0.00 N ATOM 31 CA GLU A 3 4.280 -5.344 19.443 1.00 0.00 C ATOM 32 C GLU A 3 3.830 -5.816 18.047 1.00 0.00 C ATOM 33 O GLU A 3 4.492 -5.554 17.038 1.00 0.00 O ATOM 34 CB GLU A 3 3.562 -4.034 19.821 1.00 0.00 C ATOM 35 CG GLU A 3 3.801 -3.614 21.280 1.00 0.00 C ATOM 36 CD GLU A 3 2.995 -2.348 21.628 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.505 -1.220 21.420 1.00 0.00 O ATOM 38 OE2 GLU A 3 1.847 -2.469 22.121 1.00 0.00 O ATOM 0 H GLU A 3 6.108 -4.562 18.798 1.00 0.00 H new ATOM 0 HA GLU A 3 4.006 -6.127 20.150 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.901 -3.237 19.160 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.491 -4.152 19.654 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.515 -4.427 21.948 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.863 -3.429 21.440 1.00 0.00 H new ATOM 45 N SER A 4 2.677 -6.491 17.988 1.00 0.00 N ATOM 46 CA SER A 4 2.052 -6.979 16.747 1.00 0.00 C ATOM 47 C SER A 4 0.976 -6.024 16.212 1.00 0.00 C ATOM 48 O SER A 4 0.249 -5.383 16.974 1.00 0.00 O ATOM 49 CB SER A 4 1.462 -8.379 16.953 1.00 0.00 C ATOM 50 OG SER A 4 2.505 -9.314 17.176 1.00 0.00 O ATOM 0 H SER A 4 2.136 -6.721 18.822 1.00 0.00 H new ATOM 0 HA SER A 4 2.841 -7.027 15.997 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.779 -8.374 17.802 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.881 -8.671 16.078 1.00 0.00 H new ATOM 0 HG SER A 4 2.122 -10.206 17.309 1.00 0.00 H new ATOM 56 N SER A 5 0.853 -5.963 14.883 1.00 0.00 N ATOM 57 CA SER A 5 -0.169 -5.200 14.158 1.00 0.00 C ATOM 58 C SER A 5 -1.489 -5.967 14.057 1.00 0.00 C ATOM 59 O SER A 5 -1.491 -7.157 13.738 1.00 0.00 O ATOM 60 CB SER A 5 0.334 -4.880 12.748 1.00 0.00 C ATOM 61 OG SER A 5 1.259 -3.809 12.782 1.00 0.00 O ATOM 0 H SER A 5 1.486 -6.462 14.258 1.00 0.00 H new ATOM 0 HA SER A 5 -0.353 -4.281 14.715 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.806 -5.762 12.315 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.508 -4.621 12.105 1.00 0.00 H new ATOM 0 HG SER A 5 1.905 -3.911 12.052 1.00 0.00 H new ATOM 67 N ASP A 6 -2.615 -5.272 14.245 1.00 0.00 N ATOM 68 CA ASP A 6 -3.977 -5.836 14.193 1.00 0.00 C ATOM 69 C ASP A 6 -4.702 -5.580 12.844 1.00 0.00 C ATOM 70 O ASP A 6 -5.927 -5.664 12.736 1.00 0.00 O ATOM 71 CB ASP A 6 -4.761 -5.334 15.420 1.00 0.00 C ATOM 72 CG ASP A 6 -6.067 -6.113 15.676 1.00 0.00 C ATOM 73 OD1 ASP A 6 -6.033 -7.367 15.707 1.00 0.00 O ATOM 74 OD2 ASP A 6 -7.121 -5.473 15.908 1.00 0.00 O ATOM 0 H ASP A 6 -2.609 -4.272 14.444 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.912 -6.923 14.239 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.125 -5.407 16.302 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.997 -4.279 15.283 1.00 0.00 H new ATOM 79 N LYS A 7 -3.927 -5.250 11.803 1.00 0.00 N ATOM 80 CA LYS A 7 -4.302 -4.988 10.412 1.00 0.00 C ATOM 81 C LYS A 7 -3.316 -5.730 9.521 1.00 0.00 C ATOM 82 O LYS A 7 -2.237 -6.123 9.967 1.00 0.00 O ATOM 83 CB LYS A 7 -4.434 -3.475 10.122 1.00 0.00 C ATOM 84 CG LYS A 7 -3.578 -2.533 10.981 1.00 0.00 C ATOM 85 CD LYS A 7 -2.073 -2.620 10.686 1.00 0.00 C ATOM 86 CE LYS A 7 -1.308 -1.777 11.721 1.00 0.00 C ATOM 87 NZ LYS A 7 0.118 -1.565 11.362 1.00 0.00 N ATOM 0 H LYS A 7 -2.920 -5.150 11.930 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.300 -5.369 10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.181 -3.305 9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.480 -3.194 10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.911 -1.508 10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.746 -2.763 12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.741 -3.657 10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.866 -2.258 9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.798 -0.809 11.825 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.363 -2.268 12.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.426 -0.631 11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.701 -2.303 11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.227 -1.612 10.329 1.00 0.00 H new ATOM 101 N LEU A 8 -3.722 -5.961 8.282 1.00 0.00 N ATOM 102 CA LEU A 8 -3.030 -6.796 7.306 1.00 0.00 C ATOM 103 C LEU A 8 -2.470 -5.993 6.129 1.00 0.00 C ATOM 104 O LEU A 8 -1.641 -6.525 5.393 1.00 0.00 O ATOM 105 CB LEU A 8 -3.940 -7.967 6.889 1.00 0.00 C ATOM 106 CG LEU A 8 -5.243 -7.620 6.140 1.00 0.00 C ATOM 107 CD1 LEU A 8 -5.813 -8.908 5.544 1.00 0.00 C ATOM 108 CD2 LEU A 8 -6.339 -6.998 7.014 1.00 0.00 C ATOM 0 H LEU A 8 -4.581 -5.555 7.911 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.144 -7.223 7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.357 -8.639 6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.206 -8.524 7.788 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.970 -6.876 5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.736 -8.684 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.089 -9.341 4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.020 -9.619 6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.216 -6.788 6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.609 -7.693 7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.972 -6.070 7.453 1.00 0.00 H new ATOM 120 N TYR A 9 -2.853 -4.719 5.985 1.00 0.00 N ATOM 121 CA TYR A 9 -2.443 -3.860 4.870 1.00 0.00 C ATOM 122 C TYR A 9 -1.942 -2.505 5.379 1.00 0.00 C ATOM 123 O TYR A 9 -2.301 -2.054 6.466 1.00 0.00 O ATOM 124 CB TYR A 9 -3.598 -3.670 3.868 1.00 0.00 C ATOM 125 CG TYR A 9 -4.274 -4.930 3.351 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.511 -6.024 2.907 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.678 -5.001 3.303 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.136 -7.203 2.456 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.313 -6.173 2.850 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.545 -7.286 2.438 1.00 0.00 C ATOM 131 OH TYR A 9 -6.159 -8.440 2.052 1.00 0.00 O ATOM 0 H TYR A 9 -3.466 -4.249 6.651 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.621 -4.354 4.352 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.358 -3.047 4.340 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.216 -3.114 3.012 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.433 -5.960 2.912 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.271 -4.154 3.615 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.539 -8.040 2.125 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.391 -6.222 2.817 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.856 -8.236 1.394 1.00 0.00 H new ATOM 141 N ARG A 10 -1.116 -1.848 4.566 1.00 0.00 N ATOM 142 CA ARG A 10 -0.455 -0.567 4.844 1.00 0.00 C ATOM 143 C ARG A 10 -0.402 0.274 3.565 1.00 0.00 C ATOM 144 O ARG A 10 -0.253 -0.289 2.484 1.00 0.00 O ATOM 145 CB ARG A 10 0.939 -0.877 5.429 1.00 0.00 C ATOM 146 CG ARG A 10 1.967 0.269 5.512 1.00 0.00 C ATOM 147 CD ARG A 10 1.514 1.401 6.447 1.00 0.00 C ATOM 148 NE ARG A 10 2.630 2.269 6.866 1.00 0.00 N ATOM 149 CZ ARG A 10 3.002 2.582 8.094 1.00 0.00 C ATOM 150 NH1 ARG A 10 2.418 2.144 9.176 1.00 0.00 N ATOM 151 NH2 ARG A 10 4.012 3.383 8.241 1.00 0.00 N ATOM 0 H ARG A 10 -0.875 -2.212 3.644 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.006 0.026 5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.797 -1.270 6.436 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.379 -1.677 4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.920 -0.127 5.862 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.137 0.673 4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.759 2.004 5.943 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.041 0.971 7.330 1.00 0.00 H new ATOM 0 HE ARG A 10 3.184 2.679 6.114 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.617 1.516 9.105 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.762 2.430 10.093 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.494 3.752 7.421 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.324 3.644 9.176 1.00 0.00 H new ATOM 165 N VAL A 11 -0.516 1.595 3.672 1.00 0.00 N ATOM 166 CA VAL A 11 -0.322 2.579 2.592 1.00 0.00 C ATOM 167 C VAL A 11 0.326 3.856 3.127 1.00 0.00 C ATOM 168 O VAL A 11 0.040 4.274 4.248 1.00 0.00 O ATOM 169 CB VAL A 11 -1.667 2.887 1.910 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.584 3.807 2.730 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.478 3.549 0.539 1.00 0.00 C ATOM 0 H VAL A 11 -0.759 2.039 4.558 1.00 0.00 H new ATOM 0 HA VAL A 11 0.353 2.152 1.850 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.138 1.909 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.512 3.977 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.808 3.337 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.084 4.760 2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.453 3.749 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.935 4.487 0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.912 2.883 -0.112 1.00 0.00 H new ATOM 181 N GLU A 12 1.198 4.487 2.342 1.00 0.00 N ATOM 182 CA GLU A 12 1.827 5.764 2.699 1.00 0.00 C ATOM 183 C GLU A 12 2.479 6.478 1.518 1.00 0.00 C ATOM 184 O GLU A 12 2.875 5.876 0.516 1.00 0.00 O ATOM 185 CB GLU A 12 2.887 5.554 3.806 1.00 0.00 C ATOM 186 CG GLU A 12 4.022 4.602 3.395 1.00 0.00 C ATOM 187 CD GLU A 12 5.037 4.398 4.526 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.620 4.067 5.662 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.256 4.523 4.258 1.00 0.00 O ATOM 0 H GLU A 12 1.492 4.127 1.434 1.00 0.00 H new ATOM 0 HA GLU A 12 1.018 6.401 3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.314 6.520 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.398 5.160 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.601 3.639 3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.531 5.002 2.518 1.00 0.00 H new ATOM 196 N TYR A 13 2.667 7.783 1.707 1.00 0.00 N ATOM 197 CA TYR A 13 3.678 8.550 0.997 1.00 0.00 C ATOM 198 C TYR A 13 5.070 8.181 1.526 1.00 0.00 C ATOM 199 O TYR A 13 5.335 8.264 2.727 1.00 0.00 O ATOM 200 CB TYR A 13 3.380 10.045 1.159 1.00 0.00 C ATOM 201 CG TYR A 13 1.998 10.490 0.704 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.397 9.923 -0.438 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.324 11.504 1.413 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.176 10.426 -0.923 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.088 11.993 0.948 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.477 11.468 -0.234 1.00 0.00 C ATOM 207 OH TYR A 13 -1.652 11.963 -0.699 1.00 0.00 O ATOM 0 H TYR A 13 2.116 8.338 2.362 1.00 0.00 H new ATOM 0 HA TYR A 13 3.658 8.315 -0.067 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.500 10.310 2.209 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.127 10.609 0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.877 9.098 -0.943 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.757 11.908 2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.260 10.015 -1.821 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.427 12.769 1.495 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.779 11.684 -1.630 1.00 0.00 H new ATOM 217 N ALA A 14 5.959 7.754 0.633 1.00 0.00 N ATOM 218 CA ALA A 14 7.277 7.236 0.975 1.00 0.00 C ATOM 219 C ALA A 14 8.200 8.340 1.527 1.00 0.00 C ATOM 220 O ALA A 14 8.570 9.269 0.805 1.00 0.00 O ATOM 221 CB ALA A 14 7.850 6.566 -0.277 1.00 0.00 C ATOM 0 H ALA A 14 5.777 7.759 -0.371 1.00 0.00 H new ATOM 0 HA ALA A 14 7.198 6.503 1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.839 6.166 -0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.192 5.755 -0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.927 7.300 -1.079 1.00 0.00 H new ATOM 227 N LYS A 15 8.593 8.224 2.802 1.00 0.00 N ATOM 228 CA LYS A 15 9.441 9.212 3.502 1.00 0.00 C ATOM 229 C LYS A 15 10.944 9.015 3.256 1.00 0.00 C ATOM 230 O LYS A 15 11.710 9.975 3.327 1.00 0.00 O ATOM 231 CB LYS A 15 9.127 9.186 5.012 1.00 0.00 C ATOM 232 CG LYS A 15 7.646 9.408 5.383 1.00 0.00 C ATOM 233 CD LYS A 15 7.007 10.694 4.832 1.00 0.00 C ATOM 234 CE LYS A 15 7.727 11.955 5.331 1.00 0.00 C ATOM 235 NZ LYS A 15 7.056 13.194 4.855 1.00 0.00 N ATOM 0 H LYS A 15 8.330 7.432 3.389 1.00 0.00 H new ATOM 0 HA LYS A 15 9.199 10.190 3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.445 8.225 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.726 9.952 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.069 8.555 5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.560 9.418 6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.029 10.671 3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.959 10.734 5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.755 11.951 6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.761 11.945 4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.569 14.025 5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.052 13.209 3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.077 13.215 5.206 1.00 0.00 H new ATOM 249 N SER A 16 11.365 7.784 2.951 1.00 0.00 N ATOM 250 CA SER A 16 12.758 7.405 2.669 1.00 0.00 C ATOM 251 C SER A 16 12.822 6.181 1.746 1.00 0.00 C ATOM 252 O SER A 16 11.980 5.280 1.829 1.00 0.00 O ATOM 253 CB SER A 16 13.515 7.153 3.976 1.00 0.00 C ATOM 254 OG SER A 16 14.912 7.220 3.739 1.00 0.00 O ATOM 0 H SER A 16 10.724 6.993 2.891 1.00 0.00 H new ATOM 0 HA SER A 16 13.240 8.232 2.148 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.227 7.893 4.723 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.251 6.175 4.378 1.00 0.00 H new ATOM 0 HG SER A 16 15.394 7.060 4.577 1.00 0.00 H new ATOM 260 N GLY A 17 13.812 6.145 0.852 1.00 0.00 N ATOM 261 CA GLY A 17 13.939 5.179 -0.252 1.00 0.00 C ATOM 262 C GLY A 17 14.520 3.807 0.126 1.00 0.00 C ATOM 263 O GLY A 17 15.278 3.228 -0.653 1.00 0.00 O ATOM 0 H GLY A 17 14.582 6.814 0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.954 5.027 -0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.569 5.619 -1.025 1.00 0.00 H new ATOM 267 N ARG A 18 14.241 3.314 1.343 1.00 0.00 N ATOM 268 CA ARG A 18 14.814 2.071 1.910 1.00 0.00 C ATOM 269 C ARG A 18 14.001 0.806 1.597 1.00 0.00 C ATOM 270 O ARG A 18 14.524 -0.301 1.738 1.00 0.00 O ATOM 271 CB ARG A 18 15.004 2.232 3.435 1.00 0.00 C ATOM 272 CG ARG A 18 16.299 2.940 3.876 1.00 0.00 C ATOM 273 CD ARG A 18 16.464 4.381 3.372 1.00 0.00 C ATOM 274 NE ARG A 18 17.147 4.450 2.064 1.00 0.00 N ATOM 275 CZ ARG A 18 17.398 5.541 1.363 1.00 0.00 C ATOM 276 NH1 ARG A 18 16.979 6.720 1.730 1.00 0.00 N ATOM 277 NH2 ARG A 18 18.078 5.465 0.256 1.00 0.00 N ATOM 0 H ARG A 18 13.594 3.777 1.981 1.00 0.00 H new ATOM 0 HA ARG A 18 15.778 1.926 1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 18 14.155 2.788 3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.979 1.243 3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 18 16.337 2.947 4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.150 2.353 3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.483 4.848 3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.031 4.956 4.105 1.00 0.00 H new ATOM 0 HE ARG A 18 17.456 3.565 1.661 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.436 6.824 2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.194 7.538 1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.419 4.561 -0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.270 6.309 -0.283 1.00 0.00 H new ATOM 291 N ALA A 19 12.742 0.951 1.185 1.00 0.00 N ATOM 292 CA ALA A 19 11.851 -0.164 0.864 1.00 0.00 C ATOM 293 C ALA A 19 12.126 -0.745 -0.539 1.00 0.00 C ATOM 294 O ALA A 19 12.403 -0.006 -1.488 1.00 0.00 O ATOM 295 CB ALA A 19 10.401 0.303 1.028 1.00 0.00 C ATOM 0 H ALA A 19 12.304 1.864 1.063 1.00 0.00 H new ATOM 0 HA ALA A 19 12.040 -0.984 1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.725 -0.519 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.236 0.624 2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.209 1.137 0.353 1.00 0.00 H new ATOM 301 N SER A 20 11.988 -2.065 -0.676 1.00 0.00 N ATOM 302 CA SER A 20 12.170 -2.809 -1.934 1.00 0.00 C ATOM 303 C SER A 20 10.887 -3.549 -2.302 1.00 0.00 C ATOM 304 O SER A 20 10.210 -4.085 -1.421 1.00 0.00 O ATOM 305 CB SER A 20 13.334 -3.802 -1.836 1.00 0.00 C ATOM 306 OG SER A 20 14.557 -3.126 -1.579 1.00 0.00 O ATOM 0 H SER A 20 11.739 -2.669 0.107 1.00 0.00 H new ATOM 0 HA SER A 20 12.406 -2.086 -2.714 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.138 -4.521 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.414 -4.367 -2.765 1.00 0.00 H new ATOM 0 HG SER A 20 15.285 -3.779 -1.519 1.00 0.00 H new ATOM 312 N CYS A 21 10.552 -3.584 -3.592 1.00 0.00 N ATOM 313 CA CYS A 21 9.293 -4.149 -4.072 1.00 0.00 C ATOM 314 C CYS A 21 9.348 -5.682 -4.126 1.00 0.00 C ATOM 315 O CYS A 21 10.184 -6.274 -4.816 1.00 0.00 O ATOM 316 CB CYS A 21 8.985 -3.518 -5.423 1.00 0.00 C ATOM 317 SG CYS A 21 7.327 -4.007 -6.021 1.00 0.00 S ATOM 0 H CYS A 21 11.149 -3.220 -4.335 1.00 0.00 H new ATOM 0 HA CYS A 21 8.483 -3.919 -3.380 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.039 -2.432 -5.341 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.740 -3.821 -6.149 1.00 0.00 H new ATOM 322 N LYS A 22 8.435 -6.336 -3.403 1.00 0.00 N ATOM 323 CA LYS A 22 8.360 -7.806 -3.300 1.00 0.00 C ATOM 324 C LYS A 22 7.717 -8.470 -4.528 1.00 0.00 C ATOM 325 O LYS A 22 7.780 -9.694 -4.660 1.00 0.00 O ATOM 326 CB LYS A 22 7.595 -8.188 -2.020 1.00 0.00 C ATOM 327 CG LYS A 22 8.118 -7.543 -0.729 1.00 0.00 C ATOM 328 CD LYS A 22 9.493 -8.041 -0.273 1.00 0.00 C ATOM 329 CE LYS A 22 9.465 -9.524 0.123 1.00 0.00 C ATOM 330 NZ LYS A 22 10.786 -9.981 0.631 1.00 0.00 N ATOM 0 H LYS A 22 7.714 -5.857 -2.863 1.00 0.00 H new ATOM 0 HA LYS A 22 9.383 -8.180 -3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.548 -7.913 -2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.629 -9.271 -1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.168 -6.464 -0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.398 -7.725 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.216 -7.893 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.831 -7.446 0.575 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.706 -9.682 0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.178 -10.126 -0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.730 -10.987 0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.506 -9.853 -0.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.048 -9.423 1.469 1.00 0.00 H new ATOM 344 N LYS A 23 7.097 -7.677 -5.411 1.00 0.00 N ATOM 345 CA LYS A 23 6.358 -8.139 -6.604 1.00 0.00 C ATOM 346 C LYS A 23 7.189 -8.040 -7.885 1.00 0.00 C ATOM 347 O LYS A 23 7.377 -9.060 -8.551 1.00 0.00 O ATOM 348 CB LYS A 23 5.019 -7.385 -6.697 1.00 0.00 C ATOM 349 CG LYS A 23 4.188 -7.640 -7.969 1.00 0.00 C ATOM 350 CD LYS A 23 3.856 -9.120 -8.220 1.00 0.00 C ATOM 351 CE LYS A 23 2.924 -9.240 -9.430 1.00 0.00 C ATOM 352 NZ LYS A 23 2.567 -10.653 -9.722 1.00 0.00 N ATOM 0 H LYS A 23 7.093 -6.661 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 23 6.145 -9.202 -6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.413 -7.652 -5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.221 -6.316 -6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.257 -7.077 -7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.733 -7.251 -8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.772 -9.684 -8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.381 -9.551 -7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.015 -8.668 -9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.406 -8.800 -10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.936 -10.688 -10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.431 -11.195 -9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.084 -11.066 -8.899 1.00 0.00 H new ATOM 366 N CYS A 24 7.692 -6.847 -8.219 1.00 0.00 N ATOM 367 CA CYS A 24 8.468 -6.613 -9.447 1.00 0.00 C ATOM 368 C CYS A 24 10.005 -6.631 -9.241 1.00 0.00 C ATOM 369 O CYS A 24 10.768 -6.529 -10.205 1.00 0.00 O ATOM 370 CB CYS A 24 7.910 -5.394 -10.204 1.00 0.00 C ATOM 371 SG CYS A 24 8.391 -3.783 -9.477 1.00 0.00 S ATOM 0 H CYS A 24 7.573 -6.012 -7.645 1.00 0.00 H new ATOM 0 HA CYS A 24 8.328 -7.471 -10.104 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.254 -5.432 -11.238 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.822 -5.460 -10.228 1.00 0.00 H new ATOM 376 N SER A 25 10.455 -6.843 -7.995 1.00 0.00 N ATOM 377 CA SER A 25 11.866 -6.966 -7.580 1.00 0.00 C ATOM 378 C SER A 25 12.730 -5.715 -7.835 1.00 0.00 C ATOM 379 O SER A 25 13.961 -5.799 -7.850 1.00 0.00 O ATOM 380 CB SER A 25 12.511 -8.251 -8.132 1.00 0.00 C ATOM 381 OG SER A 25 11.747 -9.406 -7.802 1.00 0.00 O ATOM 0 H SER A 25 9.814 -6.939 -7.207 1.00 0.00 H new ATOM 0 HA SER A 25 11.835 -7.048 -6.494 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.606 -8.174 -9.215 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.519 -8.354 -7.730 1.00 0.00 H new ATOM 0 HG SER A 25 12.184 -10.203 -8.169 1.00 0.00 H new ATOM 387 N GLU A 26 12.105 -4.548 -8.010 1.00 0.00 N ATOM 388 CA GLU A 26 12.773 -3.239 -8.075 1.00 0.00 C ATOM 389 C GLU A 26 12.747 -2.537 -6.697 1.00 0.00 C ATOM 390 O GLU A 26 12.510 -3.176 -5.669 1.00 0.00 O ATOM 391 CB GLU A 26 12.178 -2.389 -9.217 1.00 0.00 C ATOM 392 CG GLU A 26 12.239 -3.098 -10.579 1.00 0.00 C ATOM 393 CD GLU A 26 12.072 -2.114 -11.756 1.00 0.00 C ATOM 394 OE1 GLU A 26 11.002 -1.471 -11.888 1.00 0.00 O ATOM 395 OE2 GLU A 26 13.012 -1.995 -12.580 1.00 0.00 O ATOM 0 H GLU A 26 11.092 -4.482 -8.114 1.00 0.00 H new ATOM 0 HA GLU A 26 13.827 -3.380 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.141 -2.149 -8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.717 -1.444 -9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.193 -3.617 -10.674 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.457 -3.856 -10.628 1.00 0.00 H new ATOM 402 N SER A 27 13.016 -1.230 -6.642 1.00 0.00 N ATOM 403 CA SER A 27 13.101 -0.453 -5.398 1.00 0.00 C ATOM 404 C SER A 27 12.085 0.682 -5.366 1.00 0.00 C ATOM 405 O SER A 27 11.608 1.151 -6.405 1.00 0.00 O ATOM 406 CB SER A 27 14.526 0.042 -5.190 1.00 0.00 C ATOM 407 OG SER A 27 14.678 0.658 -3.926 1.00 0.00 O ATOM 0 H SER A 27 13.185 -0.669 -7.477 1.00 0.00 H new ATOM 0 HA SER A 27 12.846 -1.107 -4.565 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.220 -0.795 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.785 0.752 -5.976 1.00 0.00 H new ATOM 0 HG SER A 27 15.603 0.964 -3.820 1.00 0.00 H new ATOM 413 N ILE A 28 11.703 1.087 -4.157 1.00 0.00 N ATOM 414 CA ILE A 28 10.631 2.052 -3.921 1.00 0.00 C ATOM 415 C ILE A 28 11.252 3.356 -3.377 1.00 0.00 C ATOM 416 O ILE A 28 11.659 3.398 -2.210 1.00 0.00 O ATOM 417 CB ILE A 28 9.561 1.455 -2.979 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.074 0.050 -3.420 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.371 2.426 -2.916 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.227 -0.666 -2.361 1.00 0.00 C ATOM 0 H ILE A 28 12.137 0.748 -3.299 1.00 0.00 H new ATOM 0 HA ILE A 28 10.115 2.287 -4.852 1.00 0.00 H new ATOM 0 HB ILE A 28 10.017 1.326 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.490 0.148 -4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.940 -0.567 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.605 2.020 -2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.708 3.390 -2.533 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.955 2.557 -3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.922 -1.642 -2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.814 -0.796 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.342 -0.070 -2.139 1.00 0.00 H new ATOM 432 N PRO A 29 11.330 4.430 -4.187 1.00 0.00 N ATOM 433 CA PRO A 29 11.958 5.695 -3.802 1.00 0.00 C ATOM 434 C PRO A 29 11.057 6.530 -2.880 1.00 0.00 C ATOM 435 O PRO A 29 9.837 6.348 -2.850 1.00 0.00 O ATOM 436 CB PRO A 29 12.248 6.414 -5.123 1.00 0.00 C ATOM 437 CG PRO A 29 11.088 5.957 -6.003 1.00 0.00 C ATOM 438 CD PRO A 29 10.888 4.506 -5.576 1.00 0.00 C ATOM 0 HA PRO A 29 12.867 5.531 -3.224 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.264 7.497 -5.002 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.213 6.126 -5.540 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.193 6.555 -5.834 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.329 6.037 -7.063 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.842 4.213 -5.669 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.466 3.831 -6.207 1.00 0.00 H new ATOM 446 N LYS A 30 11.649 7.484 -2.148 1.00 0.00 N ATOM 447 CA LYS A 30 10.881 8.538 -1.457 1.00 0.00 C ATOM 448 C LYS A 30 10.094 9.420 -2.442 1.00 0.00 C ATOM 449 O LYS A 30 10.381 9.448 -3.639 1.00 0.00 O ATOM 450 CB LYS A 30 11.774 9.361 -0.513 1.00 0.00 C ATOM 451 CG LYS A 30 12.883 10.149 -1.226 1.00 0.00 C ATOM 452 CD LYS A 30 13.554 11.201 -0.327 1.00 0.00 C ATOM 453 CE LYS A 30 14.192 10.622 0.941 1.00 0.00 C ATOM 454 NZ LYS A 30 14.866 11.677 1.744 1.00 0.00 N ATOM 0 H LYS A 30 12.658 7.550 -2.017 1.00 0.00 H new ATOM 0 HA LYS A 30 10.138 8.041 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.149 10.058 0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.230 8.690 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.640 9.453 -1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.463 10.644 -2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.320 11.720 -0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.812 11.946 -0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.426 10.137 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.915 9.854 0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.287 11.251 2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.613 12.123 1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.170 12.397 2.026 1.00 0.00 H new ATOM 468 N ASP A 31 9.102 10.143 -1.924 1.00 0.00 N ATOM 469 CA ASP A 31 8.143 10.947 -2.702 1.00 0.00 C ATOM 470 C ASP A 31 7.360 10.122 -3.755 1.00 0.00 C ATOM 471 O ASP A 31 7.078 10.581 -4.866 1.00 0.00 O ATOM 472 CB ASP A 31 8.817 12.225 -3.238 1.00 0.00 C ATOM 473 CG ASP A 31 7.808 13.267 -3.757 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.812 13.557 -3.050 1.00 0.00 O ATOM 475 OD2 ASP A 31 8.034 13.843 -4.850 1.00 0.00 O ATOM 0 H ASP A 31 8.933 10.191 -0.919 1.00 0.00 H new ATOM 0 HA ASP A 31 7.355 11.283 -2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.417 12.672 -2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.501 11.958 -4.043 1.00 0.00 H new ATOM 480 N SER A 32 7.013 8.882 -3.393 1.00 0.00 N ATOM 481 CA SER A 32 6.134 7.961 -4.126 1.00 0.00 C ATOM 482 C SER A 32 4.943 7.554 -3.250 1.00 0.00 C ATOM 483 O SER A 32 4.954 7.782 -2.038 1.00 0.00 O ATOM 484 CB SER A 32 6.916 6.717 -4.581 1.00 0.00 C ATOM 485 OG SER A 32 7.247 5.872 -3.497 1.00 0.00 O ATOM 0 H SER A 32 7.359 8.468 -2.527 1.00 0.00 H new ATOM 0 HA SER A 32 5.757 8.472 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.322 6.161 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.829 7.029 -5.089 1.00 0.00 H new ATOM 0 HG SER A 32 8.201 5.962 -3.292 1.00 0.00 H new ATOM 491 N LEU A 33 3.922 6.929 -3.840 1.00 0.00 N ATOM 492 CA LEU A 33 2.869 6.227 -3.102 1.00 0.00 C ATOM 493 C LEU A 33 3.206 4.728 -3.064 1.00 0.00 C ATOM 494 O LEU A 33 3.456 4.116 -4.108 1.00 0.00 O ATOM 495 CB LEU A 33 1.507 6.522 -3.759 1.00 0.00 C ATOM 496 CG LEU A 33 0.302 5.896 -3.030 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.022 6.549 -1.679 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.955 6.056 -3.883 1.00 0.00 C ATOM 0 H LEU A 33 3.801 6.895 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 33 2.807 6.574 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.366 7.602 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.525 6.157 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 33 0.553 4.848 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.837 6.067 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.894 6.439 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.191 7.608 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.805 5.612 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.147 7.115 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.811 5.555 -4.840 1.00 0.00 H new ATOM 510 N ARG A 34 3.199 4.132 -1.867 1.00 0.00 N ATOM 511 CA ARG A 34 3.552 2.725 -1.635 1.00 0.00 C ATOM 512 C ARG A 34 2.584 2.054 -0.673 1.00 0.00 C ATOM 513 O ARG A 34 1.952 2.715 0.150 1.00 0.00 O ATOM 514 CB ARG A 34 5.025 2.601 -1.199 1.00 0.00 C ATOM 515 CG ARG A 34 5.390 3.197 0.174 1.00 0.00 C ATOM 516 CD ARG A 34 6.892 2.988 0.435 1.00 0.00 C ATOM 517 NE ARG A 34 7.341 3.574 1.714 1.00 0.00 N ATOM 518 CZ ARG A 34 8.571 3.919 2.046 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.587 3.824 1.234 1.00 0.00 N ATOM 520 NH2 ARG A 34 8.787 4.406 3.228 1.00 0.00 N ATOM 0 H ARG A 34 2.942 4.625 -1.012 1.00 0.00 H new ATOM 0 HA ARG A 34 3.454 2.183 -2.576 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.291 1.544 -1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.646 3.082 -1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.149 4.260 0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.803 2.720 0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.110 1.920 0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.462 3.431 -0.382 1.00 0.00 H new ATOM 0 HE ARG A 34 6.621 3.729 2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.452 3.468 0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.517 4.106 1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.013 4.517 3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.731 4.678 3.503 1.00 0.00 H new ATOM 534 N MET A 35 2.480 0.737 -0.786 1.00 0.00 N ATOM 535 CA MET A 35 1.660 -0.134 0.053 1.00 0.00 C ATOM 536 C MET A 35 2.508 -1.242 0.672 1.00 0.00 C ATOM 537 O MET A 35 3.603 -1.535 0.201 1.00 0.00 O ATOM 538 CB MET A 35 0.462 -0.693 -0.738 1.00 0.00 C ATOM 539 CG MET A 35 -0.598 0.386 -0.985 1.00 0.00 C ATOM 540 SD MET A 35 -2.125 -0.146 -1.813 1.00 0.00 S ATOM 541 CE MET A 35 -2.978 -0.977 -0.440 1.00 0.00 C ATOM 0 H MET A 35 2.990 0.218 -1.501 1.00 0.00 H new ATOM 0 HA MET A 35 1.253 0.458 0.873 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.808 -1.091 -1.692 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.017 -1.523 -0.189 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.867 0.825 -0.024 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.145 1.178 -1.582 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.886 -1.453 -0.811 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.322 -1.733 -0.008 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.239 -0.244 0.323 1.00 0.00 H new ATOM 551 N ALA A 36 2.028 -1.836 1.757 1.00 0.00 N ATOM 552 CA ALA A 36 2.691 -2.941 2.442 1.00 0.00 C ATOM 553 C ALA A 36 1.679 -3.968 2.967 1.00 0.00 C ATOM 554 O ALA A 36 0.481 -3.689 3.057 1.00 0.00 O ATOM 555 CB ALA A 36 3.615 -2.396 3.544 1.00 0.00 C ATOM 0 H ALA A 36 1.150 -1.559 2.195 1.00 0.00 H new ATOM 0 HA ALA A 36 3.314 -3.478 1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.106 -3.227 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.368 -1.746 3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.026 -1.828 4.265 1.00 0.00 H new ATOM 561 N ILE A 37 2.173 -5.149 3.342 1.00 0.00 N ATOM 562 CA ILE A 37 1.385 -6.227 3.944 1.00 0.00 C ATOM 563 C ILE A 37 1.992 -6.638 5.278 1.00 0.00 C ATOM 564 O ILE A 37 3.208 -6.766 5.384 1.00 0.00 O ATOM 565 CB ILE A 37 1.251 -7.388 2.934 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.115 -7.238 2.246 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.412 -8.782 3.549 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.266 -8.035 0.955 1.00 0.00 C ATOM 0 H ILE A 37 3.158 -5.389 3.233 1.00 0.00 H new ATOM 0 HA ILE A 37 0.374 -5.887 4.168 1.00 0.00 H new ATOM 0 HB ILE A 37 2.071 -7.317 2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.894 -7.548 2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.284 -6.183 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.304 -9.538 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.399 -8.868 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.648 -8.934 4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.260 -7.869 0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.487 -7.710 0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.133 -9.096 1.165 1.00 0.00 H new ATOM 580 N MET A 38 1.153 -6.857 6.289 1.00 0.00 N ATOM 581 CA MET A 38 1.604 -7.196 7.638 1.00 0.00 C ATOM 582 C MET A 38 1.632 -8.716 7.831 1.00 0.00 C ATOM 583 O MET A 38 0.584 -9.346 7.992 1.00 0.00 O ATOM 584 CB MET A 38 0.725 -6.488 8.687 1.00 0.00 C ATOM 585 CG MET A 38 0.522 -4.971 8.494 1.00 0.00 C ATOM 586 SD MET A 38 1.709 -3.877 9.318 1.00 0.00 S ATOM 587 CE MET A 38 3.256 -4.475 8.602 1.00 0.00 C ATOM 0 H MET A 38 0.139 -6.804 6.196 1.00 0.00 H new ATOM 0 HA MET A 38 2.625 -6.839 7.775 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.254 -6.967 8.693 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.166 -6.652 9.670 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.549 -4.758 7.425 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.477 -4.714 8.846 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.012 -3.693 8.664 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.596 -5.353 9.152 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.095 -4.741 7.557 1.00 0.00 H new ATOM 597 N VAL A 39 2.832 -9.305 7.847 1.00 0.00 N ATOM 598 CA VAL A 39 3.051 -10.749 8.083 1.00 0.00 C ATOM 599 C VAL A 39 3.833 -10.996 9.372 1.00 0.00 C ATOM 600 O VAL A 39 4.675 -10.194 9.766 1.00 0.00 O ATOM 601 CB VAL A 39 3.698 -11.429 6.859 1.00 0.00 C ATOM 602 CG1 VAL A 39 5.104 -10.909 6.559 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.749 -12.956 6.979 1.00 0.00 C ATOM 0 H VAL A 39 3.698 -8.789 7.694 1.00 0.00 H new ATOM 0 HA VAL A 39 2.075 -11.214 8.219 1.00 0.00 H new ATOM 0 HB VAL A 39 3.043 -11.164 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.505 -11.426 5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.061 -9.839 6.358 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.750 -11.091 7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.215 -13.376 6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.332 -13.233 7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.736 -13.347 7.078 1.00 0.00 H new ATOM 613 N GLN A 40 3.546 -12.103 10.054 1.00 0.00 N ATOM 614 CA GLN A 40 4.255 -12.528 11.266 1.00 0.00 C ATOM 615 C GLN A 40 5.679 -13.009 10.938 1.00 0.00 C ATOM 616 O GLN A 40 5.877 -13.830 10.040 1.00 0.00 O ATOM 617 CB GLN A 40 3.424 -13.585 12.018 1.00 0.00 C ATOM 618 CG GLN A 40 2.889 -14.726 11.125 1.00 0.00 C ATOM 619 CD GLN A 40 2.143 -15.817 11.898 1.00 0.00 C ATOM 620 OE1 GLN A 40 1.940 -15.767 13.106 1.00 0.00 O ATOM 621 NE2 GLN A 40 1.696 -16.859 11.228 1.00 0.00 N ATOM 0 H GLN A 40 2.802 -12.743 9.777 1.00 0.00 H new ATOM 0 HA GLN A 40 4.372 -11.672 11.931 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.037 -14.016 12.810 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.581 -13.091 12.501 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.221 -14.304 10.374 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.724 -15.179 10.591 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.852 -16.924 10.222 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.194 -17.601 11.715 1.00 0.00 H new ATOM 630 N SER A 41 6.677 -12.499 11.664 1.00 0.00 N ATOM 631 CA SER A 41 8.093 -12.805 11.436 1.00 0.00 C ATOM 632 C SER A 41 8.632 -13.892 12.368 1.00 0.00 C ATOM 633 O SER A 41 8.329 -13.882 13.566 1.00 0.00 O ATOM 634 CB SER A 41 8.931 -11.536 11.561 1.00 0.00 C ATOM 635 OG SER A 41 10.294 -11.817 11.286 1.00 0.00 O ATOM 0 H SER A 41 6.523 -11.853 12.438 1.00 0.00 H new ATOM 0 HA SER A 41 8.170 -13.200 10.423 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.562 -10.779 10.869 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.833 -11.125 12.566 1.00 0.00 H new ATOM 0 HG SER A 41 10.821 -10.995 11.368 1.00 0.00 H new ATOM 641 N PRO A 42 9.478 -14.806 11.854 1.00 0.00 N ATOM 642 CA PRO A 42 10.263 -15.714 12.675 1.00 0.00 C ATOM 643 C PRO A 42 11.560 -15.066 13.209 1.00 0.00 C ATOM 644 O PRO A 42 12.197 -15.626 14.105 1.00 0.00 O ATOM 645 CB PRO A 42 10.542 -16.910 11.761 1.00 0.00 C ATOM 646 CG PRO A 42 10.679 -16.259 10.385 1.00 0.00 C ATOM 647 CD PRO A 42 9.684 -15.098 10.442 1.00 0.00 C ATOM 0 HA PRO A 42 9.729 -16.005 13.579 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.451 -17.438 12.051 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.730 -17.636 11.786 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.695 -15.909 10.206 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.436 -16.957 9.584 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.074 -14.226 9.917 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.744 -15.367 9.959 1.00 0.00 H new ATOM 655 N MET A 43 11.962 -13.901 12.674 1.00 0.00 N ATOM 656 CA MET A 43 13.182 -13.167 13.058 1.00 0.00 C ATOM 657 C MET A 43 12.908 -11.987 14.008 1.00 0.00 C ATOM 658 O MET A 43 13.744 -11.669 14.857 1.00 0.00 O ATOM 659 CB MET A 43 13.906 -12.662 11.805 1.00 0.00 C ATOM 660 CG MET A 43 14.565 -13.809 11.026 1.00 0.00 C ATOM 661 SD MET A 43 14.802 -13.446 9.270 1.00 0.00 S ATOM 662 CE MET A 43 13.084 -13.696 8.753 1.00 0.00 C ATOM 0 H MET A 43 11.432 -13.429 11.941 1.00 0.00 H new ATOM 0 HA MET A 43 13.811 -13.873 13.601 1.00 0.00 H new ATOM 0 HB2 MET A 43 13.197 -12.144 11.159 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.665 -11.934 12.092 1.00 0.00 H new ATOM 0 HG2 MET A 43 15.532 -14.035 11.476 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.951 -14.704 11.124 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.765 -12.858 8.134 1.00 0.00 H new ATOM 0 HE2 MET A 43 13.007 -14.620 8.180 1.00 0.00 H new ATOM 0 HE3 MET A 43 12.445 -13.761 9.634 1.00 0.00 H new ATOM 672 N PHE A 44 11.746 -11.339 13.869 1.00 0.00 N ATOM 673 CA PHE A 44 11.309 -10.173 14.644 1.00 0.00 C ATOM 674 C PHE A 44 10.171 -10.529 15.617 1.00 0.00 C ATOM 675 O PHE A 44 9.381 -11.442 15.379 1.00 0.00 O ATOM 676 CB PHE A 44 10.932 -9.041 13.673 1.00 0.00 C ATOM 677 CG PHE A 44 10.397 -7.783 14.330 1.00 0.00 C ATOM 678 CD1 PHE A 44 11.281 -6.874 14.943 1.00 0.00 C ATOM 679 CD2 PHE A 44 9.012 -7.525 14.342 1.00 0.00 C ATOM 680 CE1 PHE A 44 10.783 -5.710 15.554 1.00 0.00 C ATOM 681 CE2 PHE A 44 8.515 -6.359 14.951 1.00 0.00 C ATOM 682 CZ PHE A 44 9.402 -5.449 15.553 1.00 0.00 C ATOM 0 H PHE A 44 11.052 -11.628 13.180 1.00 0.00 H new ATOM 0 HA PHE A 44 12.129 -9.826 15.274 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.812 -8.779 13.085 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.182 -9.415 12.976 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.343 -7.071 14.944 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.330 -8.225 13.882 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.463 -5.015 16.025 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.453 -6.163 14.956 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.022 -4.550 16.015 1.00 0.00 H new ATOM 692 N ASP A 45 10.075 -9.786 16.720 1.00 0.00 N ATOM 693 CA ASP A 45 9.168 -10.033 17.850 1.00 0.00 C ATOM 694 C ASP A 45 7.739 -9.480 17.617 1.00 0.00 C ATOM 695 O ASP A 45 7.160 -8.807 18.474 1.00 0.00 O ATOM 696 CB ASP A 45 9.861 -9.512 19.124 1.00 0.00 C ATOM 697 CG ASP A 45 9.119 -9.847 20.427 1.00 0.00 C ATOM 698 OD1 ASP A 45 8.638 -10.995 20.589 1.00 0.00 O ATOM 699 OD2 ASP A 45 9.081 -8.969 21.323 1.00 0.00 O ATOM 0 H ASP A 45 10.652 -8.957 16.860 1.00 0.00 H new ATOM 0 HA ASP A 45 8.989 -11.102 17.964 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.866 -9.930 19.174 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.969 -8.430 19.049 1.00 0.00 H new ATOM 704 N GLY A 46 7.173 -9.721 16.428 1.00 0.00 N ATOM 705 CA GLY A 46 5.873 -9.201 16.006 1.00 0.00 C ATOM 706 C GLY A 46 5.633 -9.345 14.500 1.00 0.00 C ATOM 707 O GLY A 46 6.122 -10.277 13.851 1.00 0.00 O ATOM 0 H GLY A 46 7.621 -10.299 15.717 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.085 -9.726 16.546 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.802 -8.149 16.281 1.00 0.00 H new ATOM 711 N LYS A 47 4.875 -8.397 13.939 1.00 0.00 N ATOM 712 CA LYS A 47 4.484 -8.341 12.521 1.00 0.00 C ATOM 713 C LYS A 47 5.380 -7.355 11.758 1.00 0.00 C ATOM 714 O LYS A 47 5.745 -6.308 12.295 1.00 0.00 O ATOM 715 CB LYS A 47 2.990 -7.976 12.423 1.00 0.00 C ATOM 716 CG LYS A 47 2.054 -8.995 13.122 1.00 0.00 C ATOM 717 CD LYS A 47 1.407 -10.009 12.170 1.00 0.00 C ATOM 718 CE LYS A 47 0.359 -9.402 11.224 1.00 0.00 C ATOM 719 NZ LYS A 47 -0.969 -9.213 11.870 1.00 0.00 N ATOM 0 H LYS A 47 4.501 -7.616 14.479 1.00 0.00 H new ATOM 0 HA LYS A 47 4.623 -9.316 12.054 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.836 -6.991 12.865 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.711 -7.901 11.372 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.623 -9.535 13.878 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.267 -8.450 13.644 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.188 -10.481 11.574 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.936 -10.796 12.760 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.720 -8.440 10.860 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.245 -10.049 10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.687 -9.030 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.223 -10.072 12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.925 -8.405 12.523 1.00 0.00 H new ATOM 733 N VAL A 48 5.723 -7.680 10.510 1.00 0.00 N ATOM 734 CA VAL A 48 6.647 -6.918 9.647 1.00 0.00 C ATOM 735 C VAL A 48 6.021 -6.580 8.282 1.00 0.00 C ATOM 736 O VAL A 48 5.203 -7.362 7.787 1.00 0.00 O ATOM 737 CB VAL A 48 7.993 -7.649 9.448 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.727 -7.823 10.783 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.860 -9.022 8.774 1.00 0.00 C ATOM 0 H VAL A 48 5.354 -8.512 10.049 1.00 0.00 H new ATOM 0 HA VAL A 48 6.843 -5.982 10.171 1.00 0.00 H new ATOM 0 HB VAL A 48 8.567 -7.009 8.777 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.671 -8.340 10.614 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.923 -6.844 11.221 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.109 -8.408 11.464 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.847 -9.473 8.669 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.229 -9.668 9.385 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.409 -8.902 7.789 1.00 0.00 H new ATOM 749 N PRO A 49 6.374 -5.433 7.661 1.00 0.00 N ATOM 750 CA PRO A 49 5.815 -5.012 6.379 1.00 0.00 C ATOM 751 C PRO A 49 6.515 -5.649 5.168 1.00 0.00 C ATOM 752 O PRO A 49 7.740 -5.599 5.036 1.00 0.00 O ATOM 753 CB PRO A 49 5.951 -3.485 6.356 1.00 0.00 C ATOM 754 CG PRO A 49 7.209 -3.240 7.190 1.00 0.00 C ATOM 755 CD PRO A 49 7.169 -4.352 8.236 1.00 0.00 C ATOM 0 HA PRO A 49 4.779 -5.340 6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.060 -3.105 5.340 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.078 -2.995 6.788 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.111 -3.295 6.581 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.197 -2.253 7.653 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.175 -4.696 8.476 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.724 -3.995 9.165 1.00 0.00 H new ATOM 763 N HIS A 50 5.725 -6.183 4.235 1.00 0.00 N ATOM 764 CA HIS A 50 6.147 -6.529 2.873 1.00 0.00 C ATOM 765 C HIS A 50 5.734 -5.402 1.942 1.00 0.00 C ATOM 766 O HIS A 50 4.560 -5.306 1.614 1.00 0.00 O ATOM 767 CB HIS A 50 5.537 -7.881 2.459 1.00 0.00 C ATOM 768 CG HIS A 50 6.289 -9.070 3.002 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.454 -10.297 2.353 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.924 -9.121 4.206 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.179 -11.060 3.190 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.499 -10.369 4.299 1.00 0.00 N ATOM 0 H HIS A 50 4.743 -6.394 4.410 1.00 0.00 H new ATOM 0 HA HIS A 50 7.230 -6.642 2.820 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.504 -7.926 2.804 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.513 -7.942 1.371 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.968 -8.335 4.945 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.464 -12.084 2.999 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.068 -10.710 5.074 1.00 0.00 H new ATOM 780 N TRP A 51 6.668 -4.522 1.580 1.00 0.00 N ATOM 781 CA TRP A 51 6.404 -3.325 0.778 1.00 0.00 C ATOM 782 C TRP A 51 6.272 -3.649 -0.714 1.00 0.00 C ATOM 783 O TRP A 51 6.987 -4.485 -1.263 1.00 0.00 O ATOM 784 CB TRP A 51 7.525 -2.298 0.971 1.00 0.00 C ATOM 785 CG TRP A 51 7.693 -1.782 2.364 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.641 -2.178 3.243 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.891 -0.777 3.059 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.478 -1.499 4.434 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.390 -0.656 4.390 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.775 0.017 2.712 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.787 0.175 5.343 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.163 0.859 3.663 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.662 0.930 4.976 1.00 0.00 C ATOM 0 H TRP A 51 7.649 -4.623 1.841 1.00 0.00 H new ATOM 0 HA TRP A 51 5.456 -2.913 1.123 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.465 -2.749 0.653 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.337 -1.452 0.309 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.408 -2.912 3.044 1.00 0.00 H new ATOM 0 HE1 TRP A 51 9.087 -1.608 5.245 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.386 -0.022 1.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.182 0.234 6.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.306 1.453 3.382 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.179 1.566 5.703 1.00 0.00 H new ATOM 804 N TYR A 52 5.410 -2.917 -1.404 1.00 0.00 N ATOM 805 CA TYR A 52 5.304 -2.923 -2.855 1.00 0.00 C ATOM 806 C TYR A 52 4.923 -1.513 -3.347 1.00 0.00 C ATOM 807 O TYR A 52 4.386 -0.696 -2.590 1.00 0.00 O ATOM 808 CB TYR A 52 4.321 -4.008 -3.354 1.00 0.00 C ATOM 809 CG TYR A 52 3.983 -5.224 -2.488 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.205 -5.106 -1.315 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.371 -6.505 -2.927 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.841 -6.259 -0.585 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.007 -7.656 -2.203 1.00 0.00 C ATOM 814 CZ TYR A 52 3.254 -7.535 -1.018 1.00 0.00 C ATOM 815 OH TYR A 52 2.934 -8.643 -0.294 1.00 0.00 O ATOM 0 H TYR A 52 4.746 -2.285 -0.957 1.00 0.00 H new ATOM 0 HA TYR A 52 6.273 -3.183 -3.280 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.380 -3.506 -3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.716 -4.387 -4.297 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.888 -4.131 -0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.955 -6.605 -3.830 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.243 -6.162 0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.305 -8.632 -2.556 1.00 0.00 H new ATOM 0 HH TYR A 52 3.297 -9.439 -0.736 1.00 0.00 H new ATOM 825 N HIS A 53 5.177 -1.211 -4.625 1.00 0.00 N ATOM 826 CA HIS A 53 4.617 -0.008 -5.273 1.00 0.00 C ATOM 827 C HIS A 53 3.075 -0.006 -5.162 1.00 0.00 C ATOM 828 O HIS A 53 2.464 -1.071 -5.042 1.00 0.00 O ATOM 829 CB HIS A 53 5.055 0.073 -6.750 1.00 0.00 C ATOM 830 CG HIS A 53 6.550 0.111 -7.000 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.356 -0.913 -7.521 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.344 1.203 -6.781 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.601 -0.414 -7.595 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.624 0.853 -7.155 1.00 0.00 N ATOM 0 H HIS A 53 5.765 -1.779 -5.235 1.00 0.00 H new ATOM 0 HA HIS A 53 5.003 0.871 -4.757 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.640 -0.785 -7.279 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.610 0.965 -7.192 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.028 2.159 -6.389 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.462 -0.956 -7.958 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.447 1.454 -7.106 1.00 0.00 H new ATOM 842 N PHE A 54 2.426 1.167 -5.224 1.00 0.00 N ATOM 843 CA PHE A 54 0.958 1.271 -5.105 1.00 0.00 C ATOM 844 C PHE A 54 0.213 0.328 -6.072 1.00 0.00 C ATOM 845 O PHE A 54 -0.729 -0.346 -5.662 1.00 0.00 O ATOM 846 CB PHE A 54 0.505 2.721 -5.346 1.00 0.00 C ATOM 847 CG PHE A 54 -0.990 2.881 -5.614 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.943 2.612 -4.609 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.433 3.251 -6.901 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.318 2.688 -4.896 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.808 3.339 -7.182 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.751 3.045 -6.184 1.00 0.00 C ATOM 0 H PHE A 54 2.895 2.063 -5.357 1.00 0.00 H new ATOM 0 HA PHE A 54 0.704 0.965 -4.090 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.772 3.321 -4.476 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.059 3.125 -6.194 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.615 2.347 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.712 3.468 -7.675 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.042 2.471 -4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.139 3.633 -8.167 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.807 3.093 -6.406 1.00 0.00 H new ATOM 862 N SER A 55 0.654 0.238 -7.331 1.00 0.00 N ATOM 863 CA SER A 55 0.064 -0.633 -8.353 1.00 0.00 C ATOM 864 C SER A 55 0.415 -2.106 -8.122 1.00 0.00 C ATOM 865 O SER A 55 -0.445 -2.976 -8.273 1.00 0.00 O ATOM 866 CB SER A 55 0.533 -0.180 -9.740 1.00 0.00 C ATOM 867 OG SER A 55 1.946 -0.047 -9.771 1.00 0.00 O ATOM 0 H SER A 55 1.447 0.779 -7.675 1.00 0.00 H new ATOM 0 HA SER A 55 -1.021 -0.549 -8.287 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.214 -0.902 -10.492 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.067 0.772 -9.994 1.00 0.00 H new ATOM 0 HG SER A 55 2.228 0.241 -10.664 1.00 0.00 H new ATOM 873 N CYS A 56 1.652 -2.389 -7.702 1.00 0.00 N ATOM 874 CA CYS A 56 2.156 -3.732 -7.452 1.00 0.00 C ATOM 875 C CYS A 56 1.355 -4.505 -6.387 1.00 0.00 C ATOM 876 O CYS A 56 1.127 -5.699 -6.560 1.00 0.00 O ATOM 877 CB CYS A 56 3.635 -3.647 -7.091 1.00 0.00 C ATOM 878 SG CYS A 56 4.648 -3.197 -8.550 1.00 0.00 S ATOM 0 H CYS A 56 2.347 -1.664 -7.523 1.00 0.00 H new ATOM 0 HA CYS A 56 2.030 -4.309 -8.368 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.778 -2.907 -6.303 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.971 -4.605 -6.693 1.00 0.00 H new ATOM 883 N PHE A 57 0.855 -3.838 -5.343 1.00 0.00 N ATOM 884 CA PHE A 57 -0.062 -4.435 -4.359 1.00 0.00 C ATOM 885 C PHE A 57 -1.263 -5.119 -5.040 1.00 0.00 C ATOM 886 O PHE A 57 -1.590 -6.273 -4.753 1.00 0.00 O ATOM 887 CB PHE A 57 -0.535 -3.343 -3.392 1.00 0.00 C ATOM 888 CG PHE A 57 -1.506 -3.846 -2.340 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.862 -4.035 -2.671 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.057 -4.154 -1.041 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.758 -4.553 -1.724 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.967 -4.628 -0.079 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.314 -4.839 -0.423 1.00 0.00 C ATOM 0 H PHE A 57 1.075 -2.860 -5.153 1.00 0.00 H new ATOM 0 HA PHE A 57 0.472 -5.209 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.332 -2.907 -2.896 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.010 -2.545 -3.962 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.214 -3.780 -3.660 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.016 -4.026 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.788 -4.732 -1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.630 -4.831 0.927 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.006 -5.221 0.313 1.00 0.00 H new ATOM 903 N TRP A 58 -1.892 -4.434 -5.999 1.00 0.00 N ATOM 904 CA TRP A 58 -3.043 -4.949 -6.743 1.00 0.00 C ATOM 905 C TRP A 58 -2.642 -5.974 -7.816 1.00 0.00 C ATOM 906 O TRP A 58 -3.454 -6.825 -8.182 1.00 0.00 O ATOM 907 CB TRP A 58 -3.823 -3.777 -7.346 1.00 0.00 C ATOM 908 CG TRP A 58 -4.116 -2.654 -6.394 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.446 -1.484 -6.358 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.095 -2.577 -5.306 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.885 -0.718 -5.299 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.910 -1.336 -4.618 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.118 -3.427 -4.829 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.699 -0.959 -3.521 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.912 -3.059 -3.727 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.701 -1.830 -3.077 1.00 0.00 C ATOM 0 H TRP A 58 -1.612 -3.495 -6.283 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.685 -5.487 -6.046 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.259 -3.380 -8.190 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.766 -4.153 -7.742 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.677 -1.190 -7.057 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.499 0.193 -5.051 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.293 -4.374 -5.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.536 -0.012 -3.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.688 -3.724 -3.378 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.315 -1.557 -2.231 1.00 0.00 H new ATOM 927 N LYS A 59 -1.377 -5.958 -8.264 1.00 0.00 N ATOM 928 CA LYS A 59 -0.785 -6.972 -9.159 1.00 0.00 C ATOM 929 C LYS A 59 -0.448 -8.275 -8.419 1.00 0.00 C ATOM 930 O LYS A 59 -0.355 -9.322 -9.060 1.00 0.00 O ATOM 931 CB LYS A 59 0.453 -6.388 -9.865 1.00 0.00 C ATOM 932 CG LYS A 59 0.111 -5.258 -10.856 1.00 0.00 C ATOM 933 CD LYS A 59 1.276 -4.299 -11.148 1.00 0.00 C ATOM 934 CE LYS A 59 2.617 -4.982 -11.447 1.00 0.00 C ATOM 935 NZ LYS A 59 3.737 -4.007 -11.372 1.00 0.00 N ATOM 0 H LYS A 59 -0.718 -5.222 -8.009 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.529 -7.232 -9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.145 -6.007 -9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.969 -7.186 -10.398 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.223 -5.702 -11.794 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.726 -4.684 -10.459 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.007 -3.672 -11.998 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.405 -3.637 -10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.785 -5.790 -10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.587 -5.432 -12.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.423 -4.207 -12.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.366 -3.042 -11.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.207 -4.089 -10.448 1.00 0.00 H new ATOM 949 N VAL A 60 -0.308 -8.249 -7.086 1.00 0.00 N ATOM 950 CA VAL A 60 -0.282 -9.471 -6.244 1.00 0.00 C ATOM 951 C VAL A 60 -1.690 -10.089 -6.125 1.00 0.00 C ATOM 952 O VAL A 60 -1.823 -11.299 -5.931 1.00 0.00 O ATOM 953 CB VAL A 60 0.330 -9.179 -4.856 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.400 -10.412 -3.944 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.769 -8.665 -4.961 1.00 0.00 C ATOM 0 H VAL A 60 -0.209 -7.385 -6.554 1.00 0.00 H new ATOM 0 HA VAL A 60 0.359 -10.204 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.340 -8.432 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.840 -10.132 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.605 -10.802 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.014 -11.179 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.160 -8.473 -3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.388 -9.414 -5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.784 -7.742 -5.541 1.00 0.00 H new ATOM 965 N GLY A 61 -2.746 -9.286 -6.313 1.00 0.00 N ATOM 966 CA GLY A 61 -4.141 -9.739 -6.404 1.00 0.00 C ATOM 967 C GLY A 61 -4.943 -9.674 -5.097 1.00 0.00 C ATOM 968 O GLY A 61 -6.011 -10.284 -5.012 1.00 0.00 O ATOM 0 H GLY A 61 -2.651 -8.275 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.652 -9.136 -7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.148 -10.768 -6.763 1.00 0.00 H new ATOM 972 N HIS A 62 -4.461 -8.953 -4.078 1.00 0.00 N ATOM 973 CA HIS A 62 -5.195 -8.752 -2.818 1.00 0.00 C ATOM 974 C HIS A 62 -6.416 -7.841 -3.002 1.00 0.00 C ATOM 975 O HIS A 62 -6.323 -6.763 -3.593 1.00 0.00 O ATOM 976 CB HIS A 62 -4.268 -8.202 -1.725 1.00 0.00 C ATOM 977 CG HIS A 62 -3.335 -9.248 -1.172 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.637 -10.141 -0.140 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.067 -9.491 -1.612 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.538 -10.900 0.020 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.585 -10.538 -0.857 1.00 0.00 N ATOM 0 H HIS A 62 -3.552 -8.492 -4.101 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.562 -9.728 -2.502 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.682 -7.378 -2.132 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.871 -7.794 -0.914 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.544 -8.966 -2.398 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.435 -11.689 0.750 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.663 -10.965 -0.948 1.00 0.00 H new ATOM 989 N SER A 63 -7.554 -8.268 -2.454 1.00 0.00 N ATOM 990 CA SER A 63 -8.784 -7.480 -2.314 1.00 0.00 C ATOM 991 C SER A 63 -8.886 -6.851 -0.924 1.00 0.00 C ATOM 992 O SER A 63 -8.285 -7.326 0.040 1.00 0.00 O ATOM 993 CB SER A 63 -10.015 -8.340 -2.631 1.00 0.00 C ATOM 994 OG SER A 63 -10.127 -9.431 -1.728 1.00 0.00 O ATOM 0 H SER A 63 -7.650 -9.212 -2.079 1.00 0.00 H new ATOM 0 HA SER A 63 -8.748 -6.664 -3.036 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.914 -7.726 -2.577 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.946 -8.715 -3.652 1.00 0.00 H new ATOM 0 HG SER A 63 -10.920 -9.961 -1.952 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.624 -5.746 -0.829 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.820 -4.964 0.398 1.00 0.00 C ATOM 1002 C ILE A 64 -11.297 -4.535 0.443 1.00 0.00 C ATOM 1003 O ILE A 64 -11.826 -4.049 -0.559 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.843 -3.761 0.430 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.398 -4.089 -0.024 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.823 -3.168 1.845 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.403 -2.933 0.152 1.00 0.00 C ATOM 0 H ILE A 64 -10.120 -5.354 -1.630 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.598 -5.555 1.287 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.220 -3.042 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.039 -4.951 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.417 -4.380 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.138 -2.321 1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.825 -2.834 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.492 -3.928 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.417 -3.247 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.734 -2.076 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.351 -2.655 1.205 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.981 -4.758 1.573 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.453 -4.631 1.715 1.00 0.00 C ATOM 1021 C ARG A 65 -13.893 -3.535 2.690 1.00 0.00 C ATOM 1022 O ARG A 65 -15.005 -3.021 2.571 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.118 -5.993 2.035 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.365 -6.911 3.019 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.349 -7.817 2.301 1.00 0.00 C ATOM 1026 NE ARG A 65 -11.044 -7.838 2.979 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.964 -8.478 2.582 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -9.940 -9.268 1.546 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -8.867 -8.300 3.241 1.00 0.00 N ATOM 0 H ARG A 65 -11.523 -5.039 2.440 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.812 -4.306 0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.112 -5.801 2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.254 -6.535 1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.847 -6.301 3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.082 -7.528 3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.744 -8.831 2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.218 -7.471 1.276 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.968 -7.303 3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.787 -9.415 0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.074 -9.739 1.284 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.852 -7.676 4.048 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.016 -8.784 2.955 1.00 0.00 H new ATOM 1043 N HIS A 66 -13.013 -3.126 3.603 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.149 -1.925 4.436 1.00 0.00 C ATOM 1045 C HIS A 66 -11.796 -1.202 4.524 1.00 0.00 C ATOM 1046 O HIS A 66 -11.158 -1.188 5.576 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.859 -2.220 5.781 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.355 -3.328 6.689 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -12.904 -4.561 6.315 1.00 0.00 N flip ATOM 1050 CD2 HIS A 66 -13.457 -3.315 8.085 1.00 0.00 C flip ATOM 1051 CE1 HIS A 66 -12.681 -5.283 7.463 1.00 0.00 C flip ATOM 1052 NE2 HIS A 66 -13.024 -4.516 8.506 1.00 0.00 N flip ATOM 0 H HIS A 66 -12.152 -3.639 3.792 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.828 -1.215 3.964 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.847 -1.297 6.361 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.902 -2.439 5.553 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.813 -2.502 8.701 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.297 -6.291 7.515 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.965 -4.803 9.483 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.305 -0.630 3.403 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.925 -0.156 3.275 1.00 0.00 C ATOM 1062 C PRO A 67 -9.515 0.941 4.258 1.00 0.00 C ATOM 1063 O PRO A 67 -8.384 0.920 4.732 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.767 0.311 1.819 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.204 0.558 1.375 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.975 -0.522 2.115 1.00 0.00 C ATOM 0 HA PRO A 67 -9.254 -0.976 3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.163 1.216 1.750 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.280 -0.446 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.545 1.557 1.647 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.315 0.466 0.295 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.024 -0.250 2.235 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.951 -1.468 1.574 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.409 1.848 4.653 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.127 2.848 5.691 1.00 0.00 C ATOM 1076 C ASP A 68 -9.958 2.245 7.103 1.00 0.00 C ATOM 1077 O ASP A 68 -9.520 2.939 8.024 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.193 3.952 5.641 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.622 3.398 5.732 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -13.089 2.831 4.713 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -13.269 3.536 6.795 1.00 0.00 O ATOM 0 H ASP A 68 -11.350 1.913 4.264 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.155 3.289 5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.025 4.651 6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.084 4.515 4.714 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.268 0.953 7.266 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.033 0.157 8.480 1.00 0.00 C ATOM 1088 C VAL A 69 -8.839 -0.797 8.315 1.00 0.00 C ATOM 1089 O VAL A 69 -8.020 -0.930 9.226 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.295 -0.645 8.868 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.166 -1.241 10.275 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.574 0.205 8.831 1.00 0.00 C ATOM 0 H VAL A 69 -10.709 0.409 6.524 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.798 0.859 9.280 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.374 -1.437 8.124 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.070 -1.799 10.518 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.306 -1.910 10.309 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.030 -0.438 10.999 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.428 -0.411 9.112 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.479 1.036 9.530 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.723 0.594 7.824 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.718 -1.458 7.158 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.716 -2.515 6.905 1.00 0.00 C ATOM 1104 C GLU A 70 -6.358 -1.983 6.447 1.00 0.00 C ATOM 1105 O GLU A 70 -5.332 -2.601 6.734 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.229 -3.494 5.826 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.514 -4.251 6.176 1.00 0.00 C ATOM 1108 CD GLU A 70 -9.945 -5.172 5.017 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.625 -4.710 4.069 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.629 -6.384 5.050 1.00 0.00 O ATOM 0 H GLU A 70 -9.320 -1.275 6.355 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.575 -3.013 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.397 -2.936 4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.445 -4.222 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.357 -4.844 7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.311 -3.540 6.396 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.349 -0.851 5.743 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.147 -0.173 5.261 1.00 0.00 C ATOM 1119 C VAL A 71 -4.702 0.854 6.294 1.00 0.00 C ATOM 1120 O VAL A 71 -5.225 1.963 6.402 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.350 0.427 3.871 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -3.982 0.849 3.363 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.893 -0.616 2.888 1.00 0.00 C ATOM 0 H VAL A 71 -7.208 -0.365 5.484 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.346 -0.902 5.143 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.056 1.254 3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.082 1.285 2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.554 1.587 4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.328 -0.021 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.026 -0.158 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.188 -1.443 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.852 -0.990 3.247 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.695 0.465 7.057 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.980 1.328 7.985 1.00 0.00 C ATOM 1135 C ASP A 72 -2.174 2.408 7.241 1.00 0.00 C ATOM 1136 O ASP A 72 -1.656 2.175 6.155 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.123 0.400 8.838 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.109 1.118 9.732 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -1.499 2.044 10.475 1.00 0.00 O ATOM 1140 OD2 ASP A 72 0.076 0.710 9.701 1.00 0.00 O ATOM 0 H ASP A 72 -3.340 -0.491 7.048 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.656 1.897 8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.778 -0.205 9.465 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.588 -0.286 8.181 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.097 3.611 7.803 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.427 4.777 7.202 1.00 0.00 C ATOM 1147 C GLY A 73 -2.282 5.543 6.182 1.00 0.00 C ATOM 1148 O GLY A 73 -1.905 6.636 5.758 1.00 0.00 O ATOM 0 H GLY A 73 -2.508 3.815 8.714 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.132 5.461 7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.512 4.443 6.713 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.484 5.045 5.861 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.488 5.719 5.025 1.00 0.00 C ATOM 1154 C PHE A 74 -4.845 7.127 5.538 1.00 0.00 C ATOM 1155 O PHE A 74 -5.083 8.044 4.750 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.724 4.811 4.997 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.893 5.332 4.191 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.956 5.083 2.809 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.926 6.049 4.826 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.048 5.553 2.062 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.015 6.525 4.076 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.073 6.277 2.695 1.00 0.00 C ATOM 0 H PHE A 74 -3.795 4.130 6.187 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.086 5.874 4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.432 3.840 4.596 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.056 4.646 6.022 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.166 4.531 2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.881 6.233 5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.100 5.358 1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.805 7.080 4.560 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.908 6.644 2.117 1.00 0.00 H new ATOM 1172 N SER A 75 -4.809 7.326 6.858 1.00 0.00 N ATOM 1173 CA SER A 75 -5.035 8.615 7.531 1.00 0.00 C ATOM 1174 C SER A 75 -3.971 9.684 7.219 1.00 0.00 C ATOM 1175 O SER A 75 -4.227 10.873 7.413 1.00 0.00 O ATOM 1176 CB SER A 75 -5.075 8.391 9.049 1.00 0.00 C ATOM 1177 OG SER A 75 -6.021 7.388 9.395 1.00 0.00 O ATOM 0 H SER A 75 -4.615 6.569 7.514 1.00 0.00 H new ATOM 0 HA SER A 75 -5.983 8.995 7.150 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.086 8.100 9.403 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.331 9.324 9.551 1.00 0.00 H new ATOM 0 HG SER A 75 -6.025 7.264 10.367 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.791 9.290 6.723 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.695 10.203 6.351 1.00 0.00 C ATOM 1185 C GLU A 76 -1.771 10.672 4.883 1.00 0.00 C ATOM 1186 O GLU A 76 -1.083 11.621 4.498 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.334 9.541 6.631 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.144 9.092 8.088 1.00 0.00 C ATOM 1189 CD GLU A 76 -0.228 10.267 9.085 1.00 0.00 C ATOM 1190 OE1 GLU A 76 0.676 11.137 9.082 1.00 0.00 O ATOM 1191 OE2 GLU A 76 -1.191 10.320 9.888 1.00 0.00 O ATOM 0 H GLU A 76 -2.564 8.308 6.565 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.804 11.094 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.221 8.676 5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.459 10.242 6.371 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.904 8.352 8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.824 8.602 8.190 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.612 10.031 4.061 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.866 10.413 2.668 1.00 0.00 C ATOM 1200 C LEU A 77 -3.751 11.669 2.571 1.00 0.00 C ATOM 1201 O LEU A 77 -4.590 11.922 3.443 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.539 9.245 1.926 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.765 7.919 1.859 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -3.623 6.912 1.088 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -1.417 8.054 1.155 1.00 0.00 C ATOM 0 H LEU A 77 -3.147 9.213 4.354 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.907 10.646 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.501 9.052 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.747 9.567 0.906 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.564 7.594 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.097 5.959 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.571 6.770 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.812 7.289 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.917 7.086 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.573 8.399 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.797 8.773 1.690 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.627 12.423 1.470 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.590 13.476 1.094 1.00 0.00 C ATOM 1219 C ARG A 78 -5.875 12.886 0.522 1.00 0.00 C ATOM 1220 O ARG A 78 -5.908 11.738 0.074 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.952 14.486 0.117 1.00 0.00 C ATOM 1222 CG ARG A 78 -3.022 15.490 0.814 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.818 16.470 1.694 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.940 17.487 2.307 1.00 0.00 N ATOM 1225 CZ ARG A 78 -2.559 18.643 1.789 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -2.931 19.034 0.602 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -1.782 19.441 2.464 1.00 0.00 N ATOM 0 H ARG A 78 -2.855 12.322 0.811 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.860 14.014 2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.388 13.943 -0.641 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.742 15.030 -0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.298 14.953 1.427 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.457 16.046 0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.581 16.963 1.092 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.337 15.917 2.477 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.586 17.273 3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.538 18.441 0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.615 19.933 0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.465 19.176 3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.491 20.331 2.060 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.928 13.704 0.504 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.275 13.314 0.074 1.00 0.00 C ATOM 1243 C TRP A 79 -8.304 12.650 -1.318 1.00 0.00 C ATOM 1244 O TRP A 79 -9.039 11.684 -1.520 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.215 14.532 0.172 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.214 14.691 -0.933 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.461 14.168 -0.979 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.031 15.394 -2.197 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.057 14.503 -2.182 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.219 15.258 -2.975 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.962 16.118 -2.767 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.344 15.822 -4.254 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.071 16.681 -4.052 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.259 16.536 -4.795 1.00 0.00 C ATOM 0 H TRP A 79 -6.868 14.680 0.795 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.634 12.539 0.751 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.756 14.471 1.116 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.604 15.433 0.213 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.920 13.580 -0.198 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.001 14.225 -2.450 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.046 16.242 -2.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.260 15.710 -4.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.239 17.227 -4.471 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.337 16.973 -5.780 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.465 13.104 -2.257 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.429 12.568 -3.624 1.00 0.00 C ATOM 1267 C ASP A 80 -6.818 11.155 -3.719 1.00 0.00 C ATOM 1268 O ASP A 80 -7.218 10.361 -4.569 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.708 13.544 -4.558 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.902 13.150 -6.035 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.062 12.913 -6.451 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.897 13.104 -6.785 1.00 0.00 O ATOM 0 H ASP A 80 -6.792 13.853 -2.091 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.466 12.462 -3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.086 14.553 -4.396 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.644 13.560 -4.320 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.881 10.807 -2.832 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.329 9.456 -2.722 1.00 0.00 C ATOM 1279 C ASP A 81 -6.211 8.574 -1.839 1.00 0.00 C ATOM 1280 O ASP A 81 -6.372 7.399 -2.146 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.887 9.500 -2.212 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.927 9.949 -3.318 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.785 9.204 -4.317 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.306 11.028 -3.173 1.00 0.00 O ATOM 0 H ASP A 81 -5.481 11.464 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.315 9.010 -3.717 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.818 10.183 -1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.595 8.514 -1.850 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.870 9.126 -0.815 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.889 8.405 -0.048 1.00 0.00 C ATOM 1291 C GLN A 82 -9.038 7.933 -0.949 1.00 0.00 C ATOM 1292 O GLN A 82 -9.345 6.740 -0.973 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.411 9.277 1.102 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.384 9.350 2.238 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.861 10.143 3.453 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.797 10.932 3.411 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.222 9.972 4.590 1.00 0.00 N ATOM 0 H GLN A 82 -6.712 10.082 -0.496 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.424 7.516 0.379 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.626 10.281 0.735 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.348 8.868 1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.133 8.337 2.553 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.468 9.802 1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.440 9.319 4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.508 10.493 5.419 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.623 8.823 -1.758 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.711 8.448 -2.667 1.00 0.00 C ATOM 1308 C GLN A 83 -10.256 7.498 -3.788 1.00 0.00 C ATOM 1309 O GLN A 83 -11.057 6.683 -4.238 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.442 9.694 -3.204 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.669 10.501 -4.264 1.00 0.00 C ATOM 1312 CD GLN A 83 -11.367 11.803 -4.671 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -12.513 12.077 -4.331 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -10.725 12.662 -5.435 1.00 0.00 N ATOM 0 H GLN A 83 -9.361 9.808 -1.802 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.432 7.877 -2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.394 9.381 -3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.670 10.351 -2.365 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.677 10.735 -3.878 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.529 9.881 -5.150 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.771 12.464 -5.735 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.182 13.526 -5.727 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.979 7.531 -4.203 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.425 6.664 -5.244 1.00 0.00 C ATOM 1325 C LYS A 84 -8.029 5.303 -4.680 1.00 0.00 C ATOM 1326 O LYS A 84 -8.308 4.306 -5.331 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.267 7.399 -5.936 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.579 6.571 -7.037 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.113 6.312 -6.676 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.271 7.545 -7.041 1.00 0.00 C ATOM 1331 NZ LYS A 84 -2.901 7.490 -6.474 1.00 0.00 N ATOM 0 H LYS A 84 -8.292 8.177 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.183 6.451 -5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.644 8.324 -6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.526 7.678 -5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.101 5.623 -7.167 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.638 7.100 -7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.022 6.098 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.745 5.436 -7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.208 7.629 -8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.773 8.443 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.229 7.911 -7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.874 8.021 -5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.638 6.499 -6.297 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.485 5.215 -3.465 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.232 3.922 -2.791 1.00 0.00 C ATOM 1347 C VAL A 85 -8.563 3.216 -2.499 1.00 0.00 C ATOM 1348 O VAL A 85 -8.699 2.032 -2.806 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.381 4.100 -1.512 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.280 2.824 -0.659 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.941 4.509 -1.848 1.00 0.00 C ATOM 0 H VAL A 85 -7.206 6.028 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.649 3.291 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.900 4.876 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.669 3.022 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.278 2.516 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.822 2.029 -1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.371 4.625 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.479 3.739 -2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.949 5.454 -2.392 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.584 3.939 -2.009 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.935 3.380 -1.802 1.00 0.00 C ATOM 1363 C LYS A 86 -11.616 2.994 -3.123 1.00 0.00 C ATOM 1364 O LYS A 86 -12.172 1.898 -3.211 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.803 4.329 -0.953 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.279 4.406 0.494 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.188 5.143 1.493 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.639 4.651 1.616 1.00 0.00 C ATOM 1369 NZ LYS A 86 -13.775 3.242 2.066 1.00 0.00 N ATOM 0 H LYS A 86 -9.500 4.921 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.820 2.453 -1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.803 5.324 -1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.836 3.981 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.118 3.391 0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.307 4.899 0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.726 5.083 2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.211 6.197 1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.170 5.296 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.129 4.759 0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.780 3.022 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.389 2.607 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.252 3.109 2.955 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.498 3.810 -4.179 1.00 0.00 N ATOM 1384 CA LYS A 87 -12.006 3.466 -5.526 1.00 0.00 C ATOM 1385 C LYS A 87 -11.275 2.261 -6.113 1.00 0.00 C ATOM 1386 O LYS A 87 -11.917 1.387 -6.680 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.951 4.701 -6.446 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.539 4.490 -7.855 1.00 0.00 C ATOM 1389 CD LYS A 87 -11.505 4.056 -8.908 1.00 0.00 C ATOM 1390 CE LYS A 87 -12.188 3.928 -10.276 1.00 0.00 C ATOM 1391 NZ LYS A 87 -11.220 3.568 -11.346 1.00 0.00 N ATOM 0 H LYS A 87 -11.050 4.725 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.051 3.168 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.487 5.519 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.912 5.015 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.324 3.736 -7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.009 5.417 -8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.696 4.785 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.058 3.104 -8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.969 3.170 -10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.675 4.870 -10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.720 3.491 -12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.489 4.304 -11.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.774 2.657 -11.118 1.00 0.00 H new ATOM 1405 N THR A 88 -9.960 2.164 -5.935 1.00 0.00 N ATOM 1406 CA THR A 88 -9.128 1.054 -6.420 1.00 0.00 C ATOM 1407 C THR A 88 -9.440 -0.262 -5.697 1.00 0.00 C ATOM 1408 O THR A 88 -9.444 -1.315 -6.333 1.00 0.00 O ATOM 1409 CB THR A 88 -7.636 1.415 -6.339 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.392 2.547 -7.141 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.758 0.317 -6.915 1.00 0.00 C ATOM 0 H THR A 88 -9.424 2.873 -5.436 1.00 0.00 H new ATOM 0 HA THR A 88 -9.375 0.892 -7.469 1.00 0.00 H new ATOM 0 HB THR A 88 -7.405 1.577 -5.286 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.667 3.355 -6.659 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.711 0.611 -6.839 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.917 -0.606 -6.358 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.015 0.158 -7.962 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.802 -0.212 -4.411 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.258 -1.371 -3.650 1.00 0.00 C ATOM 1421 C ALA A 89 -11.636 -1.848 -4.137 1.00 0.00 C ATOM 1422 O ALA A 89 -11.856 -3.049 -4.299 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.286 -0.986 -2.170 1.00 0.00 C ATOM 0 H ALA A 89 -9.785 0.649 -3.865 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.574 -2.207 -3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.624 -1.837 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.285 -0.697 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.969 -0.149 -2.025 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.535 -0.911 -4.460 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.847 -1.222 -5.044 1.00 0.00 C ATOM 1431 C GLU A 90 -13.748 -1.722 -6.499 1.00 0.00 C ATOM 1432 O GLU A 90 -14.522 -2.583 -6.923 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.764 0.012 -4.964 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.252 0.330 -3.543 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.329 -0.669 -3.073 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -17.531 -0.451 -3.363 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -15.986 -1.675 -2.406 1.00 0.00 O ATOM 0 H GLU A 90 -12.374 0.087 -4.324 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.274 -2.037 -4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.229 0.877 -5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.629 -0.147 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.408 0.306 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -15.657 1.342 -3.515 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.769 -1.216 -7.252 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.464 -1.581 -8.635 1.00 0.00 C ATOM 1446 C ALA A 91 -11.683 -2.908 -8.770 1.00 0.00 C ATOM 1447 O ALA A 91 -11.586 -3.457 -9.871 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.690 -0.405 -9.251 1.00 0.00 C ATOM 0 H ALA A 91 -12.134 -0.503 -6.893 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.397 -1.763 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.441 -0.636 -10.287 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.306 0.494 -9.217 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.773 -0.237 -8.686 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.123 -3.430 -7.672 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.314 -4.654 -7.654 1.00 0.00 C ATOM 1456 C GLY A 92 -8.904 -4.491 -8.245 1.00 0.00 C ATOM 1457 O GLY A 92 -8.340 -5.468 -8.743 1.00 0.00 O ATOM 0 H GLY A 92 -11.222 -3.003 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.226 -5.002 -6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.840 -5.431 -8.209 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.339 -3.277 -8.214 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.002 -2.954 -8.710 1.00 0.00 C ATOM 1463 C GLY A 93 -6.968 -1.951 -9.865 1.00 0.00 C ATOM 1464 O GLY A 93 -7.897 -1.857 -10.672 1.00 0.00 O ATOM 0 H GLY A 93 -8.821 -2.465 -7.828 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.411 -2.556 -7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.518 -3.875 -9.034 1.00 0.00 H new ATOM 1468 N VAL A 94 -5.865 -1.202 -9.936 1.00 0.00 N ATOM 1469 CA VAL A 94 -5.539 -0.245 -11.010 1.00 0.00 C ATOM 1470 C VAL A 94 -4.024 -0.184 -11.265 1.00 0.00 C ATOM 1471 O VAL A 94 -3.220 -0.489 -10.380 1.00 0.00 O ATOM 1472 CB VAL A 94 -6.131 1.152 -10.700 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -5.253 2.013 -9.783 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -6.420 1.948 -11.977 1.00 0.00 C ATOM 0 H VAL A 94 -5.141 -1.243 -9.219 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.001 -0.599 -11.932 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.060 0.935 -10.172 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.737 2.975 -9.614 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.115 1.504 -8.829 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.283 2.173 -10.253 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.834 2.921 -11.713 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.495 2.087 -12.536 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.137 1.403 -12.591 1.00 0.00 H new ATOM 1484 N THR A 95 -3.634 0.236 -12.469 1.00 0.00 N ATOM 1485 CA THR A 95 -2.240 0.468 -12.891 1.00 0.00 C ATOM 1486 C THR A 95 -2.103 1.817 -13.613 1.00 0.00 C ATOM 1487 O THR A 95 -3.044 2.273 -14.269 1.00 0.00 O ATOM 1488 CB THR A 95 -1.719 -0.680 -13.781 1.00 0.00 C ATOM 1489 OG1 THR A 95 -2.561 -0.904 -14.898 1.00 0.00 O ATOM 1490 CG2 THR A 95 -1.644 -2.003 -13.015 1.00 0.00 C ATOM 0 H THR A 95 -4.304 0.434 -13.212 1.00 0.00 H new ATOM 0 HA THR A 95 -1.626 0.495 -11.991 1.00 0.00 H new ATOM 0 HB THR A 95 -0.727 -0.367 -14.105 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.199 -1.636 -15.439 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.273 -2.786 -13.676 1.00 0.00 H new ATOM 0 HG22 THR A 95 -0.969 -1.894 -12.166 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.637 -2.272 -12.656 1.00 0.00 H new ATOM 1498 N GLY A 96 -0.945 2.477 -13.491 1.00 0.00 N ATOM 1499 CA GLY A 96 -0.718 3.818 -14.047 1.00 0.00 C ATOM 1500 C GLY A 96 0.651 4.421 -13.705 1.00 0.00 C ATOM 1501 O GLY A 96 1.598 3.703 -13.371 1.00 0.00 O ATOM 0 H GLY A 96 -0.135 2.095 -13.002 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.820 3.771 -15.131 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.498 4.487 -13.682 1.00 0.00 H new ATOM 1505 N LYS A 97 0.751 5.755 -13.795 1.00 0.00 N ATOM 1506 CA LYS A 97 1.974 6.543 -13.547 1.00 0.00 C ATOM 1507 C LYS A 97 2.465 6.428 -12.091 1.00 0.00 C ATOM 1508 O LYS A 97 1.662 6.355 -11.158 1.00 0.00 O ATOM 1509 CB LYS A 97 1.694 8.011 -13.938 1.00 0.00 C ATOM 1510 CG LYS A 97 2.909 8.960 -13.925 1.00 0.00 C ATOM 1511 CD LYS A 97 4.036 8.607 -14.914 1.00 0.00 C ATOM 1512 CE LYS A 97 3.605 8.565 -16.390 1.00 0.00 C ATOM 1513 NZ LYS A 97 3.215 9.905 -16.908 1.00 0.00 N ATOM 0 H LYS A 97 -0.045 6.339 -14.052 1.00 0.00 H new ATOM 0 HA LYS A 97 2.782 6.143 -14.159 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.260 8.023 -14.938 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.940 8.409 -13.259 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.562 9.970 -14.142 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.325 8.976 -12.918 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.839 9.336 -14.804 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.449 7.635 -14.642 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.423 8.170 -16.993 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.766 7.878 -16.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.933 9.823 -17.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.417 10.273 -16.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.022 10.556 -16.829 1.00 0.00 H new ATOM 1527 N GLY A 98 3.785 6.464 -11.904 1.00 0.00 N ATOM 1528 CA GLY A 98 4.457 6.475 -10.600 1.00 0.00 C ATOM 1529 C GLY A 98 5.959 6.767 -10.711 1.00 0.00 C ATOM 1530 O GLY A 98 6.478 7.008 -11.806 1.00 0.00 O ATOM 0 H GLY A 98 4.442 6.487 -12.684 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.991 7.226 -9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.313 5.510 -10.114 1.00 0.00 H new ATOM 1534 N GLN A 99 6.657 6.748 -9.573 1.00 0.00 N ATOM 1535 CA GLN A 99 8.115 6.936 -9.498 1.00 0.00 C ATOM 1536 C GLN A 99 8.894 5.673 -9.931 1.00 0.00 C ATOM 1537 O GLN A 99 8.336 4.579 -10.036 1.00 0.00 O ATOM 1538 CB GLN A 99 8.518 7.350 -8.071 1.00 0.00 C ATOM 1539 CG GLN A 99 7.889 8.642 -7.521 1.00 0.00 C ATOM 1540 CD GLN A 99 8.362 9.944 -8.173 1.00 0.00 C ATOM 1541 OE1 GLN A 99 8.974 9.987 -9.233 1.00 0.00 O ATOM 1542 NE2 GLN A 99 8.093 11.068 -7.545 1.00 0.00 N ATOM 0 H GLN A 99 6.222 6.600 -8.662 1.00 0.00 H new ATOM 0 HA GLN A 99 8.379 7.729 -10.197 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.263 6.533 -7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 99 9.602 7.461 -8.042 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.807 8.574 -7.634 1.00 0.00 H new ATOM 0 HG3 GLN A 99 8.095 8.697 -6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.584 11.049 -6.661 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.393 11.958 -7.942 1.00 0.00 H new ATOM 1551 N ASP A 100 10.204 5.823 -10.149 1.00 0.00 N ATOM 1552 CA ASP A 100 11.131 4.762 -10.573 1.00 0.00 C ATOM 1553 C ASP A 100 12.380 4.697 -9.669 1.00 0.00 C ATOM 1554 O ASP A 100 12.906 5.734 -9.253 1.00 0.00 O ATOM 1555 CB ASP A 100 11.512 5.007 -12.041 1.00 0.00 C ATOM 1556 CG ASP A 100 12.509 3.964 -12.570 1.00 0.00 C ATOM 1557 OD1 ASP A 100 12.154 2.763 -12.610 1.00 0.00 O ATOM 1558 OD2 ASP A 100 13.644 4.341 -12.945 1.00 0.00 O ATOM 0 H ASP A 100 10.670 6.723 -10.031 1.00 0.00 H new ATOM 0 HA ASP A 100 10.638 3.794 -10.479 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.612 4.989 -12.655 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.945 6.002 -12.140 1.00 0.00 H new ATOM 1563 N GLY A 101 12.871 3.487 -9.376 1.00 0.00 N ATOM 1564 CA GLY A 101 14.069 3.265 -8.559 1.00 0.00 C ATOM 1565 C GLY A 101 14.584 1.820 -8.592 1.00 0.00 C ATOM 1566 O GLY A 101 13.810 0.866 -8.698 1.00 0.00 O ATOM 0 H GLY A 101 12.441 2.623 -9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.860 3.931 -8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.849 3.539 -7.527 1.00 0.00 H new ATOM 1570 N ILE A 102 15.905 1.658 -8.488 1.00 0.00 N ATOM 1571 CA ILE A 102 16.616 0.367 -8.470 1.00 0.00 C ATOM 1572 C ILE A 102 17.919 0.479 -7.655 1.00 0.00 C ATOM 1573 O ILE A 102 18.491 1.568 -7.535 1.00 0.00 O ATOM 1574 CB ILE A 102 16.856 -0.121 -9.925 1.00 0.00 C ATOM 1575 CG1 ILE A 102 17.340 -1.584 -10.042 1.00 0.00 C ATOM 1576 CG2 ILE A 102 17.840 0.781 -10.693 1.00 0.00 C ATOM 1577 CD1 ILE A 102 16.359 -2.612 -9.465 1.00 0.00 C ATOM 0 H ILE A 102 16.540 2.453 -8.411 1.00 0.00 H new ATOM 0 HA ILE A 102 16.003 -0.384 -7.972 1.00 0.00 H new ATOM 0 HB ILE A 102 15.865 -0.063 -10.375 1.00 0.00 H new ATOM 0 HG12 ILE A 102 17.517 -1.815 -11.093 1.00 0.00 H new ATOM 0 HG13 ILE A 102 18.297 -1.682 -9.529 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.973 0.396 -11.704 1.00 0.00 H new ATOM 0 HG22 ILE A 102 17.443 1.795 -10.740 1.00 0.00 H new ATOM 0 HG23 ILE A 102 18.801 0.791 -10.179 1.00 0.00 H new ATOM 0 HD11 ILE A 102 16.770 -3.614 -9.585 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.200 -2.409 -8.406 1.00 0.00 H new ATOM 0 HD13 ILE A 102 15.408 -2.544 -9.994 1.00 0.00 H new ATOM 1589 N GLY A 103 18.399 -0.633 -7.088 1.00 0.00 N ATOM 1590 CA GLY A 103 19.684 -0.690 -6.377 1.00 0.00 C ATOM 1591 C GLY A 103 20.891 -0.479 -7.303 1.00 0.00 C ATOM 1592 O GLY A 103 20.893 -0.920 -8.454 1.00 0.00 O ATOM 0 H GLY A 103 17.905 -1.525 -7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 103 19.695 0.070 -5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 103 19.777 -1.657 -5.882 1.00 0.00 H new ATOM 1596 N SER A 104 21.944 0.169 -6.797 1.00 0.00 N ATOM 1597 CA SER A 104 23.144 0.553 -7.570 1.00 0.00 C ATOM 1598 C SER A 104 23.979 -0.631 -8.090 1.00 0.00 C ATOM 1599 O SER A 104 24.767 -0.467 -9.026 1.00 0.00 O ATOM 1600 CB SER A 104 24.022 1.483 -6.725 1.00 0.00 C ATOM 1601 OG SER A 104 24.384 0.857 -5.501 1.00 0.00 O ATOM 0 H SER A 104 21.994 0.451 -5.818 1.00 0.00 H new ATOM 0 HA SER A 104 22.777 1.064 -8.460 1.00 0.00 H new ATOM 0 HB2 SER A 104 24.920 1.749 -7.282 1.00 0.00 H new ATOM 0 HB3 SER A 104 23.487 2.410 -6.521 1.00 0.00 H new ATOM 0 HG SER A 104 24.945 1.465 -4.976 1.00 0.00 H new ATOM 1607 N LYS A 105 23.777 -1.837 -7.538 1.00 0.00 N ATOM 1608 CA LYS A 105 24.402 -3.096 -7.985 1.00 0.00 C ATOM 1609 C LYS A 105 23.912 -3.563 -9.369 1.00 0.00 C ATOM 1610 O LYS A 105 24.618 -4.315 -10.042 1.00 0.00 O ATOM 1611 CB LYS A 105 24.172 -4.154 -6.887 1.00 0.00 C ATOM 1612 CG LYS A 105 25.005 -5.431 -7.083 1.00 0.00 C ATOM 1613 CD LYS A 105 24.848 -6.379 -5.884 1.00 0.00 C ATOM 1614 CE LYS A 105 25.605 -7.702 -6.075 1.00 0.00 C ATOM 1615 NZ LYS A 105 27.081 -7.525 -6.051 1.00 0.00 N ATOM 0 H LYS A 105 23.154 -1.970 -6.742 1.00 0.00 H new ATOM 0 HA LYS A 105 25.471 -2.933 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 105 24.412 -3.718 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 105 23.115 -4.419 -6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 105 24.691 -5.938 -7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 105 26.055 -5.169 -7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 105 25.211 -5.883 -4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.790 -6.589 -5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 105 25.314 -8.400 -5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.312 -8.150 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 27.543 -8.447 -6.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 27.366 -6.881 -6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 27.368 -7.123 -5.136 1.00 0.00 H new ATOM 1629 N ALA A 106 22.746 -3.095 -9.827 1.00 0.00 N ATOM 1630 CA ALA A 106 22.128 -3.451 -11.112 1.00 0.00 C ATOM 1631 C ALA A 106 22.751 -2.719 -12.329 1.00 0.00 C ATOM 1632 O ALA A 106 22.046 -2.181 -13.187 1.00 0.00 O ATOM 1633 CB ALA A 106 20.608 -3.264 -10.985 1.00 0.00 C ATOM 0 H ALA A 106 22.184 -2.432 -9.293 1.00 0.00 H new ATOM 0 HA ALA A 106 22.337 -4.499 -11.328 1.00 0.00 H new ATOM 0 HB1 ALA A 106 20.129 -3.523 -11.929 1.00 0.00 H new ATOM 0 HB2 ALA A 106 20.227 -3.911 -10.195 1.00 0.00 H new ATOM 0 HB3 ALA A 106 20.388 -2.225 -10.740 1.00 0.00 H new ATOM 1639 N GLU A 107 24.083 -2.674 -12.400 1.00 0.00 N ATOM 1640 CA GLU A 107 24.844 -2.050 -13.489 1.00 0.00 C ATOM 1641 C GLU A 107 24.990 -2.986 -14.708 1.00 0.00 C ATOM 1642 O GLU A 107 25.245 -4.185 -14.547 1.00 0.00 O ATOM 1643 CB GLU A 107 26.207 -1.584 -12.944 1.00 0.00 C ATOM 1644 CG GLU A 107 27.022 -0.778 -13.964 1.00 0.00 C ATOM 1645 CD GLU A 107 28.312 -0.224 -13.328 1.00 0.00 C ATOM 1646 OE1 GLU A 107 29.333 -0.955 -13.278 1.00 0.00 O ATOM 1647 OE2 GLU A 107 28.322 0.950 -12.884 1.00 0.00 O ATOM 0 H GLU A 107 24.681 -3.082 -11.681 1.00 0.00 H new ATOM 0 HA GLU A 107 24.295 -1.182 -13.854 1.00 0.00 H new ATOM 0 HB2 GLU A 107 26.046 -0.975 -12.054 1.00 0.00 H new ATOM 0 HB3 GLU A 107 26.784 -2.455 -12.634 1.00 0.00 H new ATOM 0 HG2 GLU A 107 27.275 -1.411 -14.814 1.00 0.00 H new ATOM 0 HG3 GLU A 107 26.419 0.045 -14.347 1.00 0.00 H new ATOM 1654 N LYS A 108 24.862 -2.418 -15.920 1.00 0.00 N ATOM 1655 CA LYS A 108 24.975 -3.077 -17.241 1.00 0.00 C ATOM 1656 C LYS A 108 24.138 -4.370 -17.366 1.00 0.00 C ATOM 1657 O LYS A 108 22.898 -4.238 -17.479 1.00 0.00 O ATOM 1658 CB LYS A 108 26.469 -3.208 -17.620 1.00 0.00 C ATOM 1659 CG LYS A 108 26.750 -3.580 -19.088 1.00 0.00 C ATOM 1660 CD LYS A 108 26.279 -2.519 -20.095 1.00 0.00 C ATOM 1661 CE LYS A 108 26.720 -2.909 -21.512 1.00 0.00 C ATOM 1662 NZ LYS A 108 26.279 -1.909 -22.519 1.00 0.00 N ATOM 1663 OXT LYS A 108 24.690 -5.496 -17.387 1.00 0.00 O ATOM 0 H LYS A 108 24.664 -1.422 -16.013 1.00 0.00 H new ATOM 0 HA LYS A 108 24.511 -2.442 -17.996 1.00 0.00 H new ATOM 0 HB2 LYS A 108 26.966 -2.263 -17.401 1.00 0.00 H new ATOM 0 HB3 LYS A 108 26.924 -3.963 -16.979 1.00 0.00 H new ATOM 0 HG2 LYS A 108 27.821 -3.738 -19.215 1.00 0.00 H new ATOM 0 HG3 LYS A 108 26.259 -4.526 -19.314 1.00 0.00 H new ATOM 0 HD2 LYS A 108 25.194 -2.425 -20.056 1.00 0.00 H new ATOM 0 HD3 LYS A 108 26.693 -1.546 -19.831 1.00 0.00 H new ATOM 0 HE2 LYS A 108 27.806 -3.002 -21.543 1.00 0.00 H new ATOM 0 HE3 LYS A 108 26.309 -3.886 -21.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 26.595 -2.206 -23.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 25.241 -1.838 -22.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 26.692 -0.982 -22.291 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 6.886 -2.808 -7.974 1.00 0.00 ZN