USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 837 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 GLN : amide:sc= 0.282 K(o=-1.8,f=-3) USER MOD Set 1.2: A 73 CYS SG : rot 110:sc= -2.13! USER MOD Set 2.1: A 41 CYS SG : rot 10:sc= -0.196 USER MOD Set 2.2: A 90 CYS SG : rot 97:sc= 0.464 USER MOD Single : A 1 GLY N :NH3+ -171:sc= 0 (180deg=-0.0774) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 58:sc=1.99e-05 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 135:sc= 1.18 USER MOD Single : A 28 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.1) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -143:sc= 0.896 (180deg=-0.117) USER MOD Single : A 46 MET CE :methyl 172:sc= 0 (180deg=-0.0882) USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0432) USER MOD Single : A 55 HIS : no HD1:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 57 THR OG1 : rot -66:sc= 0.882 USER MOD Single : A 64 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.71) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot -34:sc= -0.191 USER MOD Single : A 91 MET CE :methyl -158:sc= -2.25 (180deg=-2.89!) USER MOD Single : A 92 CYS SG : rot 140:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 140:sc= 0.0916 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -147:sc= -1.09 (180deg=-2.19!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 15:sc= 0.0129 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 40.952 12.448 -17.832 1.00 0.00 N ATOM 2 CA GLY A 1 40.600 12.518 -16.426 1.00 0.00 C ATOM 3 C GLY A 1 39.239 11.914 -16.139 1.00 0.00 C ATOM 4 O GLY A 1 39.044 11.267 -15.110 1.00 0.00 O ATOM 0 H1 GLY A 1 41.945 12.731 -17.956 1.00 0.00 H new ATOM 0 H2 GLY A 1 40.824 11.474 -18.174 1.00 0.00 H new ATOM 0 H3 GLY A 1 40.339 13.089 -18.376 1.00 0.00 H new ATOM 0 HA2 GLY A 1 41.356 11.997 -15.839 1.00 0.00 H new ATOM 0 HA3 GLY A 1 40.607 13.559 -16.104 1.00 0.00 H new ATOM 8 N SER A 2 38.295 12.128 -17.050 1.00 0.00 N ATOM 9 CA SER A 2 36.943 11.605 -16.886 1.00 0.00 C ATOM 10 C SER A 2 36.317 12.112 -15.591 1.00 0.00 C ATOM 11 O SER A 2 35.500 11.429 -14.974 1.00 0.00 O ATOM 12 CB SER A 2 36.962 10.075 -16.893 1.00 0.00 C ATOM 13 OG SER A 2 36.023 9.558 -17.821 1.00 0.00 O ATOM 0 H SER A 2 38.441 12.659 -17.908 1.00 0.00 H new ATOM 0 HA SER A 2 36.339 11.958 -17.722 1.00 0.00 H new ATOM 0 HB2 SER A 2 37.961 9.722 -17.147 1.00 0.00 H new ATOM 0 HB3 SER A 2 36.736 9.701 -15.895 1.00 0.00 H new ATOM 0 HG SER A 2 36.055 8.579 -17.808 1.00 0.00 H new ATOM 19 N SER A 3 36.707 13.316 -15.184 1.00 0.00 N ATOM 20 CA SER A 3 36.188 13.914 -13.960 1.00 0.00 C ATOM 21 C SER A 3 35.531 15.260 -14.250 1.00 0.00 C ATOM 22 O SER A 3 35.756 15.860 -15.300 1.00 0.00 O ATOM 23 CB SER A 3 37.313 14.092 -12.937 1.00 0.00 C ATOM 24 OG SER A 3 37.850 15.402 -12.993 1.00 0.00 O ATOM 0 H SER A 3 37.381 13.896 -15.684 1.00 0.00 H new ATOM 0 HA SER A 3 35.435 13.243 -13.548 1.00 0.00 H new ATOM 0 HB2 SER A 3 36.932 13.894 -11.935 1.00 0.00 H new ATOM 0 HB3 SER A 3 38.101 13.364 -13.128 1.00 0.00 H new ATOM 0 HG SER A 3 38.566 15.491 -12.329 1.00 0.00 H new ATOM 30 N GLY A 4 34.717 15.729 -13.308 1.00 0.00 N ATOM 31 CA GLY A 4 34.039 17.001 -13.480 1.00 0.00 C ATOM 32 C GLY A 4 33.556 17.582 -12.167 1.00 0.00 C ATOM 33 O GLY A 4 32.706 16.996 -11.496 1.00 0.00 O ATOM 0 H GLY A 4 34.515 15.251 -12.430 1.00 0.00 H new ATOM 0 HA2 GLY A 4 34.716 17.708 -13.960 1.00 0.00 H new ATOM 0 HA3 GLY A 4 33.189 16.869 -14.150 1.00 0.00 H new ATOM 37 N SER A 5 34.099 18.738 -11.797 1.00 0.00 N ATOM 38 CA SER A 5 33.722 19.396 -10.552 1.00 0.00 C ATOM 39 C SER A 5 33.010 20.717 -10.830 1.00 0.00 C ATOM 40 O SER A 5 33.444 21.776 -10.377 1.00 0.00 O ATOM 41 CB SER A 5 34.959 19.643 -9.686 1.00 0.00 C ATOM 42 OG SER A 5 36.001 20.234 -10.442 1.00 0.00 O ATOM 0 H SER A 5 34.801 19.238 -12.342 1.00 0.00 H new ATOM 0 HA SER A 5 33.037 18.739 -10.016 1.00 0.00 H new ATOM 0 HB2 SER A 5 34.698 20.293 -8.851 1.00 0.00 H new ATOM 0 HB3 SER A 5 35.303 18.700 -9.261 1.00 0.00 H new ATOM 0 HG SER A 5 35.687 21.078 -10.828 1.00 0.00 H new ATOM 48 N SER A 6 31.914 20.645 -11.578 1.00 0.00 N ATOM 49 CA SER A 6 31.143 21.834 -11.921 1.00 0.00 C ATOM 50 C SER A 6 29.849 21.893 -11.115 1.00 0.00 C ATOM 51 O SER A 6 29.287 20.863 -10.745 1.00 0.00 O ATOM 52 CB SER A 6 30.825 21.849 -13.417 1.00 0.00 C ATOM 53 OG SER A 6 31.964 21.494 -14.183 1.00 0.00 O ATOM 0 H SER A 6 31.540 19.776 -11.958 1.00 0.00 H new ATOM 0 HA SER A 6 31.745 22.709 -11.676 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.011 21.155 -13.626 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.481 22.841 -13.709 1.00 0.00 H new ATOM 0 HG SER A 6 31.735 21.509 -15.136 1.00 0.00 H new ATOM 59 N GLY A 7 29.381 23.109 -10.846 1.00 0.00 N ATOM 60 CA GLY A 7 28.157 23.281 -10.085 1.00 0.00 C ATOM 61 C GLY A 7 28.092 24.626 -9.390 1.00 0.00 C ATOM 62 O GLY A 7 28.880 24.904 -8.486 1.00 0.00 O ATOM 0 H GLY A 7 29.828 23.977 -11.141 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.301 23.178 -10.752 1.00 0.00 H new ATOM 0 HA3 GLY A 7 28.080 22.487 -9.342 1.00 0.00 H new ATOM 66 N ARG A 8 27.151 25.464 -9.812 1.00 0.00 N ATOM 67 CA ARG A 8 26.987 26.789 -9.226 1.00 0.00 C ATOM 68 C ARG A 8 25.548 27.274 -9.371 1.00 0.00 C ATOM 69 O ARG A 8 24.701 26.582 -9.937 1.00 0.00 O ATOM 70 CB ARG A 8 27.942 27.784 -9.888 1.00 0.00 C ATOM 71 CG ARG A 8 29.252 27.963 -9.139 1.00 0.00 C ATOM 72 CD ARG A 8 29.426 29.393 -8.653 1.00 0.00 C ATOM 73 NE ARG A 8 28.754 29.622 -7.376 1.00 0.00 N ATOM 74 CZ ARG A 8 29.027 30.647 -6.576 1.00 0.00 C ATOM 75 NH1 ARG A 8 29.953 31.531 -6.918 1.00 0.00 N ATOM 76 NH2 ARG A 8 28.372 30.788 -5.430 1.00 0.00 N ATOM 0 H ARG A 8 26.490 25.249 -10.558 1.00 0.00 H new ATOM 0 HA ARG A 8 27.223 26.721 -8.164 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.157 27.448 -10.903 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.446 28.751 -9.970 1.00 0.00 H new ATOM 0 HG2 ARG A 8 29.282 27.282 -8.288 1.00 0.00 H new ATOM 0 HG3 ARG A 8 30.084 27.695 -9.790 1.00 0.00 H new ATOM 0 HD2 ARG A 8 30.488 29.614 -8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 8 29.029 30.081 -9.400 1.00 0.00 H new ATOM 0 HE ARG A 8 28.036 28.959 -7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 8 30.459 31.426 -7.798 1.00 0.00 H new ATOM 0 HH12 ARG A 8 30.160 32.317 -6.302 1.00 0.00 H new ATOM 0 HH21 ARG A 8 27.659 30.109 -5.163 1.00 0.00 H new ATOM 0 HH22 ARG A 8 28.582 31.575 -4.816 1.00 0.00 H new ATOM 90 N THR A 9 25.277 28.469 -8.854 1.00 0.00 N ATOM 91 CA THR A 9 23.940 29.046 -8.924 1.00 0.00 C ATOM 92 C THR A 9 22.919 28.154 -8.228 1.00 0.00 C ATOM 93 O THR A 9 23.249 27.065 -7.759 1.00 0.00 O ATOM 94 CB THR A 9 23.500 29.269 -10.384 1.00 0.00 C ATOM 95 OG1 THR A 9 24.622 29.120 -11.262 1.00 0.00 O ATOM 96 CG2 THR A 9 22.892 30.652 -10.560 1.00 0.00 C ATOM 0 H THR A 9 25.966 29.056 -8.383 1.00 0.00 H new ATOM 0 HA THR A 9 23.984 30.009 -8.415 1.00 0.00 H new ATOM 0 HB THR A 9 22.745 28.523 -10.631 1.00 0.00 H new ATOM 0 HG1 THR A 9 24.334 29.261 -12.188 1.00 0.00 H new ATOM 0 HG21 THR A 9 22.589 30.787 -11.598 1.00 0.00 H new ATOM 0 HG22 THR A 9 22.021 30.752 -9.912 1.00 0.00 H new ATOM 0 HG23 THR A 9 23.630 31.410 -10.296 1.00 0.00 H new ATOM 104 N SER A 10 21.676 28.622 -8.166 1.00 0.00 N ATOM 105 CA SER A 10 20.606 27.867 -7.525 1.00 0.00 C ATOM 106 C SER A 10 19.732 27.172 -8.564 1.00 0.00 C ATOM 107 O SER A 10 19.627 27.624 -9.704 1.00 0.00 O ATOM 108 CB SER A 10 19.750 28.792 -6.658 1.00 0.00 C ATOM 109 OG SER A 10 18.918 29.615 -7.457 1.00 0.00 O ATOM 0 H SER A 10 21.386 29.520 -8.552 1.00 0.00 H new ATOM 0 HA SER A 10 21.061 27.105 -6.892 1.00 0.00 H new ATOM 0 HB2 SER A 10 19.136 28.197 -5.982 1.00 0.00 H new ATOM 0 HB3 SER A 10 20.395 29.415 -6.038 1.00 0.00 H new ATOM 0 HG SER A 10 18.380 30.195 -6.879 1.00 0.00 H new ATOM 115 N ALA A 11 19.108 26.070 -8.162 1.00 0.00 N ATOM 116 CA ALA A 11 18.241 25.313 -9.057 1.00 0.00 C ATOM 117 C ALA A 11 16.836 25.181 -8.479 1.00 0.00 C ATOM 118 O ALA A 11 16.580 24.322 -7.637 1.00 0.00 O ATOM 119 CB ALA A 11 18.834 23.938 -9.327 1.00 0.00 C ATOM 0 H ALA A 11 19.187 25.681 -7.222 1.00 0.00 H new ATOM 0 HA ALA A 11 18.168 25.857 -9.999 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.177 23.383 -9.997 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.814 24.049 -9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.937 23.395 -8.387 1.00 0.00 H new ATOM 125 N MET A 12 15.930 26.039 -8.937 1.00 0.00 N ATOM 126 CA MET A 12 14.551 26.017 -8.466 1.00 0.00 C ATOM 127 C MET A 12 14.483 26.312 -6.970 1.00 0.00 C ATOM 128 O MET A 12 15.508 26.526 -6.322 1.00 0.00 O ATOM 129 CB MET A 12 13.910 24.660 -8.760 1.00 0.00 C ATOM 130 CG MET A 12 14.167 24.159 -10.172 1.00 0.00 C ATOM 131 SD MET A 12 12.975 22.912 -10.695 1.00 0.00 S ATOM 132 CE MET A 12 11.660 23.948 -11.333 1.00 0.00 C ATOM 0 H MET A 12 16.127 26.758 -9.634 1.00 0.00 H new ATOM 0 HA MET A 12 14.000 26.793 -8.997 1.00 0.00 H new ATOM 0 HB2 MET A 12 14.289 23.927 -8.048 1.00 0.00 H new ATOM 0 HB3 MET A 12 12.834 24.733 -8.599 1.00 0.00 H new ATOM 0 HG2 MET A 12 14.133 25.001 -10.864 1.00 0.00 H new ATOM 0 HG3 MET A 12 15.172 23.741 -10.228 1.00 0.00 H new ATOM 0 HE1 MET A 12 10.846 23.320 -11.696 1.00 0.00 H new ATOM 0 HE2 MET A 12 11.291 24.598 -10.539 1.00 0.00 H new ATOM 0 HE3 MET A 12 12.042 24.557 -12.153 1.00 0.00 H new ATOM 142 N LEU A 13 13.270 26.321 -6.428 1.00 0.00 N ATOM 143 CA LEU A 13 13.068 26.589 -5.009 1.00 0.00 C ATOM 144 C LEU A 13 12.151 25.544 -4.382 1.00 0.00 C ATOM 145 O LEU A 13 11.772 24.566 -5.028 1.00 0.00 O ATOM 146 CB LEU A 13 12.477 27.986 -4.812 1.00 0.00 C ATOM 147 CG LEU A 13 13.180 28.874 -3.785 1.00 0.00 C ATOM 148 CD1 LEU A 13 14.514 29.364 -4.326 1.00 0.00 C ATOM 149 CD2 LEU A 13 12.293 30.050 -3.401 1.00 0.00 C ATOM 0 H LEU A 13 12.412 26.146 -6.950 1.00 0.00 H new ATOM 0 HA LEU A 13 14.038 26.538 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.484 28.500 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.433 27.879 -4.516 1.00 0.00 H new ATOM 0 HG LEU A 13 13.371 28.281 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.999 29.994 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.152 28.509 -4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.348 29.940 -5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.809 30.671 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.071 30.643 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.363 29.679 -2.970 1.00 0.00 H new ATOM 161 N THR A 14 11.796 25.756 -3.118 1.00 0.00 N ATOM 162 CA THR A 14 10.923 24.834 -2.404 1.00 0.00 C ATOM 163 C THR A 14 9.471 25.005 -2.836 1.00 0.00 C ATOM 164 O THR A 14 9.044 26.104 -3.191 1.00 0.00 O ATOM 165 CB THR A 14 11.020 25.035 -0.880 1.00 0.00 C ATOM 166 OG1 THR A 14 10.225 24.053 -0.205 1.00 0.00 O ATOM 167 CG2 THR A 14 10.555 26.429 -0.487 1.00 0.00 C ATOM 0 H THR A 14 12.101 26.559 -2.568 1.00 0.00 H new ATOM 0 HA THR A 14 11.257 23.827 -2.652 1.00 0.00 H new ATOM 0 HB THR A 14 12.064 24.922 -0.586 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.293 24.186 0.763 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.633 26.547 0.594 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.181 27.174 -0.979 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.518 26.567 -0.793 1.00 0.00 H new ATOM 175 N VAL A 15 8.716 23.912 -2.804 1.00 0.00 N ATOM 176 CA VAL A 15 7.311 23.941 -3.191 1.00 0.00 C ATOM 177 C VAL A 15 6.417 23.460 -2.054 1.00 0.00 C ATOM 178 O VAL A 15 6.570 22.341 -1.562 1.00 0.00 O ATOM 179 CB VAL A 15 7.053 23.072 -4.436 1.00 0.00 C ATOM 180 CG1 VAL A 15 5.613 23.223 -4.905 1.00 0.00 C ATOM 181 CG2 VAL A 15 8.025 23.433 -5.549 1.00 0.00 C ATOM 0 H VAL A 15 9.054 22.995 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 15 7.069 24.978 -3.425 1.00 0.00 H new ATOM 0 HB VAL A 15 7.215 22.028 -4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.450 22.601 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.937 22.910 -4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.420 24.266 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.828 22.809 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.898 24.482 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.047 23.267 -5.208 1.00 0.00 H new ATOM 191 N ARG A 16 5.484 24.311 -1.641 1.00 0.00 N ATOM 192 CA ARG A 16 4.565 23.972 -0.560 1.00 0.00 C ATOM 193 C ARG A 16 3.166 24.509 -0.848 1.00 0.00 C ATOM 194 O ARG A 16 2.900 25.026 -1.932 1.00 0.00 O ATOM 195 CB ARG A 16 5.077 24.535 0.767 1.00 0.00 C ATOM 196 CG ARG A 16 6.474 24.061 1.132 1.00 0.00 C ATOM 197 CD ARG A 16 6.474 22.602 1.560 1.00 0.00 C ATOM 198 NE ARG A 16 6.377 22.458 3.010 1.00 0.00 N ATOM 199 CZ ARG A 16 6.454 21.290 3.640 1.00 0.00 C ATOM 200 NH1 ARG A 16 6.629 20.172 2.950 1.00 0.00 N ATOM 201 NH2 ARG A 16 6.357 21.240 4.962 1.00 0.00 N ATOM 0 H ARG A 16 5.344 25.240 -2.038 1.00 0.00 H new ATOM 0 HA ARG A 16 4.510 22.886 -0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.074 25.624 0.715 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.387 24.252 1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.138 24.190 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.869 24.678 1.939 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.638 22.085 1.088 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.386 22.121 1.208 1.00 0.00 H new ATOM 0 HE ARG A 16 6.243 23.300 3.570 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.705 20.207 1.933 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.688 19.277 3.436 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.223 22.098 5.496 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.416 20.343 5.444 1.00 0.00 H new ATOM 215 N ALA A 17 2.277 24.382 0.131 1.00 0.00 N ATOM 216 CA ALA A 17 0.906 24.855 -0.015 1.00 0.00 C ATOM 217 C ALA A 17 0.179 24.097 -1.121 1.00 0.00 C ATOM 218 O ALA A 17 0.759 23.235 -1.782 1.00 0.00 O ATOM 219 CB ALA A 17 0.892 26.350 -0.300 1.00 0.00 C ATOM 0 H ALA A 17 2.482 23.955 1.035 1.00 0.00 H new ATOM 0 HA ALA A 17 0.381 24.669 0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.138 26.690 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.366 26.882 0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.438 26.550 -1.222 1.00 0.00 H new ATOM 225 N LEU A 18 -1.094 24.423 -1.316 1.00 0.00 N ATOM 226 CA LEU A 18 -1.902 23.771 -2.342 1.00 0.00 C ATOM 227 C LEU A 18 -2.051 22.281 -2.052 1.00 0.00 C ATOM 228 O LEU A 18 -1.278 21.689 -1.300 1.00 0.00 O ATOM 229 CB LEU A 18 -1.271 23.974 -3.720 1.00 0.00 C ATOM 230 CG LEU A 18 -1.979 24.966 -4.643 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.477 26.380 -4.394 1.00 0.00 C ATOM 232 CD2 LEU A 18 -1.778 24.576 -6.101 1.00 0.00 C ATOM 0 H LEU A 18 -1.589 25.134 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.893 24.225 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.243 24.308 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.227 23.008 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.046 24.938 -4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.993 27.072 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.674 26.659 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.405 26.424 -4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.289 25.293 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.713 24.575 -6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.188 23.580 -6.271 1.00 0.00 H new ATOM 244 N PRO A 19 -3.069 21.659 -2.665 1.00 0.00 N ATOM 245 CA PRO A 19 -3.343 20.229 -2.491 1.00 0.00 C ATOM 246 C PRO A 19 -2.282 19.352 -3.147 1.00 0.00 C ATOM 247 O PRO A 19 -1.252 19.846 -3.607 1.00 0.00 O ATOM 248 CB PRO A 19 -4.695 20.040 -3.182 1.00 0.00 C ATOM 249 CG PRO A 19 -4.766 21.140 -4.184 1.00 0.00 C ATOM 250 CD PRO A 19 -4.031 22.302 -3.576 1.00 0.00 C ATOM 0 HA PRO A 19 -3.342 19.939 -1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.761 19.063 -3.661 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.516 20.101 -2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.309 20.839 -5.127 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.801 21.404 -4.401 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.527 22.900 -4.335 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.707 22.969 -3.041 1.00 0.00 H new ATOM 258 N ILE A 20 -2.540 18.049 -3.188 1.00 0.00 N ATOM 259 CA ILE A 20 -1.608 17.104 -3.790 1.00 0.00 C ATOM 260 C ILE A 20 -2.343 16.069 -4.634 1.00 0.00 C ATOM 261 O ILE A 20 -3.452 15.653 -4.300 1.00 0.00 O ATOM 262 CB ILE A 20 -0.773 16.378 -2.719 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.030 17.391 -1.846 1.00 0.00 C ATOM 264 CG2 ILE A 20 0.207 15.416 -3.374 1.00 0.00 C ATOM 265 CD1 ILE A 20 0.687 16.766 -0.670 1.00 0.00 C ATOM 0 H ILE A 20 -3.387 17.624 -2.811 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.941 17.682 -4.429 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.446 15.804 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.695 17.925 -2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.741 18.130 -1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.790 14.910 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.343 14.677 -3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.877 15.970 -4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.191 17.544 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.035 16.256 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.422 16.048 -1.032 1.00 0.00 H new ATOM 277 N LYS A 21 -1.716 15.654 -5.730 1.00 0.00 N ATOM 278 CA LYS A 21 -2.308 14.664 -6.622 1.00 0.00 C ATOM 279 C LYS A 21 -1.306 13.563 -6.954 1.00 0.00 C ATOM 280 O LYS A 21 -0.198 13.536 -6.418 1.00 0.00 O ATOM 281 CB LYS A 21 -2.793 15.333 -7.910 1.00 0.00 C ATOM 282 CG LYS A 21 -1.670 15.914 -8.753 1.00 0.00 C ATOM 283 CD LYS A 21 -2.015 17.305 -9.258 1.00 0.00 C ATOM 284 CE LYS A 21 -1.058 17.754 -10.352 1.00 0.00 C ATOM 285 NZ LYS A 21 -0.447 19.077 -10.046 1.00 0.00 N ATOM 0 H LYS A 21 -0.798 15.988 -6.022 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.159 14.214 -6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.342 14.603 -8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.494 16.128 -7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.755 15.957 -8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.472 15.257 -9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.036 17.312 -9.641 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.981 18.013 -8.430 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.271 17.010 -10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.592 17.811 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.199 19.348 -10.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.196 19.793 -9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.084 19.016 -9.154 1.00 0.00 H new ATOM 299 N PHE A 22 -1.701 12.658 -7.843 1.00 0.00 N ATOM 300 CA PHE A 22 -0.837 11.555 -8.247 1.00 0.00 C ATOM 301 C PHE A 22 -0.239 11.810 -9.627 1.00 0.00 C ATOM 302 O PHE A 22 -0.952 12.148 -10.574 1.00 0.00 O ATOM 303 CB PHE A 22 -1.621 10.241 -8.254 1.00 0.00 C ATOM 304 CG PHE A 22 -1.619 9.536 -6.927 1.00 0.00 C ATOM 305 CD1 PHE A 22 -0.522 8.791 -6.525 1.00 0.00 C ATOM 306 CD2 PHE A 22 -2.716 9.617 -6.084 1.00 0.00 C ATOM 307 CE1 PHE A 22 -0.518 8.141 -5.305 1.00 0.00 C ATOM 308 CE2 PHE A 22 -2.716 8.969 -4.863 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.617 8.230 -4.473 1.00 0.00 C ATOM 0 H PHE A 22 -2.614 12.667 -8.298 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.023 11.481 -7.525 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.651 10.443 -8.548 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.198 9.579 -9.009 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.340 8.717 -7.172 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.579 10.192 -6.384 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.344 7.564 -5.003 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.576 9.041 -4.214 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.617 7.723 -3.520 1.00 0.00 H new ATOM 319 N THR A 23 1.076 11.648 -9.736 1.00 0.00 N ATOM 320 CA THR A 23 1.771 11.862 -10.998 1.00 0.00 C ATOM 321 C THR A 23 1.982 10.547 -11.740 1.00 0.00 C ATOM 322 O THR A 23 1.916 10.499 -12.968 1.00 0.00 O ATOM 323 CB THR A 23 3.137 12.540 -10.780 1.00 0.00 C ATOM 324 OG1 THR A 23 3.967 11.715 -9.955 1.00 0.00 O ATOM 325 CG2 THR A 23 2.966 13.905 -10.131 1.00 0.00 C ATOM 0 H THR A 23 1.681 11.369 -8.964 1.00 0.00 H new ATOM 0 HA THR A 23 1.140 12.518 -11.598 1.00 0.00 H new ATOM 0 HB THR A 23 3.611 12.674 -11.753 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.868 11.672 -10.337 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.944 14.364 -9.987 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.358 14.540 -10.775 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.474 13.790 -9.165 1.00 0.00 H new ATOM 333 N GLU A 24 2.236 9.482 -10.986 1.00 0.00 N ATOM 334 CA GLU A 24 2.457 8.166 -11.574 1.00 0.00 C ATOM 335 C GLU A 24 1.768 7.080 -10.751 1.00 0.00 C ATOM 336 O GLU A 24 2.381 6.464 -9.880 1.00 0.00 O ATOM 337 CB GLU A 24 3.955 7.872 -11.674 1.00 0.00 C ATOM 338 CG GLU A 24 4.627 8.532 -12.866 1.00 0.00 C ATOM 339 CD GLU A 24 5.550 7.588 -13.612 1.00 0.00 C ATOM 340 OE1 GLU A 24 6.611 7.234 -13.057 1.00 0.00 O ATOM 341 OE2 GLU A 24 5.210 7.203 -14.750 1.00 0.00 O ATOM 0 H GLU A 24 2.294 9.505 -9.968 1.00 0.00 H new ATOM 0 HA GLU A 24 2.027 8.167 -12.576 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.444 8.208 -10.760 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.102 6.794 -11.736 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.863 8.903 -13.549 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.196 9.397 -12.525 1.00 0.00 H new ATOM 348 N GLY A 25 0.489 6.852 -11.035 1.00 0.00 N ATOM 349 CA GLY A 25 -0.262 5.842 -10.314 1.00 0.00 C ATOM 350 C GLY A 25 0.343 4.460 -10.453 1.00 0.00 C ATOM 351 O GLY A 25 1.205 4.234 -11.303 1.00 0.00 O ATOM 0 H GLY A 25 -0.040 7.349 -11.752 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.306 6.111 -9.259 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.288 5.825 -10.682 1.00 0.00 H new ATOM 355 N LEU A 26 -0.106 3.532 -9.615 1.00 0.00 N ATOM 356 CA LEU A 26 0.398 2.163 -9.646 1.00 0.00 C ATOM 357 C LEU A 26 0.269 1.568 -11.045 1.00 0.00 C ATOM 358 O LEU A 26 -0.387 2.139 -11.916 1.00 0.00 O ATOM 359 CB LEU A 26 -0.359 1.296 -8.639 1.00 0.00 C ATOM 360 CG LEU A 26 -0.134 1.630 -7.164 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.200 0.975 -6.300 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.255 1.192 -6.723 1.00 0.00 C ATOM 0 H LEU A 26 -0.818 3.703 -8.905 1.00 0.00 H new ATOM 0 HA LEU A 26 1.454 2.184 -9.375 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.425 1.376 -8.850 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.078 0.255 -8.802 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.208 2.710 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.024 1.224 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.184 1.338 -6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.158 -0.107 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.397 1.438 -5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.358 0.116 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.006 1.708 -7.321 1.00 0.00 H new ATOM 374 N ARG A 27 0.898 0.415 -11.252 1.00 0.00 N ATOM 375 CA ARG A 27 0.853 -0.258 -12.544 1.00 0.00 C ATOM 376 C ARG A 27 0.750 -1.770 -12.366 1.00 0.00 C ATOM 377 O ARG A 27 1.383 -2.345 -11.481 1.00 0.00 O ATOM 378 CB ARG A 27 2.096 0.086 -13.366 1.00 0.00 C ATOM 379 CG ARG A 27 3.363 -0.591 -12.868 1.00 0.00 C ATOM 380 CD ARG A 27 4.570 -0.199 -13.704 1.00 0.00 C ATOM 381 NE ARG A 27 5.354 -1.361 -14.113 1.00 0.00 N ATOM 382 CZ ARG A 27 4.960 -2.224 -15.043 1.00 0.00 C ATOM 383 NH1 ARG A 27 3.797 -2.055 -15.658 1.00 0.00 N ATOM 384 NH2 ARG A 27 5.729 -3.257 -15.360 1.00 0.00 N ATOM 0 H ARG A 27 1.444 -0.072 -10.541 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.033 0.089 -13.076 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.925 -0.200 -14.404 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.242 1.166 -13.353 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.537 -0.319 -11.827 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.234 -1.673 -12.898 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.237 0.343 -14.589 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.201 0.481 -13.132 1.00 0.00 H new ATOM 0 HE ARG A 27 6.254 -1.519 -13.660 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.203 -1.261 -15.417 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.496 -2.719 -16.372 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.624 -3.390 -14.890 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.425 -3.919 -16.074 1.00 0.00 H new ATOM 398 N ASN A 28 -0.052 -2.407 -13.212 1.00 0.00 N ATOM 399 CA ASN A 28 -0.239 -3.852 -13.147 1.00 0.00 C ATOM 400 C ASN A 28 1.104 -4.576 -13.179 1.00 0.00 C ATOM 401 O ASN A 28 1.880 -4.422 -14.121 1.00 0.00 O ATOM 402 CB ASN A 28 -1.115 -4.327 -14.308 1.00 0.00 C ATOM 403 CG ASN A 28 -2.483 -3.673 -14.305 1.00 0.00 C ATOM 404 OD1 ASN A 28 -2.793 -2.861 -13.434 1.00 0.00 O ATOM 405 ND2 ASN A 28 -3.309 -4.026 -15.283 1.00 0.00 N ATOM 0 H ASN A 28 -0.583 -1.946 -13.951 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.736 -4.087 -12.206 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.613 -4.109 -15.251 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.232 -5.409 -14.252 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.243 -3.620 -15.333 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.009 -4.703 -15.984 1.00 0.00 H new ATOM 412 N GLU A 29 1.369 -5.367 -12.143 1.00 0.00 N ATOM 413 CA GLU A 29 2.618 -6.114 -12.053 1.00 0.00 C ATOM 414 C GLU A 29 2.354 -7.617 -12.058 1.00 0.00 C ATOM 415 O GLU A 29 1.216 -8.058 -11.896 1.00 0.00 O ATOM 416 CB GLU A 29 3.381 -5.723 -10.786 1.00 0.00 C ATOM 417 CG GLU A 29 4.717 -5.054 -11.063 1.00 0.00 C ATOM 418 CD GLU A 29 5.785 -6.041 -11.494 1.00 0.00 C ATOM 419 OE1 GLU A 29 6.141 -6.922 -10.684 1.00 0.00 O ATOM 420 OE2 GLU A 29 6.265 -5.930 -12.642 1.00 0.00 O ATOM 0 H GLU A 29 0.736 -5.507 -11.356 1.00 0.00 H new ATOM 0 HA GLU A 29 3.224 -5.866 -12.924 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.763 -5.049 -10.193 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.549 -6.615 -10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.588 -4.301 -11.841 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.051 -4.532 -10.166 1.00 0.00 H new ATOM 427 N GLU A 30 3.413 -8.397 -12.246 1.00 0.00 N ATOM 428 CA GLU A 30 3.296 -9.851 -12.274 1.00 0.00 C ATOM 429 C GLU A 30 4.575 -10.510 -11.766 1.00 0.00 C ATOM 430 O GLU A 30 5.664 -10.252 -12.278 1.00 0.00 O ATOM 431 CB GLU A 30 2.990 -10.333 -13.694 1.00 0.00 C ATOM 432 CG GLU A 30 2.941 -11.846 -13.825 1.00 0.00 C ATOM 433 CD GLU A 30 2.024 -12.305 -14.943 1.00 0.00 C ATOM 434 OE1 GLU A 30 1.780 -11.510 -15.875 1.00 0.00 O ATOM 435 OE2 GLU A 30 1.552 -13.459 -14.885 1.00 0.00 O ATOM 0 H GLU A 30 4.362 -8.047 -12.381 1.00 0.00 H new ATOM 0 HA GLU A 30 2.475 -10.136 -11.616 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.033 -9.918 -14.011 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.748 -9.942 -14.373 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.947 -12.224 -14.007 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.604 -12.278 -12.883 1.00 0.00 H new ATOM 442 N ALA A 31 4.433 -11.361 -10.755 1.00 0.00 N ATOM 443 CA ALA A 31 5.576 -12.058 -10.178 1.00 0.00 C ATOM 444 C ALA A 31 5.328 -13.561 -10.118 1.00 0.00 C ATOM 445 O ALA A 31 4.220 -14.030 -10.378 1.00 0.00 O ATOM 446 CB ALA A 31 5.880 -11.515 -8.790 1.00 0.00 C ATOM 0 H ALA A 31 3.538 -11.584 -10.319 1.00 0.00 H new ATOM 0 HA ALA A 31 6.439 -11.884 -10.821 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.736 -12.045 -8.371 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.109 -10.452 -8.858 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.013 -11.659 -8.145 1.00 0.00 H new ATOM 452 N THR A 32 6.368 -14.314 -9.773 1.00 0.00 N ATOM 453 CA THR A 32 6.264 -15.765 -9.681 1.00 0.00 C ATOM 454 C THR A 32 6.261 -16.225 -8.227 1.00 0.00 C ATOM 455 O THR A 32 6.768 -15.531 -7.347 1.00 0.00 O ATOM 456 CB THR A 32 7.420 -16.460 -10.424 1.00 0.00 C ATOM 457 OG1 THR A 32 7.626 -15.840 -11.699 1.00 0.00 O ATOM 458 CG2 THR A 32 7.128 -17.941 -10.616 1.00 0.00 C ATOM 0 H THR A 32 7.292 -13.943 -9.553 1.00 0.00 H new ATOM 0 HA THR A 32 5.321 -16.044 -10.150 1.00 0.00 H new ATOM 0 HB THR A 32 8.322 -16.359 -9.821 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.364 -16.287 -12.164 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.959 -18.410 -11.143 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.001 -18.416 -9.643 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.215 -18.059 -11.200 1.00 0.00 H new ATOM 466 N GLU A 33 5.687 -17.399 -7.983 1.00 0.00 N ATOM 467 CA GLU A 33 5.619 -17.950 -6.635 1.00 0.00 C ATOM 468 C GLU A 33 7.014 -18.086 -6.032 1.00 0.00 C ATOM 469 O GLU A 33 7.926 -18.617 -6.664 1.00 0.00 O ATOM 470 CB GLU A 33 4.922 -19.312 -6.652 1.00 0.00 C ATOM 471 CG GLU A 33 3.646 -19.354 -5.828 1.00 0.00 C ATOM 472 CD GLU A 33 3.172 -20.768 -5.557 1.00 0.00 C ATOM 473 OE1 GLU A 33 2.947 -21.514 -6.533 1.00 0.00 O ATOM 474 OE2 GLU A 33 3.027 -21.129 -4.371 1.00 0.00 O ATOM 0 H GLU A 33 5.263 -17.986 -8.701 1.00 0.00 H new ATOM 0 HA GLU A 33 5.041 -17.263 -6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.688 -19.578 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.612 -20.068 -6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.814 -18.843 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.862 -18.806 -6.351 1.00 0.00 H new ATOM 481 N GLY A 34 7.171 -17.602 -4.804 1.00 0.00 N ATOM 482 CA GLY A 34 8.457 -17.678 -4.135 1.00 0.00 C ATOM 483 C GLY A 34 9.295 -16.433 -4.347 1.00 0.00 C ATOM 484 O GLY A 34 10.223 -16.165 -3.584 1.00 0.00 O ATOM 0 H GLY A 34 6.431 -17.159 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.299 -17.829 -3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.003 -18.547 -4.502 1.00 0.00 H new ATOM 488 N ALA A 35 8.970 -15.672 -5.386 1.00 0.00 N ATOM 489 CA ALA A 35 9.700 -14.449 -5.696 1.00 0.00 C ATOM 490 C ALA A 35 9.274 -13.309 -4.777 1.00 0.00 C ATOM 491 O ALA A 35 8.536 -13.516 -3.813 1.00 0.00 O ATOM 492 CB ALA A 35 9.489 -14.063 -7.152 1.00 0.00 C ATOM 0 H ALA A 35 8.205 -15.881 -6.028 1.00 0.00 H new ATOM 0 HA ALA A 35 10.761 -14.636 -5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.040 -13.148 -7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.849 -14.865 -7.797 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.427 -13.899 -7.335 1.00 0.00 H new ATOM 498 N THR A 36 9.745 -12.103 -5.080 1.00 0.00 N ATOM 499 CA THR A 36 9.415 -10.930 -4.281 1.00 0.00 C ATOM 500 C THR A 36 8.836 -9.819 -5.148 1.00 0.00 C ATOM 501 O THR A 36 9.458 -9.389 -6.120 1.00 0.00 O ATOM 502 CB THR A 36 10.652 -10.393 -3.535 1.00 0.00 C ATOM 503 OG1 THR A 36 11.207 -11.418 -2.704 1.00 0.00 O ATOM 504 CG2 THR A 36 10.288 -9.185 -2.685 1.00 0.00 C ATOM 0 H THR A 36 10.357 -11.914 -5.874 1.00 0.00 H new ATOM 0 HA THR A 36 8.668 -11.244 -3.552 1.00 0.00 H new ATOM 0 HB THR A 36 11.391 -10.087 -4.275 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.993 -11.069 -2.235 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.177 -8.823 -2.168 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.894 -8.395 -3.325 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.533 -9.470 -1.953 1.00 0.00 H new ATOM 512 N ALA A 37 7.643 -9.356 -4.791 1.00 0.00 N ATOM 513 CA ALA A 37 6.981 -8.292 -5.536 1.00 0.00 C ATOM 514 C ALA A 37 7.217 -6.935 -4.881 1.00 0.00 C ATOM 515 O ALA A 37 7.276 -6.828 -3.656 1.00 0.00 O ATOM 516 CB ALA A 37 5.491 -8.574 -5.648 1.00 0.00 C ATOM 0 H ALA A 37 7.115 -9.701 -3.990 1.00 0.00 H new ATOM 0 HA ALA A 37 7.410 -8.262 -6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.010 -7.771 -6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.338 -9.520 -6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.056 -8.633 -4.650 1.00 0.00 H new ATOM 522 N VAL A 38 7.351 -5.901 -5.704 1.00 0.00 N ATOM 523 CA VAL A 38 7.580 -4.550 -5.205 1.00 0.00 C ATOM 524 C VAL A 38 6.812 -3.522 -6.029 1.00 0.00 C ATOM 525 O VAL A 38 7.098 -3.317 -7.209 1.00 0.00 O ATOM 526 CB VAL A 38 9.078 -4.191 -5.223 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.314 -2.851 -4.542 1.00 0.00 C ATOM 528 CG2 VAL A 38 9.896 -5.288 -4.558 1.00 0.00 C ATOM 0 H VAL A 38 7.305 -5.973 -6.720 1.00 0.00 H new ATOM 0 HA VAL A 38 7.221 -4.528 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 38 9.402 -4.106 -6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.378 -2.614 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.758 -2.074 -5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.976 -2.904 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.952 -5.018 -4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.573 -5.407 -3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.750 -6.226 -5.094 1.00 0.00 H new ATOM 538 N LEU A 39 5.836 -2.877 -5.399 1.00 0.00 N ATOM 539 CA LEU A 39 5.026 -1.868 -6.073 1.00 0.00 C ATOM 540 C LEU A 39 5.418 -0.465 -5.623 1.00 0.00 C ATOM 541 O LEU A 39 5.344 -0.139 -4.438 1.00 0.00 O ATOM 542 CB LEU A 39 3.541 -2.109 -5.796 1.00 0.00 C ATOM 543 CG LEU A 39 2.959 -3.413 -6.343 1.00 0.00 C ATOM 544 CD1 LEU A 39 2.009 -4.039 -5.333 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.248 -3.166 -7.665 1.00 0.00 C ATOM 0 H LEU A 39 5.586 -3.035 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 39 5.207 -1.949 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.385 -2.089 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.974 -1.278 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 39 3.779 -4.109 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.605 -4.966 -5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.548 -4.252 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.192 -3.348 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.840 -4.105 -8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.438 -2.453 -7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.956 -2.763 -8.389 1.00 0.00 H new ATOM 557 N ARG A 40 5.833 0.363 -6.576 1.00 0.00 N ATOM 558 CA ARG A 40 6.236 1.732 -6.278 1.00 0.00 C ATOM 559 C ARG A 40 5.356 2.732 -7.022 1.00 0.00 C ATOM 560 O ARG A 40 4.828 2.432 -8.094 1.00 0.00 O ATOM 561 CB ARG A 40 7.703 1.948 -6.653 1.00 0.00 C ATOM 562 CG ARG A 40 8.638 0.890 -6.091 1.00 0.00 C ATOM 563 CD ARG A 40 10.072 1.392 -6.025 1.00 0.00 C ATOM 564 NE ARG A 40 10.877 0.899 -7.140 1.00 0.00 N ATOM 565 CZ ARG A 40 12.034 1.438 -7.505 1.00 0.00 C ATOM 566 NH1 ARG A 40 12.521 2.482 -6.847 1.00 0.00 N ATOM 567 NH2 ARG A 40 12.708 0.933 -8.531 1.00 0.00 N ATOM 0 H ARG A 40 5.899 0.109 -7.562 1.00 0.00 H new ATOM 0 HA ARG A 40 6.115 1.895 -5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.793 1.960 -7.739 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.020 2.928 -6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.306 0.602 -5.094 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.593 -0.004 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.075 2.482 -6.030 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.524 1.076 -5.085 1.00 0.00 H new ATOM 0 HE ARG A 40 10.531 0.097 -7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.006 2.873 -6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.410 2.894 -7.130 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.337 0.130 -9.039 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.597 1.348 -8.811 1.00 0.00 H new ATOM 581 N CYS A 41 5.203 3.919 -6.447 1.00 0.00 N ATOM 582 CA CYS A 41 4.386 4.964 -7.056 1.00 0.00 C ATOM 583 C CYS A 41 4.961 6.345 -6.760 1.00 0.00 C ATOM 584 O CYS A 41 5.605 6.553 -5.733 1.00 0.00 O ATOM 585 CB CYS A 41 2.947 4.877 -6.545 1.00 0.00 C ATOM 586 SG CYS A 41 2.746 5.372 -4.817 1.00 0.00 S ATOM 0 H CYS A 41 5.633 4.183 -5.561 1.00 0.00 H new ATOM 0 HA CYS A 41 4.391 4.812 -8.135 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.313 5.507 -7.168 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.592 3.853 -6.662 1.00 0.00 H new ATOM 0 HG CYS A 41 3.846 5.918 -4.391 1.00 0.00 H new ATOM 592 N GLU A 42 4.725 7.285 -7.670 1.00 0.00 N ATOM 593 CA GLU A 42 5.222 8.647 -7.507 1.00 0.00 C ATOM 594 C GLU A 42 4.080 9.609 -7.195 1.00 0.00 C ATOM 595 O GLU A 42 2.976 9.472 -7.723 1.00 0.00 O ATOM 596 CB GLU A 42 5.955 9.100 -8.771 1.00 0.00 C ATOM 597 CG GLU A 42 7.035 10.137 -8.510 1.00 0.00 C ATOM 598 CD GLU A 42 7.480 10.847 -9.774 1.00 0.00 C ATOM 599 OE1 GLU A 42 6.605 11.255 -10.565 1.00 0.00 O ATOM 600 OE2 GLU A 42 8.704 10.994 -9.971 1.00 0.00 O ATOM 0 H GLU A 42 4.194 7.129 -8.527 1.00 0.00 H new ATOM 0 HA GLU A 42 5.919 8.655 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.406 8.231 -9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.230 9.512 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.663 10.872 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.895 9.652 -8.048 1.00 0.00 H new ATOM 607 N LEU A 43 4.354 10.583 -6.335 1.00 0.00 N ATOM 608 CA LEU A 43 3.350 11.570 -5.951 1.00 0.00 C ATOM 609 C LEU A 43 3.781 12.974 -6.362 1.00 0.00 C ATOM 610 O LEU A 43 4.869 13.166 -6.906 1.00 0.00 O ATOM 611 CB LEU A 43 3.108 11.520 -4.442 1.00 0.00 C ATOM 612 CG LEU A 43 2.077 10.498 -3.960 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.399 10.040 -2.547 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.674 11.084 -4.027 1.00 0.00 C ATOM 0 H LEU A 43 5.263 10.711 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 43 2.422 11.328 -6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.057 11.309 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.791 12.509 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 43 2.119 9.630 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.655 9.313 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.387 9.580 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.387 10.898 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.047 10.343 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.619 11.969 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.444 11.360 -5.056 1.00 0.00 H new ATOM 626 N SER A 44 2.923 13.953 -6.097 1.00 0.00 N ATOM 627 CA SER A 44 3.214 15.340 -6.440 1.00 0.00 C ATOM 628 C SER A 44 4.126 15.978 -5.397 1.00 0.00 C ATOM 629 O SER A 44 4.971 16.813 -5.720 1.00 0.00 O ATOM 630 CB SER A 44 1.916 16.142 -6.559 1.00 0.00 C ATOM 631 OG SER A 44 1.927 16.960 -7.716 1.00 0.00 O ATOM 0 H SER A 44 2.019 13.811 -5.645 1.00 0.00 H new ATOM 0 HA SER A 44 3.728 15.350 -7.401 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.066 15.461 -6.599 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.785 16.762 -5.672 1.00 0.00 H new ATOM 0 HG SER A 44 1.086 17.461 -7.770 1.00 0.00 H new ATOM 637 N LYS A 45 3.948 15.579 -4.142 1.00 0.00 N ATOM 638 CA LYS A 45 4.753 16.110 -3.048 1.00 0.00 C ATOM 639 C LYS A 45 4.856 15.100 -1.909 1.00 0.00 C ATOM 640 O LYS A 45 3.988 14.244 -1.746 1.00 0.00 O ATOM 641 CB LYS A 45 4.151 17.418 -2.532 1.00 0.00 C ATOM 642 CG LYS A 45 4.854 18.659 -3.054 1.00 0.00 C ATOM 643 CD LYS A 45 4.393 19.910 -2.325 1.00 0.00 C ATOM 644 CE LYS A 45 2.920 20.193 -2.580 1.00 0.00 C ATOM 645 NZ LYS A 45 2.696 21.588 -3.049 1.00 0.00 N ATOM 0 H LYS A 45 3.253 14.889 -3.857 1.00 0.00 H new ATOM 0 HA LYS A 45 5.755 16.305 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.099 17.461 -2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.189 17.421 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.932 18.544 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.660 18.766 -4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.562 19.792 -1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.990 20.762 -2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.540 19.494 -3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.354 20.022 -1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.812 21.953 -2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.490 22.188 -2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.629 21.599 -4.087 1.00 0.00 H new ATOM 659 N MET A 46 5.922 15.209 -1.123 1.00 0.00 N ATOM 660 CA MET A 46 6.136 14.307 0.002 1.00 0.00 C ATOM 661 C MET A 46 4.955 14.352 0.967 1.00 0.00 C ATOM 662 O MET A 46 4.688 15.380 1.587 1.00 0.00 O ATOM 663 CB MET A 46 7.426 14.673 0.739 1.00 0.00 C ATOM 664 CG MET A 46 7.710 13.790 1.944 1.00 0.00 C ATOM 665 SD MET A 46 9.324 14.114 2.678 1.00 0.00 S ATOM 666 CE MET A 46 9.037 15.712 3.435 1.00 0.00 C ATOM 0 H MET A 46 6.650 15.913 -1.244 1.00 0.00 H new ATOM 0 HA MET A 46 6.225 13.293 -0.389 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.263 14.606 0.044 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.366 15.711 1.066 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.936 13.947 2.695 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.655 12.744 1.644 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.896 15.984 4.048 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.895 16.463 2.658 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.145 15.664 4.060 1.00 0.00 H new ATOM 676 N ALA A 47 4.253 13.230 1.088 1.00 0.00 N ATOM 677 CA ALA A 47 3.102 13.142 1.979 1.00 0.00 C ATOM 678 C ALA A 47 2.825 11.696 2.376 1.00 0.00 C ATOM 679 O ALA A 47 3.263 10.752 1.719 1.00 0.00 O ATOM 680 CB ALA A 47 1.876 13.754 1.318 1.00 0.00 C ATOM 0 H ALA A 47 4.461 12.370 0.581 1.00 0.00 H new ATOM 0 HA ALA A 47 3.331 13.703 2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.024 13.682 1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.070 14.802 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.654 13.217 0.396 1.00 0.00 H new ATOM 686 N PRO A 48 2.081 11.517 3.478 1.00 0.00 N ATOM 687 CA PRO A 48 1.730 10.188 3.988 1.00 0.00 C ATOM 688 C PRO A 48 0.740 9.463 3.082 1.00 0.00 C ATOM 689 O PRO A 48 -0.144 10.082 2.490 1.00 0.00 O ATOM 690 CB PRO A 48 1.091 10.487 5.347 1.00 0.00 C ATOM 691 CG PRO A 48 0.571 11.878 5.223 1.00 0.00 C ATOM 692 CD PRO A 48 1.526 12.597 4.310 1.00 0.00 C ATOM 0 HA PRO A 48 2.598 9.531 4.045 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.289 9.783 5.571 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.820 10.407 6.153 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.439 11.882 4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.521 12.364 6.197 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.016 13.348 3.706 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.305 13.114 4.870 1.00 0.00 H new ATOM 700 N VAL A 49 0.893 8.146 2.980 1.00 0.00 N ATOM 701 CA VAL A 49 0.012 7.337 2.148 1.00 0.00 C ATOM 702 C VAL A 49 -0.540 6.148 2.926 1.00 0.00 C ATOM 703 O VAL A 49 -0.117 5.880 4.050 1.00 0.00 O ATOM 704 CB VAL A 49 0.742 6.821 0.893 1.00 0.00 C ATOM 705 CG1 VAL A 49 1.060 7.970 -0.050 1.00 0.00 C ATOM 706 CG2 VAL A 49 2.008 6.074 1.284 1.00 0.00 C ATOM 0 H VAL A 49 1.619 7.618 3.464 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.812 7.981 1.841 1.00 0.00 H new ATOM 0 HB VAL A 49 0.084 6.126 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.575 7.586 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.134 8.457 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.699 8.692 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.511 5.716 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.672 6.744 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.749 5.225 1.917 1.00 0.00 H new ATOM 716 N GLU A 50 -1.486 5.438 2.320 1.00 0.00 N ATOM 717 CA GLU A 50 -2.096 4.277 2.958 1.00 0.00 C ATOM 718 C GLU A 50 -2.465 3.218 1.922 1.00 0.00 C ATOM 719 O GLU A 50 -3.260 3.471 1.017 1.00 0.00 O ATOM 720 CB GLU A 50 -3.341 4.694 3.743 1.00 0.00 C ATOM 721 CG GLU A 50 -3.042 5.608 4.919 1.00 0.00 C ATOM 722 CD GLU A 50 -3.110 7.077 4.548 1.00 0.00 C ATOM 723 OE1 GLU A 50 -4.124 7.492 3.950 1.00 0.00 O ATOM 724 OE2 GLU A 50 -2.148 7.811 4.856 1.00 0.00 O ATOM 0 H GLU A 50 -1.847 5.646 1.389 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.368 3.849 3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.033 5.198 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.846 3.800 4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.752 5.406 5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.049 5.381 5.308 1.00 0.00 H new ATOM 731 N TRP A 51 -1.882 2.034 2.063 1.00 0.00 N ATOM 732 CA TRP A 51 -2.148 0.936 1.139 1.00 0.00 C ATOM 733 C TRP A 51 -3.285 0.058 1.651 1.00 0.00 C ATOM 734 O TRP A 51 -3.308 -0.322 2.821 1.00 0.00 O ATOM 735 CB TRP A 51 -0.887 0.094 0.938 1.00 0.00 C ATOM 736 CG TRP A 51 0.277 0.882 0.418 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.056 1.755 1.123 1.00 0.00 C ATOM 738 CD2 TRP A 51 0.791 0.871 -0.918 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.024 2.286 0.306 1.00 0.00 N ATOM 740 CE2 TRP A 51 1.884 1.760 -0.951 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.437 0.196 -2.088 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.621 1.989 -2.109 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.170 0.425 -3.237 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.252 1.314 -3.241 1.00 0.00 C ATOM 0 H TRP A 51 -1.222 1.809 2.807 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.447 1.363 0.182 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.611 -0.365 1.887 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.107 -0.717 0.243 1.00 0.00 H new ATOM 0 HD1 TRP A 51 0.929 1.993 2.169 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.733 2.963 0.589 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.395 -0.493 -2.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.455 2.675 -2.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.904 -0.091 -4.148 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.806 1.470 -4.155 1.00 0.00 H new ATOM 755 N TRP A 52 -4.224 -0.260 0.768 1.00 0.00 N ATOM 756 CA TRP A 52 -5.364 -1.094 1.131 1.00 0.00 C ATOM 757 C TRP A 52 -5.518 -2.259 0.159 1.00 0.00 C ATOM 758 O TRP A 52 -5.114 -2.171 -1.000 1.00 0.00 O ATOM 759 CB TRP A 52 -6.646 -0.260 1.155 1.00 0.00 C ATOM 760 CG TRP A 52 -6.630 0.825 2.188 1.00 0.00 C ATOM 761 CD1 TRP A 52 -5.842 1.941 2.193 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.436 0.896 3.369 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.111 2.701 3.305 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.086 2.083 4.042 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.422 0.075 3.922 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -7.686 2.464 5.239 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.017 0.455 5.110 1.00 0.00 C ATOM 768 CH2 TRP A 52 -8.648 1.641 5.758 1.00 0.00 C ATOM 0 H TRP A 52 -4.219 0.047 -0.205 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.184 -1.498 2.127 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.799 0.186 0.172 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.495 -0.917 1.342 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.115 2.189 1.434 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -5.658 3.583 3.543 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.714 -0.841 3.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.402 3.377 5.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -9.780 -0.173 5.546 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.132 1.911 6.685 1.00 0.00 H new ATOM 779 N LYS A 53 -6.105 -3.350 0.639 1.00 0.00 N ATOM 780 CA LYS A 53 -6.315 -4.533 -0.188 1.00 0.00 C ATOM 781 C LYS A 53 -7.679 -5.156 0.090 1.00 0.00 C ATOM 782 O LYS A 53 -7.846 -5.901 1.055 1.00 0.00 O ATOM 783 CB LYS A 53 -5.210 -5.561 0.067 1.00 0.00 C ATOM 784 CG LYS A 53 -4.898 -6.430 -1.138 1.00 0.00 C ATOM 785 CD LYS A 53 -4.022 -7.613 -0.761 1.00 0.00 C ATOM 786 CE LYS A 53 -4.469 -8.884 -1.466 1.00 0.00 C ATOM 787 NZ LYS A 53 -5.743 -9.411 -0.905 1.00 0.00 N ATOM 0 H LYS A 53 -6.444 -3.440 1.597 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.283 -4.226 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.303 -5.039 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.505 -6.200 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.828 -6.790 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.396 -5.832 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.986 -7.397 -1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.056 -7.763 0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.596 -8.684 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.691 -9.642 -1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.900 -10.379 -1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.688 -9.419 0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.532 -8.804 -1.205 1.00 0.00 H new ATOM 801 N GLY A 54 -8.651 -4.847 -0.763 1.00 0.00 N ATOM 802 CA GLY A 54 -9.987 -5.387 -0.592 1.00 0.00 C ATOM 803 C GLY A 54 -10.684 -4.833 0.635 1.00 0.00 C ATOM 804 O GLY A 54 -11.121 -5.588 1.504 1.00 0.00 O ATOM 0 H GLY A 54 -8.537 -4.233 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.582 -5.162 -1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.929 -6.473 -0.514 1.00 0.00 H new ATOM 808 N HIS A 55 -10.787 -3.510 0.708 1.00 0.00 N ATOM 809 CA HIS A 55 -11.434 -2.854 1.839 1.00 0.00 C ATOM 810 C HIS A 55 -10.762 -3.246 3.151 1.00 0.00 C ATOM 811 O HIS A 55 -11.434 -3.506 4.149 1.00 0.00 O ATOM 812 CB HIS A 55 -12.919 -3.218 1.884 1.00 0.00 C ATOM 813 CG HIS A 55 -13.732 -2.548 0.819 1.00 0.00 C ATOM 814 ND1 HIS A 55 -14.833 -3.135 0.232 1.00 0.00 N ATOM 815 CD2 HIS A 55 -13.601 -1.332 0.238 1.00 0.00 C ATOM 816 CE1 HIS A 55 -15.342 -2.311 -0.666 1.00 0.00 C ATOM 817 NE2 HIS A 55 -14.613 -1.209 -0.682 1.00 0.00 N ATOM 0 H HIS A 55 -10.431 -2.871 -0.003 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.335 -1.776 1.709 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -13.023 -4.298 1.783 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.321 -2.948 2.860 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -12.842 -0.596 0.457 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -16.207 -2.505 -1.283 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -14.776 -0.399 -1.280 1.00 0.00 H new ATOM 825 N GLU A 56 -9.434 -3.285 3.142 1.00 0.00 N ATOM 826 CA GLU A 56 -8.672 -3.647 4.332 1.00 0.00 C ATOM 827 C GLU A 56 -7.305 -2.970 4.329 1.00 0.00 C ATOM 828 O GLU A 56 -6.661 -2.848 3.286 1.00 0.00 O ATOM 829 CB GLU A 56 -8.502 -5.165 4.414 1.00 0.00 C ATOM 830 CG GLU A 56 -7.795 -5.631 5.675 1.00 0.00 C ATOM 831 CD GLU A 56 -8.696 -5.605 6.893 1.00 0.00 C ATOM 832 OE1 GLU A 56 -9.702 -6.345 6.903 1.00 0.00 O ATOM 833 OE2 GLU A 56 -8.397 -4.844 7.837 1.00 0.00 O ATOM 0 H GLU A 56 -8.863 -3.071 2.324 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.226 -3.304 5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.484 -5.635 4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.940 -5.507 3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.423 -6.644 5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.927 -4.996 5.856 1.00 0.00 H new ATOM 840 N THR A 57 -6.865 -2.531 5.504 1.00 0.00 N ATOM 841 CA THR A 57 -5.576 -1.866 5.638 1.00 0.00 C ATOM 842 C THR A 57 -4.446 -2.879 5.783 1.00 0.00 C ATOM 843 O THR A 57 -4.585 -3.883 6.483 1.00 0.00 O ATOM 844 CB THR A 57 -5.557 -0.917 6.852 1.00 0.00 C ATOM 845 OG1 THR A 57 -6.889 -0.716 7.337 1.00 0.00 O ATOM 846 CG2 THR A 57 -4.940 0.423 6.481 1.00 0.00 C ATOM 0 H THR A 57 -7.384 -2.624 6.377 1.00 0.00 H new ATOM 0 HA THR A 57 -5.425 -1.285 4.728 1.00 0.00 H new ATOM 0 HB THR A 57 -4.951 -1.375 7.634 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.414 -0.236 6.663 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.937 1.076 7.353 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.916 0.270 6.139 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.524 0.884 5.684 1.00 0.00 H new ATOM 854 N LEU A 58 -3.328 -2.610 5.117 1.00 0.00 N ATOM 855 CA LEU A 58 -2.173 -3.499 5.172 1.00 0.00 C ATOM 856 C LEU A 58 -1.247 -3.118 6.323 1.00 0.00 C ATOM 857 O LEU A 58 -1.408 -2.065 6.939 1.00 0.00 O ATOM 858 CB LEU A 58 -1.406 -3.454 3.849 1.00 0.00 C ATOM 859 CG LEU A 58 -2.195 -3.855 2.602 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.354 -3.655 1.351 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.661 -5.300 2.708 1.00 0.00 C ATOM 0 H LEU A 58 -3.197 -1.784 4.533 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.534 -4.513 5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.028 -2.442 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.539 -4.109 3.932 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.074 -3.215 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.932 -3.946 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.070 -2.606 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.456 -4.270 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.221 -5.568 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.795 -5.955 2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.301 -5.413 3.583 1.00 0.00 H new ATOM 873 N ARG A 59 -0.277 -3.981 6.605 1.00 0.00 N ATOM 874 CA ARG A 59 0.676 -3.735 7.681 1.00 0.00 C ATOM 875 C ARG A 59 2.110 -3.828 7.169 1.00 0.00 C ATOM 876 O ARG A 59 2.351 -4.258 6.041 1.00 0.00 O ATOM 877 CB ARG A 59 0.463 -4.736 8.818 1.00 0.00 C ATOM 878 CG ARG A 59 -0.563 -4.283 9.844 1.00 0.00 C ATOM 879 CD ARG A 59 -0.622 -5.234 11.030 1.00 0.00 C ATOM 880 NE ARG A 59 -1.955 -5.287 11.623 1.00 0.00 N ATOM 881 CZ ARG A 59 -2.259 -6.026 12.684 1.00 0.00 C ATOM 882 NH1 ARG A 59 -1.328 -6.770 13.266 1.00 0.00 N ATOM 883 NH2 ARG A 59 -3.495 -6.022 13.165 1.00 0.00 N ATOM 0 H ARG A 59 -0.130 -4.857 6.103 1.00 0.00 H new ATOM 0 HA ARG A 59 0.508 -2.726 8.058 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.146 -5.690 8.396 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.414 -4.910 9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.313 -3.281 10.192 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.545 -4.222 9.376 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.328 -6.233 10.708 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.098 -4.918 11.785 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.694 -4.726 11.199 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.376 -6.775 12.899 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.564 -7.337 14.081 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.214 -5.451 12.720 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.727 -6.590 13.980 1.00 0.00 H new ATOM 897 N ASP A 60 3.059 -3.421 8.005 1.00 0.00 N ATOM 898 CA ASP A 60 4.470 -3.458 7.638 1.00 0.00 C ATOM 899 C ASP A 60 5.281 -4.228 8.675 1.00 0.00 C ATOM 900 O ASP A 60 5.095 -4.053 9.879 1.00 0.00 O ATOM 901 CB ASP A 60 5.019 -2.038 7.494 1.00 0.00 C ATOM 902 CG ASP A 60 4.747 -1.186 8.718 1.00 0.00 C ATOM 903 OD1 ASP A 60 5.518 -1.288 9.696 1.00 0.00 O ATOM 904 OD2 ASP A 60 3.765 -0.415 8.697 1.00 0.00 O ATOM 0 H ASP A 60 2.877 -3.061 8.942 1.00 0.00 H new ATOM 0 HA ASP A 60 4.558 -3.971 6.681 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.094 -2.083 7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.572 -1.566 6.619 1.00 0.00 H new ATOM 909 N GLY A 61 6.182 -5.082 8.200 1.00 0.00 N ATOM 910 CA GLY A 61 7.008 -5.867 9.099 1.00 0.00 C ATOM 911 C GLY A 61 6.663 -7.343 9.064 1.00 0.00 C ATOM 912 O GLY A 61 5.701 -7.747 8.409 1.00 0.00 O ATOM 0 H GLY A 61 6.355 -5.244 7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.057 -5.736 8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.889 -5.493 10.116 1.00 0.00 H new ATOM 916 N ASP A 62 7.449 -8.149 9.768 1.00 0.00 N ATOM 917 CA ASP A 62 7.222 -9.589 9.814 1.00 0.00 C ATOM 918 C ASP A 62 7.528 -10.231 8.464 1.00 0.00 C ATOM 919 O ASP A 62 8.564 -10.873 8.292 1.00 0.00 O ATOM 920 CB ASP A 62 5.777 -9.887 10.218 1.00 0.00 C ATOM 921 CG ASP A 62 5.684 -10.586 11.560 1.00 0.00 C ATOM 922 OD1 ASP A 62 6.267 -10.073 12.538 1.00 0.00 O ATOM 923 OD2 ASP A 62 5.028 -11.646 11.632 1.00 0.00 O ATOM 0 H ASP A 62 8.249 -7.830 10.315 1.00 0.00 H new ATOM 0 HA ASP A 62 7.894 -10.014 10.559 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.214 -8.954 10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.310 -10.509 9.454 1.00 0.00 H new ATOM 928 N ARG A 63 6.620 -10.054 7.511 1.00 0.00 N ATOM 929 CA ARG A 63 6.791 -10.618 6.177 1.00 0.00 C ATOM 930 C ARG A 63 6.817 -9.517 5.121 1.00 0.00 C ATOM 931 O ARG A 63 7.509 -9.630 4.108 1.00 0.00 O ATOM 932 CB ARG A 63 5.666 -11.608 5.870 1.00 0.00 C ATOM 933 CG ARG A 63 5.621 -12.792 6.822 1.00 0.00 C ATOM 934 CD ARG A 63 5.545 -14.110 6.069 1.00 0.00 C ATOM 935 NE ARG A 63 6.169 -15.202 6.812 1.00 0.00 N ATOM 936 CZ ARG A 63 5.653 -15.729 7.916 1.00 0.00 C ATOM 937 NH1 ARG A 63 4.509 -15.267 8.403 1.00 0.00 N ATOM 938 NH2 ARG A 63 6.280 -16.720 8.536 1.00 0.00 N ATOM 0 H ARG A 63 5.758 -9.524 7.637 1.00 0.00 H new ATOM 0 HA ARG A 63 7.745 -11.144 6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.711 -11.084 5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.785 -11.976 4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.508 -12.785 7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.758 -12.698 7.481 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.501 -14.355 5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.035 -14.003 5.101 1.00 0.00 H new ATOM 0 HE ARG A 63 7.050 -15.581 6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.024 -14.505 7.929 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.115 -15.674 9.251 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.160 -17.078 8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.882 -17.124 9.384 1.00 0.00 H new ATOM 952 N HIS A 64 6.058 -8.453 5.363 1.00 0.00 N ATOM 953 CA HIS A 64 5.993 -7.332 4.433 1.00 0.00 C ATOM 954 C HIS A 64 7.042 -6.279 4.777 1.00 0.00 C ATOM 955 O HIS A 64 7.603 -6.283 5.873 1.00 0.00 O ATOM 956 CB HIS A 64 4.599 -6.705 4.453 1.00 0.00 C ATOM 957 CG HIS A 64 3.523 -7.620 3.955 1.00 0.00 C ATOM 958 ND1 HIS A 64 3.228 -8.828 4.550 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.669 -7.498 2.912 1.00 0.00 C ATOM 960 CE1 HIS A 64 2.240 -9.410 3.894 1.00 0.00 C ATOM 961 NE2 HIS A 64 1.882 -8.623 2.895 1.00 0.00 N ATOM 0 H HIS A 64 5.479 -8.344 6.196 1.00 0.00 H new ATOM 0 HA HIS A 64 6.198 -7.711 3.432 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.362 -6.399 5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.607 -5.802 3.843 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.616 -6.669 2.221 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.800 -10.367 4.134 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.142 -8.819 2.221 1.00 0.00 H new ATOM 969 N SER A 65 7.303 -5.379 3.834 1.00 0.00 N ATOM 970 CA SER A 65 8.288 -4.323 4.037 1.00 0.00 C ATOM 971 C SER A 65 7.855 -3.036 3.342 1.00 0.00 C ATOM 972 O SER A 65 7.963 -2.908 2.121 1.00 0.00 O ATOM 973 CB SER A 65 9.655 -4.764 3.511 1.00 0.00 C ATOM 974 OG SER A 65 10.440 -5.332 4.545 1.00 0.00 O ATOM 0 H SER A 65 6.846 -5.360 2.922 1.00 0.00 H new ATOM 0 HA SER A 65 8.363 -4.131 5.107 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.523 -5.491 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.177 -3.908 3.082 1.00 0.00 H new ATOM 0 HG SER A 65 11.308 -5.607 4.183 1.00 0.00 H new ATOM 980 N LEU A 66 7.364 -2.084 4.127 1.00 0.00 N ATOM 981 CA LEU A 66 6.913 -0.804 3.589 1.00 0.00 C ATOM 982 C LEU A 66 8.028 0.235 3.650 1.00 0.00 C ATOM 983 O LEU A 66 8.578 0.508 4.717 1.00 0.00 O ATOM 984 CB LEU A 66 5.692 -0.305 4.363 1.00 0.00 C ATOM 985 CG LEU A 66 4.338 -0.847 3.904 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.326 -2.367 3.956 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.217 -0.273 4.758 1.00 0.00 C ATOM 0 H LEU A 66 7.268 -2.173 5.138 1.00 0.00 H new ATOM 0 HA LEU A 66 6.637 -0.953 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.825 -0.559 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.666 0.783 4.299 1.00 0.00 H new ATOM 0 HG LEU A 66 4.175 -0.538 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.354 -2.735 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.104 -2.760 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.511 -2.698 4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.261 -0.669 4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.375 -0.551 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.212 0.813 4.669 1.00 0.00 H new ATOM 999 N ARG A 67 8.356 0.811 2.498 1.00 0.00 N ATOM 1000 CA ARG A 67 9.404 1.821 2.420 1.00 0.00 C ATOM 1001 C ARG A 67 8.918 3.053 1.662 1.00 0.00 C ATOM 1002 O ARG A 67 8.195 2.938 0.673 1.00 0.00 O ATOM 1003 CB ARG A 67 10.646 1.246 1.736 1.00 0.00 C ATOM 1004 CG ARG A 67 11.072 -0.106 2.285 1.00 0.00 C ATOM 1005 CD ARG A 67 12.401 -0.552 1.696 1.00 0.00 C ATOM 1006 NE ARG A 67 13.212 -1.283 2.666 1.00 0.00 N ATOM 1007 CZ ARG A 67 13.802 -0.712 3.710 1.00 0.00 C ATOM 1008 NH1 ARG A 67 13.673 0.592 3.917 1.00 0.00 N ATOM 1009 NH2 ARG A 67 14.524 -1.444 4.549 1.00 0.00 N ATOM 0 H ARG A 67 7.911 0.595 1.606 1.00 0.00 H new ATOM 0 HA ARG A 67 9.662 2.119 3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.451 1.150 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.471 1.950 1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.154 -0.050 3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.306 -0.849 2.061 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.218 -1.184 0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.953 0.320 1.346 1.00 0.00 H new ATOM 0 HE ARG A 67 13.332 -2.287 2.534 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.120 1.158 3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.127 1.028 4.719 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.627 -2.447 4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.976 -1.004 5.350 1.00 0.00 H new ATOM 1023 N GLN A 68 9.319 4.229 2.134 1.00 0.00 N ATOM 1024 CA GLN A 68 8.923 5.481 1.502 1.00 0.00 C ATOM 1025 C GLN A 68 10.100 6.447 1.421 1.00 0.00 C ATOM 1026 O GLN A 68 10.890 6.558 2.359 1.00 0.00 O ATOM 1027 CB GLN A 68 7.771 6.126 2.275 1.00 0.00 C ATOM 1028 CG GLN A 68 6.823 6.928 1.399 1.00 0.00 C ATOM 1029 CD GLN A 68 5.637 7.474 2.169 1.00 0.00 C ATOM 1030 OE1 GLN A 68 5.222 6.904 3.178 1.00 0.00 O ATOM 1031 NE2 GLN A 68 5.084 8.584 1.696 1.00 0.00 N ATOM 0 H GLN A 68 9.918 4.340 2.952 1.00 0.00 H new ATOM 0 HA GLN A 68 8.590 5.257 0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.207 5.346 2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.182 6.780 3.044 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.367 7.755 0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.464 6.297 0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.461 9.023 0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.283 8.998 2.172 1.00 0.00 H new ATOM 1040 N ASP A 69 10.212 7.143 0.295 1.00 0.00 N ATOM 1041 CA ASP A 69 11.293 8.101 0.092 1.00 0.00 C ATOM 1042 C ASP A 69 10.776 9.370 -0.578 1.00 0.00 C ATOM 1043 O ASP A 69 10.722 9.459 -1.804 1.00 0.00 O ATOM 1044 CB ASP A 69 12.403 7.477 -0.756 1.00 0.00 C ATOM 1045 CG ASP A 69 13.390 6.683 0.076 1.00 0.00 C ATOM 1046 OD1 ASP A 69 13.109 5.500 0.363 1.00 0.00 O ATOM 1047 OD2 ASP A 69 14.445 7.244 0.440 1.00 0.00 O ATOM 0 H ASP A 69 9.567 7.062 -0.491 1.00 0.00 H new ATOM 0 HA ASP A 69 11.698 8.367 1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.959 6.825 -1.508 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.934 8.265 -1.291 1.00 0.00 H new ATOM 1052 N GLY A 70 10.396 10.350 0.236 1.00 0.00 N ATOM 1053 CA GLY A 70 9.887 11.601 -0.296 1.00 0.00 C ATOM 1054 C GLY A 70 8.538 11.439 -0.967 1.00 0.00 C ATOM 1055 O GLY A 70 7.523 11.249 -0.298 1.00 0.00 O ATOM 0 H GLY A 70 10.431 10.300 1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.803 12.328 0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.601 12.004 -1.015 1.00 0.00 H new ATOM 1059 N ALA A 71 8.525 11.516 -2.294 1.00 0.00 N ATOM 1060 CA ALA A 71 7.291 11.376 -3.056 1.00 0.00 C ATOM 1061 C ALA A 71 7.275 10.069 -3.841 1.00 0.00 C ATOM 1062 O ALA A 71 6.596 9.956 -4.862 1.00 0.00 O ATOM 1063 CB ALA A 71 7.113 12.561 -3.995 1.00 0.00 C ATOM 0 H ALA A 71 9.356 11.675 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 71 6.459 11.356 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.187 12.443 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.070 13.482 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.955 12.607 -4.686 1.00 0.00 H new ATOM 1069 N ARG A 72 8.027 9.086 -3.359 1.00 0.00 N ATOM 1070 CA ARG A 72 8.101 7.787 -4.018 1.00 0.00 C ATOM 1071 C ARG A 72 7.902 6.656 -3.013 1.00 0.00 C ATOM 1072 O ARG A 72 8.839 6.255 -2.321 1.00 0.00 O ATOM 1073 CB ARG A 72 9.449 7.625 -4.724 1.00 0.00 C ATOM 1074 CG ARG A 72 9.404 7.962 -6.206 1.00 0.00 C ATOM 1075 CD ARG A 72 10.734 7.672 -6.883 1.00 0.00 C ATOM 1076 NE ARG A 72 10.734 6.377 -7.558 1.00 0.00 N ATOM 1077 CZ ARG A 72 10.078 6.138 -8.688 1.00 0.00 C ATOM 1078 NH1 ARG A 72 9.374 7.101 -9.267 1.00 0.00 N ATOM 1079 NH2 ARG A 72 10.127 4.933 -9.243 1.00 0.00 N ATOM 0 H ARG A 72 8.594 9.164 -2.515 1.00 0.00 H new ATOM 0 HA ARG A 72 7.303 7.737 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.184 8.265 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.792 6.597 -4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.615 7.384 -6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.151 9.015 -6.334 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.951 8.458 -7.606 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.531 7.693 -6.140 1.00 0.00 H new ATOM 0 HE ARG A 72 11.267 5.615 -7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.335 8.029 -8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.871 6.914 -10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.669 4.190 -8.802 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.623 4.750 -10.111 1.00 0.00 H new ATOM 1093 N CYS A 73 6.678 6.146 -2.939 1.00 0.00 N ATOM 1094 CA CYS A 73 6.355 5.062 -2.018 1.00 0.00 C ATOM 1095 C CYS A 73 6.773 3.715 -2.597 1.00 0.00 C ATOM 1096 O CYS A 73 7.069 3.605 -3.786 1.00 0.00 O ATOM 1097 CB CYS A 73 4.858 5.056 -1.709 1.00 0.00 C ATOM 1098 SG CYS A 73 4.191 6.674 -1.253 1.00 0.00 S ATOM 0 H CYS A 73 5.893 6.466 -3.506 1.00 0.00 H new ATOM 0 HA CYS A 73 6.908 5.227 -1.093 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.319 4.686 -2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.669 4.355 -0.896 1.00 0.00 H new ATOM 0 HG CYS A 73 3.423 7.111 -2.206 1.00 0.00 H new ATOM 1104 N GLU A 74 6.797 2.693 -1.747 1.00 0.00 N ATOM 1105 CA GLU A 74 7.182 1.353 -2.175 1.00 0.00 C ATOM 1106 C GLU A 74 6.678 0.302 -1.189 1.00 0.00 C ATOM 1107 O GLU A 74 6.787 0.471 0.026 1.00 0.00 O ATOM 1108 CB GLU A 74 8.702 1.254 -2.311 1.00 0.00 C ATOM 1109 CG GLU A 74 9.201 -0.162 -2.546 1.00 0.00 C ATOM 1110 CD GLU A 74 10.712 -0.237 -2.661 1.00 0.00 C ATOM 1111 OE1 GLU A 74 11.352 0.831 -2.756 1.00 0.00 O ATOM 1112 OE2 GLU A 74 11.252 -1.362 -2.657 1.00 0.00 O ATOM 0 H GLU A 74 6.555 2.767 -0.759 1.00 0.00 H new ATOM 0 HA GLU A 74 6.725 1.164 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.026 1.886 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.166 1.648 -1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.871 -0.800 -1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.751 -0.555 -3.458 1.00 0.00 H new ATOM 1119 N LEU A 75 6.127 -0.784 -1.722 1.00 0.00 N ATOM 1120 CA LEU A 75 5.606 -1.863 -0.890 1.00 0.00 C ATOM 1121 C LEU A 75 6.237 -3.198 -1.274 1.00 0.00 C ATOM 1122 O LEU A 75 5.929 -3.762 -2.323 1.00 0.00 O ATOM 1123 CB LEU A 75 4.085 -1.948 -1.024 1.00 0.00 C ATOM 1124 CG LEU A 75 3.437 -3.237 -0.518 1.00 0.00 C ATOM 1125 CD1 LEU A 75 3.831 -3.501 0.927 1.00 0.00 C ATOM 1126 CD2 LEU A 75 1.923 -3.163 -0.656 1.00 0.00 C ATOM 0 H LEU A 75 6.030 -0.940 -2.725 1.00 0.00 H new ATOM 0 HA LEU A 75 5.861 -1.645 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.646 -1.109 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.826 -1.823 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 75 3.797 -4.066 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.360 -4.422 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.914 -3.599 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.501 -2.671 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.479 -4.089 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.545 -2.324 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.660 -3.023 -1.704 1.00 0.00 H new ATOM 1138 N GLN A 76 7.119 -3.699 -0.415 1.00 0.00 N ATOM 1139 CA GLN A 76 7.791 -4.969 -0.663 1.00 0.00 C ATOM 1140 C GLN A 76 7.060 -6.116 0.026 1.00 0.00 C ATOM 1141 O GLN A 76 6.478 -5.939 1.097 1.00 0.00 O ATOM 1142 CB GLN A 76 9.240 -4.907 -0.177 1.00 0.00 C ATOM 1143 CG GLN A 76 9.970 -6.237 -0.269 1.00 0.00 C ATOM 1144 CD GLN A 76 11.470 -6.092 -0.103 1.00 0.00 C ATOM 1145 OE1 GLN A 76 12.025 -6.427 0.943 1.00 0.00 O ATOM 1146 NE2 GLN A 76 12.135 -5.591 -1.137 1.00 0.00 N ATOM 0 H GLN A 76 7.385 -3.245 0.459 1.00 0.00 H new ATOM 0 HA GLN A 76 7.783 -5.151 -1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.780 -4.164 -0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.253 -4.566 0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.587 -6.911 0.497 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.758 -6.698 -1.234 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.634 -5.326 -1.985 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.146 -5.471 -1.083 1.00 0.00 H new ATOM 1155 N ILE A 77 7.093 -7.290 -0.594 1.00 0.00 N ATOM 1156 CA ILE A 77 6.433 -8.466 -0.040 1.00 0.00 C ATOM 1157 C ILE A 77 7.294 -9.712 -0.215 1.00 0.00 C ATOM 1158 O ILE A 77 7.387 -10.266 -1.311 1.00 0.00 O ATOM 1159 CB ILE A 77 5.062 -8.706 -0.698 1.00 0.00 C ATOM 1160 CG1 ILE A 77 4.168 -7.476 -0.526 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.398 -9.938 -0.104 1.00 0.00 C ATOM 1162 CD1 ILE A 77 2.929 -7.504 -1.395 1.00 0.00 C ATOM 0 H ILE A 77 7.570 -7.453 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 77 6.287 -8.274 1.023 1.00 0.00 H new ATOM 0 HB ILE A 77 5.211 -8.877 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.868 -7.398 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.746 -6.581 -0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.430 -10.094 -0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.030 -10.809 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.257 -9.795 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.342 -6.602 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.221 -7.550 -2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.330 -8.380 -1.146 1.00 0.00 H new ATOM 1174 N ARG A 78 7.920 -10.150 0.873 1.00 0.00 N ATOM 1175 CA ARG A 78 8.773 -11.332 0.840 1.00 0.00 C ATOM 1176 C ARG A 78 7.987 -12.581 1.230 1.00 0.00 C ATOM 1177 O ARG A 78 7.284 -12.593 2.240 1.00 0.00 O ATOM 1178 CB ARG A 78 9.966 -11.153 1.780 1.00 0.00 C ATOM 1179 CG ARG A 78 11.305 -11.100 1.062 1.00 0.00 C ATOM 1180 CD ARG A 78 12.454 -11.430 2.001 1.00 0.00 C ATOM 1181 NE ARG A 78 13.538 -10.455 1.903 1.00 0.00 N ATOM 1182 CZ ARG A 78 14.427 -10.441 0.917 1.00 0.00 C ATOM 1183 NH1 ARG A 78 14.362 -11.344 -0.052 1.00 0.00 N ATOM 1184 NH2 ARG A 78 15.384 -9.522 0.898 1.00 0.00 N ATOM 0 H ARG A 78 7.852 -9.704 1.788 1.00 0.00 H new ATOM 0 HA ARG A 78 9.138 -11.457 -0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.833 -10.234 2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.980 -11.974 2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.301 -11.803 0.229 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.453 -10.106 0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.086 -11.462 3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.838 -12.423 1.769 1.00 0.00 H new ATOM 0 HE ARG A 78 13.616 -9.746 2.632 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.628 -12.052 -0.041 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.046 -11.331 -0.808 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.437 -8.826 1.641 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.067 -9.512 0.140 1.00 0.00 H new ATOM 1198 N GLY A 79 8.111 -13.629 0.422 1.00 0.00 N ATOM 1199 CA GLY A 79 7.407 -14.867 0.700 1.00 0.00 C ATOM 1200 C GLY A 79 6.119 -14.991 -0.090 1.00 0.00 C ATOM 1201 O GLY A 79 5.048 -15.195 0.483 1.00 0.00 O ATOM 0 H GLY A 79 8.686 -13.643 -0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.056 -15.711 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.183 -14.923 1.765 1.00 0.00 H new ATOM 1205 N LEU A 80 6.221 -14.867 -1.408 1.00 0.00 N ATOM 1206 CA LEU A 80 5.055 -14.965 -2.279 1.00 0.00 C ATOM 1207 C LEU A 80 4.396 -16.335 -2.155 1.00 0.00 C ATOM 1208 O LEU A 80 4.987 -17.273 -1.620 1.00 0.00 O ATOM 1209 CB LEU A 80 5.456 -14.709 -3.733 1.00 0.00 C ATOM 1210 CG LEU A 80 5.505 -13.244 -4.168 1.00 0.00 C ATOM 1211 CD1 LEU A 80 5.992 -13.129 -5.604 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.137 -12.595 -4.012 1.00 0.00 C ATOM 0 H LEU A 80 7.100 -14.698 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 80 4.336 -14.207 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.439 -15.150 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.755 -15.236 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 80 6.210 -12.717 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.020 -12.079 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.992 -13.555 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.313 -13.670 -6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.191 -11.553 -4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.411 -13.123 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.828 -12.644 -2.968 1.00 0.00 H new ATOM 1224 N VAL A 81 3.170 -16.444 -2.655 1.00 0.00 N ATOM 1225 CA VAL A 81 2.431 -17.700 -2.604 1.00 0.00 C ATOM 1226 C VAL A 81 1.216 -17.661 -3.523 1.00 0.00 C ATOM 1227 O VAL A 81 1.228 -18.239 -4.609 1.00 0.00 O ATOM 1228 CB VAL A 81 1.968 -18.020 -1.170 1.00 0.00 C ATOM 1229 CG1 VAL A 81 2.878 -19.059 -0.534 1.00 0.00 C ATOM 1230 CG2 VAL A 81 1.922 -16.753 -0.330 1.00 0.00 C ATOM 0 H VAL A 81 2.667 -15.677 -3.101 1.00 0.00 H new ATOM 0 HA VAL A 81 3.111 -18.482 -2.941 1.00 0.00 H new ATOM 0 HB VAL A 81 0.961 -18.434 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.535 -19.272 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.854 -19.974 -1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.898 -18.676 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.593 -16.998 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.916 -16.307 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.224 -16.045 -0.777 1.00 0.00 H new ATOM 1240 N ALA A 82 0.167 -16.976 -3.079 1.00 0.00 N ATOM 1241 CA ALA A 82 -1.056 -16.859 -3.863 1.00 0.00 C ATOM 1242 C ALA A 82 -2.100 -16.023 -3.130 1.00 0.00 C ATOM 1243 O ALA A 82 -2.876 -15.298 -3.752 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.612 -18.239 -4.183 1.00 0.00 C ATOM 0 H ALA A 82 0.140 -16.494 -2.181 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.813 -16.352 -4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.525 -18.136 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.876 -18.804 -4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.834 -18.766 -3.255 1.00 0.00 H new ATOM 1250 N GLU A 83 -2.113 -16.130 -1.805 1.00 0.00 N ATOM 1251 CA GLU A 83 -3.064 -15.384 -0.989 1.00 0.00 C ATOM 1252 C GLU A 83 -2.810 -13.883 -1.092 1.00 0.00 C ATOM 1253 O GLU A 83 -3.727 -13.076 -0.943 1.00 0.00 O ATOM 1254 CB GLU A 83 -2.973 -15.828 0.473 1.00 0.00 C ATOM 1255 CG GLU A 83 -3.892 -16.989 0.814 1.00 0.00 C ATOM 1256 CD GLU A 83 -5.353 -16.583 0.859 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -5.637 -15.430 1.245 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -6.211 -17.420 0.507 1.00 0.00 O ATOM 0 H GLU A 83 -1.477 -16.725 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.066 -15.592 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.944 -16.113 0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.215 -14.982 1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.761 -17.780 0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.604 -17.404 1.780 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.559 -13.517 -1.349 1.00 0.00 N ATOM 1266 CA ASP A 84 -1.183 -12.114 -1.473 1.00 0.00 C ATOM 1267 C ASP A 84 -1.698 -11.527 -2.783 1.00 0.00 C ATOM 1268 O ASP A 84 -1.964 -10.329 -2.876 1.00 0.00 O ATOM 1269 CB ASP A 84 0.337 -11.962 -1.394 1.00 0.00 C ATOM 1270 CG ASP A 84 0.856 -12.055 0.027 1.00 0.00 C ATOM 1271 OD1 ASP A 84 0.693 -11.075 0.783 1.00 0.00 O ATOM 1272 OD2 ASP A 84 1.425 -13.109 0.384 1.00 0.00 O ATOM 0 H ASP A 84 -0.788 -14.173 -1.475 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.638 -11.567 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.808 -12.735 -2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.626 -11.001 -1.821 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.836 -12.380 -3.794 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.320 -11.946 -5.098 1.00 0.00 C ATOM 1279 C ALA A 85 -3.737 -11.389 -5.001 1.00 0.00 C ATOM 1280 O ALA A 85 -4.551 -11.873 -4.216 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.271 -13.099 -6.089 1.00 0.00 C ATOM 0 H ALA A 85 -1.619 -13.375 -3.734 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.668 -11.148 -5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.635 -12.761 -7.059 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.244 -13.449 -6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.899 -13.914 -5.730 1.00 0.00 H new ATOM 1287 N GLY A 86 -4.023 -10.369 -5.804 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.342 -9.763 -5.792 1.00 0.00 C ATOM 1289 C GLY A 86 -5.332 -8.343 -6.320 1.00 0.00 C ATOM 1290 O GLY A 86 -4.732 -8.064 -7.357 1.00 0.00 O ATOM 0 H GLY A 86 -3.365 -9.951 -6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.021 -10.366 -6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.731 -9.766 -4.774 1.00 0.00 H new ATOM 1294 N GLU A 87 -6.000 -7.443 -5.606 1.00 0.00 N ATOM 1295 CA GLU A 87 -6.068 -6.043 -6.011 1.00 0.00 C ATOM 1296 C GLU A 87 -5.540 -5.131 -4.907 1.00 0.00 C ATOM 1297 O GLU A 87 -6.058 -5.126 -3.790 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.507 -5.659 -6.360 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.648 -4.240 -6.885 1.00 0.00 C ATOM 1300 CD GLU A 87 -8.974 -4.005 -7.581 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -9.107 -4.407 -8.756 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.879 -3.419 -6.952 1.00 0.00 O ATOM 0 H GLU A 87 -6.502 -7.658 -4.744 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.442 -5.916 -6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.888 -6.354 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.130 -5.773 -5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.547 -3.538 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.835 -4.031 -7.580 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.506 -4.361 -5.228 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.905 -3.447 -4.264 1.00 0.00 C ATOM 1311 C TYR A 88 -4.477 -2.041 -4.418 1.00 0.00 C ATOM 1312 O TYR A 88 -5.137 -1.731 -5.411 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.386 -3.414 -4.439 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.689 -4.648 -3.910 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.901 -5.892 -4.490 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -0.818 -4.568 -2.831 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.267 -7.021 -4.010 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.178 -5.691 -2.345 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.406 -6.916 -2.937 1.00 0.00 C ATOM 1320 OH TYR A 88 0.229 -8.038 -2.457 1.00 0.00 O ATOM 0 H TYR A 88 -4.067 -4.352 -6.148 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.140 -3.808 -3.263 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.153 -3.301 -5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.989 -2.536 -3.930 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.573 -5.978 -5.331 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.638 -3.611 -2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.444 -7.981 -4.472 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.497 -5.611 -1.506 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.362 -8.814 -2.551 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.218 -1.193 -3.429 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.704 0.182 -3.452 1.00 0.00 C ATOM 1332 C LEU A 89 -3.673 1.135 -2.856 1.00 0.00 C ATOM 1333 O LEU A 89 -2.635 0.706 -2.353 1.00 0.00 O ATOM 1334 CB LEU A 89 -6.021 0.291 -2.682 1.00 0.00 C ATOM 1335 CG LEU A 89 -7.158 1.025 -3.395 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.400 0.150 -3.460 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.465 2.340 -2.695 1.00 0.00 C ATOM 0 H LEU A 89 -3.674 -1.434 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.873 0.464 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.361 -0.716 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.825 0.797 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.840 1.245 -4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.198 0.689 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.172 -0.765 -4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.721 -0.102 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.276 2.849 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.762 2.143 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.577 2.972 -2.702 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.968 2.429 -2.915 1.00 0.00 N ATOM 1350 CA CYS A 90 -3.067 3.444 -2.380 1.00 0.00 C ATOM 1351 C CYS A 90 -3.774 4.789 -2.258 1.00 0.00 C ATOM 1352 O CYS A 90 -3.745 5.602 -3.182 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.833 3.581 -3.273 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.389 4.275 -2.434 1.00 0.00 S ATOM 0 H CYS A 90 -4.824 2.800 -3.328 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.753 3.128 -1.385 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.573 2.599 -3.669 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -2.083 4.212 -4.126 1.00 0.00 H new ATOM 0 HG CYS A 90 0.391 3.311 -2.043 1.00 0.00 H new ATOM 1360 N MET A 91 -4.410 5.016 -1.114 1.00 0.00 N ATOM 1361 CA MET A 91 -5.126 6.264 -0.872 1.00 0.00 C ATOM 1362 C MET A 91 -4.194 7.321 -0.289 1.00 0.00 C ATOM 1363 O MET A 91 -3.514 7.080 0.710 1.00 0.00 O ATOM 1364 CB MET A 91 -6.303 6.026 0.076 1.00 0.00 C ATOM 1365 CG MET A 91 -7.251 4.935 -0.394 1.00 0.00 C ATOM 1366 SD MET A 91 -8.843 4.987 0.451 1.00 0.00 S ATOM 1367 CE MET A 91 -8.669 3.613 1.586 1.00 0.00 C ATOM 0 H MET A 91 -4.445 4.353 -0.340 1.00 0.00 H new ATOM 0 HA MET A 91 -5.506 6.627 -1.827 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.918 5.762 1.061 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.860 6.956 0.191 1.00 0.00 H new ATOM 0 HG2 MET A 91 -7.410 5.035 -1.468 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.789 3.962 -0.230 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.656 3.265 1.890 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.134 2.801 1.094 1.00 0.00 H new ATOM 0 HE3 MET A 91 -8.111 3.936 2.465 1.00 0.00 H new ATOM 1377 N CYS A 92 -4.166 8.491 -0.918 1.00 0.00 N ATOM 1378 CA CYS A 92 -3.316 9.585 -0.461 1.00 0.00 C ATOM 1379 C CYS A 92 -4.101 10.891 -0.392 1.00 0.00 C ATOM 1380 O CYS A 92 -4.186 11.629 -1.372 1.00 0.00 O ATOM 1381 CB CYS A 92 -2.114 9.747 -1.393 1.00 0.00 C ATOM 1382 SG CYS A 92 -1.037 11.136 -0.973 1.00 0.00 S ATOM 0 H CYS A 92 -4.722 8.706 -1.746 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.960 9.343 0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.528 8.828 -1.375 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -2.474 9.876 -2.414 1.00 0.00 H new ATOM 0 HG CYS A 92 0.205 10.784 -1.128 1.00 0.00 H new ATOM 1388 N GLY A 93 -4.675 11.169 0.775 1.00 0.00 N ATOM 1389 CA GLY A 93 -5.447 12.385 0.951 1.00 0.00 C ATOM 1390 C GLY A 93 -6.863 12.254 0.424 1.00 0.00 C ATOM 1391 O GLY A 93 -7.820 12.212 1.197 1.00 0.00 O ATOM 0 H GLY A 93 -4.619 10.574 1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.479 12.641 2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.947 13.207 0.439 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.998 12.191 -0.896 1.00 0.00 N ATOM 1396 CA LYS A 94 -8.306 12.065 -1.527 1.00 0.00 C ATOM 1397 C LYS A 94 -8.281 11.007 -2.626 1.00 0.00 C ATOM 1398 O LYS A 94 -9.017 10.023 -2.569 1.00 0.00 O ATOM 1399 CB LYS A 94 -8.747 13.410 -2.109 1.00 0.00 C ATOM 1400 CG LYS A 94 -10.108 13.869 -1.617 1.00 0.00 C ATOM 1401 CD LYS A 94 -10.745 14.857 -2.580 1.00 0.00 C ATOM 1402 CE LYS A 94 -12.024 15.448 -2.008 1.00 0.00 C ATOM 1403 NZ LYS A 94 -12.906 16.000 -3.073 1.00 0.00 N ATOM 0 H LYS A 94 -6.216 12.225 -1.550 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.020 11.755 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.004 14.167 -1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.769 13.336 -3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.762 13.006 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.004 14.332 -0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.040 15.658 -2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.964 14.357 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.562 14.680 -1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.774 16.237 -1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.767 16.393 -2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.402 16.751 -3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.166 15.242 -3.736 1.00 0.00 H new ATOM 1417 N GLU A 95 -7.428 11.217 -3.624 1.00 0.00 N ATOM 1418 CA GLU A 95 -7.307 10.280 -4.735 1.00 0.00 C ATOM 1419 C GLU A 95 -6.839 8.913 -4.245 1.00 0.00 C ATOM 1420 O GLU A 95 -6.488 8.747 -3.077 1.00 0.00 O ATOM 1421 CB GLU A 95 -6.332 10.821 -5.783 1.00 0.00 C ATOM 1422 CG GLU A 95 -6.648 12.235 -6.237 1.00 0.00 C ATOM 1423 CD GLU A 95 -8.070 12.380 -6.746 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -8.992 12.478 -5.910 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -8.260 12.395 -7.980 1.00 0.00 O ATOM 0 H GLU A 95 -6.811 12.027 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.291 10.166 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.322 10.797 -5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.340 10.160 -6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.491 12.923 -5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.953 12.524 -7.025 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.838 7.937 -5.147 1.00 0.00 N ATOM 1433 CA ARG A 96 -6.415 6.584 -4.807 1.00 0.00 C ATOM 1434 C ARG A 96 -6.185 5.754 -6.067 1.00 0.00 C ATOM 1435 O ARG A 96 -7.037 5.702 -6.955 1.00 0.00 O ATOM 1436 CB ARG A 96 -7.463 5.906 -3.922 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.797 5.687 -4.616 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.933 5.560 -3.613 1.00 0.00 C ATOM 1439 NE ARG A 96 -10.271 6.843 -3.003 1.00 0.00 N ATOM 1440 CZ ARG A 96 -11.429 7.088 -2.399 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -12.354 6.142 -2.326 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -11.662 8.281 -1.868 1.00 0.00 N ATOM 0 H ARG A 96 -7.125 8.058 -6.118 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.475 6.651 -4.259 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.075 4.944 -3.587 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.622 6.514 -3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.998 6.519 -5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.747 4.786 -5.227 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.813 5.153 -4.111 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.651 4.851 -2.834 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.580 7.592 -3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.178 5.224 -2.734 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.242 6.332 -1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.952 9.011 -1.923 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.551 8.468 -1.405 1.00 0.00 H new ATOM 1456 N THR A 97 -5.027 5.105 -6.138 1.00 0.00 N ATOM 1457 CA THR A 97 -4.683 4.279 -7.289 1.00 0.00 C ATOM 1458 C THR A 97 -4.587 2.808 -6.901 1.00 0.00 C ATOM 1459 O THR A 97 -3.934 2.456 -5.918 1.00 0.00 O ATOM 1460 CB THR A 97 -3.348 4.720 -7.918 1.00 0.00 C ATOM 1461 OG1 THR A 97 -3.039 3.889 -9.043 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.220 4.646 -6.901 1.00 0.00 C ATOM 0 H THR A 97 -4.311 5.135 -5.412 1.00 0.00 H new ATOM 0 HA THR A 97 -5.481 4.408 -8.020 1.00 0.00 H new ATOM 0 HB THR A 97 -3.451 5.754 -8.248 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.665 4.439 -9.763 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.287 4.962 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.445 5.302 -6.060 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.118 3.621 -6.545 1.00 0.00 H new ATOM 1470 N SER A 98 -5.242 1.951 -7.678 1.00 0.00 N ATOM 1471 CA SER A 98 -5.232 0.517 -7.414 1.00 0.00 C ATOM 1472 C SER A 98 -4.546 -0.240 -8.546 1.00 0.00 C ATOM 1473 O SER A 98 -4.497 0.231 -9.682 1.00 0.00 O ATOM 1474 CB SER A 98 -6.661 0.001 -7.232 1.00 0.00 C ATOM 1475 OG SER A 98 -7.581 0.771 -7.987 1.00 0.00 O ATOM 0 H SER A 98 -5.786 2.225 -8.496 1.00 0.00 H new ATOM 0 HA SER A 98 -4.671 0.346 -6.495 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.716 -1.043 -7.541 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.932 0.036 -6.177 1.00 0.00 H new ATOM 0 HG SER A 98 -8.487 0.420 -7.855 1.00 0.00 H new ATOM 1481 N ALA A 99 -4.017 -1.417 -8.228 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.335 -2.241 -9.218 1.00 0.00 C ATOM 1483 C ALA A 99 -3.724 -3.708 -9.073 1.00 0.00 C ATOM 1484 O ALA A 99 -4.481 -4.073 -8.174 1.00 0.00 O ATOM 1485 CB ALA A 99 -1.827 -2.078 -9.093 1.00 0.00 C ATOM 0 H ALA A 99 -4.048 -1.821 -7.292 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.645 -1.906 -10.208 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.331 -2.699 -9.839 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.559 -1.034 -9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.509 -2.384 -8.096 1.00 0.00 H new ATOM 1491 N MET A 100 -3.202 -4.545 -9.964 1.00 0.00 N ATOM 1492 CA MET A 100 -3.495 -5.973 -9.933 1.00 0.00 C ATOM 1493 C MET A 100 -2.208 -6.792 -9.938 1.00 0.00 C ATOM 1494 O MET A 100 -1.467 -6.797 -10.921 1.00 0.00 O ATOM 1495 CB MET A 100 -4.366 -6.362 -11.130 1.00 0.00 C ATOM 1496 CG MET A 100 -5.856 -6.214 -10.870 1.00 0.00 C ATOM 1497 SD MET A 100 -6.763 -7.750 -11.135 1.00 0.00 S ATOM 1498 CE MET A 100 -6.005 -8.807 -9.904 1.00 0.00 C ATOM 0 H MET A 100 -2.575 -4.259 -10.716 1.00 0.00 H new ATOM 0 HA MET A 100 -4.038 -6.188 -9.012 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.091 -5.744 -11.985 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.154 -7.396 -11.403 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.010 -5.878 -9.845 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.260 -5.441 -11.523 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.979 -9.833 -10.271 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.988 -8.466 -9.708 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.585 -8.766 -8.982 1.00 0.00 H new ATOM 1508 N LEU A 101 -1.949 -7.484 -8.834 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.751 -8.307 -8.710 1.00 0.00 C ATOM 1510 C LEU A 101 -1.055 -9.764 -9.042 1.00 0.00 C ATOM 1511 O LEU A 101 -1.971 -10.363 -8.477 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.179 -8.202 -7.295 1.00 0.00 C ATOM 1513 CG LEU A 101 1.226 -8.770 -7.095 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.259 -7.892 -7.784 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.541 -8.903 -5.612 1.00 0.00 C ATOM 0 H LEU A 101 -2.553 -7.492 -8.012 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.012 -7.938 -9.421 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.169 -7.151 -7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.857 -8.714 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 101 1.264 -9.762 -7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.253 -8.312 -7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.044 -7.847 -8.852 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.221 -6.887 -7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.545 -9.309 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.485 -7.923 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.819 -9.573 -5.145 1.00 0.00 H new ATOM 1527 N THR A 102 -0.279 -10.332 -9.960 1.00 0.00 N ATOM 1528 CA THR A 102 -0.464 -11.719 -10.366 1.00 0.00 C ATOM 1529 C THR A 102 0.690 -12.591 -9.886 1.00 0.00 C ATOM 1530 O THR A 102 1.855 -12.303 -10.160 1.00 0.00 O ATOM 1531 CB THR A 102 -0.586 -11.845 -11.896 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.672 -11.040 -12.369 1.00 0.00 O ATOM 1533 CG2 THR A 102 -0.807 -13.294 -12.304 1.00 0.00 C ATOM 0 H THR A 102 0.484 -9.852 -10.437 1.00 0.00 H new ATOM 0 HA THR A 102 -1.391 -12.062 -9.906 1.00 0.00 H new ATOM 0 HB THR A 102 0.345 -11.496 -12.342 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.742 -11.124 -13.343 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.890 -13.358 -13.389 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.035 -13.899 -11.968 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.725 -13.665 -11.847 1.00 0.00 H new ATOM 1541 N VAL A 103 0.359 -13.660 -9.168 1.00 0.00 N ATOM 1542 CA VAL A 103 1.369 -14.576 -8.651 1.00 0.00 C ATOM 1543 C VAL A 103 1.328 -15.911 -9.386 1.00 0.00 C ATOM 1544 O VAL A 103 0.414 -16.713 -9.188 1.00 0.00 O ATOM 1545 CB VAL A 103 1.180 -14.827 -7.143 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.242 -15.784 -6.624 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.214 -13.513 -6.377 1.00 0.00 C ATOM 0 H VAL A 103 -0.600 -13.913 -8.931 1.00 0.00 H new ATOM 0 HA VAL A 103 2.338 -14.104 -8.815 1.00 0.00 H new ATOM 0 HB VAL A 103 0.204 -15.287 -6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.093 -15.949 -5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.165 -16.734 -7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.230 -15.355 -6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.079 -13.708 -5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.175 -13.023 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.413 -12.864 -6.731 1.00 0.00 H new ATOM 1557 N ARG A 104 2.323 -16.144 -10.236 1.00 0.00 N ATOM 1558 CA ARG A 104 2.400 -17.382 -11.002 1.00 0.00 C ATOM 1559 C ARG A 104 2.769 -18.557 -10.100 1.00 0.00 C ATOM 1560 O ARG A 104 2.836 -18.418 -8.879 1.00 0.00 O ATOM 1561 CB ARG A 104 3.426 -17.247 -12.128 1.00 0.00 C ATOM 1562 CG ARG A 104 3.198 -16.037 -13.018 1.00 0.00 C ATOM 1563 CD ARG A 104 2.746 -16.447 -14.411 1.00 0.00 C ATOM 1564 NE ARG A 104 1.290 -16.472 -14.529 1.00 0.00 N ATOM 1565 CZ ARG A 104 0.650 -16.750 -15.659 1.00 0.00 C ATOM 1566 NH1 ARG A 104 1.332 -17.027 -16.762 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -0.677 -16.753 -15.687 1.00 0.00 N ATOM 0 H ARG A 104 3.087 -15.491 -10.411 1.00 0.00 H new ATOM 0 HA ARG A 104 1.419 -17.574 -11.436 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.424 -17.185 -11.693 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.401 -18.148 -12.741 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.447 -15.389 -12.567 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.118 -15.458 -13.089 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.157 -15.753 -15.144 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.146 -17.433 -14.646 1.00 0.00 H new ATOM 0 HE ARG A 104 0.735 -16.265 -13.699 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.352 -17.027 -16.745 1.00 0.00 H new ATOM 0 HH12 ARG A 104 0.837 -17.240 -17.628 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -1.205 -16.542 -14.841 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.168 -16.967 -16.555 1.00 0.00 H new ATOM 1581 N ALA A 105 3.007 -19.713 -10.711 1.00 0.00 N ATOM 1582 CA ALA A 105 3.371 -20.910 -9.965 1.00 0.00 C ATOM 1583 C ALA A 105 4.824 -21.296 -10.220 1.00 0.00 C ATOM 1584 O ALA A 105 5.342 -21.108 -11.320 1.00 0.00 O ATOM 1585 CB ALA A 105 2.445 -22.061 -10.330 1.00 0.00 C ATOM 0 H ALA A 105 2.954 -19.845 -11.721 1.00 0.00 H new ATOM 0 HA ALA A 105 3.262 -20.693 -8.902 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.728 -22.949 -9.765 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.417 -21.791 -10.090 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.526 -22.269 -11.397 1.00 0.00 H new ATOM 1591 N MET A 106 5.477 -21.837 -9.196 1.00 0.00 N ATOM 1592 CA MET A 106 6.871 -22.249 -9.311 1.00 0.00 C ATOM 1593 C MET A 106 7.007 -23.453 -10.237 1.00 0.00 C ATOM 1594 O MET A 106 6.045 -24.174 -10.502 1.00 0.00 O ATOM 1595 CB MET A 106 7.441 -22.585 -7.931 1.00 0.00 C ATOM 1596 CG MET A 106 8.235 -21.448 -7.309 1.00 0.00 C ATOM 1597 SD MET A 106 9.813 -21.994 -6.629 1.00 0.00 S ATOM 1598 CE MET A 106 10.937 -20.844 -7.419 1.00 0.00 C ATOM 0 H MET A 106 5.063 -22.000 -8.278 1.00 0.00 H new ATOM 0 HA MET A 106 7.435 -21.420 -9.737 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.622 -22.853 -7.264 1.00 0.00 H new ATOM 0 HB3 MET A 106 8.083 -23.462 -8.016 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.414 -20.681 -8.062 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.643 -20.987 -6.518 1.00 0.00 H new ATOM 0 HE1 MET A 106 11.957 -21.054 -7.098 1.00 0.00 H new ATOM 0 HE2 MET A 106 10.868 -20.953 -8.501 1.00 0.00 H new ATOM 0 HE3 MET A 106 10.671 -19.825 -7.139 1.00 0.00 H new ATOM 1608 N PRO A 107 8.229 -23.678 -10.742 1.00 0.00 N ATOM 1609 CA PRO A 107 8.519 -24.795 -11.646 1.00 0.00 C ATOM 1610 C PRO A 107 8.456 -26.144 -10.939 1.00 0.00 C ATOM 1611 O PRO A 107 9.227 -26.409 -10.017 1.00 0.00 O ATOM 1612 CB PRO A 107 9.946 -24.505 -12.121 1.00 0.00 C ATOM 1613 CG PRO A 107 10.546 -23.682 -11.034 1.00 0.00 C ATOM 1614 CD PRO A 107 9.422 -22.859 -10.468 1.00 0.00 C ATOM 0 HA PRO A 107 7.792 -24.865 -12.455 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.507 -25.427 -12.276 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.946 -23.969 -13.070 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.991 -24.315 -10.266 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.340 -23.044 -11.421 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.552 -22.682 -9.400 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.358 -21.882 -10.948 1.00 0.00 H new ATOM 1622 N SER A 108 7.534 -26.994 -11.378 1.00 0.00 N ATOM 1623 CA SER A 108 7.368 -28.316 -10.784 1.00 0.00 C ATOM 1624 C SER A 108 8.497 -29.249 -11.212 1.00 0.00 C ATOM 1625 O SER A 108 9.142 -29.884 -10.379 1.00 0.00 O ATOM 1626 CB SER A 108 6.018 -28.913 -11.186 1.00 0.00 C ATOM 1627 OG SER A 108 4.986 -27.946 -11.098 1.00 0.00 O ATOM 0 H SER A 108 6.890 -26.791 -12.143 1.00 0.00 H new ATOM 0 HA SER A 108 7.401 -28.207 -9.700 1.00 0.00 H new ATOM 0 HB2 SER A 108 6.075 -29.296 -12.205 1.00 0.00 H new ATOM 0 HB3 SER A 108 5.784 -29.759 -10.540 1.00 0.00 H new ATOM 0 HG SER A 108 4.134 -28.352 -11.362 1.00 0.00 H new ATOM 1633 N GLY A 109 8.731 -29.325 -12.519 1.00 0.00 N ATOM 1634 CA GLY A 109 9.781 -30.182 -13.036 1.00 0.00 C ATOM 1635 C GLY A 109 10.440 -29.609 -14.275 1.00 0.00 C ATOM 1636 O GLY A 109 10.275 -28.434 -14.604 1.00 0.00 O ATOM 0 H GLY A 109 8.212 -28.808 -13.229 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.535 -30.333 -12.264 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.364 -31.161 -13.270 1.00 0.00 H new ATOM 1640 N PRO A 110 11.206 -30.450 -14.985 1.00 0.00 N ATOM 1641 CA PRO A 110 11.908 -30.042 -16.206 1.00 0.00 C ATOM 1642 C PRO A 110 10.952 -29.780 -17.364 1.00 0.00 C ATOM 1643 O PRO A 110 10.089 -30.604 -17.668 1.00 0.00 O ATOM 1644 CB PRO A 110 12.807 -31.241 -16.516 1.00 0.00 C ATOM 1645 CG PRO A 110 12.122 -32.403 -15.883 1.00 0.00 C ATOM 1646 CD PRO A 110 11.447 -31.864 -14.652 1.00 0.00 C ATOM 0 HA PRO A 110 12.452 -29.108 -16.070 1.00 0.00 H new ATOM 0 HB2 PRO A 110 12.918 -31.385 -17.591 1.00 0.00 H new ATOM 0 HB3 PRO A 110 13.808 -31.101 -16.108 1.00 0.00 H new ATOM 0 HG2 PRO A 110 11.396 -32.846 -16.564 1.00 0.00 H new ATOM 0 HG3 PRO A 110 12.837 -33.185 -15.626 1.00 0.00 H new ATOM 0 HD2 PRO A 110 10.517 -32.391 -14.441 1.00 0.00 H new ATOM 0 HD3 PRO A 110 12.079 -31.967 -13.770 1.00 0.00 H new ATOM 1654 N SER A 111 11.111 -28.628 -18.008 1.00 0.00 N ATOM 1655 CA SER A 111 10.259 -28.256 -19.132 1.00 0.00 C ATOM 1656 C SER A 111 11.093 -27.991 -20.381 1.00 0.00 C ATOM 1657 O SER A 111 12.323 -27.982 -20.330 1.00 0.00 O ATOM 1658 CB SER A 111 9.432 -27.016 -18.784 1.00 0.00 C ATOM 1659 OG SER A 111 10.017 -25.845 -19.326 1.00 0.00 O ATOM 0 H SER A 111 11.822 -27.936 -17.771 1.00 0.00 H new ATOM 0 HA SER A 111 9.585 -29.088 -19.336 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.418 -27.131 -19.168 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.353 -26.919 -17.701 1.00 0.00 H new ATOM 0 HG SER A 111 9.469 -25.067 -19.091 1.00 0.00 H new ATOM 1665 N SER A 112 10.414 -27.776 -21.504 1.00 0.00 N ATOM 1666 CA SER A 112 11.091 -27.514 -22.768 1.00 0.00 C ATOM 1667 C SER A 112 10.360 -26.436 -23.563 1.00 0.00 C ATOM 1668 O SER A 112 9.157 -26.531 -23.800 1.00 0.00 O ATOM 1669 CB SER A 112 11.184 -28.798 -23.596 1.00 0.00 C ATOM 1670 OG SER A 112 12.223 -29.636 -23.121 1.00 0.00 O ATOM 0 H SER A 112 9.396 -27.778 -21.564 1.00 0.00 H new ATOM 0 HA SER A 112 12.097 -27.158 -22.546 1.00 0.00 H new ATOM 0 HB2 SER A 112 10.234 -29.331 -23.554 1.00 0.00 H new ATOM 0 HB3 SER A 112 11.363 -28.548 -24.642 1.00 0.00 H new ATOM 0 HG SER A 112 12.508 -29.333 -22.234 1.00 0.00 H new ATOM 1676 N GLY A 113 11.099 -25.408 -23.971 1.00 0.00 N ATOM 1677 CA GLY A 113 10.506 -24.326 -24.734 1.00 0.00 C ATOM 1678 C GLY A 113 11.528 -23.293 -25.165 1.00 0.00 C ATOM 1679 O GLY A 113 12.220 -22.710 -24.331 1.00 0.00 O ATOM 0 H GLY A 113 12.097 -25.306 -23.787 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.013 -24.735 -25.616 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.735 -23.842 -24.134 1.00 0.00 H new TER 1683 GLY A 113