USER MOD reduce.3.24.130724 H: found=0, std=0, add=340, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 341 hydrogens (2 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 Single : A 1 HIS : no HD1:sc= 0.0338 K(o=0.034,f=-0.58) USER MOD Single : A 1 HIS N :NH3+ -147:sc= 0.231 (180deg=0.0353) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 68:sc= 1.18 USER MOD Single : A 9 SER OG : rot 180:sc= 0.138 USER MOD Single : A 10 TYR OH : rot 130:sc= 0.525 USER MOD Single : A 11 SER OG : rot 83:sc= 1.25 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0456 K(o=-0.046,f=-2.5!) USER MOD Single : A 17 MET CE :methyl 156:sc= -0.079 (180deg=-0.179) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.31) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.05 X(o=-0.05,f=-0.05) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 23.625 -9.019 -11.268 1.00 0.00 N ATOM 2 CA HIS A 1 22.568 -8.475 -10.379 1.00 0.00 C ATOM 3 C HIS A 1 21.564 -7.623 -11.168 1.00 0.00 C ATOM 4 O HIS A 1 21.697 -7.466 -12.386 1.00 0.00 O ATOM 5 CB HIS A 1 23.190 -7.683 -9.210 1.00 0.00 C ATOM 6 CG HIS A 1 23.822 -6.375 -9.633 1.00 0.00 C ATOM 7 ND1 HIS A 1 24.907 -6.246 -10.506 1.00 0.00 N ATOM 8 CD2 HIS A 1 23.394 -5.129 -9.276 1.00 0.00 C ATOM 9 CE1 HIS A 1 25.117 -4.924 -10.643 1.00 0.00 C ATOM 10 NE2 HIS A 1 24.222 -4.232 -9.916 1.00 0.00 N ATOM 0 H1 HIS A 1 23.924 -9.953 -10.921 1.00 0.00 H new ATOM 0 H2 HIS A 1 23.252 -9.112 -12.234 1.00 0.00 H new ATOM 0 H3 HIS A 1 24.441 -8.374 -11.272 1.00 0.00 H new ATOM 0 HA HIS A 1 22.017 -9.314 -9.954 1.00 0.00 H new ATOM 0 HB2 HIS A 1 22.418 -7.481 -8.468 1.00 0.00 H new ATOM 0 HB3 HIS A 1 23.945 -8.301 -8.724 1.00 0.00 H new ATOM 0 HD2 HIS A 1 22.569 -4.892 -8.621 1.00 0.00 H new ATOM 0 HE1 HIS A 1 25.893 -4.482 -11.250 1.00 0.00 H new ATOM 0 HE2 HIS A 1 24.165 -3.216 -9.849 1.00 0.00 H new ATOM 20 N SER A 2 20.573 -7.047 -10.477 1.00 0.00 N ATOM 21 CA SER A 2 19.554 -6.136 -11.032 1.00 0.00 C ATOM 22 C SER A 2 19.328 -4.935 -10.103 1.00 0.00 C ATOM 23 O SER A 2 19.533 -5.029 -8.890 1.00 0.00 O ATOM 24 CB SER A 2 18.221 -6.876 -11.233 1.00 0.00 C ATOM 25 OG SER A 2 18.360 -7.942 -12.159 1.00 0.00 O ATOM 0 H SER A 2 20.451 -7.206 -9.477 1.00 0.00 H new ATOM 0 HA SER A 2 19.920 -5.778 -11.994 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.870 -7.265 -10.277 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.464 -6.177 -11.590 1.00 0.00 H new ATOM 0 HG SER A 2 17.498 -8.396 -12.267 1.00 0.00 H new ATOM 31 N ASP A 3 18.892 -3.803 -10.667 1.00 0.00 N ATOM 32 CA ASP A 3 18.703 -2.537 -9.933 1.00 0.00 C ATOM 33 C ASP A 3 17.557 -1.683 -10.500 1.00 0.00 C ATOM 34 O ASP A 3 16.669 -1.259 -9.757 1.00 0.00 O ATOM 35 CB ASP A 3 20.023 -1.751 -9.972 1.00 0.00 C ATOM 36 CG ASP A 3 19.949 -0.459 -9.142 1.00 0.00 C ATOM 37 OD1 ASP A 3 20.000 -0.538 -7.891 1.00 0.00 O ATOM 38 OD2 ASP A 3 19.859 0.640 -9.740 1.00 0.00 O ATOM 0 H ASP A 3 18.656 -3.735 -11.657 1.00 0.00 H new ATOM 0 HA ASP A 3 18.425 -2.777 -8.907 1.00 0.00 H new ATOM 0 HB2 ASP A 3 20.830 -2.379 -9.594 1.00 0.00 H new ATOM 0 HB3 ASP A 3 20.268 -1.505 -11.005 1.00 0.00 H new ATOM 43 N GLY A 4 17.511 -1.492 -11.822 1.00 0.00 N ATOM 44 CA GLY A 4 16.443 -0.734 -12.486 1.00 0.00 C ATOM 45 C GLY A 4 15.155 -1.539 -12.598 1.00 0.00 C ATOM 46 O GLY A 4 14.081 -1.082 -12.205 1.00 0.00 O ATOM 0 H GLY A 4 18.214 -1.859 -12.464 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.250 0.183 -11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.774 -0.439 -13.482 1.00 0.00 H new ATOM 50 N ILE A 5 15.285 -2.793 -13.034 1.00 0.00 N ATOM 51 CA ILE A 5 14.226 -3.798 -13.013 1.00 0.00 C ATOM 52 C ILE A 5 13.718 -4.056 -11.591 1.00 0.00 C ATOM 53 O ILE A 5 12.523 -4.231 -11.354 1.00 0.00 O ATOM 54 CB ILE A 5 14.779 -5.064 -13.686 1.00 0.00 C ATOM 55 CG1 ILE A 5 14.852 -4.869 -15.213 1.00 0.00 C ATOM 56 CG2 ILE A 5 14.025 -6.332 -13.278 1.00 0.00 C ATOM 57 CD1 ILE A 5 13.515 -4.951 -15.960 1.00 0.00 C ATOM 0 H ILE A 5 16.159 -3.146 -13.424 1.00 0.00 H new ATOM 0 HA ILE A 5 13.354 -3.446 -13.564 1.00 0.00 H new ATOM 0 HB ILE A 5 15.796 -5.218 -13.324 1.00 0.00 H new ATOM 0 HG12 ILE A 5 15.301 -3.896 -15.415 1.00 0.00 H new ATOM 0 HG13 ILE A 5 15.524 -5.622 -15.625 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.460 -7.193 -13.785 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.101 -6.469 -12.199 1.00 0.00 H new ATOM 0 HG23 ILE A 5 12.976 -6.238 -13.559 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.684 -4.800 -17.026 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.068 -5.932 -15.799 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.842 -4.180 -15.586 1.00 0.00 H new ATOM 69 N PHE A 6 14.640 -4.028 -10.630 1.00 0.00 N ATOM 70 CA PHE A 6 14.331 -4.226 -9.212 1.00 0.00 C ATOM 71 C PHE A 6 13.545 -3.045 -8.630 1.00 0.00 C ATOM 72 O PHE A 6 12.730 -3.224 -7.729 1.00 0.00 O ATOM 73 CB PHE A 6 15.638 -4.443 -8.443 1.00 0.00 C ATOM 74 CG PHE A 6 15.421 -4.829 -6.995 1.00 0.00 C ATOM 75 CD1 PHE A 6 15.027 -6.142 -6.671 1.00 0.00 C ATOM 76 CD2 PHE A 6 15.561 -3.868 -5.976 1.00 0.00 C ATOM 77 CE1 PHE A 6 14.779 -6.493 -5.332 1.00 0.00 C ATOM 78 CE2 PHE A 6 15.311 -4.219 -4.637 1.00 0.00 C ATOM 79 CZ PHE A 6 14.920 -5.531 -4.315 1.00 0.00 C ATOM 0 H PHE A 6 15.630 -3.866 -10.813 1.00 0.00 H new ATOM 0 HA PHE A 6 13.695 -5.106 -9.112 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.218 -5.223 -8.937 1.00 0.00 H new ATOM 0 HB3 PHE A 6 16.232 -3.530 -8.484 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.915 -6.880 -7.452 1.00 0.00 H new ATOM 0 HD2 PHE A 6 15.861 -2.860 -6.223 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.480 -7.501 -5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 6 15.419 -3.481 -3.856 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.728 -5.800 -3.287 1.00 0.00 H new ATOM 89 N THR A 7 13.732 -1.849 -9.190 1.00 0.00 N ATOM 90 CA THR A 7 13.010 -0.624 -8.783 1.00 0.00 C ATOM 91 C THR A 7 11.536 -0.644 -9.184 1.00 0.00 C ATOM 92 O THR A 7 10.688 -0.032 -8.531 1.00 0.00 O ATOM 93 CB THR A 7 13.728 0.646 -9.283 1.00 0.00 C ATOM 94 OG1 THR A 7 15.041 0.694 -8.755 1.00 0.00 O ATOM 95 CG2 THR A 7 13.064 1.952 -8.842 1.00 0.00 C ATOM 0 H THR A 7 14.395 -1.693 -9.949 1.00 0.00 H new ATOM 0 HA THR A 7 13.024 -0.601 -7.693 1.00 0.00 H new ATOM 0 HB THR A 7 13.697 0.575 -10.370 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.578 -0.027 -9.146 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.629 2.798 -9.234 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.044 1.989 -9.224 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.046 2.001 -7.753 1.00 0.00 H new ATOM 103 N ASP A 8 11.191 -1.431 -10.195 1.00 0.00 N ATOM 104 CA ASP A 8 9.800 -1.702 -10.562 1.00 0.00 C ATOM 105 C ASP A 8 9.135 -2.738 -9.659 1.00 0.00 C ATOM 106 O ASP A 8 7.989 -2.564 -9.247 1.00 0.00 O ATOM 107 CB ASP A 8 9.755 -2.150 -12.016 1.00 0.00 C ATOM 108 CG ASP A 8 8.318 -2.328 -12.524 1.00 0.00 C ATOM 109 OD1 ASP A 8 7.657 -1.313 -12.850 1.00 0.00 O ATOM 110 OD2 ASP A 8 7.855 -3.491 -12.602 1.00 0.00 O ATOM 0 H ASP A 8 11.871 -1.904 -10.790 1.00 0.00 H new ATOM 0 HA ASP A 8 9.233 -0.781 -10.430 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.270 -1.416 -12.636 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.295 -3.091 -12.121 1.00 0.00 H new ATOM 115 N SER A 9 9.877 -3.774 -9.280 1.00 0.00 N ATOM 116 CA SER A 9 9.433 -4.716 -8.247 1.00 0.00 C ATOM 117 C SER A 9 9.268 -4.021 -6.894 1.00 0.00 C ATOM 118 O SER A 9 8.296 -4.268 -6.183 1.00 0.00 O ATOM 119 CB SER A 9 10.402 -5.901 -8.139 1.00 0.00 C ATOM 120 OG SER A 9 10.359 -6.683 -9.326 1.00 0.00 O ATOM 0 H SER A 9 10.794 -3.987 -9.673 1.00 0.00 H new ATOM 0 HA SER A 9 8.456 -5.099 -8.543 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.416 -5.537 -7.972 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.139 -6.517 -7.279 1.00 0.00 H new ATOM 0 HG SER A 9 10.983 -7.435 -9.245 1.00 0.00 H new ATOM 126 N TYR A 10 10.149 -3.069 -6.587 1.00 0.00 N ATOM 127 CA TYR A 10 10.058 -2.210 -5.404 1.00 0.00 C ATOM 128 C TYR A 10 8.837 -1.287 -5.455 1.00 0.00 C ATOM 129 O TYR A 10 8.142 -1.112 -4.452 1.00 0.00 O ATOM 130 CB TYR A 10 11.352 -1.396 -5.291 1.00 0.00 C ATOM 131 CG TYR A 10 11.549 -0.650 -3.985 1.00 0.00 C ATOM 132 CD1 TYR A 10 11.680 -1.365 -2.777 1.00 0.00 C ATOM 133 CD2 TYR A 10 11.657 0.755 -3.984 1.00 0.00 C ATOM 134 CE1 TYR A 10 11.908 -0.678 -1.569 1.00 0.00 C ATOM 135 CE2 TYR A 10 11.899 1.444 -2.782 1.00 0.00 C ATOM 136 CZ TYR A 10 12.022 0.729 -1.571 1.00 0.00 C ATOM 137 OH TYR A 10 12.225 1.406 -0.409 1.00 0.00 O ATOM 0 H TYR A 10 10.964 -2.868 -7.166 1.00 0.00 H new ATOM 0 HA TYR A 10 9.933 -2.839 -4.523 1.00 0.00 H new ATOM 0 HB2 TYR A 10 12.197 -2.070 -5.434 1.00 0.00 H new ATOM 0 HB3 TYR A 10 11.378 -0.674 -6.108 1.00 0.00 H new ATOM 0 HD1 TYR A 10 11.605 -2.442 -2.778 1.00 0.00 H new ATOM 0 HD2 TYR A 10 11.554 1.304 -4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 10 11.995 -1.227 -0.643 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.991 2.520 -2.785 1.00 0.00 H new ATOM 0 HH TYR A 10 12.978 2.024 -0.518 1.00 0.00 H new ATOM 147 N SER A 11 8.521 -0.751 -6.638 1.00 0.00 N ATOM 148 CA SER A 11 7.302 0.017 -6.873 1.00 0.00 C ATOM 149 C SER A 11 6.040 -0.836 -6.669 1.00 0.00 C ATOM 150 O SER A 11 5.107 -0.398 -5.995 1.00 0.00 O ATOM 151 CB SER A 11 7.344 0.611 -8.281 1.00 0.00 C ATOM 152 OG SER A 11 8.430 1.513 -8.428 1.00 0.00 O ATOM 0 H SER A 11 9.112 -0.841 -7.465 1.00 0.00 H new ATOM 0 HA SER A 11 7.254 0.824 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.433 -0.191 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.408 1.129 -8.487 1.00 0.00 H new ATOM 0 HG SER A 11 9.247 1.011 -8.628 1.00 0.00 H new ATOM 158 N ARG A 12 6.013 -2.082 -7.164 1.00 0.00 N ATOM 159 CA ARG A 12 4.940 -3.058 -6.932 1.00 0.00 C ATOM 160 C ARG A 12 4.770 -3.487 -5.476 1.00 0.00 C ATOM 161 O ARG A 12 3.636 -3.686 -5.035 1.00 0.00 O ATOM 162 CB ARG A 12 5.173 -4.230 -7.878 1.00 0.00 C ATOM 163 CG ARG A 12 4.778 -3.746 -9.283 1.00 0.00 C ATOM 164 CD ARG A 12 4.849 -4.888 -10.272 1.00 0.00 C ATOM 165 NE ARG A 12 6.189 -5.052 -10.866 1.00 0.00 N ATOM 166 CZ ARG A 12 7.105 -5.960 -10.604 1.00 0.00 C ATOM 167 NH1 ARG A 12 6.943 -6.928 -9.745 1.00 0.00 N ATOM 168 NH2 ARG A 12 8.246 -5.878 -11.211 1.00 0.00 N ATOM 0 H ARG A 12 6.760 -2.449 -7.754 1.00 0.00 H new ATOM 0 HA ARG A 12 3.984 -2.581 -7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.216 -4.544 -7.856 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.574 -5.091 -7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.768 -3.336 -9.263 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.443 -2.942 -9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.563 -5.813 -9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.123 -4.719 -11.067 1.00 0.00 H new ATOM 0 HE ARG A 12 6.441 -4.367 -11.578 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.066 -7.012 -9.231 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.693 -7.601 -9.587 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.418 -5.122 -11.874 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.973 -6.569 -11.026 1.00 0.00 H new ATOM 182 N TYR A 13 5.846 -3.544 -4.695 1.00 0.00 N ATOM 183 CA TYR A 13 5.764 -3.733 -3.249 1.00 0.00 C ATOM 184 C TYR A 13 5.163 -2.499 -2.551 1.00 0.00 C ATOM 185 O TYR A 13 4.262 -2.636 -1.723 1.00 0.00 O ATOM 186 CB TYR A 13 7.155 -4.064 -2.687 1.00 0.00 C ATOM 187 CG TYR A 13 7.888 -5.272 -3.261 1.00 0.00 C ATOM 188 CD1 TYR A 13 7.195 -6.372 -3.811 1.00 0.00 C ATOM 189 CD2 TYR A 13 9.299 -5.285 -3.234 1.00 0.00 C ATOM 190 CE1 TYR A 13 7.907 -7.455 -4.364 1.00 0.00 C ATOM 191 CE2 TYR A 13 10.015 -6.364 -3.788 1.00 0.00 C ATOM 192 CZ TYR A 13 9.319 -7.449 -4.361 1.00 0.00 C ATOM 193 OH TYR A 13 10.000 -8.495 -4.904 1.00 0.00 O ATOM 0 H TYR A 13 6.800 -3.460 -5.047 1.00 0.00 H new ATOM 0 HA TYR A 13 5.095 -4.570 -3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.790 -3.189 -2.829 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.054 -4.214 -1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.115 -6.384 -3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.834 -4.461 -2.785 1.00 0.00 H new ATOM 0 HE1 TYR A 13 7.372 -8.291 -4.791 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.095 -6.361 -3.774 1.00 0.00 H new ATOM 0 HH TYR A 13 10.964 -8.336 -4.823 1.00 0.00 H new ATOM 203 N ARG A 14 5.575 -1.282 -2.933 1.00 0.00 N ATOM 204 CA ARG A 14 4.983 -0.018 -2.452 1.00 0.00 C ATOM 205 C ARG A 14 3.499 0.154 -2.808 1.00 0.00 C ATOM 206 O ARG A 14 2.772 0.800 -2.055 1.00 0.00 O ATOM 207 CB ARG A 14 5.819 1.165 -2.943 1.00 0.00 C ATOM 208 CG ARG A 14 7.100 1.266 -2.104 1.00 0.00 C ATOM 209 CD ARG A 14 7.957 2.400 -2.650 1.00 0.00 C ATOM 210 NE ARG A 14 9.119 2.663 -1.779 1.00 0.00 N ATOM 211 CZ ARG A 14 9.267 3.638 -0.898 1.00 0.00 C ATOM 212 NH1 ARG A 14 8.350 4.542 -0.685 1.00 0.00 N ATOM 213 NH2 ARG A 14 10.359 3.723 -0.196 1.00 0.00 N ATOM 0 H ARG A 14 6.339 -1.142 -3.594 1.00 0.00 H new ATOM 0 HA ARG A 14 5.006 -0.054 -1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.070 1.035 -3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.245 2.088 -2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.853 1.450 -1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.650 0.326 -2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.302 2.148 -3.653 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.354 3.304 -2.738 1.00 0.00 H new ATOM 0 HE ARG A 14 9.902 2.015 -1.867 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.475 4.514 -1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.508 5.276 0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.103 3.037 -0.325 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.471 4.476 0.483 1.00 0.00 H new ATOM 227 N LYS A 15 3.017 -0.470 -3.888 1.00 0.00 N ATOM 228 CA LYS A 15 1.584 -0.530 -4.244 1.00 0.00 C ATOM 229 C LYS A 15 0.768 -1.318 -3.216 1.00 0.00 C ATOM 230 O LYS A 15 -0.297 -0.866 -2.802 1.00 0.00 O ATOM 231 CB LYS A 15 1.413 -1.116 -5.663 1.00 0.00 C ATOM 232 CG LYS A 15 1.101 -0.070 -6.743 1.00 0.00 C ATOM 233 CD LYS A 15 2.177 1.011 -6.918 1.00 0.00 C ATOM 234 CE LYS A 15 1.711 2.035 -7.960 1.00 0.00 C ATOM 235 NZ LYS A 15 2.709 3.121 -8.147 1.00 0.00 N ATOM 0 H LYS A 15 3.616 -0.957 -4.554 1.00 0.00 H new ATOM 0 HA LYS A 15 1.195 0.488 -4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.326 -1.645 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.611 -1.854 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.961 -0.581 -7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.155 0.414 -6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.368 1.506 -5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.116 0.556 -7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.537 1.533 -8.912 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.759 2.465 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.360 3.794 -8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.856 3.616 -7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.610 2.713 -8.469 1.00 0.00 H new ATOM 249 N GLN A 16 1.289 -2.450 -2.743 1.00 0.00 N ATOM 250 CA GLN A 16 0.680 -3.221 -1.651 1.00 0.00 C ATOM 251 C GLN A 16 0.695 -2.442 -0.328 1.00 0.00 C ATOM 252 O GLN A 16 -0.285 -2.473 0.417 1.00 0.00 O ATOM 253 CB GLN A 16 1.421 -4.557 -1.485 1.00 0.00 C ATOM 254 CG GLN A 16 1.338 -5.485 -2.707 1.00 0.00 C ATOM 255 CD GLN A 16 0.003 -6.216 -2.840 1.00 0.00 C ATOM 256 OE1 GLN A 16 -1.066 -5.740 -2.481 1.00 0.00 O ATOM 257 NE2 GLN A 16 0.011 -7.426 -3.356 1.00 0.00 N ATOM 0 H GLN A 16 2.149 -2.862 -3.106 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.362 -3.408 -1.911 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.470 -4.353 -1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.014 -5.079 -0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.511 -4.898 -3.609 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.140 -6.221 -2.647 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.890 -7.844 -3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.861 -7.946 -3.450 1.00 0.00 H new ATOM 266 N MET A 17 1.764 -1.688 -0.045 1.00 0.00 N ATOM 267 CA MET A 17 1.843 -0.817 1.133 1.00 0.00 C ATOM 268 C MET A 17 0.810 0.314 1.096 1.00 0.00 C ATOM 269 O MET A 17 0.145 0.582 2.097 1.00 0.00 O ATOM 270 CB MET A 17 3.252 -0.238 1.266 1.00 0.00 C ATOM 271 CG MET A 17 4.345 -1.286 1.485 1.00 0.00 C ATOM 272 SD MET A 17 4.220 -2.286 3.000 1.00 0.00 S ATOM 273 CE MET A 17 3.377 -3.765 2.363 1.00 0.00 C ATOM 0 H MET A 17 2.600 -1.665 -0.628 1.00 0.00 H new ATOM 0 HA MET A 17 1.616 -1.432 2.003 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.485 0.330 0.366 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.266 0.465 2.099 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.346 -1.962 0.630 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.309 -0.777 1.491 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.596 -4.615 3.009 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.301 -3.591 2.344 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.728 -3.977 1.353 1.00 0.00 H new ATOM 283 N ALA A 18 0.625 0.934 -0.070 1.00 0.00 N ATOM 284 CA ALA A 18 -0.409 1.945 -0.306 1.00 0.00 C ATOM 285 C ALA A 18 -1.822 1.415 -0.009 1.00 0.00 C ATOM 286 O ALA A 18 -2.624 2.104 0.621 1.00 0.00 O ATOM 287 CB ALA A 18 -0.289 2.472 -1.741 1.00 0.00 C ATOM 0 H ALA A 18 1.199 0.745 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.248 2.770 0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.058 3.224 -1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.695 2.918 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.419 1.648 -2.443 1.00 0.00 H new ATOM 293 N VAL A 19 -2.102 0.161 -0.376 1.00 0.00 N ATOM 294 CA VAL A 19 -3.350 -0.535 -0.016 1.00 0.00 C ATOM 295 C VAL A 19 -3.500 -0.671 1.503 1.00 0.00 C ATOM 296 O VAL A 19 -4.557 -0.322 2.028 1.00 0.00 O ATOM 297 CB VAL A 19 -3.458 -1.891 -0.743 1.00 0.00 C ATOM 298 CG1 VAL A 19 -4.632 -2.752 -0.272 1.00 0.00 C ATOM 299 CG2 VAL A 19 -3.621 -1.664 -2.251 1.00 0.00 C ATOM 0 H VAL A 19 -1.467 -0.408 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.187 0.076 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.536 -2.424 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.642 -3.689 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.525 -2.963 0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.567 -2.218 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.697 -2.626 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.525 -1.084 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.757 -1.120 -2.633 1.00 0.00 H new ATOM 309 N LYS A 20 -2.458 -1.078 2.248 1.00 0.00 N ATOM 310 CA LYS A 20 -2.531 -1.210 3.728 1.00 0.00 C ATOM 311 C LYS A 20 -2.889 0.115 4.390 1.00 0.00 C ATOM 312 O LYS A 20 -3.646 0.163 5.359 1.00 0.00 O ATOM 313 CB LYS A 20 -1.218 -1.717 4.351 1.00 0.00 C ATOM 314 CG LYS A 20 -0.574 -2.950 3.716 1.00 0.00 C ATOM 315 CD LYS A 20 -1.539 -3.996 3.179 1.00 0.00 C ATOM 316 CE LYS A 20 -2.200 -4.687 4.361 1.00 0.00 C ATOM 317 NZ LYS A 20 -3.114 -5.778 3.934 1.00 0.00 N ATOM 0 H LYS A 20 -1.549 -1.324 1.856 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.313 -1.947 3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.493 -0.904 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.406 -1.937 5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.068 -2.621 2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.070 -3.423 4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.291 -3.528 2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.008 -4.722 2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.431 -5.095 5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.759 -3.954 4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.542 -6.220 4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.863 -5.386 3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.577 -6.492 3.402 1.00 0.00 H new ATOM 331 N LYS A 21 -2.349 1.186 3.819 1.00 0.00 N ATOM 332 CA LYS A 21 -2.568 2.580 4.241 1.00 0.00 C ATOM 333 C LYS A 21 -3.986 3.073 3.933 1.00 0.00 C ATOM 334 O LYS A 21 -4.539 3.845 4.716 1.00 0.00 O ATOM 335 CB LYS A 21 -1.505 3.483 3.601 1.00 0.00 C ATOM 336 CG LYS A 21 -0.109 3.186 4.177 1.00 0.00 C ATOM 337 CD LYS A 21 1.018 3.724 3.290 1.00 0.00 C ATOM 338 CE LYS A 21 0.957 5.248 3.125 1.00 0.00 C ATOM 339 NZ LYS A 21 2.093 5.755 2.314 1.00 0.00 N ATOM 0 H LYS A 21 -1.721 1.113 3.018 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.467 2.624 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.497 3.332 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.759 4.529 3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.028 3.628 5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.010 2.109 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.980 3.446 3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.961 3.253 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.017 5.526 2.649 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.970 5.722 4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.020 6.788 2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.989 5.511 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.066 5.321 1.369 1.00 0.00 H new ATOM 353 N TYR A 22 -4.615 2.588 2.861 1.00 0.00 N ATOM 354 CA TYR A 22 -6.034 2.829 2.580 1.00 0.00 C ATOM 355 C TYR A 22 -6.950 2.094 3.572 1.00 0.00 C ATOM 356 O TYR A 22 -7.890 2.703 4.083 1.00 0.00 O ATOM 357 CB TYR A 22 -6.382 2.419 1.144 1.00 0.00 C ATOM 358 CG TYR A 22 -5.608 3.073 0.004 1.00 0.00 C ATOM 359 CD1 TYR A 22 -5.065 4.372 0.120 1.00 0.00 C ATOM 360 CD2 TYR A 22 -5.449 2.361 -1.203 1.00 0.00 C ATOM 361 CE1 TYR A 22 -4.335 4.934 -0.946 1.00 0.00 C ATOM 362 CE2 TYR A 22 -4.717 2.916 -2.269 1.00 0.00 C ATOM 363 CZ TYR A 22 -4.152 4.203 -2.141 1.00 0.00 C ATOM 364 OH TYR A 22 -3.443 4.736 -3.172 1.00 0.00 O ATOM 0 H TYR A 22 -4.152 2.013 2.158 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.204 3.899 2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.247 1.340 1.063 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -7.442 2.621 0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.210 4.936 1.029 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.893 1.382 -1.310 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.915 5.924 -0.850 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.588 2.358 -3.184 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.415 4.097 -3.915 1.00 0.00 H new ATOM 374 N LEU A 23 -6.672 0.826 3.914 1.00 0.00 N ATOM 375 CA LEU A 23 -7.361 0.130 5.009 1.00 0.00 C ATOM 376 C LEU A 23 -7.192 0.858 6.351 1.00 0.00 C ATOM 377 O LEU A 23 -8.167 1.076 7.070 1.00 0.00 O ATOM 378 CB LEU A 23 -6.907 -1.344 5.105 1.00 0.00 C ATOM 379 CG LEU A 23 -7.494 -2.337 4.077 1.00 0.00 C ATOM 380 CD1 LEU A 23 -8.977 -2.106 3.798 1.00 0.00 C ATOM 381 CD2 LEU A 23 -6.781 -2.293 2.732 1.00 0.00 C ATOM 0 H LEU A 23 -5.968 0.259 3.442 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.426 0.137 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.821 -1.369 5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.152 -1.708 6.103 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.348 -3.308 4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.328 -2.836 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.543 -2.217 4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.121 -1.100 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.239 -3.013 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.864 -1.292 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.729 -2.543 2.870 1.00 0.00 H new ATOM 393 N ALA A 24 -5.980 1.311 6.660 1.00 0.00 N ATOM 394 CA ALA A 24 -5.692 2.101 7.860 1.00 0.00 C ATOM 395 C ALA A 24 -6.448 3.442 7.901 1.00 0.00 C ATOM 396 O ALA A 24 -6.841 3.893 8.977 1.00 0.00 O ATOM 397 CB ALA A 24 -4.179 2.318 7.965 1.00 0.00 C ATOM 0 H ALA A 24 -5.159 1.139 6.080 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.049 1.537 8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.957 2.905 8.856 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.677 1.353 8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.826 2.850 7.082 1.00 0.00 H new ATOM 403 N ALA A 25 -6.703 4.062 6.746 1.00 0.00 N ATOM 404 CA ALA A 25 -7.495 5.286 6.649 1.00 0.00 C ATOM 405 C ALA A 25 -8.963 5.110 7.081 1.00 0.00 C ATOM 406 O ALA A 25 -9.530 6.027 7.680 1.00 0.00 O ATOM 407 CB ALA A 25 -7.396 5.835 5.219 1.00 0.00 C ATOM 0 H ALA A 25 -6.362 3.724 5.846 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.077 6.003 7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.985 6.749 5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.354 6.053 4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.779 5.094 4.517 1.00 0.00 H new ATOM 413 N VAL A 26 -9.575 3.943 6.831 1.00 0.00 N ATOM 414 CA VAL A 26 -10.969 3.663 7.255 1.00 0.00 C ATOM 415 C VAL A 26 -11.049 3.432 8.760 1.00 0.00 C ATOM 416 O VAL A 26 -11.943 3.949 9.431 1.00 0.00 O ATOM 417 CB VAL A 26 -11.667 2.516 6.483 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.060 2.311 5.096 1.00 0.00 C ATOM 419 CG2 VAL A 26 -11.690 1.125 7.141 1.00 0.00 C ATOM 0 H VAL A 26 -9.130 3.170 6.336 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.527 4.563 6.996 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.693 2.882 6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.578 1.498 4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.164 3.227 4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.003 2.062 5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.210 0.423 6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.668 0.782 7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.208 1.184 8.098 1.00 0.00 H new ATOM 429 N LEU A 27 -10.065 2.713 9.304 1.00 0.00 N ATOM 430 CA LEU A 27 -9.880 2.524 10.740 1.00 0.00 C ATOM 431 C LEU A 27 -9.628 3.861 11.454 1.00 0.00 C ATOM 432 O LEU A 27 -10.143 4.102 12.546 1.00 0.00 O ATOM 433 CB LEU A 27 -8.710 1.549 10.922 1.00 0.00 C ATOM 434 CG LEU A 27 -8.947 0.161 10.296 1.00 0.00 C ATOM 435 CD1 LEU A 27 -7.679 -0.668 10.434 1.00 0.00 C ATOM 436 CD2 LEU A 27 -10.124 -0.569 10.933 1.00 0.00 C ATOM 0 H LEU A 27 -9.359 2.236 8.743 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.783 2.113 11.192 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.814 1.987 10.482 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.515 1.427 11.987 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.195 0.303 9.244 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.838 -1.652 9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.859 -0.168 9.918 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.430 -0.779 11.489 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.250 -1.542 10.457 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.933 -0.708 11.997 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.032 0.020 10.801 1.00 0.00 H new ATOM 448 N GLY A 28 -8.914 4.767 10.786 1.00 0.00 N ATOM 449 CA GLY A 28 -8.733 6.164 11.177 1.00 0.00 C ATOM 450 C GLY A 28 -10.039 6.940 11.383 1.00 0.00 C ATOM 451 O GLY A 28 -10.115 7.752 12.306 1.00 0.00 O ATOM 0 H GLY A 28 -8.425 4.537 9.921 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.155 6.198 12.101 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.142 6.669 10.413 1.00 0.00 H new ATOM 455 N LYS A 29 -11.097 6.675 10.595 1.00 0.00 N ATOM 456 CA LYS A 29 -12.414 7.321 10.789 1.00 0.00 C ATOM 457 C LYS A 29 -13.075 6.882 12.099 1.00 0.00 C ATOM 458 O LYS A 29 -13.726 7.686 12.768 1.00 0.00 O ATOM 459 CB LYS A 29 -13.363 7.044 9.605 1.00 0.00 C ATOM 460 CG LYS A 29 -12.777 7.288 8.205 1.00 0.00 C ATOM 461 CD LYS A 29 -12.150 8.676 8.006 1.00 0.00 C ATOM 462 CE LYS A 29 -11.577 8.773 6.589 1.00 0.00 C ATOM 463 NZ LYS A 29 -10.940 10.093 6.345 1.00 0.00 N ATOM 0 H LYS A 29 -11.068 6.017 9.816 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.228 8.394 10.841 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.693 6.007 9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.249 7.668 9.721 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.020 6.530 8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.567 7.152 7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.899 9.452 8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.363 8.841 8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.844 7.981 6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.373 8.613 5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.563 10.123 5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.646 10.847 6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.164 10.235 7.023 1.00 0.00 H new ATOM 477 N ARG A 30 -12.867 5.620 12.494 1.00 0.00 N ATOM 478 CA ARG A 30 -13.371 5.047 13.757 1.00 0.00 C ATOM 479 C ARG A 30 -12.525 5.429 14.970 1.00 0.00 C ATOM 480 O ARG A 30 -13.072 5.575 16.060 1.00 0.00 O ATOM 481 CB ARG A 30 -13.488 3.515 13.644 1.00 0.00 C ATOM 482 CG ARG A 30 -14.449 3.026 12.543 1.00 0.00 C ATOM 483 CD ARG A 30 -15.851 3.655 12.584 1.00 0.00 C ATOM 484 NE ARG A 30 -16.512 3.480 13.895 1.00 0.00 N ATOM 485 CZ ARG A 30 -17.666 4.003 14.269 1.00 0.00 C ATOM 486 NH1 ARG A 30 -18.390 4.736 13.470 1.00 0.00 N ATOM 487 NH2 ARG A 30 -18.122 3.799 15.472 1.00 0.00 N ATOM 0 H ARG A 30 -12.334 4.952 11.937 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.359 5.476 13.920 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.498 3.101 13.454 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.822 3.117 14.602 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.001 3.234 11.571 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.549 1.944 12.623 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -15.775 4.719 12.358 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.470 3.207 11.806 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.029 2.897 14.579 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.070 4.923 12.520 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -19.276 5.123 13.795 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.587 3.233 16.131 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -19.014 4.205 15.755 1.00 0.00 H new ATOM 501 N TYR A 31 -11.227 5.673 14.790 1.00 0.00 N ATOM 502 CA TYR A 31 -10.346 6.184 15.847 1.00 0.00 C ATOM 503 C TYR A 31 -10.804 7.547 16.400 1.00 0.00 C ATOM 504 O TYR A 31 -10.664 7.810 17.596 1.00 0.00 O ATOM 505 CB TYR A 31 -8.905 6.244 15.322 1.00 0.00 C ATOM 506 CG TYR A 31 -7.875 6.547 16.394 1.00 0.00 C ATOM 507 CD1 TYR A 31 -7.455 5.527 17.270 1.00 0.00 C ATOM 508 CD2 TYR A 31 -7.348 7.849 16.526 1.00 0.00 C ATOM 509 CE1 TYR A 31 -6.512 5.806 18.279 1.00 0.00 C ATOM 510 CE2 TYR A 31 -6.403 8.131 17.533 1.00 0.00 C ATOM 511 CZ TYR A 31 -5.984 7.108 18.414 1.00 0.00 C ATOM 512 OH TYR A 31 -5.072 7.370 19.390 1.00 0.00 O ATOM 0 H TYR A 31 -10.751 5.521 13.901 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.396 5.494 16.690 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.659 5.291 14.854 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.843 7.006 14.545 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.856 4.530 17.168 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -7.669 8.631 15.854 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.193 5.022 18.950 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -5.999 9.128 17.631 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.808 8.313 19.346 1.00 0.00 H new ATOM 522 N LYS A 32 -11.426 8.387 15.559 1.00 0.00 N ATOM 523 CA LYS A 32 -12.043 9.666 15.962 1.00 0.00 C ATOM 524 C LYS A 32 -13.254 9.426 16.854 1.00 0.00 C ATOM 525 O LYS A 32 -13.353 9.945 17.963 1.00 0.00 O ATOM 526 CB LYS A 32 -12.477 10.467 14.723 1.00 0.00 C ATOM 527 CG LYS A 32 -11.333 10.783 13.749 1.00 0.00 C ATOM 528 CD LYS A 32 -11.891 11.219 12.389 1.00 0.00 C ATOM 529 CE LYS A 32 -12.549 12.604 12.453 1.00 0.00 C ATOM 530 NZ LYS A 32 -13.030 13.040 11.117 1.00 0.00 N ATOM 0 H LYS A 32 -11.518 8.196 14.561 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.298 10.234 16.519 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.247 9.907 14.193 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.931 11.403 15.049 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.704 11.573 14.161 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.700 9.904 13.624 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.085 11.234 11.655 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.621 10.486 12.045 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.385 12.579 13.152 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.834 13.331 12.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.469 13.979 11.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.227 13.087 10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.731 12.359 10.761 1.00 0.00 H new ATOM 544 N GLN A 33 -14.153 8.586 16.357 1.00 0.00 N ATOM 545 CA GLN A 33 -15.397 8.190 17.027 1.00 0.00 C ATOM 546 C GLN A 33 -15.168 7.588 18.420 1.00 0.00 C ATOM 547 O GLN A 33 -15.767 8.038 19.398 1.00 0.00 O ATOM 548 CB GLN A 33 -16.166 7.223 16.145 1.00 0.00 C ATOM 549 CG GLN A 33 -16.727 7.983 14.939 1.00 0.00 C ATOM 550 CD GLN A 33 -17.825 9.001 15.263 1.00 0.00 C ATOM 551 OE1 GLN A 33 -18.634 8.834 16.167 1.00 0.00 O ATOM 552 NE2 GLN A 33 -17.893 10.101 14.544 1.00 0.00 N ATOM 0 H GLN A 33 -14.037 8.143 15.445 1.00 0.00 H new ATOM 0 HA GLN A 33 -15.982 9.096 17.182 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -15.512 6.417 15.811 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -16.977 6.762 16.710 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.907 8.503 14.444 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.123 7.260 14.226 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -17.228 10.257 13.787 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.611 10.797 14.744 1.00 0.00 H new ATOM 561 N ARG A 34 -14.242 6.625 18.529 1.00 0.00 N ATOM 562 CA ARG A 34 -13.817 5.983 19.789 1.00 0.00 C ATOM 563 C ARG A 34 -13.173 6.932 20.810 1.00 0.00 C ATOM 564 O ARG A 34 -13.045 6.565 21.979 1.00 0.00 O ATOM 565 CB ARG A 34 -12.868 4.817 19.455 1.00 0.00 C ATOM 566 CG ARG A 34 -13.559 3.652 18.727 1.00 0.00 C ATOM 567 CD ARG A 34 -14.477 2.846 19.656 1.00 0.00 C ATOM 568 NE ARG A 34 -15.030 1.658 18.976 1.00 0.00 N ATOM 569 CZ ARG A 34 -15.904 0.802 19.477 1.00 0.00 C ATOM 570 NH1 ARG A 34 -16.397 0.933 20.677 1.00 0.00 N ATOM 571 NH2 ARG A 34 -16.305 -0.218 18.774 1.00 0.00 N ATOM 0 H ARG A 34 -13.749 6.256 17.716 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.722 5.625 20.280 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.052 5.189 18.835 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.423 4.445 20.378 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.142 4.043 17.893 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.802 2.991 18.305 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.919 2.534 20.539 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.293 3.480 20.002 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.706 1.480 18.025 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -16.110 1.717 21.264 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -17.070 0.252 21.029 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.945 -0.360 17.831 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.980 -0.875 19.167 1.00 0.00 H new ATOM 585 N VAL A 35 -12.819 8.149 20.395 1.00 0.00 N ATOM 586 CA VAL A 35 -12.288 9.216 21.267 1.00 0.00 C ATOM 587 C VAL A 35 -13.373 10.241 21.607 1.00 0.00 C ATOM 588 O VAL A 35 -13.530 10.586 22.780 1.00 0.00 O ATOM 589 CB VAL A 35 -11.035 9.866 20.646 1.00 0.00 C ATOM 590 CG1 VAL A 35 -10.575 11.130 21.386 1.00 0.00 C ATOM 591 CG2 VAL A 35 -9.859 8.877 20.667 1.00 0.00 C ATOM 0 H VAL A 35 -12.893 8.435 19.419 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.975 8.766 22.209 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.320 10.139 19.630 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.690 11.536 20.897 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.372 11.873 21.368 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.336 10.880 22.420 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.980 9.347 20.226 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.641 8.593 21.696 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.121 7.988 20.093 1.00 0.00 H new ATOM 601 N LYS A 36 -14.203 10.660 20.642 1.00 0.00 N ATOM 602 CA LYS A 36 -15.376 11.528 20.884 1.00 0.00 C ATOM 603 C LYS A 36 -16.425 10.905 21.815 1.00 0.00 C ATOM 604 O LYS A 36 -17.116 11.619 22.544 1.00 0.00 O ATOM 605 CB LYS A 36 -16.008 11.953 19.546 1.00 0.00 C ATOM 606 CG LYS A 36 -15.104 12.930 18.777 1.00 0.00 C ATOM 607 CD LYS A 36 -15.789 13.426 17.497 1.00 0.00 C ATOM 608 CE LYS A 36 -14.885 14.435 16.780 1.00 0.00 C ATOM 609 NZ LYS A 36 -15.562 15.030 15.598 1.00 0.00 N ATOM 0 H LYS A 36 -14.083 10.407 19.661 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.006 12.409 21.408 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.194 11.070 18.934 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.975 12.421 19.732 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.857 13.780 19.414 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.165 12.438 18.523 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.003 12.584 16.839 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.744 13.890 17.742 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.600 15.226 17.473 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.966 13.941 16.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.923 15.708 15.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.812 14.277 14.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -16.426 15.522 15.904 1.00 0.00 H new ATOM 623 N ASN A 37 -16.494 9.577 21.836 1.00 0.00 N ATOM 624 CA ASN A 37 -17.328 8.770 22.736 1.00 0.00 C ATOM 625 C ASN A 37 -16.783 8.657 24.182 1.00 0.00 C ATOM 626 O ASN A 37 -17.478 8.139 25.061 1.00 0.00 O ATOM 627 CB ASN A 37 -17.489 7.383 22.083 1.00 0.00 C ATOM 628 CG ASN A 37 -18.500 6.495 22.794 1.00 0.00 C ATOM 629 OD1 ASN A 37 -19.683 6.800 22.876 1.00 0.00 O ATOM 630 ND2 ASN A 37 -18.080 5.363 23.315 1.00 0.00 N ATOM 0 H ASN A 37 -15.945 9.002 21.197 1.00 0.00 H new ATOM 0 HA ASN A 37 -18.289 9.269 22.858 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -17.796 7.512 21.045 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.521 6.881 22.070 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.739 4.743 23.785 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.095 5.105 23.249 1.00 0.00 H new ATOM 637 N LYS A 38 -15.556 9.136 24.447 1.00 0.00 N ATOM 638 CA LYS A 38 -14.812 8.913 25.703 1.00 0.00 C ATOM 639 C LYS A 38 -14.252 10.196 26.345 1.00 0.00 C ATOM 640 O LYS A 38 -14.095 10.260 27.564 1.00 0.00 O ATOM 641 CB LYS A 38 -13.703 7.890 25.384 1.00 0.00 C ATOM 642 CG LYS A 38 -12.899 7.373 26.586 1.00 0.00 C ATOM 643 CD LYS A 38 -13.761 6.625 27.614 1.00 0.00 C ATOM 644 CE LYS A 38 -12.867 6.023 28.705 1.00 0.00 C ATOM 645 NZ LYS A 38 -13.667 5.300 29.727 1.00 0.00 N ATOM 0 H LYS A 38 -15.038 9.705 23.777 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.497 8.533 26.461 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.157 7.036 24.881 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.009 8.344 24.676 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.112 6.709 26.230 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.409 8.214 27.076 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.485 7.307 28.060 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.329 5.836 27.120 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.149 5.339 28.252 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.293 6.816 29.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.032 4.905 30.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.335 5.959 30.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.195 4.528 29.272 1.00 0.00 H new HETATM 659 N NH2 A 39 -13.988 11.242 25.577 1.00 0.00 N TER 662 NH2 A 39