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= -0.0341 K(o=-0.034,f=-3.8!) USER MOD Single : A 1 HIS N :NH3+ -138:sc= 1.26 (180deg=0.124) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -45:sc= 1.33 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 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= 0.0574 K(o=0.057,f=-0.49) USER MOD Single : A 17 MET CE :methyl 174:sc= -0.0757 (180deg=-0.122) 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= 0.827 K(o=0.83,f=-4.9!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc=-0.00305 X(o=-0.0031,f=-0.0031) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 20.669 -12.363 -7.127 1.00 0.00 N ATOM 2 CA HIS A 1 19.977 -11.759 -5.960 1.00 0.00 C ATOM 3 C HIS A 1 19.217 -10.483 -6.339 1.00 0.00 C ATOM 4 O HIS A 1 17.995 -10.442 -6.183 1.00 0.00 O ATOM 5 CB HIS A 1 20.932 -11.538 -4.768 1.00 0.00 C ATOM 6 CG HIS A 1 22.068 -10.568 -5.020 1.00 0.00 C ATOM 7 ND1 HIS A 1 22.781 -10.442 -6.218 1.00 0.00 N ATOM 8 CD2 HIS A 1 22.537 -9.643 -4.134 1.00 0.00 C ATOM 9 CE1 HIS A 1 23.669 -9.451 -6.021 1.00 0.00 C ATOM 10 NE2 HIS A 1 23.542 -8.953 -4.779 1.00 0.00 N ATOM 0 H1 HIS A 1 20.549 -13.396 -7.105 1.00 0.00 H new ATOM 0 H2 HIS A 1 20.261 -11.985 -8.006 1.00 0.00 H new ATOM 0 H3 HIS A 1 21.682 -12.132 -7.088 1.00 0.00 H new ATOM 0 HA HIS A 1 19.230 -12.481 -5.629 1.00 0.00 H new ATOM 0 HB2 HIS A 1 20.350 -11.178 -3.919 1.00 0.00 H new ATOM 0 HB3 HIS A 1 21.355 -12.500 -4.479 1.00 0.00 H new ATOM 0 HD2 HIS A 1 22.189 -9.482 -3.124 1.00 0.00 H new ATOM 0 HE1 HIS A 1 24.382 -9.105 -6.755 1.00 0.00 H new ATOM 0 HE2 HIS A 1 24.095 -8.194 -4.381 1.00 0.00 H new ATOM 20 N SER A 2 19.907 -9.457 -6.852 1.00 0.00 N ATOM 21 CA SER A 2 19.369 -8.107 -7.125 1.00 0.00 C ATOM 22 C SER A 2 19.670 -7.651 -8.565 1.00 0.00 C ATOM 23 O SER A 2 19.921 -6.476 -8.833 1.00 0.00 O ATOM 24 CB SER A 2 19.899 -7.106 -6.085 1.00 0.00 C ATOM 25 OG SER A 2 19.569 -7.519 -4.767 1.00 0.00 O ATOM 0 H SER A 2 20.893 -9.541 -7.100 1.00 0.00 H new ATOM 0 HA SER A 2 18.283 -8.148 -7.036 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.981 -7.015 -6.181 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.478 -6.119 -6.277 1.00 0.00 H new ATOM 0 HG SER A 2 19.918 -6.868 -4.123 1.00 0.00 H new ATOM 31 N ASP A 3 19.689 -8.611 -9.493 1.00 0.00 N ATOM 32 CA ASP A 3 20.145 -8.489 -10.887 1.00 0.00 C ATOM 33 C ASP A 3 19.418 -7.421 -11.729 1.00 0.00 C ATOM 34 O ASP A 3 20.015 -6.840 -12.639 1.00 0.00 O ATOM 35 CB ASP A 3 19.989 -9.860 -11.562 1.00 0.00 C ATOM 36 CG ASP A 3 20.820 -10.954 -10.872 1.00 0.00 C ATOM 37 OD1 ASP A 3 20.360 -11.490 -9.833 1.00 0.00 O ATOM 38 OD2 ASP A 3 21.929 -11.276 -11.360 1.00 0.00 O ATOM 0 H ASP A 3 19.367 -9.555 -9.281 1.00 0.00 H new ATOM 0 HA ASP A 3 21.182 -8.157 -10.842 1.00 0.00 H new ATOM 0 HB2 ASP A 3 18.938 -10.148 -11.554 1.00 0.00 H new ATOM 0 HB3 ASP A 3 20.291 -9.784 -12.607 1.00 0.00 H new ATOM 43 N GLY A 4 18.142 -7.145 -11.429 1.00 0.00 N ATOM 44 CA GLY A 4 17.369 -6.075 -12.077 1.00 0.00 C ATOM 45 C GLY A 4 15.885 -6.039 -11.733 1.00 0.00 C ATOM 46 O GLY A 4 15.341 -4.978 -11.436 1.00 0.00 O ATOM 0 H GLY A 4 17.613 -7.661 -10.726 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.811 -5.116 -11.806 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.472 -6.179 -13.157 1.00 0.00 H new ATOM 50 N ILE A 5 15.239 -7.203 -11.688 1.00 0.00 N ATOM 51 CA ILE A 5 13.846 -7.420 -11.274 1.00 0.00 C ATOM 52 C ILE A 5 13.543 -6.817 -9.898 1.00 0.00 C ATOM 53 O ILE A 5 12.451 -6.308 -9.637 1.00 0.00 O ATOM 54 CB ILE A 5 13.606 -8.934 -11.301 1.00 0.00 C ATOM 55 CG1 ILE A 5 13.526 -9.462 -12.748 1.00 0.00 C ATOM 56 CG2 ILE A 5 12.407 -9.371 -10.456 1.00 0.00 C ATOM 57 CD1 ILE A 5 12.260 -9.086 -13.525 1.00 0.00 C ATOM 0 H ILE A 5 15.698 -8.074 -11.955 1.00 0.00 H new ATOM 0 HA ILE A 5 13.168 -6.910 -11.958 1.00 0.00 H new ATOM 0 HB ILE A 5 14.474 -9.394 -10.830 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.391 -9.092 -13.298 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.605 -10.549 -12.723 1.00 0.00 H new ATOM 0 HG21 ILE A 5 12.293 -10.453 -10.519 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.569 -9.083 -9.417 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.504 -8.889 -10.829 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.310 -9.509 -14.528 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.385 -9.480 -13.008 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.183 -8.001 -13.592 1.00 0.00 H new ATOM 69 N PHE A 6 14.560 -6.827 -9.039 1.00 0.00 N ATOM 70 CA PHE A 6 14.576 -6.209 -7.710 1.00 0.00 C ATOM 71 C PHE A 6 14.136 -4.737 -7.737 1.00 0.00 C ATOM 72 O PHE A 6 13.476 -4.260 -6.813 1.00 0.00 O ATOM 73 CB PHE A 6 16.005 -6.348 -7.173 1.00 0.00 C ATOM 74 CG PHE A 6 16.249 -5.752 -5.802 1.00 0.00 C ATOM 75 CD1 PHE A 6 15.890 -6.468 -4.644 1.00 0.00 C ATOM 76 CD2 PHE A 6 16.849 -4.482 -5.680 1.00 0.00 C ATOM 77 CE1 PHE A 6 16.129 -5.919 -3.372 1.00 0.00 C ATOM 78 CE2 PHE A 6 17.087 -3.933 -4.406 1.00 0.00 C ATOM 79 CZ PHE A 6 16.727 -4.651 -3.253 1.00 0.00 C ATOM 0 H PHE A 6 15.442 -7.290 -9.260 1.00 0.00 H new ATOM 0 HA PHE A 6 13.859 -6.712 -7.062 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.260 -7.407 -7.140 1.00 0.00 H new ATOM 0 HB3 PHE A 6 16.688 -5.878 -7.881 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.430 -7.441 -4.733 1.00 0.00 H new ATOM 0 HD2 PHE A 6 17.126 -3.930 -6.566 1.00 0.00 H new ATOM 0 HE1 PHE A 6 15.853 -6.471 -2.486 1.00 0.00 H new ATOM 0 HE2 PHE A 6 17.546 -2.960 -4.315 1.00 0.00 H new ATOM 0 HZ PHE A 6 16.909 -4.230 -2.275 1.00 0.00 H new ATOM 89 N THR A 7 14.452 -4.033 -8.827 1.00 0.00 N ATOM 90 CA THR A 7 14.144 -2.611 -9.026 1.00 0.00 C ATOM 91 C THR A 7 12.711 -2.334 -9.497 1.00 0.00 C ATOM 92 O THR A 7 12.279 -1.181 -9.524 1.00 0.00 O ATOM 93 CB THR A 7 15.146 -1.970 -9.996 1.00 0.00 C ATOM 94 OG1 THR A 7 14.946 -2.361 -11.337 1.00 0.00 O ATOM 95 CG2 THR A 7 16.611 -2.228 -9.629 1.00 0.00 C ATOM 0 H THR A 7 14.943 -4.447 -9.619 1.00 0.00 H new ATOM 0 HA THR A 7 14.232 -2.157 -8.039 1.00 0.00 H new ATOM 0 HB THR A 7 14.946 -0.903 -9.899 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.798 -3.329 -11.377 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.260 -1.744 -10.359 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.815 -1.822 -8.638 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.802 -3.301 -9.628 1.00 0.00 H new ATOM 103 N ASP A 8 11.956 -3.385 -9.822 1.00 0.00 N ATOM 104 CA ASP A 8 10.607 -3.317 -10.400 1.00 0.00 C ATOM 105 C ASP A 8 9.555 -3.998 -9.516 1.00 0.00 C ATOM 106 O ASP A 8 8.384 -3.614 -9.512 1.00 0.00 O ATOM 107 CB ASP A 8 10.674 -3.887 -11.819 1.00 0.00 C ATOM 108 CG ASP A 8 9.477 -3.507 -12.702 1.00 0.00 C ATOM 109 OD1 ASP A 8 9.119 -2.308 -12.769 1.00 0.00 O ATOM 110 OD2 ASP A 8 8.900 -4.413 -13.352 1.00 0.00 O ATOM 0 H ASP A 8 12.277 -4.344 -9.686 1.00 0.00 H new ATOM 0 HA ASP A 8 10.275 -2.280 -10.451 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.590 -3.538 -12.297 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.739 -4.973 -11.760 1.00 0.00 H new ATOM 115 N SER A 9 9.982 -4.964 -8.704 1.00 0.00 N ATOM 116 CA SER A 9 9.174 -5.533 -7.618 1.00 0.00 C ATOM 117 C SER A 9 9.097 -4.519 -6.458 1.00 0.00 C ATOM 118 O SER A 9 8.138 -4.503 -5.686 1.00 0.00 O ATOM 119 CB SER A 9 9.794 -6.860 -7.162 1.00 0.00 C ATOM 120 OG SER A 9 8.932 -7.544 -6.269 1.00 0.00 O ATOM 0 H SER A 9 10.910 -5.381 -8.780 1.00 0.00 H new ATOM 0 HA SER A 9 8.161 -5.734 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.997 -7.488 -8.030 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.751 -6.670 -6.676 1.00 0.00 H new ATOM 0 HG SER A 9 9.349 -8.387 -5.994 1.00 0.00 H new ATOM 126 N TYR A 10 10.061 -3.590 -6.384 1.00 0.00 N ATOM 127 CA TYR A 10 10.013 -2.428 -5.491 1.00 0.00 C ATOM 128 C TYR A 10 8.855 -1.484 -5.852 1.00 0.00 C ATOM 129 O TYR A 10 8.218 -0.907 -4.971 1.00 0.00 O ATOM 130 CB TYR A 10 11.345 -1.676 -5.572 1.00 0.00 C ATOM 131 CG TYR A 10 11.538 -0.640 -4.479 1.00 0.00 C ATOM 132 CD1 TYR A 10 11.608 -1.049 -3.132 1.00 0.00 C ATOM 133 CD2 TYR A 10 11.649 0.727 -4.804 1.00 0.00 C ATOM 134 CE1 TYR A 10 11.776 -0.093 -2.110 1.00 0.00 C ATOM 135 CE2 TYR A 10 11.832 1.684 -3.786 1.00 0.00 C ATOM 136 CZ TYR A 10 11.890 1.276 -2.434 1.00 0.00 C ATOM 137 OH TYR A 10 12.058 2.192 -1.444 1.00 0.00 O ATOM 0 H TYR A 10 10.907 -3.627 -6.952 1.00 0.00 H new ATOM 0 HA TYR A 10 9.844 -2.782 -4.474 1.00 0.00 H new ATOM 0 HB2 TYR A 10 12.161 -2.397 -5.523 1.00 0.00 H new ATOM 0 HB3 TYR A 10 11.413 -1.183 -6.542 1.00 0.00 H new ATOM 0 HD1 TYR A 10 11.533 -2.097 -2.882 1.00 0.00 H new ATOM 0 HD2 TYR A 10 11.594 1.042 -5.836 1.00 0.00 H new ATOM 0 HE1 TYR A 10 11.818 -0.408 -1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.928 2.730 -4.039 1.00 0.00 H new ATOM 0 HH TYR A 10 12.120 3.088 -1.835 1.00 0.00 H new ATOM 147 N SER A 11 8.531 -1.374 -7.148 1.00 0.00 N ATOM 148 CA SER A 11 7.335 -0.643 -7.607 1.00 0.00 C ATOM 149 C SER A 11 6.038 -1.289 -7.090 1.00 0.00 C ATOM 150 O SER A 11 5.165 -0.596 -6.563 1.00 0.00 O ATOM 151 CB SER A 11 7.321 -0.542 -9.137 1.00 0.00 C ATOM 152 OG SER A 11 6.358 0.407 -9.560 1.00 0.00 O ATOM 0 H SER A 11 9.082 -1.783 -7.903 1.00 0.00 H new ATOM 0 HA SER A 11 7.384 0.364 -7.192 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.308 -0.254 -9.498 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.095 -1.516 -9.570 1.00 0.00 H new ATOM 0 HG SER A 11 6.361 0.462 -10.538 1.00 0.00 H new ATOM 158 N ARG A 12 5.938 -2.628 -7.133 1.00 0.00 N ATOM 159 CA ARG A 12 4.835 -3.408 -6.528 1.00 0.00 C ATOM 160 C ARG A 12 4.738 -3.195 -5.021 1.00 0.00 C ATOM 161 O ARG A 12 3.650 -2.938 -4.503 1.00 0.00 O ATOM 162 CB ARG A 12 4.992 -4.906 -6.873 1.00 0.00 C ATOM 163 CG ARG A 12 4.370 -5.316 -8.213 1.00 0.00 C ATOM 164 CD ARG A 12 5.070 -4.612 -9.370 1.00 0.00 C ATOM 165 NE ARG A 12 4.743 -5.210 -10.677 1.00 0.00 N ATOM 166 CZ ARG A 12 5.551 -5.248 -11.720 1.00 0.00 C ATOM 167 NH1 ARG A 12 6.748 -4.745 -11.670 1.00 0.00 N ATOM 168 NH2 ARG A 12 5.175 -5.790 -12.841 1.00 0.00 N ATOM 0 H ARG A 12 6.632 -3.214 -7.597 1.00 0.00 H new ATOM 0 HA ARG A 12 3.899 -3.046 -6.954 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.053 -5.154 -6.888 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.538 -5.499 -6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.445 -6.396 -8.339 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.309 -5.067 -8.218 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.787 -3.559 -9.375 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.148 -4.651 -9.216 1.00 0.00 H new ATOM 0 HE ARG A 12 3.819 -5.628 -10.784 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.082 -4.308 -10.811 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.353 -4.787 -12.490 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.242 -6.195 -12.924 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.813 -5.810 -13.637 1.00 0.00 H new ATOM 182 N TYR A 13 5.873 -3.213 -4.330 1.00 0.00 N ATOM 183 CA TYR A 13 5.952 -2.936 -2.896 1.00 0.00 C ATOM 184 C TYR A 13 5.496 -1.510 -2.524 1.00 0.00 C ATOM 185 O TYR A 13 4.876 -1.302 -1.478 1.00 0.00 O ATOM 186 CB TYR A 13 7.387 -3.205 -2.423 1.00 0.00 C ATOM 187 CG TYR A 13 7.662 -2.855 -0.973 1.00 0.00 C ATOM 188 CD1 TYR A 13 7.096 -3.628 0.060 1.00 0.00 C ATOM 189 CD2 TYR A 13 8.480 -1.751 -0.660 1.00 0.00 C ATOM 190 CE1 TYR A 13 7.341 -3.294 1.407 1.00 0.00 C ATOM 191 CE2 TYR A 13 8.733 -1.420 0.686 1.00 0.00 C ATOM 192 CZ TYR A 13 8.160 -2.187 1.722 1.00 0.00 C ATOM 193 OH TYR A 13 8.401 -1.856 3.020 1.00 0.00 O ATOM 0 H TYR A 13 6.777 -3.423 -4.754 1.00 0.00 H new ATOM 0 HA TYR A 13 5.257 -3.601 -2.384 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.611 -4.261 -2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.073 -2.640 -3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.474 -4.477 -0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.913 -1.158 -1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.903 -3.884 2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.366 -0.578 0.925 1.00 0.00 H new ATOM 0 HH TYR A 13 8.985 -1.070 3.054 1.00 0.00 H new ATOM 203 N ARG A 14 5.737 -0.532 -3.405 1.00 0.00 N ATOM 204 CA ARG A 14 5.263 0.855 -3.257 1.00 0.00 C ATOM 205 C ARG A 14 3.780 1.069 -3.574 1.00 0.00 C ATOM 206 O ARG A 14 3.179 1.993 -3.023 1.00 0.00 O ATOM 207 CB ARG A 14 6.153 1.796 -4.070 1.00 0.00 C ATOM 208 CG ARG A 14 7.430 2.041 -3.256 1.00 0.00 C ATOM 209 CD ARG A 14 8.486 2.765 -4.075 1.00 0.00 C ATOM 210 NE ARG A 14 8.048 4.093 -4.554 1.00 0.00 N ATOM 211 CZ ARG A 14 8.011 5.224 -3.868 1.00 0.00 C ATOM 212 NH1 ARG A 14 8.371 5.297 -2.617 1.00 0.00 N ATOM 213 NH2 ARG A 14 7.603 6.322 -4.437 1.00 0.00 N ATOM 0 H ARG A 14 6.277 -0.682 -4.257 1.00 0.00 H new ATOM 0 HA ARG A 14 5.345 1.091 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.394 1.355 -5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.638 2.736 -4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.190 2.629 -2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.829 1.088 -2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.386 2.883 -3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.756 2.149 -4.932 1.00 0.00 H new ATOM 0 HE ARG A 14 7.739 4.143 -5.525 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.697 4.462 -2.130 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.327 6.189 -2.125 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.311 6.312 -5.414 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.576 7.192 -3.905 1.00 0.00 H new ATOM 227 N LYS A 15 3.159 0.212 -4.392 1.00 0.00 N ATOM 228 CA LYS A 15 1.704 0.235 -4.635 1.00 0.00 C ATOM 229 C LYS A 15 0.917 -0.496 -3.549 1.00 0.00 C ATOM 230 O LYS A 15 -0.164 -0.041 -3.175 1.00 0.00 O ATOM 231 CB LYS A 15 1.378 -0.350 -6.023 1.00 0.00 C ATOM 232 CG LYS A 15 1.851 0.515 -7.209 1.00 0.00 C ATOM 233 CD LYS A 15 1.343 1.967 -7.223 1.00 0.00 C ATOM 234 CE LYS A 15 -0.187 2.059 -7.151 1.00 0.00 C ATOM 235 NZ LYS A 15 -0.653 3.467 -7.221 1.00 0.00 N ATOM 0 H LYS A 15 3.648 -0.520 -4.907 1.00 0.00 H new ATOM 0 HA LYS A 15 1.394 1.280 -4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.835 -1.336 -6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.300 -0.491 -6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.941 0.531 -7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.538 0.032 -8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.776 2.507 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.690 2.461 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.625 1.489 -7.970 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.536 1.605 -6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.691 3.492 -7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.254 4.005 -6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.340 3.892 -8.117 1.00 0.00 H new ATOM 249 N GLN A 16 1.458 -1.581 -2.994 1.00 0.00 N ATOM 250 CA GLN A 16 0.781 -2.331 -1.928 1.00 0.00 C ATOM 251 C GLN A 16 0.711 -1.554 -0.607 1.00 0.00 C ATOM 252 O GLN A 16 -0.303 -1.620 0.085 1.00 0.00 O ATOM 253 CB GLN A 16 1.346 -3.740 -1.793 1.00 0.00 C ATOM 254 CG GLN A 16 2.748 -3.870 -1.252 1.00 0.00 C ATOM 255 CD GLN A 16 2.861 -3.771 0.258 1.00 0.00 C ATOM 256 OE1 GLN A 16 2.139 -4.394 1.025 1.00 0.00 O ATOM 257 NE2 GLN A 16 3.784 -2.983 0.746 1.00 0.00 N ATOM 0 H GLN A 16 2.365 -1.963 -3.263 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.261 -2.454 -2.225 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.680 -4.311 -1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.318 -4.211 -2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.157 -4.829 -1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.368 -3.094 -1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.392 -2.459 0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.896 -2.893 1.756 1.00 0.00 H new ATOM 266 N MET A 17 1.730 -0.751 -0.278 1.00 0.00 N ATOM 267 CA MET A 17 1.709 0.079 0.929 1.00 0.00 C ATOM 268 C MET A 17 0.635 1.174 0.877 1.00 0.00 C ATOM 269 O MET A 17 -0.043 1.419 1.873 1.00 0.00 O ATOM 270 CB MET A 17 3.104 0.631 1.240 1.00 0.00 C ATOM 271 CG MET A 17 3.666 1.579 0.183 1.00 0.00 C ATOM 272 SD MET A 17 5.232 2.398 0.612 1.00 0.00 S ATOM 273 CE MET A 17 6.359 0.980 0.719 1.00 0.00 C ATOM 0 H MET A 17 2.581 -0.660 -0.833 1.00 0.00 H new ATOM 0 HA MET A 17 1.423 -0.565 1.761 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.068 1.154 2.195 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.792 -0.206 1.361 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.811 1.019 -0.741 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.920 2.347 -0.024 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.378 1.336 0.870 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.068 0.346 1.557 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.309 0.405 -0.205 1.00 0.00 H new ATOM 283 N ALA A 18 0.417 1.771 -0.298 1.00 0.00 N ATOM 284 CA ALA A 18 -0.655 2.743 -0.540 1.00 0.00 C ATOM 285 C ALA A 18 -2.057 2.143 -0.311 1.00 0.00 C ATOM 286 O ALA A 18 -2.958 2.823 0.187 1.00 0.00 O ATOM 287 CB ALA A 18 -0.503 3.295 -1.962 1.00 0.00 C ATOM 0 H ALA A 18 0.990 1.590 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.562 3.555 0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.293 4.020 -2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.468 3.781 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.575 2.477 -2.679 1.00 0.00 H new ATOM 293 N VAL A 19 -2.225 0.852 -0.616 1.00 0.00 N ATOM 294 CA VAL A 19 -3.429 0.073 -0.287 1.00 0.00 C ATOM 295 C VAL A 19 -3.540 -0.159 1.224 1.00 0.00 C ATOM 296 O VAL A 19 -4.593 0.124 1.794 1.00 0.00 O ATOM 297 CB VAL A 19 -3.451 -1.249 -1.082 1.00 0.00 C ATOM 298 CG1 VAL A 19 -4.564 -2.203 -0.645 1.00 0.00 C ATOM 299 CG2 VAL A 19 -3.625 -0.965 -2.579 1.00 0.00 C ATOM 0 H VAL A 19 -1.517 0.307 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.307 0.647 -0.583 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.495 -1.733 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.521 -3.112 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.434 -2.456 0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.532 -1.721 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.639 -1.906 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.564 -0.436 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.796 -0.351 -2.932 1.00 0.00 H new ATOM 309 N LYS A 20 -2.470 -0.596 1.913 1.00 0.00 N ATOM 310 CA LYS A 20 -2.506 -0.875 3.373 1.00 0.00 C ATOM 311 C LYS A 20 -2.904 0.361 4.169 1.00 0.00 C ATOM 312 O LYS A 20 -3.663 0.287 5.135 1.00 0.00 O ATOM 313 CB LYS A 20 -1.160 -1.387 3.923 1.00 0.00 C ATOM 314 CG LYS A 20 -0.503 -2.582 3.227 1.00 0.00 C ATOM 315 CD LYS A 20 -1.452 -3.571 2.567 1.00 0.00 C ATOM 316 CE LYS A 20 -2.141 -4.377 3.657 1.00 0.00 C ATOM 317 NZ LYS A 20 -3.052 -5.409 3.098 1.00 0.00 N ATOM 0 H LYS A 20 -1.560 -0.767 1.484 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.254 -1.659 3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.453 -0.558 3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.307 -1.651 4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.182 -2.204 2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.098 -3.119 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.189 -3.043 1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.904 -4.232 1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.389 -4.858 4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.708 -3.705 4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.500 -5.934 3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.786 -4.949 2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.508 -6.067 2.504 1.00 0.00 H new ATOM 331 N LYS A 21 -2.406 1.503 3.705 1.00 0.00 N ATOM 332 CA LYS A 21 -2.708 2.843 4.240 1.00 0.00 C ATOM 333 C LYS A 21 -4.187 3.234 4.111 1.00 0.00 C ATOM 334 O LYS A 21 -4.704 3.910 4.999 1.00 0.00 O ATOM 335 CB LYS A 21 -1.793 3.873 3.566 1.00 0.00 C ATOM 336 CG LYS A 21 -0.350 3.736 4.078 1.00 0.00 C ATOM 337 CD LYS A 21 0.621 4.468 3.149 1.00 0.00 C ATOM 338 CE LYS A 21 2.058 4.329 3.664 1.00 0.00 C ATOM 339 NZ LYS A 21 3.019 5.073 2.808 1.00 0.00 N ATOM 0 H LYS A 21 -1.757 1.531 2.918 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.512 2.822 5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.815 3.734 2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.161 4.879 3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.275 4.144 5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.078 2.682 4.140 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.548 4.060 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.350 5.522 3.087 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.116 4.701 4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.335 3.275 3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.981 4.957 3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.980 4.700 1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.769 6.082 2.801 1.00 0.00 H new ATOM 353 N TYR A 22 -4.893 2.777 3.073 1.00 0.00 N ATOM 354 CA TYR A 22 -6.347 2.948 2.956 1.00 0.00 C ATOM 355 C TYR A 22 -7.127 2.009 3.890 1.00 0.00 C ATOM 356 O TYR A 22 -8.061 2.467 4.545 1.00 0.00 O ATOM 357 CB TYR A 22 -6.786 2.786 1.498 1.00 0.00 C ATOM 358 CG TYR A 22 -8.292 2.803 1.300 1.00 0.00 C ATOM 359 CD1 TYR A 22 -8.984 4.029 1.258 1.00 0.00 C ATOM 360 CD2 TYR A 22 -9.003 1.590 1.196 1.00 0.00 C ATOM 361 CE1 TYR A 22 -10.386 4.046 1.110 1.00 0.00 C ATOM 362 CE2 TYR A 22 -10.404 1.603 1.051 1.00 0.00 C ATOM 363 CZ TYR A 22 -11.099 2.830 1.009 1.00 0.00 C ATOM 364 OH TYR A 22 -12.452 2.837 0.868 1.00 0.00 O ATOM 0 H TYR A 22 -4.474 2.277 2.289 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.585 3.962 3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.343 3.586 0.905 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.390 1.847 1.112 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -8.439 4.958 1.339 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.473 0.650 1.228 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -10.914 4.987 1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -10.947 0.673 0.972 1.00 0.00 H new ATOM 0 HH TYR A 22 -12.780 1.915 0.812 1.00 0.00 H new ATOM 374 N LEU A 23 -6.731 0.737 4.045 1.00 0.00 N ATOM 375 CA LEU A 23 -7.302 -0.138 5.081 1.00 0.00 C ATOM 376 C LEU A 23 -7.131 0.449 6.491 1.00 0.00 C ATOM 377 O LEU A 23 -8.080 0.486 7.275 1.00 0.00 O ATOM 378 CB LEU A 23 -6.725 -1.568 4.989 1.00 0.00 C ATOM 379 CG LEU A 23 -7.240 -2.466 3.843 1.00 0.00 C ATOM 380 CD1 LEU A 23 -8.748 -2.358 3.625 1.00 0.00 C ATOM 381 CD2 LEU A 23 -6.573 -2.161 2.507 1.00 0.00 C ATOM 0 H LEU A 23 -6.018 0.291 3.467 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.374 -0.201 4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.642 -1.490 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.928 -2.075 5.932 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.984 -3.474 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.045 -3.013 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.269 -2.655 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.007 -1.328 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.975 -2.823 1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.769 -1.125 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.498 -2.317 2.593 1.00 0.00 H new ATOM 393 N ALA A 24 -5.953 0.993 6.789 1.00 0.00 N ATOM 394 CA ALA A 24 -5.684 1.721 8.030 1.00 0.00 C ATOM 395 C ALA A 24 -6.526 3.002 8.181 1.00 0.00 C ATOM 396 O ALA A 24 -6.911 3.354 9.297 1.00 0.00 O ATOM 397 CB ALA A 24 -4.187 2.034 8.096 1.00 0.00 C ATOM 0 H ALA A 24 -5.146 0.940 6.167 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.976 1.084 8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.969 2.577 9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.620 1.103 8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.905 2.645 7.238 1.00 0.00 H new ATOM 403 N ALA A 25 -6.860 3.682 7.082 1.00 0.00 N ATOM 404 CA ALA A 25 -7.739 4.850 7.096 1.00 0.00 C ATOM 405 C ALA A 25 -9.180 4.532 7.535 1.00 0.00 C ATOM 406 O ALA A 25 -9.795 5.356 8.215 1.00 0.00 O ATOM 407 CB ALA A 25 -7.710 5.525 5.717 1.00 0.00 C ATOM 0 H ALA A 25 -6.525 3.434 6.151 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.356 5.537 7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.365 6.396 5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.692 5.838 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.053 4.820 4.960 1.00 0.00 H new ATOM 413 N VAL A 26 -9.715 3.346 7.206 1.00 0.00 N ATOM 414 CA VAL A 26 -11.078 2.940 7.634 1.00 0.00 C ATOM 415 C VAL A 26 -11.115 2.620 9.123 1.00 0.00 C ATOM 416 O VAL A 26 -12.029 3.036 9.837 1.00 0.00 O ATOM 417 CB VAL A 26 -11.711 1.792 6.807 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.118 1.701 5.403 1.00 0.00 C ATOM 419 CG2 VAL A 26 -11.627 0.369 7.387 1.00 0.00 C ATOM 0 H VAL A 26 -9.230 2.646 6.645 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.702 3.811 7.434 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.759 2.092 6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.592 0.883 4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.293 2.637 4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.046 1.518 5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.109 -0.331 6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.581 0.089 7.515 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.131 0.340 8.353 1.00 0.00 H new ATOM 429 N LEU A 27 -10.074 1.941 9.612 1.00 0.00 N ATOM 430 CA LEU A 27 -9.837 1.706 11.034 1.00 0.00 C ATOM 431 C LEU A 27 -9.660 3.029 11.797 1.00 0.00 C ATOM 432 O LEU A 27 -10.171 3.199 12.905 1.00 0.00 O ATOM 433 CB LEU A 27 -8.596 0.809 11.140 1.00 0.00 C ATOM 434 CG LEU A 27 -8.760 -0.570 10.473 1.00 0.00 C ATOM 435 CD1 LEU A 27 -7.431 -1.309 10.524 1.00 0.00 C ATOM 436 CD2 LEU A 27 -9.849 -1.406 11.137 1.00 0.00 C ATOM 0 H LEU A 27 -9.357 1.531 9.014 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.694 1.214 11.494 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.749 1.323 10.685 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.353 0.665 12.193 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.065 -0.411 9.439 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.540 -2.286 10.054 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.674 -0.733 9.993 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.126 -1.438 11.562 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.927 -2.369 10.632 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.597 -1.565 12.185 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.802 -0.882 11.069 1.00 0.00 H new ATOM 448 N GLY A 28 -9.017 4.002 11.150 1.00 0.00 N ATOM 449 CA GLY A 28 -8.914 5.394 11.585 1.00 0.00 C ATOM 450 C GLY A 28 -10.258 6.082 11.843 1.00 0.00 C ATOM 451 O GLY A 28 -10.352 6.856 12.797 1.00 0.00 O ATOM 0 H GLY A 28 -8.532 3.833 10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.320 5.433 12.498 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.371 5.959 10.827 1.00 0.00 H new ATOM 455 N LYS A 29 -11.317 5.785 11.069 1.00 0.00 N ATOM 456 CA LYS A 29 -12.668 6.344 11.302 1.00 0.00 C ATOM 457 C LYS A 29 -13.269 5.852 12.620 1.00 0.00 C ATOM 458 O LYS A 29 -13.942 6.611 13.319 1.00 0.00 O ATOM 459 CB LYS A 29 -13.632 6.008 10.147 1.00 0.00 C ATOM 460 CG LYS A 29 -13.146 6.374 8.736 1.00 0.00 C ATOM 461 CD LYS A 29 -12.729 7.843 8.581 1.00 0.00 C ATOM 462 CE LYS A 29 -12.327 8.112 7.126 1.00 0.00 C ATOM 463 NZ LYS A 29 -11.946 9.533 6.920 1.00 0.00 N ATOM 0 H LYS A 29 -11.265 5.155 10.268 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.543 7.426 11.355 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.839 4.938 10.172 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.577 6.520 10.328 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.300 5.738 8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.939 6.155 8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.552 8.498 8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.896 8.067 9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.492 7.467 6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.156 7.857 6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.680 9.680 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.752 10.146 7.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.139 9.768 7.533 1.00 0.00 H new ATOM 477 N ARG A 30 -12.986 4.597 12.986 1.00 0.00 N ATOM 478 CA ARG A 30 -13.417 3.986 14.261 1.00 0.00 C ATOM 479 C ARG A 30 -12.555 4.423 15.445 1.00 0.00 C ATOM 480 O ARG A 30 -13.064 4.535 16.558 1.00 0.00 O ATOM 481 CB ARG A 30 -13.447 2.450 14.140 1.00 0.00 C ATOM 482 CG ARG A 30 -14.401 1.915 13.057 1.00 0.00 C ATOM 483 CD ARG A 30 -15.846 2.398 13.247 1.00 0.00 C ATOM 484 NE ARG A 30 -16.768 1.738 12.304 1.00 0.00 N ATOM 485 CZ ARG A 30 -18.047 2.025 12.130 1.00 0.00 C ATOM 486 NH1 ARG A 30 -18.650 2.970 12.795 1.00 0.00 N ATOM 487 NH2 ARG A 30 -18.756 1.355 11.268 1.00 0.00 N ATOM 0 H ARG A 30 -12.443 3.963 12.400 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.426 4.345 14.462 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.439 2.095 13.926 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.736 2.028 15.102 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.043 2.229 12.077 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.382 0.825 13.069 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -16.166 2.197 14.270 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -15.891 3.478 13.105 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.382 0.988 11.731 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.133 3.521 13.480 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -19.639 3.159 12.630 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -18.325 0.607 10.725 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -19.742 1.578 11.136 1.00 0.00 H new ATOM 501 N TYR A 31 -11.286 4.762 15.217 1.00 0.00 N ATOM 502 CA TYR A 31 -10.434 5.366 16.245 1.00 0.00 C ATOM 503 C TYR A 31 -10.961 6.725 16.743 1.00 0.00 C ATOM 504 O TYR A 31 -10.794 7.054 17.917 1.00 0.00 O ATOM 505 CB TYR A 31 -8.989 5.470 15.737 1.00 0.00 C ATOM 506 CG TYR A 31 -8.004 5.896 16.812 1.00 0.00 C ATOM 507 CD1 TYR A 31 -7.610 4.977 17.805 1.00 0.00 C ATOM 508 CD2 TYR A 31 -7.513 7.218 16.843 1.00 0.00 C ATOM 509 CE1 TYR A 31 -6.731 5.375 18.830 1.00 0.00 C ATOM 510 CE2 TYR A 31 -6.632 7.619 17.865 1.00 0.00 C ATOM 511 CZ TYR A 31 -6.242 6.700 18.864 1.00 0.00 C ATOM 512 OH TYR A 31 -5.394 7.095 19.852 1.00 0.00 O ATOM 0 H TYR A 31 -10.820 4.627 14.320 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.456 4.707 17.113 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.682 4.505 15.335 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.951 6.185 14.915 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.984 3.964 17.780 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -7.813 7.923 16.082 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.431 4.668 19.589 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.254 8.630 17.885 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.156 8.037 19.722 1.00 0.00 H new ATOM 522 N LYS A 32 -11.668 7.490 15.893 1.00 0.00 N ATOM 523 CA LYS A 32 -12.268 8.792 16.266 1.00 0.00 C ATOM 524 C LYS A 32 -13.298 8.620 17.365 1.00 0.00 C ATOM 525 O LYS A 32 -13.281 9.279 18.400 1.00 0.00 O ATOM 526 CB LYS A 32 -12.920 9.481 15.065 1.00 0.00 C ATOM 527 CG LYS A 32 -11.979 9.597 13.872 1.00 0.00 C ATOM 528 CD LYS A 32 -10.541 9.976 14.222 1.00 0.00 C ATOM 529 CE LYS A 32 -9.729 10.217 12.945 1.00 0.00 C ATOM 530 NZ LYS A 32 -8.333 10.622 13.252 1.00 0.00 N ATOM 0 H LYS A 32 -11.842 7.226 14.923 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.455 9.421 16.628 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.808 8.923 14.769 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -13.252 10.477 15.359 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.970 8.645 13.341 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.378 10.342 13.184 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.534 10.874 14.840 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.081 9.181 14.809 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.721 9.309 12.342 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.210 10.992 12.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.813 10.777 12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.341 11.502 13.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.866 9.871 13.800 1.00 0.00 H new ATOM 544 N GLN A 33 -14.155 7.649 17.108 1.00 0.00 N ATOM 545 CA GLN A 33 -15.263 7.220 17.967 1.00 0.00 C ATOM 546 C GLN A 33 -14.778 6.766 19.350 1.00 0.00 C ATOM 547 O GLN A 33 -15.270 7.246 20.373 1.00 0.00 O ATOM 548 CB GLN A 33 -16.041 6.102 17.281 1.00 0.00 C ATOM 549 CG GLN A 33 -16.689 6.613 15.990 1.00 0.00 C ATOM 550 CD GLN A 33 -17.799 5.688 15.539 1.00 0.00 C ATOM 551 OE1 GLN A 33 -17.609 4.738 14.789 1.00 0.00 O ATOM 552 NE2 GLN A 33 -19.001 5.927 16.006 1.00 0.00 N ATOM 0 H GLN A 33 -14.100 7.103 16.248 1.00 0.00 H new ATOM 0 HA GLN A 33 -15.917 8.078 18.123 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -15.372 5.271 17.055 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -16.809 5.720 17.954 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -17.088 7.615 16.150 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -15.935 6.692 15.207 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -19.158 6.718 16.630 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.779 5.322 15.745 1.00 0.00 H new ATOM 561 N ARG A 34 -13.754 5.899 19.384 1.00 0.00 N ATOM 562 CA ARG A 34 -13.089 5.410 20.606 1.00 0.00 C ATOM 563 C ARG A 34 -12.395 6.495 21.442 1.00 0.00 C ATOM 564 O ARG A 34 -12.057 6.243 22.599 1.00 0.00 O ATOM 565 CB ARG A 34 -12.096 4.296 20.222 1.00 0.00 C ATOM 566 CG ARG A 34 -12.768 3.044 19.633 1.00 0.00 C ATOM 567 CD ARG A 34 -13.566 2.255 20.681 1.00 0.00 C ATOM 568 NE ARG A 34 -14.118 1.009 20.112 1.00 0.00 N ATOM 569 CZ ARG A 34 -14.951 0.173 20.709 1.00 0.00 C ATOM 570 NH1 ARG A 34 -15.396 0.379 21.918 1.00 0.00 N ATOM 571 NH2 ARG A 34 -15.358 -0.900 20.096 1.00 0.00 N ATOM 0 H ARG A 34 -13.351 5.505 18.534 1.00 0.00 H new ATOM 0 HA ARG A 34 -13.875 5.026 21.256 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.384 4.690 19.497 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.526 4.010 21.106 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -13.434 3.341 18.822 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.006 2.397 19.199 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.922 2.016 21.527 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.378 2.873 21.063 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.828 0.769 19.164 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -15.102 1.208 22.435 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -16.038 -0.288 22.346 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.035 -1.100 19.150 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.000 -1.541 20.562 1.00 0.00 H new ATOM 585 N VAL A 35 -12.225 7.696 20.887 1.00 0.00 N ATOM 586 CA VAL A 35 -11.628 8.868 21.566 1.00 0.00 C ATOM 587 C VAL A 35 -12.697 9.896 21.955 1.00 0.00 C ATOM 588 O VAL A 35 -12.696 10.372 23.092 1.00 0.00 O ATOM 589 CB VAL A 35 -10.502 9.482 20.710 1.00 0.00 C ATOM 590 CG1 VAL A 35 -9.968 10.805 21.276 1.00 0.00 C ATOM 591 CG2 VAL A 35 -9.310 8.518 20.616 1.00 0.00 C ATOM 0 H VAL A 35 -12.504 7.895 19.926 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.174 8.529 22.497 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.948 9.668 19.733 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.178 11.185 20.628 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.778 11.533 21.326 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.568 10.638 22.276 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.525 8.968 20.008 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.925 8.317 21.616 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.633 7.583 20.157 1.00 0.00 H new ATOM 601 N LYS A 36 -13.678 10.177 21.084 1.00 0.00 N ATOM 602 CA LYS A 36 -14.855 11.018 21.391 1.00 0.00 C ATOM 603 C LYS A 36 -15.736 10.461 22.516 1.00 0.00 C ATOM 604 O LYS A 36 -16.388 11.228 23.226 1.00 0.00 O ATOM 605 CB LYS A 36 -15.680 11.257 20.113 1.00 0.00 C ATOM 606 CG LYS A 36 -14.981 12.142 19.063 1.00 0.00 C ATOM 607 CD LYS A 36 -14.788 13.595 19.528 1.00 0.00 C ATOM 608 CE LYS A 36 -14.250 14.493 18.405 1.00 0.00 C ATOM 609 NZ LYS A 36 -12.844 14.169 18.043 1.00 0.00 N ATOM 0 H LYS A 36 -13.680 9.822 20.128 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.471 11.968 21.763 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -15.915 10.293 19.661 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.628 11.720 20.388 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.009 11.712 18.824 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.567 12.136 18.144 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.739 13.991 19.884 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.098 13.617 20.371 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.883 14.386 17.524 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.311 15.536 18.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.527 14.802 17.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.233 14.296 18.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.787 13.182 17.719 1.00 0.00 H new ATOM 623 N ASN A 37 -15.684 9.150 22.739 1.00 0.00 N ATOM 624 CA ASN A 37 -16.289 8.451 23.882 1.00 0.00 C ATOM 625 C ASN A 37 -15.691 8.843 25.258 1.00 0.00 C ATOM 626 O ASN A 37 -16.283 8.547 26.300 1.00 0.00 O ATOM 627 CB ASN A 37 -16.171 6.937 23.615 1.00 0.00 C ATOM 628 CG ASN A 37 -16.941 6.087 24.617 1.00 0.00 C ATOM 629 OD1 ASN A 37 -18.123 6.287 24.865 1.00 0.00 O ATOM 630 ND2 ASN A 37 -16.308 5.097 25.208 1.00 0.00 N ATOM 0 H ASN A 37 -15.200 8.515 22.105 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.333 8.754 23.958 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.536 6.723 22.611 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -15.119 6.652 23.639 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -16.802 4.499 25.870 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -15.323 4.927 25.004 1.00 0.00 H new ATOM 637 N LYS A 38 -14.534 9.519 25.267 1.00 0.00 N ATOM 638 CA LYS A 38 -13.751 9.921 26.453 1.00 0.00 C ATOM 639 C LYS A 38 -13.334 11.407 26.434 1.00 0.00 C ATOM 640 O LYS A 38 -12.573 11.857 27.290 1.00 0.00 O ATOM 641 CB LYS A 38 -12.518 8.997 26.572 1.00 0.00 C ATOM 642 CG LYS A 38 -12.830 7.506 26.801 1.00 0.00 C ATOM 643 CD LYS A 38 -13.513 7.236 28.150 1.00 0.00 C ATOM 644 CE LYS A 38 -13.731 5.731 28.341 1.00 0.00 C ATOM 645 NZ LYS A 38 -14.376 5.439 29.647 1.00 0.00 N ATOM 0 H LYS A 38 -14.090 9.819 24.399 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.390 9.811 27.330 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.925 9.091 25.662 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.897 9.352 27.395 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.472 7.147 25.997 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.903 6.934 26.748 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.900 7.628 28.961 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.469 7.758 28.193 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.352 5.346 27.532 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.774 5.213 28.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.510 4.412 29.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.770 5.785 30.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.300 5.915 29.692 1.00 0.00 H new HETATM 659 N NH2 A 39 -13.823 12.198 25.490 1.00 0.00 N TER 662 NH2 A 39