USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 498 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 73:sc= 0.788 USER MOD Single : A 18 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.19) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 57:sc= 0.177 USER MOD Single : A 33 SER OG : rot -170:sc= 1.22 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0676 USER MOD Single : A 39 SER OG : rot 68:sc= 0.515 USER MOD Single : A 50 SER OG : rot 46:sc= 0.264 USER MOD Single : A 58 THR OG1 : rot -82:sc= 1.25 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.136 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.697 12.910 18.447 1.00 25.00 N ATOM 2 CA ALA A 1 -7.357 12.373 17.113 1.00 25.00 C ATOM 3 C ALA A 1 -6.027 11.627 17.061 1.00 25.00 C ATOM 4 O ALA A 1 -5.096 11.878 17.799 1.00 25.00 O ATOM 5 CB ALA A 1 -7.350 13.546 16.121 1.00 25.00 C ATOM 0 H1 ALA A 1 -8.612 13.402 18.400 1.00 25.00 H new ATOM 0 H2 ALA A 1 -7.758 12.129 19.131 1.00 25.00 H new ATOM 0 H3 ALA A 1 -6.960 13.578 18.750 1.00 25.00 H new ATOM 0 HA ALA A 1 -8.110 11.629 16.853 1.00 25.00 H new ATOM 0 HB1 ALA A 1 -7.101 13.179 15.125 1.00 25.00 H new ATOM 0 HB2 ALA A 1 -8.336 14.011 16.101 1.00 25.00 H new ATOM 0 HB3 ALA A 1 -6.608 14.281 16.432 1.00 25.00 H new ATOM 10 N TYR A 2 -5.945 10.655 16.148 1.00 25.00 N ATOM 11 CA TYR A 2 -4.719 9.886 15.968 1.00 25.00 C ATOM 12 C TYR A 2 -3.740 10.702 15.129 1.00 25.00 C ATOM 13 O TYR A 2 -4.134 11.634 14.428 1.00 25.00 O ATOM 14 CB TYR A 2 -5.021 8.547 15.293 1.00 25.00 C ATOM 15 CG TYR A 2 -3.943 7.507 15.522 1.00 25.00 C ATOM 16 CD1 TYR A 2 -3.051 7.145 14.493 1.00 25.00 C ATOM 17 CD2 TYR A 2 -3.810 6.877 16.778 1.00 25.00 C ATOM 18 CE1 TYR A 2 -2.040 6.169 14.713 1.00 25.00 C ATOM 19 CE2 TYR A 2 -2.802 5.902 17.001 1.00 25.00 C ATOM 20 CZ TYR A 2 -1.930 5.557 15.967 1.00 25.00 C ATOM 21 OH TYR A 2 -0.959 4.614 16.191 1.00 25.00 O ATOM 0 H TYR A 2 -6.709 10.386 15.528 1.00 25.00 H new ATOM 0 HA TYR A 2 -4.274 9.677 16.941 1.00 25.00 H new ATOM 0 HB2 TYR A 2 -5.971 8.165 15.667 1.00 25.00 H new ATOM 0 HB3 TYR A 2 -5.141 8.706 14.221 1.00 25.00 H new ATOM 0 HD1 TYR A 2 -3.136 7.615 13.524 1.00 25.00 H new ATOM 0 HD2 TYR A 2 -4.484 7.140 17.580 1.00 25.00 H new ATOM 0 HE1 TYR A 2 -1.361 5.902 13.917 1.00 25.00 H new ATOM 0 HE2 TYR A 2 -2.710 5.429 17.968 1.00 25.00 H new ATOM 0 HH TYR A 2 -1.023 4.292 17.114 1.00 25.00 H new ATOM 31 N ARG A 3 -2.463 10.364 15.208 1.00 25.00 N ATOM 32 CA ARG A 3 -1.440 11.087 14.448 1.00 25.00 C ATOM 33 C ARG A 3 -1.591 10.753 12.962 1.00 25.00 C ATOM 34 O ARG A 3 -2.004 9.651 12.613 1.00 25.00 O ATOM 35 CB ARG A 3 -0.040 10.714 14.934 1.00 25.00 C ATOM 36 CG ARG A 3 0.237 11.163 16.365 1.00 25.00 C ATOM 37 CD ARG A 3 1.651 10.799 16.801 1.00 25.00 C ATOM 38 NE ARG A 3 1.958 11.341 18.139 1.00 25.00 N ATOM 39 CZ ARG A 3 1.696 10.742 19.298 1.00 25.00 C ATOM 40 NH1 ARG A 3 1.126 9.564 19.372 1.00 25.00 N ATOM 41 NH2 ARG A 3 2.014 11.348 20.409 1.00 25.00 N ATOM 0 H ARG A 3 -2.106 9.601 15.784 1.00 25.00 H new ATOM 0 HA ARG A 3 -1.574 12.158 14.598 1.00 25.00 H new ATOM 0 HB2 ARG A 3 0.085 9.633 14.868 1.00 25.00 H new ATOM 0 HB3 ARG A 3 0.700 11.161 14.270 1.00 25.00 H new ATOM 0 HG2 ARG A 3 0.098 12.241 16.442 1.00 25.00 H new ATOM 0 HG3 ARG A 3 -0.483 10.699 17.039 1.00 25.00 H new ATOM 0 HD2 ARG A 3 1.762 9.715 16.812 1.00 25.00 H new ATOM 0 HD3 ARG A 3 2.368 11.186 16.077 1.00 25.00 H new ATOM 0 HE ARG A 3 2.410 12.254 18.179 1.00 25.00 H new ATOM 0 HH11 ARG A 3 0.865 9.069 18.519 1.00 25.00 H new ATOM 0 HH12 ARG A 3 0.944 9.142 20.283 1.00 25.00 H new ATOM 0 HH21 ARG A 3 2.456 12.267 20.380 1.00 25.00 H new ATOM 0 HH22 ARG A 3 1.820 10.903 21.306 1.00 25.00 H new ATOM 55 N PRO A 4 -1.281 11.711 12.072 1.00 25.00 N ATOM 56 CA PRO A 4 -1.493 11.441 10.647 1.00 25.00 C ATOM 57 C PRO A 4 -0.422 10.552 10.031 1.00 25.00 C ATOM 58 O PRO A 4 0.716 10.508 10.492 1.00 25.00 O ATOM 59 CB PRO A 4 -1.467 12.839 10.030 1.00 25.00 C ATOM 60 CG PRO A 4 -0.533 13.599 10.896 1.00 25.00 C ATOM 61 CD PRO A 4 -0.762 13.072 12.296 1.00 25.00 C ATOM 0 HA PRO A 4 -2.418 10.891 10.472 1.00 25.00 H new ATOM 0 HB2 PRO A 4 -1.121 12.812 8.997 1.00 25.00 H new ATOM 0 HB3 PRO A 4 -2.459 13.290 10.022 1.00 25.00 H new ATOM 0 HG2 PRO A 4 0.501 13.450 10.584 1.00 25.00 H new ATOM 0 HG3 PRO A 4 -0.731 14.670 10.842 1.00 25.00 H new ATOM 0 HD2 PRO A 4 0.161 13.059 12.876 1.00 25.00 H new ATOM 0 HD3 PRO A 4 -1.475 13.688 12.845 1.00 25.00 H new ATOM 69 N SER A 5 -0.796 9.874 8.960 1.00 25.00 N ATOM 70 CA SER A 5 0.097 8.955 8.252 1.00 25.00 C ATOM 71 C SER A 5 0.370 9.446 6.835 1.00 25.00 C ATOM 72 O SER A 5 0.042 8.781 5.862 1.00 25.00 O ATOM 73 CB SER A 5 -0.531 7.563 8.212 1.00 25.00 C ATOM 74 OG SER A 5 -0.889 7.151 9.521 1.00 25.00 O ATOM 0 H SER A 5 -1.728 9.941 8.551 1.00 25.00 H new ATOM 0 HA SER A 5 1.047 8.911 8.785 1.00 25.00 H new ATOM 0 HB2 SER A 5 -1.413 7.572 7.571 1.00 25.00 H new ATOM 0 HB3 SER A 5 0.171 6.851 7.778 1.00 25.00 H new ATOM 0 HG SER A 5 -1.292 6.259 9.484 1.00 25.00 H new ATOM 80 N GLU A 6 0.944 10.636 6.727 1.00 25.00 N ATOM 81 CA GLU A 6 1.271 11.217 5.418 1.00 25.00 C ATOM 82 C GLU A 6 2.326 10.365 4.741 1.00 25.00 C ATOM 83 O GLU A 6 2.304 10.149 3.532 1.00 25.00 O ATOM 84 CB GLU A 6 1.832 12.630 5.587 1.00 25.00 C ATOM 85 CG GLU A 6 0.842 13.609 6.162 1.00 25.00 C ATOM 86 CD GLU A 6 -0.329 13.841 5.251 1.00 25.00 C ATOM 87 OE1 GLU A 6 -0.226 14.143 4.095 1.00 25.00 O ATOM 88 OE2 GLU A 6 -1.469 13.676 5.824 1.00 25.00 O ATOM 0 H GLU A 6 1.195 11.222 7.523 1.00 25.00 H new ATOM 0 HA GLU A 6 0.362 11.254 4.818 1.00 25.00 H new ATOM 0 HB2 GLU A 6 2.707 12.589 6.235 1.00 25.00 H new ATOM 0 HB3 GLU A 6 2.170 12.996 4.617 1.00 25.00 H new ATOM 0 HG2 GLU A 6 0.484 13.238 7.122 1.00 25.00 H new ATOM 0 HG3 GLU A 6 1.343 14.558 6.354 1.00 25.00 H new ATOM 96 N THR A 7 3.259 9.896 5.551 1.00 25.00 N ATOM 97 CA THR A 7 4.339 9.050 5.081 1.00 25.00 C ATOM 98 C THR A 7 4.333 7.750 5.859 1.00 25.00 C ATOM 99 O THR A 7 3.932 7.698 7.024 1.00 25.00 O ATOM 100 CB THR A 7 5.709 9.746 5.241 1.00 25.00 C ATOM 101 OG1 THR A 7 5.845 10.230 6.580 1.00 25.00 O ATOM 102 CG2 THR A 7 5.832 10.933 4.299 1.00 25.00 C ATOM 0 H THR A 7 3.288 10.091 6.552 1.00 25.00 H new ATOM 0 HA THR A 7 4.183 8.852 4.020 1.00 25.00 H new ATOM 0 HB THR A 7 6.485 9.016 5.009 1.00 25.00 H new ATOM 0 HG1 THR A 7 6.715 10.670 6.682 1.00 25.00 H new ATOM 0 HG21 THR A 7 6.806 11.404 4.433 1.00 25.00 H new ATOM 0 HG22 THR A 7 5.732 10.592 3.269 1.00 25.00 H new ATOM 0 HG23 THR A 7 5.046 11.655 4.519 1.00 25.00 H new ATOM 110 N LEU A 8 4.742 6.694 5.177 1.00 25.00 N ATOM 111 CA LEU A 8 4.766 5.350 5.721 1.00 25.00 C ATOM 112 C LEU A 8 6.042 4.675 5.297 1.00 25.00 C ATOM 113 O LEU A 8 6.437 4.742 4.136 1.00 25.00 O ATOM 114 CB LEU A 8 3.624 4.532 5.148 1.00 25.00 C ATOM 115 CG LEU A 8 2.212 4.936 5.535 1.00 25.00 C ATOM 116 CD1 LEU A 8 1.249 4.259 4.602 1.00 25.00 C ATOM 117 CD2 LEU A 8 1.908 4.593 6.986 1.00 25.00 C ATOM 0 H LEU A 8 5.072 6.749 4.213 1.00 25.00 H new ATOM 0 HA LEU A 8 4.683 5.414 6.806 1.00 25.00 H new ATOM 0 HB2 LEU A 8 3.698 4.565 4.061 1.00 25.00 H new ATOM 0 HB3 LEU A 8 3.771 3.494 5.446 1.00 25.00 H new ATOM 0 HG LEU A 8 2.110 6.018 5.446 1.00 25.00 H new ATOM 0 HD11 LEU A 8 0.229 4.539 4.866 1.00 25.00 H new ATOM 0 HD12 LEU A 8 1.456 4.568 3.578 1.00 25.00 H new ATOM 0 HD13 LEU A 8 1.362 3.178 4.684 1.00 25.00 H new ATOM 0 HD21 LEU A 8 0.889 4.897 7.226 1.00 25.00 H new ATOM 0 HD22 LEU A 8 2.011 3.518 7.135 1.00 25.00 H new ATOM 0 HD23 LEU A 8 2.606 5.118 7.638 1.00 25.00 H new ATOM 129 N CYS A 9 6.657 3.975 6.226 1.00 25.00 N ATOM 130 CA CYS A 9 7.881 3.242 5.943 1.00 25.00 C ATOM 131 C CYS A 9 7.973 2.105 6.943 1.00 25.00 C ATOM 132 O CYS A 9 7.286 2.121 7.965 1.00 25.00 O ATOM 133 CB CYS A 9 9.093 4.171 6.067 1.00 25.00 C ATOM 134 SG CYS A 9 10.326 3.929 4.744 1.00 25.00 S ATOM 0 H CYS A 9 6.331 3.895 7.189 1.00 25.00 H new ATOM 0 HA CYS A 9 7.870 2.850 4.926 1.00 25.00 H new ATOM 0 HB2 CYS A 9 8.752 5.206 6.051 1.00 25.00 H new ATOM 0 HB3 CYS A 9 9.570 4.007 7.033 1.00 25.00 H new ATOM 139 N GLY A 10 8.800 1.115 6.652 1.00 25.00 N ATOM 140 CA GLY A 10 8.916 -0.025 7.541 1.00 25.00 C ATOM 141 C GLY A 10 7.610 -0.787 7.608 1.00 25.00 C ATOM 142 O GLY A 10 6.866 -0.854 6.626 1.00 25.00 O ATOM 0 H GLY A 10 9.391 1.078 5.822 1.00 25.00 H new ATOM 0 HA2 GLY A 10 9.710 -0.685 7.192 1.00 25.00 H new ATOM 0 HA3 GLY A 10 9.197 0.313 8.538 1.00 25.00 H new ATOM 146 N GLY A 11 7.313 -1.331 8.778 1.00 25.00 N ATOM 147 CA GLY A 11 6.080 -2.074 8.965 1.00 25.00 C ATOM 148 C GLY A 11 4.840 -1.219 8.823 1.00 25.00 C ATOM 149 O GLY A 11 3.811 -1.722 8.448 1.00 25.00 O ATOM 0 H GLY A 11 7.905 -1.272 9.606 1.00 25.00 H new ATOM 0 HA2 GLY A 11 6.039 -2.885 8.238 1.00 25.00 H new ATOM 0 HA3 GLY A 11 6.086 -2.532 9.954 1.00 25.00 H new ATOM 153 N GLU A 12 4.945 0.085 9.049 1.00 25.00 N ATOM 154 CA GLU A 12 3.768 0.962 8.973 1.00 25.00 C ATOM 155 C GLU A 12 3.147 0.945 7.577 1.00 25.00 C ATOM 156 O GLU A 12 1.930 1.027 7.413 1.00 25.00 O ATOM 157 CB GLU A 12 4.152 2.403 9.313 1.00 25.00 C ATOM 158 CG GLU A 12 4.773 2.582 10.698 1.00 25.00 C ATOM 159 CD GLU A 12 5.143 4.013 10.987 1.00 25.00 C ATOM 160 OE1 GLU A 12 5.556 4.394 12.041 1.00 25.00 O ATOM 161 OE2 GLU A 12 4.996 4.806 9.979 1.00 25.00 O ATOM 0 H GLU A 12 5.817 0.560 9.284 1.00 25.00 H new ATOM 0 HA GLU A 12 3.041 0.586 9.693 1.00 25.00 H new ATOM 0 HB2 GLU A 12 4.856 2.765 8.563 1.00 25.00 H new ATOM 0 HB3 GLU A 12 3.262 3.029 9.244 1.00 25.00 H new ATOM 0 HG2 GLU A 12 4.071 2.232 11.455 1.00 25.00 H new ATOM 0 HG3 GLU A 12 5.663 1.958 10.776 1.00 25.00 H new ATOM 168 N LEU A 13 3.992 0.830 6.563 1.00 25.00 N ATOM 169 CA LEU A 13 3.516 0.788 5.186 1.00 25.00 C ATOM 170 C LEU A 13 2.777 -0.532 4.950 1.00 25.00 C ATOM 171 O LEU A 13 1.736 -0.571 4.305 1.00 25.00 O ATOM 172 CB LEU A 13 4.712 0.905 4.233 1.00 25.00 C ATOM 173 CG LEU A 13 4.430 0.868 2.722 1.00 25.00 C ATOM 174 CD1 LEU A 13 3.347 1.855 2.297 1.00 25.00 C ATOM 175 CD2 LEU A 13 5.735 1.181 1.989 1.00 25.00 C ATOM 0 H LEU A 13 5.005 0.764 6.665 1.00 25.00 H new ATOM 0 HA LEU A 13 2.833 1.617 5.001 1.00 25.00 H new ATOM 0 HB2 LEU A 13 5.227 1.840 4.455 1.00 25.00 H new ATOM 0 HB3 LEU A 13 5.405 0.096 4.464 1.00 25.00 H new ATOM 0 HG LEU A 13 4.059 -0.125 2.467 1.00 25.00 H new ATOM 0 HD11 LEU A 13 3.192 1.783 1.221 1.00 25.00 H new ATOM 0 HD12 LEU A 13 2.417 1.620 2.814 1.00 25.00 H new ATOM 0 HD13 LEU A 13 3.658 2.868 2.552 1.00 25.00 H new ATOM 0 HD21 LEU A 13 5.562 1.161 0.913 1.00 25.00 H new ATOM 0 HD22 LEU A 13 6.088 2.170 2.281 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.486 0.436 2.249 1.00 25.00 H new ATOM 187 N VAL A 14 3.319 -1.604 5.512 1.00 25.00 N ATOM 188 CA VAL A 14 2.733 -2.945 5.404 1.00 25.00 C ATOM 189 C VAL A 14 1.398 -3.000 6.150 1.00 25.00 C ATOM 190 O VAL A 14 0.430 -3.574 5.655 1.00 25.00 O ATOM 191 CB VAL A 14 3.718 -4.015 5.989 1.00 25.00 C ATOM 192 CG1 VAL A 14 3.098 -5.406 6.001 1.00 25.00 C ATOM 193 CG2 VAL A 14 5.008 -4.051 5.161 1.00 25.00 C ATOM 0 H VAL A 14 4.180 -1.574 6.058 1.00 25.00 H new ATOM 0 HA VAL A 14 2.558 -3.165 4.351 1.00 25.00 H new ATOM 0 HB VAL A 14 3.938 -3.726 7.017 1.00 25.00 H new ATOM 0 HG11 VAL A 14 3.812 -6.119 6.413 1.00 25.00 H new ATOM 0 HG12 VAL A 14 2.197 -5.398 6.615 1.00 25.00 H new ATOM 0 HG13 VAL A 14 2.840 -5.698 4.983 1.00 25.00 H new ATOM 0 HG21 VAL A 14 5.686 -4.797 5.575 1.00 25.00 H new ATOM 0 HG22 VAL A 14 4.771 -4.309 4.129 1.00 25.00 H new ATOM 0 HG23 VAL A 14 5.486 -3.072 5.189 1.00 25.00 H new ATOM 203 N ASP A 15 1.337 -2.369 7.312 1.00 25.00 N ATOM 204 CA ASP A 15 0.117 -2.332 8.120 1.00 25.00 C ATOM 205 C ASP A 15 -0.982 -1.632 7.329 1.00 25.00 C ATOM 206 O ASP A 15 -2.130 -2.065 7.301 1.00 25.00 O ATOM 207 CB ASP A 15 0.361 -1.560 9.427 1.00 25.00 C ATOM 208 CG ASP A 15 1.437 -2.196 10.301 1.00 25.00 C ATOM 209 OD1 ASP A 15 2.136 -1.437 11.015 1.00 25.00 O ATOM 210 OD2 ASP A 15 1.611 -3.434 10.254 1.00 25.00 O ATOM 0 H ASP A 15 2.125 -1.869 7.724 1.00 25.00 H new ATOM 0 HA ASP A 15 -0.179 -3.353 8.361 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.651 -0.537 9.190 1.00 25.00 H new ATOM 0 HB3 ASP A 15 -0.571 -1.505 9.990 1.00 25.00 H new ATOM 215 N THR A 16 -0.616 -0.565 6.637 1.00 25.00 N ATOM 216 CA THR A 16 -1.572 0.168 5.812 1.00 25.00 C ATOM 217 C THR A 16 -2.007 -0.668 4.612 1.00 25.00 C ATOM 218 O THR A 16 -3.170 -0.673 4.254 1.00 25.00 O ATOM 219 CB THR A 16 -0.977 1.492 5.320 1.00 25.00 C ATOM 220 OG1 THR A 16 -0.510 2.241 6.446 1.00 25.00 O ATOM 221 CG2 THR A 16 -2.022 2.337 4.592 1.00 25.00 C ATOM 0 H THR A 16 0.331 -0.186 6.628 1.00 25.00 H new ATOM 0 HA THR A 16 -2.441 0.381 6.434 1.00 25.00 H new ATOM 0 HB THR A 16 -0.164 1.260 4.631 1.00 25.00 H new ATOM 0 HG1 THR A 16 0.308 1.830 6.796 1.00 25.00 H new ATOM 0 HG21 THR A 16 -1.567 3.269 4.256 1.00 25.00 H new ATOM 0 HG22 THR A 16 -2.399 1.786 3.730 1.00 25.00 H new ATOM 0 HG23 THR A 16 -2.846 2.559 5.270 1.00 25.00 H new ATOM 229 N LEU A 17 -1.093 -1.411 4.009 1.00 25.00 N ATOM 230 CA LEU A 17 -1.449 -2.282 2.886 1.00 25.00 C ATOM 231 C LEU A 17 -2.468 -3.340 3.344 1.00 25.00 C ATOM 232 O LEU A 17 -3.415 -3.656 2.617 1.00 25.00 O ATOM 233 CB LEU A 17 -0.190 -2.929 2.298 1.00 25.00 C ATOM 234 CG LEU A 17 0.618 -1.998 1.373 1.00 25.00 C ATOM 235 CD1 LEU A 17 2.098 -2.341 1.380 1.00 25.00 C ATOM 236 CD2 LEU A 17 0.097 -2.078 -0.066 1.00 25.00 C ATOM 0 H LEU A 17 -0.107 -1.433 4.270 1.00 25.00 H new ATOM 0 HA LEU A 17 -1.914 -1.687 2.100 1.00 25.00 H new ATOM 0 HB2 LEU A 17 0.452 -3.259 3.115 1.00 25.00 H new ATOM 0 HB3 LEU A 17 -0.478 -3.819 1.739 1.00 25.00 H new ATOM 0 HG LEU A 17 0.492 -0.986 1.757 1.00 25.00 H new ATOM 0 HD11 LEU A 17 2.632 -1.662 0.716 1.00 25.00 H new ATOM 0 HD12 LEU A 17 2.490 -2.241 2.392 1.00 25.00 H new ATOM 0 HD13 LEU A 17 2.235 -3.367 1.037 1.00 25.00 H new ATOM 0 HD21 LEU A 17 0.681 -1.413 -0.702 1.00 25.00 H new ATOM 0 HD22 LEU A 17 0.189 -3.101 -0.430 1.00 25.00 H new ATOM 0 HD23 LEU A 17 -0.950 -1.776 -0.091 1.00 25.00 H new ATOM 248 N GLN A 18 -2.319 -3.832 4.567 1.00 25.00 N ATOM 249 CA GLN A 18 -3.302 -4.757 5.139 1.00 25.00 C ATOM 250 C GLN A 18 -4.636 -4.054 5.420 1.00 25.00 C ATOM 251 O GLN A 18 -5.689 -4.621 5.200 1.00 25.00 O ATOM 252 CB GLN A 18 -2.774 -5.378 6.432 1.00 25.00 C ATOM 253 CG GLN A 18 -1.639 -6.356 6.205 1.00 25.00 C ATOM 254 CD GLN A 18 -1.085 -6.910 7.494 1.00 25.00 C ATOM 255 OE1 GLN A 18 -1.811 -7.241 8.410 1.00 25.00 O ATOM 256 NE2 GLN A 18 0.212 -7.024 7.561 1.00 25.00 N ATOM 0 H GLN A 18 -1.535 -3.611 5.182 1.00 25.00 H new ATOM 0 HA GLN A 18 -3.470 -5.543 4.403 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -2.433 -4.584 7.096 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -3.590 -5.891 6.941 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -1.992 -7.178 5.582 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -0.840 -5.859 5.654 1.00 25.00 H new ATOM 0 HE21 GLN A 18 0.791 -6.736 6.772 1.00 25.00 H new ATOM 0 HE22 GLN A 18 0.648 -7.401 8.402 1.00 25.00 H new ATOM 265 N PHE A 19 -4.594 -2.811 5.872 1.00 25.00 N ATOM 266 CA PHE A 19 -5.822 -2.051 6.118 1.00 25.00 C ATOM 267 C PHE A 19 -6.597 -1.763 4.822 1.00 25.00 C ATOM 268 O PHE A 19 -7.820 -1.827 4.792 1.00 25.00 O ATOM 269 CB PHE A 19 -5.473 -0.728 6.808 1.00 25.00 C ATOM 270 CG PHE A 19 -6.667 0.141 7.087 1.00 25.00 C ATOM 271 CD1 PHE A 19 -6.988 1.208 6.225 1.00 25.00 C ATOM 272 CD2 PHE A 19 -7.485 -0.105 8.204 1.00 25.00 C ATOM 273 CE1 PHE A 19 -8.118 2.026 6.472 1.00 25.00 C ATOM 274 CE2 PHE A 19 -8.621 0.705 8.463 1.00 25.00 C ATOM 275 CZ PHE A 19 -8.935 1.772 7.594 1.00 25.00 C ATOM 0 H PHE A 19 -3.733 -2.305 6.077 1.00 25.00 H new ATOM 0 HA PHE A 19 -6.463 -2.658 6.758 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -4.963 -0.942 7.747 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -4.771 -0.176 6.183 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -6.365 1.405 5.365 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -7.246 -0.919 8.872 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -8.353 2.841 5.804 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -9.244 0.506 9.323 1.00 25.00 H new ATOM 0 HZ PHE A 19 -9.798 2.392 7.787 1.00 25.00 H new ATOM 285 N VAL A 20 -5.880 -1.417 3.761 1.00 25.00 N ATOM 286 CA VAL A 20 -6.505 -1.047 2.488 1.00 25.00 C ATOM 287 C VAL A 20 -6.991 -2.271 1.701 1.00 25.00 C ATOM 288 O VAL A 20 -8.033 -2.209 1.044 1.00 25.00 O ATOM 289 CB VAL A 20 -5.501 -0.199 1.623 1.00 25.00 C ATOM 290 CG1 VAL A 20 -6.077 0.148 0.240 1.00 25.00 C ATOM 291 CG2 VAL A 20 -5.169 1.115 2.354 1.00 25.00 C ATOM 0 H VAL A 20 -4.861 -1.383 3.752 1.00 25.00 H new ATOM 0 HA VAL A 20 -7.385 -0.445 2.716 1.00 25.00 H new ATOM 0 HB VAL A 20 -4.606 -0.805 1.482 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -5.349 0.734 -0.321 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -6.299 -0.771 -0.303 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -6.992 0.728 0.362 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -4.473 1.700 1.753 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -6.084 1.686 2.509 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -4.714 0.890 3.319 1.00 25.00 H new ATOM 301 N CYS A 21 -6.244 -3.369 1.743 1.00 25.00 N ATOM 302 CA CYS A 21 -6.588 -4.556 0.946 1.00 25.00 C ATOM 303 C CYS A 21 -6.631 -5.882 1.707 1.00 25.00 C ATOM 304 O CYS A 21 -7.493 -6.712 1.429 1.00 25.00 O ATOM 305 CB CYS A 21 -5.610 -4.665 -0.219 1.00 25.00 C ATOM 306 SG CYS A 21 -5.911 -3.376 -1.467 1.00 25.00 S ATOM 0 H CYS A 21 -5.403 -3.469 2.312 1.00 25.00 H new ATOM 0 HA CYS A 21 -7.613 -4.397 0.612 1.00 25.00 H new ATOM 0 HB2 CYS A 21 -4.589 -4.581 0.153 1.00 25.00 H new ATOM 0 HB3 CYS A 21 -5.701 -5.648 -0.681 1.00 25.00 H new ATOM 311 N GLY A 22 -5.726 -6.077 2.656 1.00 25.00 N ATOM 312 CA GLY A 22 -5.756 -7.265 3.508 1.00 25.00 C ATOM 313 C GLY A 22 -5.846 -8.598 2.792 1.00 25.00 C ATOM 314 O GLY A 22 -4.902 -9.023 2.128 1.00 25.00 O ATOM 0 H GLY A 22 -4.962 -5.432 2.858 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -4.858 -7.267 4.125 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -6.607 -7.181 4.184 1.00 25.00 H new ATOM 318 N ASP A 23 -7.003 -9.237 2.915 1.00 25.00 N ATOM 319 CA ASP A 23 -7.282 -10.553 2.321 1.00 25.00 C ATOM 320 C ASP A 23 -7.111 -10.582 0.806 1.00 25.00 C ATOM 321 O ASP A 23 -6.883 -11.633 0.212 1.00 25.00 O ATOM 322 CB ASP A 23 -8.729 -10.939 2.630 1.00 25.00 C ATOM 323 CG ASP A 23 -9.012 -10.982 4.110 1.00 25.00 C ATOM 324 OD1 ASP A 23 -8.403 -11.804 4.821 1.00 25.00 O ATOM 325 OD2 ASP A 23 -9.817 -10.147 4.572 1.00 25.00 O ATOM 0 H ASP A 23 -7.791 -8.855 3.438 1.00 25.00 H new ATOM 0 HA ASP A 23 -6.563 -11.249 2.753 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -9.401 -10.224 2.156 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -8.942 -11.915 2.194 1.00 25.00 H new ATOM 330 N ARG A 24 -7.213 -9.421 0.173 1.00 25.00 N ATOM 331 CA ARG A 24 -7.047 -9.324 -1.277 1.00 25.00 C ATOM 332 C ARG A 24 -5.597 -9.545 -1.683 1.00 25.00 C ATOM 333 O ARG A 24 -5.313 -9.823 -2.845 1.00 25.00 O ATOM 334 CB ARG A 24 -7.504 -7.948 -1.771 1.00 25.00 C ATOM 335 CG ARG A 24 -8.975 -7.606 -1.465 1.00 25.00 C ATOM 336 CD ARG A 24 -9.944 -8.649 -2.025 1.00 25.00 C ATOM 337 NE ARG A 24 -9.696 -8.898 -3.455 1.00 25.00 N ATOM 338 CZ ARG A 24 -10.168 -8.171 -4.460 1.00 25.00 C ATOM 339 NH1 ARG A 24 -10.949 -7.133 -4.274 1.00 25.00 N ATOM 340 NH2 ARG A 24 -9.843 -8.497 -5.680 1.00 25.00 N ATOM 0 H ARG A 24 -7.409 -8.534 0.636 1.00 25.00 H new ATOM 0 HA ARG A 24 -7.660 -10.102 -1.732 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -6.868 -7.186 -1.321 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -7.350 -7.895 -2.849 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -9.111 -7.530 -0.386 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -9.213 -6.629 -1.886 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -9.840 -9.580 -1.468 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -10.970 -8.307 -1.886 1.00 25.00 H new ATOM 0 HE ARG A 24 -9.111 -9.699 -3.694 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -11.215 -6.858 -3.329 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -11.290 -6.601 -5.075 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -9.236 -9.299 -5.849 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -10.196 -7.950 -6.465 1.00 25.00 H new ATOM 354 N GLY A 25 -4.695 -9.426 -0.722 1.00 25.00 N ATOM 355 CA GLY A 25 -3.279 -9.605 -0.977 1.00 25.00 C ATOM 356 C GLY A 25 -2.645 -8.358 -1.553 1.00 25.00 C ATOM 357 O GLY A 25 -3.323 -7.491 -2.109 1.00 25.00 O ATOM 0 H GLY A 25 -4.923 -9.205 0.247 1.00 25.00 H new ATOM 0 HA2 GLY A 25 -2.774 -9.873 -0.049 1.00 25.00 H new ATOM 0 HA3 GLY A 25 -3.137 -10.436 -1.668 1.00 25.00 H new ATOM 361 N PHE A 26 -1.333 -8.263 -1.425 1.00 25.00 N ATOM 362 CA PHE A 26 -0.568 -7.142 -1.953 1.00 25.00 C ATOM 363 C PHE A 26 0.873 -7.604 -2.004 1.00 25.00 C ATOM 364 O PHE A 26 1.224 -8.585 -1.346 1.00 25.00 O ATOM 365 CB PHE A 26 -0.689 -5.917 -1.033 1.00 25.00 C ATOM 366 CG PHE A 26 -0.104 -6.128 0.343 1.00 25.00 C ATOM 367 CD1 PHE A 26 -0.916 -6.563 1.410 1.00 25.00 C ATOM 368 CD2 PHE A 26 1.262 -5.875 0.586 1.00 25.00 C ATOM 369 CE1 PHE A 26 -0.368 -6.751 2.707 1.00 25.00 C ATOM 370 CE2 PHE A 26 1.817 -6.065 1.875 1.00 25.00 C ATOM 371 CZ PHE A 26 0.999 -6.499 2.933 1.00 25.00 C ATOM 0 H PHE A 26 -0.764 -8.964 -0.950 1.00 25.00 H new ATOM 0 HA PHE A 26 -0.936 -6.848 -2.936 1.00 25.00 H new ATOM 0 HB2 PHE A 26 -0.190 -5.070 -1.504 1.00 25.00 H new ATOM 0 HB3 PHE A 26 -1.742 -5.652 -0.933 1.00 25.00 H new ATOM 0 HD1 PHE A 26 -1.965 -6.755 1.240 1.00 25.00 H new ATOM 0 HD2 PHE A 26 1.893 -5.532 -0.221 1.00 25.00 H new ATOM 0 HE1 PHE A 26 -0.998 -7.086 3.518 1.00 25.00 H new ATOM 0 HE2 PHE A 26 2.867 -5.877 2.045 1.00 25.00 H new ATOM 0 HZ PHE A 26 1.419 -6.639 3.918 1.00 25.00 H new ATOM 381 N TYR A 27 1.717 -6.891 -2.730 1.00 25.00 N ATOM 382 CA TYR A 27 3.149 -7.171 -2.718 1.00 25.00 C ATOM 383 C TYR A 27 3.919 -5.907 -3.071 1.00 25.00 C ATOM 384 O TYR A 27 3.383 -4.979 -3.668 1.00 25.00 O ATOM 385 CB TYR A 27 3.505 -8.313 -3.679 1.00 25.00 C ATOM 386 CG TYR A 27 2.953 -8.153 -5.078 1.00 25.00 C ATOM 387 CD1 TYR A 27 3.653 -7.415 -6.054 1.00 25.00 C ATOM 388 CD2 TYR A 27 1.732 -8.762 -5.442 1.00 25.00 C ATOM 389 CE1 TYR A 27 3.137 -7.278 -7.371 1.00 25.00 C ATOM 390 CE2 TYR A 27 1.216 -8.626 -6.756 1.00 25.00 C ATOM 391 CZ TYR A 27 1.925 -7.892 -7.707 1.00 25.00 C ATOM 392 OH TYR A 27 1.427 -7.775 -8.979 1.00 25.00 O ATOM 0 H TYR A 27 1.441 -6.117 -3.334 1.00 25.00 H new ATOM 0 HA TYR A 27 3.431 -7.493 -1.715 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.590 -8.396 -3.738 1.00 25.00 H new ATOM 0 HB3 TYR A 27 3.136 -9.250 -3.262 1.00 25.00 H new ATOM 0 HD1 TYR A 27 4.593 -6.948 -5.798 1.00 25.00 H new ATOM 0 HD2 TYR A 27 1.185 -9.338 -4.711 1.00 25.00 H new ATOM 0 HE1 TYR A 27 3.677 -6.703 -8.109 1.00 25.00 H new ATOM 0 HE2 TYR A 27 0.277 -9.089 -7.020 1.00 25.00 H new ATOM 0 HH TYR A 27 0.579 -8.261 -9.044 1.00 25.00 H new ATOM 402 N PHE A 28 5.175 -5.864 -2.668 1.00 25.00 N ATOM 403 CA PHE A 28 6.021 -4.707 -2.930 1.00 25.00 C ATOM 404 C PHE A 28 6.600 -4.841 -4.333 1.00 25.00 C ATOM 405 O PHE A 28 6.752 -5.947 -4.849 1.00 25.00 O ATOM 406 CB PHE A 28 7.157 -4.634 -1.901 1.00 25.00 C ATOM 407 CG PHE A 28 6.777 -3.927 -0.617 1.00 25.00 C ATOM 408 CD1 PHE A 28 5.651 -4.328 0.135 1.00 25.00 C ATOM 409 CD2 PHE A 28 7.560 -2.854 -0.146 1.00 25.00 C ATOM 410 CE1 PHE A 28 5.314 -3.668 1.339 1.00 25.00 C ATOM 411 CE2 PHE A 28 7.227 -2.188 1.060 1.00 25.00 C ATOM 412 CZ PHE A 28 6.101 -2.598 1.801 1.00 25.00 C ATOM 0 H PHE A 28 5.636 -6.617 -2.157 1.00 25.00 H new ATOM 0 HA PHE A 28 5.431 -3.794 -2.853 1.00 25.00 H new ATOM 0 HB2 PHE A 28 7.485 -5.646 -1.664 1.00 25.00 H new ATOM 0 HB3 PHE A 28 8.008 -4.120 -2.349 1.00 25.00 H new ATOM 0 HD1 PHE A 28 5.041 -5.148 -0.213 1.00 25.00 H new ATOM 0 HD2 PHE A 28 8.424 -2.536 -0.711 1.00 25.00 H new ATOM 0 HE1 PHE A 28 4.451 -3.986 1.905 1.00 25.00 H new ATOM 0 HE2 PHE A 28 7.835 -1.367 1.410 1.00 25.00 H new ATOM 0 HZ PHE A 28 5.843 -2.093 2.720 1.00 25.00 H new ATOM 422 N SER A 29 6.947 -3.713 -4.937 1.00 25.00 N ATOM 423 CA SER A 29 7.563 -3.695 -6.261 1.00 25.00 C ATOM 424 C SER A 29 8.987 -4.214 -6.200 1.00 25.00 C ATOM 425 O SER A 29 9.940 -3.477 -5.965 1.00 25.00 O ATOM 426 CB SER A 29 7.538 -2.272 -6.820 1.00 25.00 C ATOM 427 OG SER A 29 8.001 -1.349 -5.841 1.00 25.00 O ATOM 0 H SER A 29 6.811 -2.788 -4.528 1.00 25.00 H new ATOM 0 HA SER A 29 6.994 -4.350 -6.921 1.00 25.00 H new ATOM 0 HB2 SER A 29 8.164 -2.213 -7.710 1.00 25.00 H new ATOM 0 HB3 SER A 29 6.524 -2.011 -7.125 1.00 25.00 H new ATOM 0 HG SER A 29 8.898 -1.609 -5.545 1.00 25.00 H new ATOM 433 N ARG A 30 9.088 -5.513 -6.410 1.00 25.00 N ATOM 434 CA ARG A 30 10.349 -6.244 -6.406 1.00 25.00 C ATOM 435 C ARG A 30 11.426 -5.879 -7.451 1.00 25.00 C ATOM 436 O ARG A 30 12.607 -5.788 -7.111 1.00 25.00 O ATOM 437 CB ARG A 30 9.997 -7.742 -6.451 1.00 25.00 C ATOM 438 CG ARG A 30 11.119 -8.690 -6.808 1.00 25.00 C ATOM 439 CD ARG A 30 12.205 -8.722 -5.735 1.00 25.00 C ATOM 440 NE ARG A 30 12.973 -9.980 -5.761 1.00 25.00 N ATOM 441 CZ ARG A 30 14.142 -10.160 -6.371 1.00 25.00 C ATOM 442 NH1 ARG A 30 14.744 -9.203 -7.034 1.00 25.00 N ATOM 443 NH2 ARG A 30 14.714 -11.330 -6.308 1.00 25.00 N ATOM 0 H ARG A 30 8.279 -6.106 -6.593 1.00 25.00 H new ATOM 0 HA ARG A 30 10.860 -5.941 -5.492 1.00 25.00 H new ATOM 0 HB2 ARG A 30 9.605 -8.030 -5.475 1.00 25.00 H new ATOM 0 HB3 ARG A 30 9.191 -7.881 -7.171 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.716 -9.693 -6.946 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.558 -8.390 -7.759 1.00 25.00 H new ATOM 0 HD2 ARG A 30 12.883 -7.881 -5.881 1.00 25.00 H new ATOM 0 HD3 ARG A 30 11.748 -8.597 -4.753 1.00 25.00 H new ATOM 0 HE ARG A 30 12.575 -10.780 -5.270 1.00 25.00 H new ATOM 0 HH11 ARG A 30 14.317 -8.279 -7.096 1.00 25.00 H new ATOM 0 HH12 ARG A 30 15.640 -9.382 -7.488 1.00 25.00 H new ATOM 0 HH21 ARG A 30 14.265 -12.090 -5.797 1.00 25.00 H new ATOM 0 HH22 ARG A 30 15.610 -11.485 -6.770 1.00 25.00 H new ATOM 457 N PRO A 31 11.061 -5.746 -8.729 1.00 25.00 N ATOM 458 CA PRO A 31 12.088 -5.498 -9.740 1.00 25.00 C ATOM 459 C PRO A 31 12.584 -4.050 -9.742 1.00 25.00 C ATOM 460 O PRO A 31 11.907 -3.151 -9.252 1.00 25.00 O ATOM 461 CB PRO A 31 11.358 -5.831 -11.043 1.00 25.00 C ATOM 462 CG PRO A 31 9.938 -5.452 -10.761 1.00 25.00 C ATOM 463 CD PRO A 31 9.726 -5.858 -9.322 1.00 25.00 C ATOM 0 HA PRO A 31 12.989 -6.087 -9.570 1.00 25.00 H new ATOM 0 HB2 PRO A 31 11.763 -5.268 -11.884 1.00 25.00 H new ATOM 0 HB3 PRO A 31 11.448 -6.888 -11.294 1.00 25.00 H new ATOM 0 HG2 PRO A 31 9.775 -4.383 -10.902 1.00 25.00 H new ATOM 0 HG3 PRO A 31 9.248 -5.970 -11.427 1.00 25.00 H new ATOM 0 HD2 PRO A 31 9.010 -5.205 -8.823 1.00 25.00 H new ATOM 0 HD3 PRO A 31 9.338 -6.874 -9.246 1.00 25.00 H new ATOM 471 N ALA A 32 13.752 -3.831 -10.332 1.00 25.00 N ATOM 472 CA ALA A 32 14.331 -2.498 -10.457 1.00 25.00 C ATOM 473 C ALA A 32 15.053 -2.439 -11.802 1.00 25.00 C ATOM 474 O ALA A 32 15.427 -3.474 -12.351 1.00 25.00 O ATOM 475 CB ALA A 32 15.308 -2.234 -9.300 1.00 25.00 C ATOM 0 H ALA A 32 14.325 -4.571 -10.737 1.00 25.00 H new ATOM 0 HA ALA A 32 13.557 -1.732 -10.411 1.00 25.00 H new ATOM 0 HB1 ALA A 32 15.734 -1.236 -9.404 1.00 25.00 H new ATOM 0 HB2 ALA A 32 14.776 -2.304 -8.351 1.00 25.00 H new ATOM 0 HB3 ALA A 32 16.108 -2.974 -9.323 1.00 25.00 H new ATOM 481 N SER A 33 15.228 -1.241 -12.338 1.00 25.00 N ATOM 482 CA SER A 33 15.872 -1.066 -13.631 1.00 25.00 C ATOM 483 C SER A 33 17.381 -0.874 -13.475 1.00 25.00 C ATOM 484 O SER A 33 17.835 -0.112 -12.633 1.00 25.00 O ATOM 485 CB SER A 33 15.261 0.156 -14.317 1.00 25.00 C ATOM 486 OG SER A 33 14.827 1.096 -13.345 1.00 25.00 O ATOM 0 H SER A 33 14.931 -0.371 -11.895 1.00 25.00 H new ATOM 0 HA SER A 33 15.711 -1.960 -14.233 1.00 25.00 H new ATOM 0 HB2 SER A 33 15.996 0.617 -14.977 1.00 25.00 H new ATOM 0 HB3 SER A 33 14.420 -0.149 -14.940 1.00 25.00 H new ATOM 0 HG SER A 33 14.301 1.798 -13.781 1.00 25.00 H new ATOM 492 N ARG A 34 18.154 -1.556 -14.316 1.00 25.00 N ATOM 493 CA ARG A 34 19.623 -1.432 -14.308 1.00 25.00 C ATOM 494 C ARG A 34 20.074 -0.349 -15.281 1.00 25.00 C ATOM 495 O ARG A 34 21.255 -0.089 -15.458 1.00 25.00 O ATOM 496 CB ARG A 34 20.252 -2.768 -14.704 1.00 25.00 C ATOM 497 CG ARG A 34 21.547 -3.079 -13.956 1.00 25.00 C ATOM 498 CD ARG A 34 22.762 -3.059 -14.883 1.00 25.00 C ATOM 499 NE ARG A 34 24.000 -3.403 -14.160 1.00 25.00 N ATOM 500 CZ ARG A 34 25.222 -3.403 -14.685 1.00 25.00 C ATOM 501 NH1 ARG A 34 25.449 -3.074 -15.932 1.00 25.00 N ATOM 502 NH2 ARG A 34 26.236 -3.739 -13.935 1.00 25.00 N ATOM 0 H ARG A 34 17.794 -2.204 -15.016 1.00 25.00 H new ATOM 0 HA ARG A 34 19.945 -1.157 -13.304 1.00 25.00 H new ATOM 0 HB2 ARG A 34 19.534 -3.567 -14.519 1.00 25.00 H new ATOM 0 HB3 ARG A 34 20.453 -2.762 -15.775 1.00 25.00 H new ATOM 0 HG2 ARG A 34 21.688 -2.351 -13.157 1.00 25.00 H new ATOM 0 HG3 ARG A 34 21.467 -4.058 -13.484 1.00 25.00 H new ATOM 0 HD2 ARG A 34 22.609 -3.764 -15.700 1.00 25.00 H new ATOM 0 HD3 ARG A 34 22.863 -2.070 -15.330 1.00 25.00 H new ATOM 0 HE ARG A 34 23.912 -3.662 -13.177 1.00 25.00 H new ATOM 0 HH11 ARG A 34 24.674 -2.805 -16.538 1.00 25.00 H new ATOM 0 HH12 ARG A 34 26.401 -3.086 -16.298 1.00 25.00 H new ATOM 0 HH21 ARG A 34 26.086 -3.997 -12.960 1.00 25.00 H new ATOM 0 HH22 ARG A 34 27.179 -3.744 -14.324 1.00 25.00 H new ATOM 516 N VAL A 35 19.089 0.253 -15.917 1.00 25.00 N ATOM 517 CA VAL A 35 19.288 1.329 -16.884 1.00 25.00 C ATOM 518 C VAL A 35 18.533 2.538 -16.349 1.00 25.00 C ATOM 519 O VAL A 35 17.787 2.406 -15.385 1.00 25.00 O ATOM 520 CB VAL A 35 18.759 0.931 -18.296 1.00 25.00 C ATOM 521 CG1 VAL A 35 19.597 -0.215 -18.873 1.00 25.00 C ATOM 522 CG2 VAL A 35 17.272 0.511 -18.237 1.00 25.00 C ATOM 0 H VAL A 35 18.109 0.008 -15.778 1.00 25.00 H new ATOM 0 HA VAL A 35 20.350 1.545 -17.002 1.00 25.00 H new ATOM 0 HB VAL A 35 18.845 1.804 -18.943 1.00 25.00 H new ATOM 0 HG11 VAL A 35 19.217 -0.483 -19.859 1.00 25.00 H new ATOM 0 HG12 VAL A 35 20.636 0.102 -18.958 1.00 25.00 H new ATOM 0 HG13 VAL A 35 19.534 -1.080 -18.213 1.00 25.00 H new ATOM 0 HG21 VAL A 35 16.931 0.239 -19.236 1.00 25.00 H new ATOM 0 HG22 VAL A 35 17.162 -0.344 -17.570 1.00 25.00 H new ATOM 0 HG23 VAL A 35 16.674 1.342 -17.863 1.00 25.00 H new ATOM 532 N SER A 36 18.705 3.696 -16.973 1.00 25.00 N ATOM 533 CA SER A 36 18.108 4.961 -16.514 1.00 25.00 C ATOM 534 C SER A 36 16.572 5.094 -16.591 1.00 25.00 C ATOM 535 O SER A 36 16.042 6.203 -16.682 1.00 25.00 O ATOM 536 CB SER A 36 18.732 6.088 -17.329 1.00 25.00 C ATOM 537 OG SER A 36 20.047 5.723 -17.717 1.00 25.00 O ATOM 0 H SER A 36 19.266 3.793 -17.819 1.00 25.00 H new ATOM 0 HA SER A 36 18.323 5.001 -15.446 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.125 6.292 -18.211 1.00 25.00 H new ATOM 0 HB3 SER A 36 18.757 7.005 -16.741 1.00 25.00 H new ATOM 0 HG SER A 36 20.446 6.448 -18.242 1.00 25.00 H new ATOM 543 N ARG A 37 15.857 3.981 -16.514 1.00 25.00 N ATOM 544 CA ARG A 37 14.392 3.973 -16.495 1.00 25.00 C ATOM 545 C ARG A 37 13.924 4.104 -15.049 1.00 25.00 C ATOM 546 O ARG A 37 13.346 3.175 -14.483 1.00 25.00 O ATOM 547 CB ARG A 37 13.846 2.675 -17.110 1.00 25.00 C ATOM 548 CG ARG A 37 13.941 2.608 -18.641 1.00 25.00 C ATOM 549 CD ARG A 37 12.880 3.480 -19.334 1.00 25.00 C ATOM 550 NE ARG A 37 11.509 3.029 -19.027 1.00 25.00 N ATOM 551 CZ ARG A 37 10.394 3.564 -19.517 1.00 25.00 C ATOM 552 NH1 ARG A 37 10.409 4.572 -20.355 1.00 25.00 N ATOM 553 NH2 ARG A 37 9.241 3.074 -19.154 1.00 25.00 N ATOM 0 H ARG A 37 16.274 3.051 -16.462 1.00 25.00 H new ATOM 0 HA ARG A 37 14.018 4.808 -17.087 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.390 1.830 -16.687 1.00 25.00 H new ATOM 0 HB3 ARG A 37 12.802 2.560 -16.818 1.00 25.00 H new ATOM 0 HG2 ARG A 37 14.934 2.931 -18.955 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.825 1.574 -18.964 1.00 25.00 H new ATOM 0 HD2 ARG A 37 13.000 4.516 -19.019 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.037 3.455 -20.412 1.00 25.00 H new ATOM 0 HE ARG A 37 11.408 2.242 -18.386 1.00 25.00 H new ATOM 0 HH11 ARG A 37 11.298 4.974 -20.654 1.00 25.00 H new ATOM 0 HH12 ARG A 37 9.532 4.954 -20.709 1.00 25.00 H new ATOM 0 HH21 ARG A 37 9.202 2.290 -18.502 1.00 25.00 H new ATOM 0 HH22 ARG A 37 8.378 3.474 -19.522 1.00 25.00 H new ATOM 567 N ARG A 38 14.191 5.259 -14.457 1.00 25.00 N ATOM 568 CA ARG A 38 13.730 5.554 -13.096 1.00 25.00 C ATOM 569 C ARG A 38 12.205 5.447 -13.100 1.00 25.00 C ATOM 570 O ARG A 38 11.559 5.863 -14.057 1.00 25.00 O ATOM 571 CB ARG A 38 14.197 6.948 -12.638 1.00 25.00 C ATOM 572 CG ARG A 38 13.985 8.062 -13.667 1.00 25.00 C ATOM 573 CD ARG A 38 15.315 8.526 -14.269 1.00 25.00 C ATOM 574 NE ARG A 38 15.122 9.211 -15.559 1.00 25.00 N ATOM 575 CZ ARG A 38 16.100 9.654 -16.346 1.00 25.00 C ATOM 576 NH1 ARG A 38 17.366 9.540 -16.026 1.00 25.00 N ATOM 577 NH2 ARG A 38 15.795 10.226 -17.479 1.00 25.00 N ATOM 0 H ARG A 38 14.724 6.011 -14.893 1.00 25.00 H new ATOM 0 HA ARG A 38 14.156 4.844 -12.387 1.00 25.00 H new ATOM 0 HB2 ARG A 38 13.667 7.211 -11.723 1.00 25.00 H new ATOM 0 HB3 ARG A 38 15.257 6.898 -12.390 1.00 25.00 H new ATOM 0 HG2 ARG A 38 13.329 7.706 -14.461 1.00 25.00 H new ATOM 0 HG3 ARG A 38 13.484 8.906 -13.194 1.00 25.00 H new ATOM 0 HD2 ARG A 38 15.815 9.198 -13.572 1.00 25.00 H new ATOM 0 HD3 ARG A 38 15.971 7.666 -14.408 1.00 25.00 H new ATOM 0 HE ARG A 38 14.163 9.357 -15.874 1.00 25.00 H new ATOM 0 HH11 ARG A 38 17.632 9.099 -15.146 1.00 25.00 H new ATOM 0 HH12 ARG A 38 18.085 9.893 -16.657 1.00 25.00 H new ATOM 0 HH21 ARG A 38 14.817 10.329 -17.751 1.00 25.00 H new ATOM 0 HH22 ARG A 38 16.534 10.570 -18.092 1.00 25.00 H new ATOM 591 N SER A 39 11.652 4.813 -12.077 1.00 25.00 N ATOM 592 CA SER A 39 10.221 4.508 -12.032 1.00 25.00 C ATOM 593 C SER A 39 9.688 4.614 -10.608 1.00 25.00 C ATOM 594 O SER A 39 10.462 4.600 -9.651 1.00 25.00 O ATOM 595 CB SER A 39 9.990 3.083 -12.546 1.00 25.00 C ATOM 596 OG SER A 39 10.459 2.939 -13.879 1.00 25.00 O ATOM 0 H SER A 39 12.173 4.496 -11.259 1.00 25.00 H new ATOM 0 HA SER A 39 9.694 5.228 -12.659 1.00 25.00 H new ATOM 0 HB2 SER A 39 10.502 2.372 -11.898 1.00 25.00 H new ATOM 0 HB3 SER A 39 8.927 2.845 -12.503 1.00 25.00 H new ATOM 0 HG SER A 39 11.437 3.000 -13.890 1.00 25.00 H new ATOM 602 N ARG A 40 8.369 4.706 -10.476 1.00 25.00 N ATOM 603 CA ARG A 40 7.710 4.753 -9.163 1.00 25.00 C ATOM 604 C ARG A 40 7.831 3.402 -8.447 1.00 25.00 C ATOM 605 O ARG A 40 8.042 2.373 -9.075 1.00 25.00 O ATOM 606 CB ARG A 40 6.216 5.110 -9.324 1.00 25.00 C ATOM 607 CG ARG A 40 5.420 4.132 -10.215 1.00 25.00 C ATOM 608 CD ARG A 40 3.983 3.922 -9.724 1.00 25.00 C ATOM 609 NE ARG A 40 3.083 5.054 -10.009 1.00 25.00 N ATOM 610 CZ ARG A 40 1.775 5.063 -9.757 1.00 25.00 C ATOM 611 NH1 ARG A 40 1.158 4.038 -9.217 1.00 25.00 N ATOM 612 NH2 ARG A 40 1.074 6.120 -10.065 1.00 25.00 N ATOM 0 H ARG A 40 7.725 4.750 -11.266 1.00 25.00 H new ATOM 0 HA ARG A 40 8.205 5.519 -8.566 1.00 25.00 H new ATOM 0 HB2 ARG A 40 5.754 5.142 -8.337 1.00 25.00 H new ATOM 0 HB3 ARG A 40 6.138 6.112 -9.745 1.00 25.00 H new ATOM 0 HG2 ARG A 40 5.399 4.512 -11.236 1.00 25.00 H new ATOM 0 HG3 ARG A 40 5.934 3.171 -10.243 1.00 25.00 H new ATOM 0 HD2 ARG A 40 3.578 3.023 -10.189 1.00 25.00 H new ATOM 0 HD3 ARG A 40 3.999 3.745 -8.649 1.00 25.00 H new ATOM 0 HE ARG A 40 3.491 5.889 -10.429 1.00 25.00 H new ATOM 0 HH11 ARG A 40 1.682 3.197 -8.975 1.00 25.00 H new ATOM 0 HH12 ARG A 40 0.155 4.083 -9.039 1.00 25.00 H new ATOM 0 HH21 ARG A 40 1.529 6.926 -10.493 1.00 25.00 H new ATOM 0 HH22 ARG A 40 0.072 6.140 -9.877 1.00 25.00 H new ATOM 626 N GLY A 41 7.620 3.417 -7.141 1.00 25.00 N ATOM 627 CA GLY A 41 7.587 2.198 -6.347 1.00 25.00 C ATOM 628 C GLY A 41 6.773 2.520 -5.115 1.00 25.00 C ATOM 629 O GLY A 41 6.565 3.706 -4.843 1.00 25.00 O ATOM 0 H GLY A 41 7.467 4.270 -6.603 1.00 25.00 H new ATOM 0 HA2 GLY A 41 7.136 1.380 -6.909 1.00 25.00 H new ATOM 0 HA3 GLY A 41 8.595 1.882 -6.076 1.00 25.00 H new ATOM 633 N ILE A 42 6.299 1.524 -4.375 1.00 25.00 N ATOM 634 CA ILE A 42 5.454 1.795 -3.203 1.00 25.00 C ATOM 635 C ILE A 42 6.247 2.507 -2.087 1.00 25.00 C ATOM 636 O ILE A 42 5.755 3.435 -1.457 1.00 25.00 O ATOM 637 CB ILE A 42 4.740 0.488 -2.694 1.00 25.00 C ATOM 638 CG1 ILE A 42 3.720 0.810 -1.586 1.00 25.00 C ATOM 639 CG2 ILE A 42 5.754 -0.561 -2.182 1.00 25.00 C ATOM 640 CD1 ILE A 42 2.476 1.578 -2.053 1.00 25.00 C ATOM 0 H ILE A 42 6.477 0.536 -4.556 1.00 25.00 H new ATOM 0 HA ILE A 42 4.666 2.482 -3.512 1.00 25.00 H new ATOM 0 HB ILE A 42 4.214 0.063 -3.549 1.00 25.00 H new ATOM 0 HG12 ILE A 42 3.400 -0.124 -1.125 1.00 25.00 H new ATOM 0 HG13 ILE A 42 4.219 1.393 -0.812 1.00 25.00 H new ATOM 0 HG21 ILE A 42 5.219 -1.447 -1.840 1.00 25.00 H new ATOM 0 HG22 ILE A 42 6.433 -0.836 -2.990 1.00 25.00 H new ATOM 0 HG23 ILE A 42 6.326 -0.141 -1.355 1.00 25.00 H new ATOM 0 HD11 ILE A 42 1.819 1.757 -1.202 1.00 25.00 H new ATOM 0 HD12 ILE A 42 2.778 2.532 -2.485 1.00 25.00 H new ATOM 0 HD13 ILE A 42 1.946 0.991 -2.803 1.00 25.00 H new ATOM 652 N VAL A 43 7.513 2.156 -1.914 1.00 25.00 N ATOM 653 CA VAL A 43 8.358 2.854 -0.943 1.00 25.00 C ATOM 654 C VAL A 43 8.614 4.271 -1.452 1.00 25.00 C ATOM 655 O VAL A 43 8.589 5.240 -0.704 1.00 25.00 O ATOM 656 CB VAL A 43 9.718 2.120 -0.757 1.00 25.00 C ATOM 657 CG1 VAL A 43 10.619 2.871 0.231 1.00 25.00 C ATOM 658 CG2 VAL A 43 9.482 0.689 -0.255 1.00 25.00 C ATOM 0 H VAL A 43 7.977 1.404 -2.423 1.00 25.00 H new ATOM 0 HA VAL A 43 7.848 2.876 0.020 1.00 25.00 H new ATOM 0 HB VAL A 43 10.218 2.087 -1.725 1.00 25.00 H new ATOM 0 HG11 VAL A 43 11.562 2.336 0.342 1.00 25.00 H new ATOM 0 HG12 VAL A 43 10.813 3.875 -0.145 1.00 25.00 H new ATOM 0 HG13 VAL A 43 10.123 2.936 1.199 1.00 25.00 H new ATOM 0 HG21 VAL A 43 10.440 0.185 -0.129 1.00 25.00 H new ATOM 0 HG22 VAL A 43 8.960 0.720 0.701 1.00 25.00 H new ATOM 0 HG23 VAL A 43 8.878 0.144 -0.981 1.00 25.00 H new ATOM 668 N GLU A 44 8.833 4.392 -2.748 1.00 25.00 N ATOM 669 CA GLU A 44 9.141 5.683 -3.345 1.00 25.00 C ATOM 670 C GLU A 44 7.996 6.690 -3.257 1.00 25.00 C ATOM 671 O GLU A 44 8.225 7.890 -3.243 1.00 25.00 O ATOM 672 CB GLU A 44 9.520 5.489 -4.800 1.00 25.00 C ATOM 673 CG GLU A 44 10.746 6.264 -5.191 1.00 25.00 C ATOM 674 CD GLU A 44 10.929 6.307 -6.679 1.00 25.00 C ATOM 675 OE1 GLU A 44 10.587 7.223 -7.371 1.00 25.00 O ATOM 676 OE2 GLU A 44 11.378 5.203 -7.164 1.00 25.00 O ATOM 0 H GLU A 44 8.804 3.615 -3.408 1.00 25.00 H new ATOM 0 HA GLU A 44 9.970 6.098 -2.772 1.00 25.00 H new ATOM 0 HB2 GLU A 44 9.691 4.429 -4.988 1.00 25.00 H new ATOM 0 HB3 GLU A 44 8.686 5.794 -5.432 1.00 25.00 H new ATOM 0 HG2 GLU A 44 10.671 7.281 -4.805 1.00 25.00 H new ATOM 0 HG3 GLU A 44 11.624 5.811 -4.730 1.00 25.00 H new ATOM 683 N GLU A 45 6.766 6.208 -3.213 1.00 25.00 N ATOM 684 CA GLU A 45 5.621 7.110 -3.154 1.00 25.00 C ATOM 685 C GLU A 45 5.151 7.387 -1.728 1.00 25.00 C ATOM 686 O GLU A 45 4.598 8.436 -1.493 1.00 25.00 O ATOM 687 CB GLU A 45 4.471 6.573 -4.013 1.00 25.00 C ATOM 688 CG GLU A 45 3.857 5.283 -3.502 1.00 25.00 C ATOM 689 CD GLU A 45 3.175 4.503 -4.579 1.00 25.00 C ATOM 690 OE1 GLU A 45 2.042 4.175 -4.528 1.00 25.00 O ATOM 691 OE2 GLU A 45 3.954 4.197 -5.570 1.00 25.00 O ATOM 0 H GLU A 45 6.533 5.215 -3.217 1.00 25.00 H new ATOM 0 HA GLU A 45 5.953 8.066 -3.558 1.00 25.00 H new ATOM 0 HB2 GLU A 45 3.692 7.333 -4.072 1.00 25.00 H new ATOM 0 HB3 GLU A 45 4.836 6.411 -5.027 1.00 25.00 H new ATOM 0 HG2 GLU A 45 4.636 4.668 -3.051 1.00 25.00 H new ATOM 0 HG3 GLU A 45 3.138 5.514 -2.716 1.00 25.00 H new ATOM 698 N CYS A 46 5.368 6.464 -0.792 1.00 25.00 N ATOM 699 CA CYS A 46 4.891 6.654 0.586 1.00 25.00 C ATOM 700 C CYS A 46 5.978 6.948 1.623 1.00 25.00 C ATOM 701 O CYS A 46 5.671 7.455 2.680 1.00 25.00 O ATOM 702 CB CYS A 46 4.108 5.426 1.050 1.00 25.00 C ATOM 703 SG CYS A 46 2.556 5.121 0.140 1.00 25.00 S ATOM 0 H CYS A 46 5.863 5.587 -0.954 1.00 25.00 H new ATOM 0 HA CYS A 46 4.264 7.544 0.533 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.747 4.548 0.956 1.00 25.00 H new ATOM 0 HB3 CYS A 46 3.876 5.539 2.109 1.00 25.00 H new ATOM 708 N CYS A 47 7.231 6.619 1.343 1.00 25.00 N ATOM 709 CA CYS A 47 8.314 6.873 2.306 1.00 25.00 C ATOM 710 C CYS A 47 9.170 8.048 1.839 1.00 25.00 C ATOM 711 O CYS A 47 9.443 8.967 2.597 1.00 25.00 O ATOM 712 CB CYS A 47 9.173 5.615 2.484 1.00 25.00 C ATOM 713 SG CYS A 47 10.405 5.740 3.821 1.00 25.00 S ATOM 0 H CYS A 47 7.529 6.181 0.471 1.00 25.00 H new ATOM 0 HA CYS A 47 7.875 7.128 3.270 1.00 25.00 H new ATOM 0 HB2 CYS A 47 8.519 4.767 2.685 1.00 25.00 H new ATOM 0 HB3 CYS A 47 9.689 5.405 1.547 1.00 25.00 H new ATOM 718 N PHE A 48 9.560 8.029 0.572 1.00 25.00 N ATOM 719 CA PHE A 48 10.328 9.139 -0.005 1.00 25.00 C ATOM 720 C PHE A 48 9.417 10.348 -0.230 1.00 25.00 C ATOM 721 O PHE A 48 9.873 11.490 -0.256 1.00 25.00 O ATOM 722 CB PHE A 48 10.936 8.735 -1.349 1.00 25.00 C ATOM 723 CG PHE A 48 12.122 7.820 -1.239 1.00 25.00 C ATOM 724 CD1 PHE A 48 13.425 8.345 -1.300 1.00 25.00 C ATOM 725 CD2 PHE A 48 11.954 6.428 -1.109 1.00 25.00 C ATOM 726 CE1 PHE A 48 14.553 7.494 -1.240 1.00 25.00 C ATOM 727 CE2 PHE A 48 13.071 5.567 -1.057 1.00 25.00 C ATOM 728 CZ PHE A 48 14.373 6.102 -1.117 1.00 25.00 C ATOM 0 H PHE A 48 9.363 7.267 -0.077 1.00 25.00 H new ATOM 0 HA PHE A 48 11.125 9.394 0.694 1.00 25.00 H new ATOM 0 HB2 PHE A 48 10.169 8.246 -1.950 1.00 25.00 H new ATOM 0 HB3 PHE A 48 11.235 9.636 -1.885 1.00 25.00 H new ATOM 0 HD1 PHE A 48 13.566 9.412 -1.394 1.00 25.00 H new ATOM 0 HD2 PHE A 48 10.958 6.014 -1.048 1.00 25.00 H new ATOM 0 HE1 PHE A 48 15.549 7.910 -1.288 1.00 25.00 H new ATOM 0 HE2 PHE A 48 12.928 4.500 -0.971 1.00 25.00 H new ATOM 0 HZ PHE A 48 15.230 5.447 -1.069 1.00 25.00 H new ATOM 738 N ARG A 49 8.133 10.081 -0.439 1.00 25.00 N ATOM 739 CA ARG A 49 7.129 11.129 -0.654 1.00 25.00 C ATOM 740 C ARG A 49 5.889 10.799 0.152 1.00 25.00 C ATOM 741 O ARG A 49 5.840 9.776 0.803 1.00 25.00 O ATOM 742 CB ARG A 49 6.754 11.223 -2.136 1.00 25.00 C ATOM 743 CG ARG A 49 7.911 11.624 -3.007 1.00 25.00 C ATOM 744 CD ARG A 49 7.445 12.004 -4.400 1.00 25.00 C ATOM 745 NE ARG A 49 6.905 13.377 -4.444 1.00 25.00 N ATOM 746 CZ ARG A 49 7.630 14.484 -4.583 1.00 25.00 C ATOM 747 NH1 ARG A 49 8.937 14.466 -4.684 1.00 25.00 N ATOM 748 NH2 ARG A 49 7.024 15.639 -4.619 1.00 25.00 N ATOM 0 H ARG A 49 7.754 9.134 -0.465 1.00 25.00 H new ATOM 0 HA ARG A 49 7.545 12.085 -0.336 1.00 25.00 H new ATOM 0 HB2 ARG A 49 6.371 10.259 -2.471 1.00 25.00 H new ATOM 0 HB3 ARG A 49 5.947 11.946 -2.256 1.00 25.00 H new ATOM 0 HG2 ARG A 49 8.436 12.465 -2.554 1.00 25.00 H new ATOM 0 HG3 ARG A 49 8.623 10.801 -3.071 1.00 25.00 H new ATOM 0 HD2 ARG A 49 8.278 11.919 -5.097 1.00 25.00 H new ATOM 0 HD3 ARG A 49 6.680 11.302 -4.731 1.00 25.00 H new ATOM 0 HE ARG A 49 5.894 13.486 -4.361 1.00 25.00 H new ATOM 0 HH11 ARG A 49 9.438 13.578 -4.657 1.00 25.00 H new ATOM 0 HH12 ARG A 49 9.452 15.340 -4.789 1.00 25.00 H new ATOM 0 HH21 ARG A 49 6.008 15.685 -4.541 1.00 25.00 H new ATOM 0 HH22 ARG A 49 7.566 16.496 -4.725 1.00 25.00 H new ATOM 762 N SER A 50 4.887 11.657 0.053 1.00 25.00 N ATOM 763 CA SER A 50 3.577 11.407 0.667 1.00 25.00 C ATOM 764 C SER A 50 2.706 10.704 -0.373 1.00 25.00 C ATOM 765 O SER A 50 2.882 10.933 -1.578 1.00 25.00 O ATOM 766 CB SER A 50 2.923 12.727 1.095 1.00 25.00 C ATOM 767 OG SER A 50 1.643 12.505 1.663 1.00 25.00 O ATOM 0 H SER A 50 4.949 12.542 -0.450 1.00 25.00 H new ATOM 0 HA SER A 50 3.690 10.788 1.557 1.00 25.00 H new ATOM 0 HB2 SER A 50 3.562 13.234 1.818 1.00 25.00 H new ATOM 0 HB3 SER A 50 2.831 13.387 0.232 1.00 25.00 H new ATOM 0 HG SER A 50 1.692 11.760 2.298 1.00 25.00 H new ATOM 773 N CYS A 51 1.771 9.870 0.071 1.00 25.00 N ATOM 774 CA CYS A 51 0.897 9.126 -0.843 1.00 25.00 C ATOM 775 C CYS A 51 -0.569 9.193 -0.408 1.00 25.00 C ATOM 776 O CYS A 51 -0.901 9.785 0.611 1.00 25.00 O ATOM 777 CB CYS A 51 1.372 7.670 -0.961 1.00 25.00 C ATOM 778 SG CYS A 51 1.377 6.716 0.588 1.00 25.00 S ATOM 0 H CYS A 51 1.595 9.689 1.059 1.00 25.00 H new ATOM 0 HA CYS A 51 0.960 9.595 -1.825 1.00 25.00 H new ATOM 0 HB2 CYS A 51 0.735 7.156 -1.681 1.00 25.00 H new ATOM 0 HB3 CYS A 51 2.382 7.668 -1.371 1.00 25.00 H new ATOM 783 N ASP A 52 -1.461 8.636 -1.219 1.00 25.00 N ATOM 784 CA ASP A 52 -2.903 8.722 -0.964 1.00 25.00 C ATOM 785 C ASP A 52 -3.544 7.339 -1.036 1.00 25.00 C ATOM 786 O ASP A 52 -2.993 6.437 -1.653 1.00 25.00 O ATOM 787 CB ASP A 52 -3.570 9.630 -2.006 1.00 25.00 C ATOM 788 CG ASP A 52 -2.978 11.016 -2.052 1.00 25.00 C ATOM 789 OD1 ASP A 52 -2.848 11.629 -3.070 1.00 25.00 O ATOM 790 OD2 ASP A 52 -2.647 11.502 -0.894 1.00 25.00 O ATOM 0 H ASP A 52 -1.215 8.118 -2.062 1.00 25.00 H new ATOM 0 HA ASP A 52 -3.045 9.136 0.034 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -3.479 9.170 -2.990 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -4.635 9.704 -1.786 1.00 25.00 H new ATOM 795 N LEU A 53 -4.723 7.199 -0.444 1.00 25.00 N ATOM 796 CA LEU A 53 -5.445 5.919 -0.382 1.00 25.00 C ATOM 797 C LEU A 53 -5.680 5.248 -1.741 1.00 25.00 C ATOM 798 O LEU A 53 -5.357 4.080 -1.922 1.00 25.00 O ATOM 799 CB LEU A 53 -6.803 6.165 0.295 1.00 25.00 C ATOM 800 CG LEU A 53 -7.745 4.959 0.463 1.00 25.00 C ATOM 801 CD1 LEU A 53 -7.139 3.906 1.363 1.00 25.00 C ATOM 802 CD2 LEU A 53 -9.074 5.432 1.043 1.00 25.00 C ATOM 0 H LEU A 53 -5.214 7.969 0.011 1.00 25.00 H new ATOM 0 HA LEU A 53 -4.813 5.233 0.183 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -6.615 6.584 1.283 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -7.331 6.926 -0.279 1.00 25.00 H new ATOM 0 HG LEU A 53 -7.905 4.510 -0.517 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -7.830 3.069 1.460 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -6.202 3.555 0.932 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -6.948 4.334 2.347 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -9.743 4.580 1.163 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -8.902 5.898 2.013 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -9.528 6.157 0.368 1.00 25.00 H new ATOM 814 N ALA A 54 -6.242 5.989 -2.688 1.00 25.00 N ATOM 815 CA ALA A 54 -6.558 5.437 -4.008 1.00 25.00 C ATOM 816 C ALA A 54 -5.295 4.978 -4.729 1.00 25.00 C ATOM 817 O ALA A 54 -5.290 3.963 -5.407 1.00 25.00 O ATOM 818 CB ALA A 54 -7.294 6.491 -4.839 1.00 25.00 C ATOM 0 H ALA A 54 -6.489 6.972 -2.571 1.00 25.00 H new ATOM 0 HA ALA A 54 -7.200 4.566 -3.877 1.00 25.00 H new ATOM 0 HB1 ALA A 54 -7.529 6.081 -5.821 1.00 25.00 H new ATOM 0 HB2 ALA A 54 -8.217 6.774 -4.333 1.00 25.00 H new ATOM 0 HB3 ALA A 54 -6.660 7.370 -4.955 1.00 25.00 H new ATOM 824 N LEU A 55 -4.219 5.726 -4.553 1.00 25.00 N ATOM 825 CA LEU A 55 -2.943 5.371 -5.146 1.00 25.00 C ATOM 826 C LEU A 55 -2.422 4.081 -4.510 1.00 25.00 C ATOM 827 O LEU A 55 -1.978 3.175 -5.202 1.00 25.00 O ATOM 828 CB LEU A 55 -1.950 6.518 -4.922 1.00 25.00 C ATOM 829 CG LEU A 55 -0.462 6.161 -5.009 1.00 25.00 C ATOM 830 CD1 LEU A 55 -0.081 5.631 -6.384 1.00 25.00 C ATOM 831 CD2 LEU A 55 0.372 7.371 -4.664 1.00 25.00 C ATOM 0 H LEU A 55 -4.205 6.585 -4.003 1.00 25.00 H new ATOM 0 HA LEU A 55 -3.063 5.206 -6.217 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -2.157 7.297 -5.656 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -2.141 6.947 -3.939 1.00 25.00 H new ATOM 0 HG LEU A 55 -0.267 5.364 -4.291 1.00 25.00 H new ATOM 0 HD11 LEU A 55 0.982 5.391 -6.400 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.659 4.733 -6.601 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -0.293 6.389 -7.138 1.00 25.00 H new ATOM 0 HD21 LEU A 55 1.429 7.114 -4.727 1.00 25.00 H new ATOM 0 HD22 LEU A 55 0.152 8.176 -5.365 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.138 7.698 -3.651 1.00 25.00 H new ATOM 843 N LEU A 56 -2.468 4.004 -3.193 1.00 25.00 N ATOM 844 CA LEU A 56 -1.909 2.864 -2.481 1.00 25.00 C ATOM 845 C LEU A 56 -2.618 1.558 -2.857 1.00 25.00 C ATOM 846 O LEU A 56 -1.987 0.512 -2.997 1.00 25.00 O ATOM 847 CB LEU A 56 -1.990 3.124 -0.973 1.00 25.00 C ATOM 848 CG LEU A 56 -1.057 2.261 -0.121 1.00 25.00 C ATOM 849 CD1 LEU A 56 -0.529 3.085 1.040 1.00 25.00 C ATOM 850 CD2 LEU A 56 -1.758 1.023 0.414 1.00 25.00 C ATOM 0 H LEU A 56 -2.886 4.715 -2.593 1.00 25.00 H new ATOM 0 HA LEU A 56 -0.865 2.747 -2.771 1.00 25.00 H new ATOM 0 HB2 LEU A 56 -1.762 4.173 -0.787 1.00 25.00 H new ATOM 0 HB3 LEU A 56 -3.016 2.958 -0.645 1.00 25.00 H new ATOM 0 HG LEU A 56 -0.236 1.929 -0.756 1.00 25.00 H new ATOM 0 HD11 LEU A 56 0.136 2.472 1.648 1.00 25.00 H new ATOM 0 HD12 LEU A 56 0.020 3.945 0.656 1.00 25.00 H new ATOM 0 HD13 LEU A 56 -1.364 3.430 1.650 1.00 25.00 H new ATOM 0 HD21 LEU A 56 -1.059 0.439 1.013 1.00 25.00 H new ATOM 0 HD22 LEU A 56 -2.604 1.323 1.033 1.00 25.00 H new ATOM 0 HD23 LEU A 56 -2.115 0.418 -0.420 1.00 25.00 H new ATOM 862 N GLU A 57 -3.917 1.654 -3.098 1.00 25.00 N ATOM 863 CA GLU A 57 -4.739 0.510 -3.498 1.00 25.00 C ATOM 864 C GLU A 57 -4.269 -0.150 -4.804 1.00 25.00 C ATOM 865 O GLU A 57 -4.518 -1.327 -5.042 1.00 25.00 O ATOM 866 CB GLU A 57 -6.185 0.998 -3.658 1.00 25.00 C ATOM 867 CG GLU A 57 -7.219 -0.107 -3.773 1.00 25.00 C ATOM 868 CD GLU A 57 -8.623 0.424 -3.778 1.00 25.00 C ATOM 869 OE1 GLU A 57 -9.024 1.258 -4.542 1.00 25.00 O ATOM 870 OE2 GLU A 57 -9.369 -0.086 -2.865 1.00 25.00 O ATOM 0 H GLU A 57 -4.437 2.528 -3.023 1.00 25.00 H new ATOM 0 HA GLU A 57 -4.653 -0.252 -2.723 1.00 25.00 H new ATOM 0 HB2 GLU A 57 -6.438 1.626 -2.804 1.00 25.00 H new ATOM 0 HB3 GLU A 57 -6.245 1.627 -4.546 1.00 25.00 H new ATOM 0 HG2 GLU A 57 -7.043 -0.672 -4.689 1.00 25.00 H new ATOM 0 HG3 GLU A 57 -7.099 -0.802 -2.942 1.00 25.00 H new ATOM 878 N THR A 58 -3.574 0.599 -5.645 1.00 25.00 N ATOM 879 CA THR A 58 -3.112 0.071 -6.932 1.00 25.00 C ATOM 880 C THR A 58 -1.989 -0.966 -6.794 1.00 25.00 C ATOM 881 O THR A 58 -1.673 -1.663 -7.750 1.00 25.00 O ATOM 882 CB THR A 58 -2.685 1.201 -7.900 1.00 25.00 C ATOM 883 OG1 THR A 58 -1.494 1.842 -7.430 1.00 25.00 O ATOM 884 CG2 THR A 58 -3.796 2.253 -8.012 1.00 25.00 C ATOM 0 H THR A 58 -3.315 1.570 -5.467 1.00 25.00 H new ATOM 0 HA THR A 58 -3.973 -0.444 -7.358 1.00 25.00 H new ATOM 0 HB THR A 58 -2.498 0.754 -8.876 1.00 25.00 H new ATOM 0 HG1 THR A 58 -1.727 2.504 -6.746 1.00 25.00 H new ATOM 0 HG21 THR A 58 -3.483 3.042 -8.696 1.00 25.00 H new ATOM 0 HG22 THR A 58 -4.704 1.784 -8.391 1.00 25.00 H new ATOM 0 HG23 THR A 58 -3.992 2.682 -7.029 1.00 25.00 H new ATOM 892 N TYR A 59 -1.379 -1.051 -5.617 1.00 25.00 N ATOM 893 CA TYR A 59 -0.306 -2.023 -5.364 1.00 25.00 C ATOM 894 C TYR A 59 -0.828 -3.331 -4.759 1.00 25.00 C ATOM 895 O TYR A 59 -0.049 -4.220 -4.393 1.00 25.00 O ATOM 896 CB TYR A 59 0.759 -1.403 -4.457 1.00 25.00 C ATOM 897 CG TYR A 59 1.751 -0.580 -5.241 1.00 25.00 C ATOM 898 CD1 TYR A 59 2.930 -1.172 -5.739 1.00 25.00 C ATOM 899 CD2 TYR A 59 1.519 0.784 -5.511 1.00 25.00 C ATOM 900 CE1 TYR A 59 3.858 -0.418 -6.500 1.00 25.00 C ATOM 901 CE2 TYR A 59 2.444 1.538 -6.279 1.00 25.00 C ATOM 902 CZ TYR A 59 3.606 0.928 -6.762 1.00 25.00 C ATOM 903 OH TYR A 59 4.510 1.637 -7.511 1.00 25.00 O ATOM 0 H TYR A 59 -1.605 -0.460 -4.817 1.00 25.00 H new ATOM 0 HA TYR A 59 0.137 -2.275 -6.328 1.00 25.00 H new ATOM 0 HB2 TYR A 59 0.278 -0.775 -3.707 1.00 25.00 H new ATOM 0 HB3 TYR A 59 1.285 -2.193 -3.921 1.00 25.00 H new ATOM 0 HD1 TYR A 59 3.129 -2.214 -5.538 1.00 25.00 H new ATOM 0 HD2 TYR A 59 0.628 1.260 -5.129 1.00 25.00 H new ATOM 0 HE1 TYR A 59 4.757 -0.884 -6.875 1.00 25.00 H new ATOM 0 HE2 TYR A 59 2.251 2.580 -6.490 1.00 25.00 H new ATOM 0 HH TYR A 59 4.955 1.035 -8.143 1.00 25.00 H new ATOM 913 N CYS A 60 -2.141 -3.462 -4.672 1.00 25.00 N ATOM 914 CA CYS A 60 -2.742 -4.698 -4.189 1.00 25.00 C ATOM 915 C CYS A 60 -2.750 -5.754 -5.298 1.00 25.00 C ATOM 916 O CYS A 60 -2.601 -5.435 -6.477 1.00 25.00 O ATOM 917 CB CYS A 60 -4.148 -4.422 -3.683 1.00 25.00 C ATOM 918 SG CYS A 60 -4.117 -3.167 -2.367 1.00 25.00 S ATOM 0 H CYS A 60 -2.809 -2.734 -4.927 1.00 25.00 H new ATOM 0 HA CYS A 60 -2.149 -5.088 -3.362 1.00 25.00 H new ATOM 0 HB2 CYS A 60 -4.776 -4.079 -4.505 1.00 25.00 H new ATOM 0 HB3 CYS A 60 -4.592 -5.343 -3.305 1.00 25.00 H new ATOM 923 N ALA A 61 -2.876 -7.013 -4.908 1.00 25.00 N ATOM 924 CA ALA A 61 -2.811 -8.122 -5.850 1.00 25.00 C ATOM 925 C ALA A 61 -4.119 -8.262 -6.643 1.00 25.00 C ATOM 926 O ALA A 61 -5.163 -7.724 -6.264 1.00 25.00 O ATOM 927 CB ALA A 61 -2.491 -9.419 -5.093 1.00 25.00 C ATOM 0 H ALA A 61 -3.025 -7.294 -3.939 1.00 25.00 H new ATOM 0 HA ALA A 61 -2.017 -7.921 -6.569 1.00 25.00 H new ATOM 0 HB1 ALA A 61 -2.442 -10.249 -5.798 1.00 25.00 H new ATOM 0 HB2 ALA A 61 -1.532 -9.317 -4.586 1.00 25.00 H new ATOM 0 HB3 ALA A 61 -3.272 -9.613 -4.357 1.00 25.00 H new ATOM 933 N THR A 62 -4.051 -9.001 -7.739 1.00 25.00 N ATOM 934 CA THR A 62 -5.188 -9.218 -8.617 1.00 25.00 C ATOM 935 C THR A 62 -5.572 -10.702 -8.577 1.00 25.00 C ATOM 936 O THR A 62 -4.742 -11.556 -8.260 1.00 25.00 O ATOM 937 CB THR A 62 -4.826 -8.811 -10.066 1.00 25.00 C ATOM 938 OG1 THR A 62 -3.628 -9.485 -10.461 1.00 25.00 O ATOM 939 CG2 THR A 62 -4.573 -7.312 -10.162 1.00 25.00 C ATOM 0 H THR A 62 -3.199 -9.470 -8.046 1.00 25.00 H new ATOM 0 HA THR A 62 -6.028 -8.609 -8.282 1.00 25.00 H new ATOM 0 HB THR A 62 -5.660 -9.082 -10.713 1.00 25.00 H new ATOM 0 HG1 THR A 62 -3.397 -9.231 -11.379 1.00 25.00 H new ATOM 0 HG21 THR A 62 -4.320 -7.051 -11.190 1.00 25.00 H new ATOM 0 HG22 THR A 62 -5.470 -6.772 -9.860 1.00 25.00 H new ATOM 0 HG23 THR A 62 -3.747 -7.040 -9.505 1.00 25.00 H new ATOM 947 N PRO A 63 -6.848 -11.022 -8.859 1.00 25.00 N ATOM 948 CA PRO A 63 -7.293 -12.420 -8.811 1.00 25.00 C ATOM 949 C PRO A 63 -6.801 -13.255 -9.992 1.00 25.00 C ATOM 950 O PRO A 63 -6.402 -12.718 -11.024 1.00 25.00 O ATOM 951 CB PRO A 63 -8.816 -12.286 -8.840 1.00 25.00 C ATOM 952 CG PRO A 63 -9.053 -11.066 -9.641 1.00 25.00 C ATOM 953 CD PRO A 63 -7.955 -10.119 -9.220 1.00 25.00 C ATOM 0 HA PRO A 63 -6.901 -12.942 -7.938 1.00 25.00 H new ATOM 0 HB2 PRO A 63 -9.285 -13.159 -9.294 1.00 25.00 H new ATOM 0 HB3 PRO A 63 -9.227 -12.190 -7.835 1.00 25.00 H new ATOM 0 HG2 PRO A 63 -9.007 -11.277 -10.709 1.00 25.00 H new ATOM 0 HG3 PRO A 63 -10.038 -10.645 -9.441 1.00 25.00 H new ATOM 0 HD2 PRO A 63 -7.675 -9.443 -10.028 1.00 25.00 H new ATOM 0 HD3 PRO A 63 -8.260 -9.499 -8.377 1.00 25.00 H new ATOM 961 N ALA A 64 -6.859 -14.571 -9.839 1.00 25.00 N ATOM 962 CA ALA A 64 -6.411 -15.500 -10.872 1.00 25.00 C ATOM 963 C ALA A 64 -7.557 -16.428 -11.290 1.00 25.00 C ATOM 964 O ALA A 64 -8.574 -16.527 -10.609 1.00 25.00 O ATOM 965 CB ALA A 64 -5.222 -16.320 -10.344 1.00 25.00 C ATOM 0 H ALA A 64 -7.216 -15.025 -8.999 1.00 25.00 H new ATOM 0 HA ALA A 64 -6.094 -14.934 -11.748 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -4.887 -17.014 -11.115 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -4.405 -15.648 -10.081 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -5.530 -16.880 -9.461 1.00 25.00 H new ATOM 971 N LYS A 65 -7.372 -17.116 -12.411 1.00 25.00 N ATOM 972 CA LYS A 65 -8.357 -18.091 -12.889 1.00 25.00 C ATOM 973 C LYS A 65 -8.410 -19.278 -11.925 1.00 25.00 C ATOM 974 O LYS A 65 -7.462 -19.517 -11.190 1.00 25.00 O ATOM 975 CB LYS A 65 -7.996 -18.571 -14.306 1.00 25.00 C ATOM 976 CG LYS A 65 -6.686 -19.363 -14.397 1.00 25.00 C ATOM 977 CD LYS A 65 -6.399 -19.783 -15.833 1.00 25.00 C ATOM 978 CE LYS A 65 -5.137 -20.641 -15.908 1.00 25.00 C ATOM 979 NZ LYS A 65 -4.827 -21.051 -17.324 1.00 25.00 N ATOM 0 H LYS A 65 -6.551 -17.020 -13.009 1.00 25.00 H new ATOM 0 HA LYS A 65 -9.337 -17.616 -12.929 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -8.808 -19.193 -14.683 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -7.927 -17.704 -14.963 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -5.863 -18.755 -14.021 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -6.746 -20.246 -13.761 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -7.247 -20.341 -16.229 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -6.280 -18.898 -16.458 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -4.294 -20.086 -15.497 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -5.264 -21.530 -15.291 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -3.964 -21.632 -17.336 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -5.621 -21.602 -17.708 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -4.681 -20.202 -17.907 1.00 25.00 H new ATOM 993 N SER A 66 -9.512 -20.019 -11.972 1.00 25.00 N ATOM 994 CA SER A 66 -9.734 -21.204 -11.122 1.00 25.00 C ATOM 995 C SER A 66 -9.722 -20.832 -9.632 1.00 25.00 C ATOM 996 O SER A 66 -9.320 -21.594 -8.762 1.00 25.00 O ATOM 997 CB SER A 66 -8.697 -22.299 -11.424 1.00 25.00 C ATOM 998 OG SER A 66 -9.200 -23.593 -11.126 1.00 25.00 O ATOM 0 H SER A 66 -10.288 -19.820 -12.603 1.00 25.00 H new ATOM 0 HA SER A 66 -10.722 -21.600 -11.357 1.00 25.00 H new ATOM 0 HB2 SER A 66 -8.413 -22.252 -12.475 1.00 25.00 H new ATOM 0 HB3 SER A 66 -7.794 -22.116 -10.841 1.00 25.00 H new ATOM 0 HG SER A 66 -8.517 -24.265 -11.331 1.00 25.00 H new ATOM 1004 N GLU A 67 -10.226 -19.636 -9.336 1.00 25.00 N ATOM 1005 CA GLU A 67 -10.365 -19.150 -7.960 1.00 25.00 C ATOM 1006 C GLU A 67 -11.527 -19.858 -7.233 1.00 25.00 C ATOM 1007 O GLU A 67 -11.223 -21.062 -6.841 1.00 25.00 O ATOM 1008 CB GLU A 67 -10.435 -17.594 -7.934 1.00 25.00 C ATOM 1009 CG GLU A 67 -11.563 -17.021 -8.833 1.00 25.00 C ATOM 1010 CD GLU A 67 -11.346 -15.557 -9.105 1.00 25.00 C ATOM 1011 OE1 GLU A 67 -11.108 -14.720 -8.267 1.00 25.00 O ATOM 1012 OE2 GLU A 67 -11.449 -15.248 -10.353 1.00 25.00 O ATOM 0 H GLU A 67 -10.550 -18.974 -10.041 1.00 25.00 H new ATOM 0 HA GLU A 67 -9.475 -19.414 -7.389 1.00 25.00 H new ATOM 0 HB2 GLU A 67 -10.591 -17.260 -6.908 1.00 25.00 H new ATOM 0 HB3 GLU A 67 -9.477 -17.188 -8.259 1.00 25.00 H new ATOM 0 HG2 GLU A 67 -11.595 -17.568 -9.775 1.00 25.00 H new ATOM 0 HG3 GLU A 67 -12.528 -17.165 -8.347 1.00 25.00 H new TER 1019 GLU A 67