USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=15 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 -60:sc= 0.0786 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00872 USER MOD Single : A 16 THR OG1 : rot 73:sc= 0.953 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0171 USER MOD Single : A 33 SER OG : rot 170:sc= -0.297 USER MOD Single : A 36 SER OG : rot 180:sc= 0.143 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -66:sc= 1.01 USER MOD Single : A 59 TYR OH : rot -163:sc= 0.00965 USER MOD Single : A 62 THR OG1 : rot -24:sc= 2.08 USER MOD Single : A 65 LYS NZ :NH3+ -133:sc= 1.03 (180deg=-0.271) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.371 22.302 9.313 1.00 25.00 N ATOM 2 CA ALA A 1 -5.122 21.734 9.851 1.00 25.00 C ATOM 3 C ALA A 1 -4.817 20.319 9.358 1.00 25.00 C ATOM 4 O ALA A 1 -5.679 19.478 9.207 1.00 25.00 O ATOM 5 CB ALA A 1 -5.216 21.749 11.385 1.00 25.00 C ATOM 0 H1 ALA A 1 -6.508 23.261 9.692 1.00 25.00 H new ATOM 0 H2 ALA A 1 -6.314 22.345 8.275 1.00 25.00 H new ATOM 0 H3 ALA A 1 -7.173 21.702 9.591 1.00 25.00 H new ATOM 0 HA ALA A 1 -4.298 22.350 9.490 1.00 25.00 H new ATOM 0 HB1 ALA A 1 -4.302 21.333 11.810 1.00 25.00 H new ATOM 0 HB2 ALA A 1 -5.343 22.775 11.732 1.00 25.00 H new ATOM 0 HB3 ALA A 1 -6.069 21.150 11.703 1.00 25.00 H new ATOM 10 N TYR A 2 -3.528 20.053 9.120 1.00 25.00 N ATOM 11 CA TYR A 2 -3.066 18.738 8.683 1.00 25.00 C ATOM 12 C TYR A 2 -2.210 18.119 9.779 1.00 25.00 C ATOM 13 O TYR A 2 -1.799 18.808 10.711 1.00 25.00 O ATOM 14 CB TYR A 2 -2.277 18.850 7.380 1.00 25.00 C ATOM 15 CG TYR A 2 -2.478 17.649 6.483 1.00 25.00 C ATOM 16 CD1 TYR A 2 -1.484 16.656 6.355 1.00 25.00 C ATOM 17 CD2 TYR A 2 -3.682 17.489 5.766 1.00 25.00 C ATOM 18 CE1 TYR A 2 -1.692 15.522 5.516 1.00 25.00 C ATOM 19 CE2 TYR A 2 -3.888 16.362 4.930 1.00 25.00 C ATOM 20 CZ TYR A 2 -2.891 15.393 4.810 1.00 25.00 C ATOM 21 OH TYR A 2 -3.103 14.310 3.998 1.00 25.00 O ATOM 0 H TYR A 2 -2.782 20.741 9.225 1.00 25.00 H new ATOM 0 HA TYR A 2 -3.928 18.097 8.495 1.00 25.00 H new ATOM 0 HB2 TYR A 2 -2.582 19.752 6.850 1.00 25.00 H new ATOM 0 HB3 TYR A 2 -1.217 18.957 7.608 1.00 25.00 H new ATOM 0 HD1 TYR A 2 -0.556 16.756 6.898 1.00 25.00 H new ATOM 0 HD2 TYR A 2 -4.458 18.235 5.855 1.00 25.00 H new ATOM 0 HE1 TYR A 2 -0.926 14.766 5.427 1.00 25.00 H new ATOM 0 HE2 TYR A 2 -4.815 16.254 4.387 1.00 25.00 H new ATOM 0 HH TYR A 2 -3.989 14.379 3.585 1.00 25.00 H new ATOM 31 N ARG A 3 -1.962 16.821 9.679 1.00 25.00 N ATOM 32 CA ARG A 3 -1.225 16.090 10.710 1.00 25.00 C ATOM 33 C ARG A 3 0.175 15.683 10.233 1.00 25.00 C ATOM 34 O ARG A 3 0.378 15.446 9.041 1.00 25.00 O ATOM 35 CB ARG A 3 -2.034 14.852 11.123 1.00 25.00 C ATOM 36 CG ARG A 3 -2.236 13.820 10.009 1.00 25.00 C ATOM 37 CD ARG A 3 -3.279 12.788 10.416 1.00 25.00 C ATOM 38 NE ARG A 3 -3.482 11.780 9.362 1.00 25.00 N ATOM 39 CZ ARG A 3 -4.451 10.870 9.346 1.00 25.00 C ATOM 40 NH1 ARG A 3 -5.352 10.790 10.297 1.00 25.00 N ATOM 41 NH2 ARG A 3 -4.519 10.029 8.352 1.00 25.00 N ATOM 0 H ARG A 3 -2.261 16.246 8.891 1.00 25.00 H new ATOM 0 HA ARG A 3 -1.089 16.748 11.569 1.00 25.00 H new ATOM 0 HB2 ARG A 3 -1.531 14.369 11.961 1.00 25.00 H new ATOM 0 HB3 ARG A 3 -3.011 15.176 11.481 1.00 25.00 H new ATOM 0 HG2 ARG A 3 -2.551 14.322 9.094 1.00 25.00 H new ATOM 0 HG3 ARG A 3 -1.291 13.323 9.791 1.00 25.00 H new ATOM 0 HD2 ARG A 3 -2.965 12.295 11.336 1.00 25.00 H new ATOM 0 HD3 ARG A 3 -4.224 13.288 10.629 1.00 25.00 H new ATOM 0 HE ARG A 3 -2.826 11.780 8.581 1.00 25.00 H new ATOM 0 HH11 ARG A 3 -5.323 11.440 11.083 1.00 25.00 H new ATOM 0 HH12 ARG A 3 -6.081 10.078 10.250 1.00 25.00 H new ATOM 0 HH21 ARG A 3 -3.833 10.074 7.598 1.00 25.00 H new ATOM 0 HH22 ARG A 3 -5.258 9.326 8.328 1.00 25.00 H new ATOM 55 N PRO A 4 1.153 15.592 11.157 1.00 25.00 N ATOM 56 CA PRO A 4 2.502 15.162 10.772 1.00 25.00 C ATOM 57 C PRO A 4 2.573 13.650 10.539 1.00 25.00 C ATOM 58 O PRO A 4 1.562 12.961 10.651 1.00 25.00 O ATOM 59 CB PRO A 4 3.339 15.572 11.990 1.00 25.00 C ATOM 60 CG PRO A 4 2.416 15.382 13.124 1.00 25.00 C ATOM 61 CD PRO A 4 1.080 15.862 12.610 1.00 25.00 C ATOM 0 HA PRO A 4 2.841 15.604 9.835 1.00 25.00 H new ATOM 0 HB2 PRO A 4 4.231 14.953 12.091 1.00 25.00 H new ATOM 0 HB3 PRO A 4 3.675 16.606 11.916 1.00 25.00 H new ATOM 0 HG2 PRO A 4 2.372 14.336 13.428 1.00 25.00 H new ATOM 0 HG3 PRO A 4 2.735 15.954 13.995 1.00 25.00 H new ATOM 0 HD2 PRO A 4 0.254 15.326 13.077 1.00 25.00 H new ATOM 0 HD3 PRO A 4 0.928 16.922 12.814 1.00 25.00 H new ATOM 69 N SER A 5 3.774 13.150 10.243 1.00 25.00 N ATOM 70 CA SER A 5 4.021 11.710 10.027 1.00 25.00 C ATOM 71 C SER A 5 3.158 11.151 8.895 1.00 25.00 C ATOM 72 O SER A 5 2.529 10.108 9.021 1.00 25.00 O ATOM 73 CB SER A 5 3.795 10.916 11.322 1.00 25.00 C ATOM 74 OG SER A 5 4.358 9.621 11.215 1.00 25.00 O ATOM 0 H SER A 5 4.609 13.727 10.145 1.00 25.00 H new ATOM 0 HA SER A 5 5.064 11.600 9.731 1.00 25.00 H new ATOM 0 HB2 SER A 5 4.243 11.445 12.163 1.00 25.00 H new ATOM 0 HB3 SER A 5 2.727 10.839 11.526 1.00 25.00 H new ATOM 0 HG SER A 5 3.931 9.139 10.476 1.00 25.00 H new ATOM 80 N GLU A 6 3.131 11.883 7.791 1.00 25.00 N ATOM 81 CA GLU A 6 2.322 11.517 6.625 1.00 25.00 C ATOM 82 C GLU A 6 2.901 10.320 5.878 1.00 25.00 C ATOM 83 O GLU A 6 2.201 9.620 5.157 1.00 25.00 O ATOM 84 CB GLU A 6 2.269 12.704 5.660 1.00 25.00 C ATOM 85 CG GLU A 6 1.829 14.001 6.329 1.00 25.00 C ATOM 86 CD GLU A 6 1.803 15.167 5.376 1.00 25.00 C ATOM 87 OE1 GLU A 6 1.956 16.301 5.716 1.00 25.00 O ATOM 88 OE2 GLU A 6 1.607 14.837 4.148 1.00 25.00 O ATOM 0 H GLU A 6 3.664 12.744 7.673 1.00 25.00 H new ATOM 0 HA GLU A 6 1.328 11.251 6.985 1.00 25.00 H new ATOM 0 HB2 GLU A 6 3.254 12.848 5.216 1.00 25.00 H new ATOM 0 HB3 GLU A 6 1.583 12.472 4.845 1.00 25.00 H new ATOM 0 HG2 GLU A 6 0.836 13.865 6.758 1.00 25.00 H new ATOM 0 HG3 GLU A 6 2.504 14.227 7.154 1.00 25.00 H new ATOM 96 N THR A 7 4.201 10.135 6.023 1.00 25.00 N ATOM 97 CA THR A 7 4.912 9.064 5.333 1.00 25.00 C ATOM 98 C THR A 7 4.848 7.740 6.077 1.00 25.00 C ATOM 99 O THR A 7 4.741 7.681 7.303 1.00 25.00 O ATOM 100 CB THR A 7 6.395 9.443 5.128 1.00 25.00 C ATOM 101 OG1 THR A 7 6.942 9.910 6.366 1.00 25.00 O ATOM 102 CG2 THR A 7 6.533 10.559 4.110 1.00 25.00 C ATOM 0 H THR A 7 4.793 10.716 6.617 1.00 25.00 H new ATOM 0 HA THR A 7 4.413 8.938 4.372 1.00 25.00 H new ATOM 0 HB THR A 7 6.923 8.558 4.774 1.00 25.00 H new ATOM 0 HG1 THR A 7 7.884 10.149 6.238 1.00 25.00 H new ATOM 0 HG21 THR A 7 7.587 10.808 3.983 1.00 25.00 H new ATOM 0 HG22 THR A 7 6.120 10.234 3.155 1.00 25.00 H new ATOM 0 HG23 THR A 7 5.992 11.439 4.459 1.00 25.00 H new ATOM 110 N LEU A 8 4.929 6.671 5.302 1.00 25.00 N ATOM 111 CA LEU A 8 4.887 5.312 5.808 1.00 25.00 C ATOM 112 C LEU A 8 6.118 4.568 5.369 1.00 25.00 C ATOM 113 O LEU A 8 6.498 4.590 4.205 1.00 25.00 O ATOM 114 CB LEU A 8 3.700 4.565 5.229 1.00 25.00 C ATOM 115 CG LEU A 8 2.300 5.002 5.610 1.00 25.00 C ATOM 116 CD1 LEU A 8 1.304 4.324 4.696 1.00 25.00 C ATOM 117 CD2 LEU A 8 1.983 4.700 7.069 1.00 25.00 C ATOM 0 H LEU A 8 5.027 6.726 4.288 1.00 25.00 H new ATOM 0 HA LEU A 8 4.818 5.365 6.894 1.00 25.00 H new ATOM 0 HB2 LEU A 8 3.777 4.617 4.143 1.00 25.00 H new ATOM 0 HB3 LEU A 8 3.804 3.516 5.506 1.00 25.00 H new ATOM 0 HG LEU A 8 2.234 6.084 5.492 1.00 25.00 H new ATOM 0 HD11 LEU A 8 0.294 4.634 4.965 1.00 25.00 H new ATOM 0 HD12 LEU A 8 1.508 4.606 3.663 1.00 25.00 H new ATOM 0 HD13 LEU A 8 1.392 3.243 4.801 1.00 25.00 H new ATOM 0 HD21 LEU A 8 0.970 5.030 7.297 1.00 25.00 H new ATOM 0 HD22 LEU A 8 2.063 3.627 7.244 1.00 25.00 H new ATOM 0 HD23 LEU A 8 2.689 5.226 7.711 1.00 25.00 H new ATOM 129 N CYS A 9 6.699 3.842 6.299 1.00 25.00 N ATOM 130 CA CYS A 9 7.860 3.016 6.018 1.00 25.00 C ATOM 131 C CYS A 9 7.827 1.848 6.988 1.00 25.00 C ATOM 132 O CYS A 9 7.121 1.897 7.999 1.00 25.00 O ATOM 133 CB CYS A 9 9.152 3.827 6.194 1.00 25.00 C ATOM 134 SG CYS A 9 10.240 3.814 4.726 1.00 25.00 S ATOM 0 H CYS A 9 6.384 3.805 7.268 1.00 25.00 H new ATOM 0 HA CYS A 9 7.838 2.659 4.988 1.00 25.00 H new ATOM 0 HB2 CYS A 9 8.892 4.858 6.432 1.00 25.00 H new ATOM 0 HB3 CYS A 9 9.704 3.432 7.047 1.00 25.00 H new ATOM 139 N GLY A 10 8.573 0.796 6.688 1.00 25.00 N ATOM 140 CA GLY A 10 8.608 -0.357 7.569 1.00 25.00 C ATOM 141 C GLY A 10 7.250 -1.011 7.719 1.00 25.00 C ATOM 142 O GLY A 10 6.449 -1.047 6.782 1.00 25.00 O ATOM 0 H GLY A 10 9.154 0.718 5.853 1.00 25.00 H new ATOM 0 HA2 GLY A 10 9.318 -1.086 7.180 1.00 25.00 H new ATOM 0 HA3 GLY A 10 8.971 -0.050 8.550 1.00 25.00 H new ATOM 146 N GLY A 11 6.981 -1.512 8.917 1.00 25.00 N ATOM 147 CA GLY A 11 5.723 -2.186 9.191 1.00 25.00 C ATOM 148 C GLY A 11 4.506 -1.286 9.097 1.00 25.00 C ATOM 149 O GLY A 11 3.412 -1.776 8.890 1.00 25.00 O ATOM 0 H GLY A 11 7.617 -1.464 9.713 1.00 25.00 H new ATOM 0 HA2 GLY A 11 5.606 -3.012 8.490 1.00 25.00 H new ATOM 0 HA3 GLY A 11 5.765 -2.619 10.190 1.00 25.00 H new ATOM 153 N GLU A 12 4.680 0.024 9.210 1.00 25.00 N ATOM 154 CA GLU A 12 3.535 0.937 9.113 1.00 25.00 C ATOM 155 C GLU A 12 2.963 0.920 7.701 1.00 25.00 C ATOM 156 O GLU A 12 1.749 0.945 7.509 1.00 25.00 O ATOM 157 CB GLU A 12 3.944 2.368 9.479 1.00 25.00 C ATOM 158 CG GLU A 12 4.247 2.561 10.958 1.00 25.00 C ATOM 159 CD GLU A 12 3.062 2.265 11.832 1.00 25.00 C ATOM 160 OE1 GLU A 12 3.040 1.394 12.648 1.00 25.00 O ATOM 161 OE2 GLU A 12 2.050 3.026 11.607 1.00 25.00 O ATOM 0 H GLU A 12 5.580 0.477 9.366 1.00 25.00 H new ATOM 0 HA GLU A 12 2.775 0.597 9.817 1.00 25.00 H new ATOM 0 HB2 GLU A 12 4.824 2.644 8.898 1.00 25.00 H new ATOM 0 HB3 GLU A 12 3.144 3.050 9.190 1.00 25.00 H new ATOM 0 HG2 GLU A 12 5.076 1.913 11.243 1.00 25.00 H new ATOM 0 HG3 GLU A 12 4.572 3.587 11.128 1.00 25.00 H new ATOM 168 N LEU A 13 3.840 0.843 6.710 1.00 25.00 N ATOM 169 CA LEU A 13 3.399 0.807 5.320 1.00 25.00 C ATOM 170 C LEU A 13 2.666 -0.518 5.087 1.00 25.00 C ATOM 171 O LEU A 13 1.604 -0.561 4.485 1.00 25.00 O ATOM 172 CB LEU A 13 4.613 0.913 4.385 1.00 25.00 C ATOM 173 CG LEU A 13 4.396 1.642 3.046 1.00 25.00 C ATOM 174 CD1 LEU A 13 5.712 1.659 2.265 1.00 25.00 C ATOM 175 CD2 LEU A 13 3.309 1.053 2.198 1.00 25.00 C ATOM 0 H LEU A 13 4.851 0.805 6.838 1.00 25.00 H new ATOM 0 HA LEU A 13 2.732 1.644 5.112 1.00 25.00 H new ATOM 0 HB2 LEU A 13 5.413 1.422 4.923 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.965 -0.096 4.170 1.00 25.00 H new ATOM 0 HG LEU A 13 4.070 2.653 3.290 1.00 25.00 H new ATOM 0 HD11 LEU A 13 5.565 2.174 1.316 1.00 25.00 H new ATOM 0 HD12 LEU A 13 6.473 2.180 2.846 1.00 25.00 H new ATOM 0 HD13 LEU A 13 6.036 0.636 2.076 1.00 25.00 H new ATOM 0 HD21 LEU A 13 3.220 1.623 1.273 1.00 25.00 H new ATOM 0 HD22 LEU A 13 3.552 0.017 1.963 1.00 25.00 H new ATOM 0 HD23 LEU A 13 2.364 1.090 2.740 1.00 25.00 H new ATOM 187 N VAL A 14 3.243 -1.592 5.607 1.00 25.00 N ATOM 188 CA VAL A 14 2.663 -2.933 5.474 1.00 25.00 C ATOM 189 C VAL A 14 1.293 -3.010 6.145 1.00 25.00 C ATOM 190 O VAL A 14 0.357 -3.551 5.574 1.00 25.00 O ATOM 191 CB VAL A 14 3.613 -4.009 6.085 1.00 25.00 C ATOM 192 CG1 VAL A 14 2.975 -5.401 6.037 1.00 25.00 C ATOM 193 CG2 VAL A 14 4.952 -4.024 5.322 1.00 25.00 C ATOM 0 H VAL A 14 4.119 -1.566 6.130 1.00 25.00 H new ATOM 0 HA VAL A 14 2.539 -3.134 4.410 1.00 25.00 H new ATOM 0 HB VAL A 14 3.791 -3.749 7.128 1.00 25.00 H new ATOM 0 HG11 VAL A 14 3.660 -6.130 6.470 1.00 25.00 H new ATOM 0 HG12 VAL A 14 2.045 -5.395 6.606 1.00 25.00 H new ATOM 0 HG13 VAL A 14 2.765 -5.670 5.002 1.00 25.00 H new ATOM 0 HG21 VAL A 14 5.609 -4.778 5.755 1.00 25.00 H new ATOM 0 HG22 VAL A 14 4.771 -4.260 4.273 1.00 25.00 H new ATOM 0 HG23 VAL A 14 5.425 -3.045 5.397 1.00 25.00 H new ATOM 203 N ASP A 15 1.159 -2.429 7.327 1.00 25.00 N ATOM 204 CA ASP A 15 -0.122 -2.426 8.033 1.00 25.00 C ATOM 205 C ASP A 15 -1.171 -1.684 7.219 1.00 25.00 C ATOM 206 O ASP A 15 -2.316 -2.111 7.128 1.00 25.00 O ATOM 207 CB ASP A 15 0.027 -1.759 9.401 1.00 25.00 C ATOM 208 CG ASP A 15 -1.235 -1.830 10.211 1.00 25.00 C ATOM 209 OD1 ASP A 15 -1.480 -2.705 10.984 1.00 25.00 O ATOM 210 OD2 ASP A 15 -2.030 -0.840 10.015 1.00 25.00 O ATOM 0 H ASP A 15 1.915 -1.954 7.820 1.00 25.00 H new ATOM 0 HA ASP A 15 -0.440 -3.459 8.171 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.836 -2.240 9.951 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.310 -0.715 9.265 1.00 25.00 H new ATOM 215 N THR A 16 -0.773 -0.590 6.590 1.00 25.00 N ATOM 216 CA THR A 16 -1.697 0.179 5.763 1.00 25.00 C ATOM 217 C THR A 16 -2.096 -0.627 4.528 1.00 25.00 C ATOM 218 O THR A 16 -3.260 -0.662 4.165 1.00 25.00 O ATOM 219 CB THR A 16 -1.077 1.520 5.334 1.00 25.00 C ATOM 220 OG1 THR A 16 -0.588 2.202 6.494 1.00 25.00 O ATOM 221 CG2 THR A 16 -2.107 2.414 4.665 1.00 25.00 C ATOM 0 H THR A 16 0.174 -0.215 6.633 1.00 25.00 H new ATOM 0 HA THR A 16 -2.585 0.389 6.359 1.00 25.00 H new ATOM 0 HB THR A 16 -0.273 1.310 4.629 1.00 25.00 H new ATOM 0 HG1 THR A 16 0.225 1.759 6.816 1.00 25.00 H new ATOM 0 HG21 THR A 16 -1.638 3.354 4.373 1.00 25.00 H new ATOM 0 HG22 THR A 16 -2.502 1.915 3.780 1.00 25.00 H new ATOM 0 HG23 THR A 16 -2.921 2.615 5.361 1.00 25.00 H new ATOM 229 N LEU A 17 -1.146 -1.319 3.913 1.00 25.00 N ATOM 230 CA LEU A 17 -1.450 -2.161 2.752 1.00 25.00 C ATOM 231 C LEU A 17 -2.443 -3.248 3.134 1.00 25.00 C ATOM 232 O LEU A 17 -3.374 -3.520 2.392 1.00 25.00 O ATOM 233 CB LEU A 17 -0.171 -2.798 2.197 1.00 25.00 C ATOM 234 CG LEU A 17 0.685 -1.874 1.317 1.00 25.00 C ATOM 235 CD1 LEU A 17 2.135 -2.293 1.375 1.00 25.00 C ATOM 236 CD2 LEU A 17 0.207 -1.895 -0.137 1.00 25.00 C ATOM 0 H LEU A 17 -0.165 -1.318 4.192 1.00 25.00 H new ATOM 0 HA LEU A 17 -1.891 -1.531 1.980 1.00 25.00 H new ATOM 0 HB2 LEU A 17 0.437 -3.144 3.033 1.00 25.00 H new ATOM 0 HB3 LEU A 17 -0.444 -3.678 1.615 1.00 25.00 H new ATOM 0 HG LEU A 17 0.582 -0.860 1.702 1.00 25.00 H new ATOM 0 HD11 LEU A 17 2.731 -1.630 0.747 1.00 25.00 H new ATOM 0 HD12 LEU A 17 2.490 -2.234 2.404 1.00 25.00 H new ATOM 0 HD13 LEU A 17 2.232 -3.317 1.016 1.00 25.00 H new ATOM 0 HD21 LEU A 17 0.832 -1.232 -0.735 1.00 25.00 H new ATOM 0 HD22 LEU A 17 0.277 -2.910 -0.528 1.00 25.00 H new ATOM 0 HD23 LEU A 17 -0.829 -1.558 -0.184 1.00 25.00 H new ATOM 248 N GLN A 18 -2.272 -3.842 4.304 1.00 25.00 N ATOM 249 CA GLN A 18 -3.192 -4.879 4.770 1.00 25.00 C ATOM 250 C GLN A 18 -4.568 -4.298 5.094 1.00 25.00 C ATOM 251 O GLN A 18 -5.574 -4.937 4.849 1.00 25.00 O ATOM 252 CB GLN A 18 -2.618 -5.583 6.000 1.00 25.00 C ATOM 253 CG GLN A 18 -1.389 -6.431 5.680 1.00 25.00 C ATOM 254 CD GLN A 18 -0.775 -7.069 6.905 1.00 25.00 C ATOM 255 OE1 GLN A 18 -1.163 -6.801 8.026 1.00 25.00 O ATOM 256 NE2 GLN A 18 0.203 -7.909 6.691 1.00 25.00 N ATOM 0 H GLN A 18 -1.511 -3.629 4.949 1.00 25.00 H new ATOM 0 HA GLN A 18 -3.312 -5.604 3.965 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -2.353 -4.837 6.749 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -3.387 -6.218 6.441 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -1.668 -7.211 4.972 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -0.642 -5.807 5.189 1.00 25.00 H new ATOM 0 HE21 GLN A 18 0.503 -8.110 5.737 1.00 25.00 H new ATOM 0 HE22 GLN A 18 0.667 -8.363 7.478 1.00 25.00 H new ATOM 265 N PHE A 19 -4.620 -3.077 5.604 1.00 25.00 N ATOM 266 CA PHE A 19 -5.903 -2.427 5.879 1.00 25.00 C ATOM 267 C PHE A 19 -6.668 -2.116 4.585 1.00 25.00 C ATOM 268 O PHE A 19 -7.860 -2.371 4.482 1.00 25.00 O ATOM 269 CB PHE A 19 -5.670 -1.129 6.658 1.00 25.00 C ATOM 270 CG PHE A 19 -6.937 -0.380 6.968 1.00 25.00 C ATOM 271 CD1 PHE A 19 -7.748 -0.765 8.051 1.00 25.00 C ATOM 272 CD2 PHE A 19 -7.335 0.711 6.168 1.00 25.00 C ATOM 273 CE1 PHE A 19 -8.950 -0.068 8.340 1.00 25.00 C ATOM 274 CE2 PHE A 19 -8.532 1.414 6.445 1.00 25.00 C ATOM 275 CZ PHE A 19 -9.340 1.023 7.532 1.00 25.00 C ATOM 0 H PHE A 19 -3.800 -2.516 5.836 1.00 25.00 H new ATOM 0 HA PHE A 19 -6.505 -3.115 6.472 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -5.157 -1.362 7.591 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -5.007 -0.483 6.082 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -7.453 -1.600 8.669 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -6.719 1.014 5.334 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -9.564 -0.371 9.175 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -8.826 2.248 5.825 1.00 25.00 H new ATOM 0 HZ PHE A 19 -10.255 1.556 7.746 1.00 25.00 H new ATOM 285 N VAL A 20 -5.974 -1.546 3.609 1.00 25.00 N ATOM 286 CA VAL A 20 -6.595 -1.137 2.343 1.00 25.00 C ATOM 287 C VAL A 20 -6.971 -2.345 1.478 1.00 25.00 C ATOM 288 O VAL A 20 -8.006 -2.349 0.810 1.00 25.00 O ATOM 289 CB VAL A 20 -5.613 -0.200 1.546 1.00 25.00 C ATOM 290 CG1 VAL A 20 -6.154 0.146 0.143 1.00 25.00 C ATOM 291 CG2 VAL A 20 -5.383 1.102 2.331 1.00 25.00 C ATOM 0 H VAL A 20 -4.974 -1.353 3.665 1.00 25.00 H new ATOM 0 HA VAL A 20 -7.512 -0.598 2.581 1.00 25.00 H new ATOM 0 HB VAL A 20 -4.675 -0.741 1.424 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -5.444 0.794 -0.371 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -6.290 -0.771 -0.431 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -7.111 0.659 0.238 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -4.703 1.747 1.775 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -6.335 1.615 2.472 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -4.949 0.869 3.303 1.00 25.00 H new ATOM 301 N CYS A 21 -6.111 -3.352 1.455 1.00 25.00 N ATOM 302 CA CYS A 21 -6.286 -4.487 0.553 1.00 25.00 C ATOM 303 C CYS A 21 -6.962 -5.705 1.188 1.00 25.00 C ATOM 304 O CYS A 21 -7.542 -6.544 0.497 1.00 25.00 O ATOM 305 CB CYS A 21 -4.907 -4.897 0.040 1.00 25.00 C ATOM 306 SG CYS A 21 -4.936 -5.956 -1.429 1.00 25.00 S ATOM 0 H CYS A 21 -5.284 -3.409 2.049 1.00 25.00 H new ATOM 0 HA CYS A 21 -6.952 -4.158 -0.245 1.00 25.00 H new ATOM 0 HB2 CYS A 21 -4.336 -3.997 -0.188 1.00 25.00 H new ATOM 0 HB3 CYS A 21 -4.377 -5.418 0.837 1.00 25.00 H new ATOM 311 N GLY A 22 -6.869 -5.824 2.501 1.00 25.00 N ATOM 312 CA GLY A 22 -7.382 -7.003 3.174 1.00 25.00 C ATOM 313 C GLY A 22 -6.428 -8.172 3.001 1.00 25.00 C ATOM 314 O GLY A 22 -5.255 -8.003 2.667 1.00 25.00 O ATOM 0 H GLY A 22 -6.448 -5.127 3.116 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -7.520 -6.792 4.235 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -8.361 -7.262 2.771 1.00 25.00 H new ATOM 318 N ASP A 23 -6.946 -9.374 3.204 1.00 25.00 N ATOM 319 CA ASP A 23 -6.164 -10.619 3.128 1.00 25.00 C ATOM 320 C ASP A 23 -5.718 -10.980 1.707 1.00 25.00 C ATOM 321 O ASP A 23 -5.140 -12.037 1.479 1.00 25.00 O ATOM 322 CB ASP A 23 -6.994 -11.788 3.673 1.00 25.00 C ATOM 323 CG ASP A 23 -8.139 -11.330 4.547 1.00 25.00 C ATOM 324 OD1 ASP A 23 -9.194 -10.965 3.973 1.00 25.00 O ATOM 325 OD2 ASP A 23 -7.995 -11.280 5.778 1.00 25.00 O ATOM 0 H ASP A 23 -7.930 -9.524 3.429 1.00 25.00 H new ATOM 0 HA ASP A 23 -5.268 -10.445 3.724 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -7.388 -12.369 2.839 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -6.347 -12.452 4.246 1.00 25.00 H new ATOM 330 N ARG A 24 -6.069 -10.146 0.738 1.00 25.00 N ATOM 331 CA ARG A 24 -5.840 -10.436 -0.677 1.00 25.00 C ATOM 332 C ARG A 24 -4.375 -10.427 -1.105 1.00 25.00 C ATOM 333 O ARG A 24 -4.037 -10.961 -2.159 1.00 25.00 O ATOM 334 CB ARG A 24 -6.614 -9.415 -1.514 1.00 25.00 C ATOM 335 CG ARG A 24 -8.119 -9.308 -1.173 1.00 25.00 C ATOM 336 CD ARG A 24 -8.824 -10.653 -1.261 1.00 25.00 C ATOM 337 NE ARG A 24 -8.633 -11.228 -2.594 1.00 25.00 N ATOM 338 CZ ARG A 24 -8.744 -12.512 -2.908 1.00 25.00 C ATOM 339 NH1 ARG A 24 -9.038 -13.432 -2.021 1.00 25.00 N ATOM 340 NH2 ARG A 24 -8.543 -12.874 -4.141 1.00 25.00 N ATOM 0 H ARG A 24 -6.521 -9.248 0.907 1.00 25.00 H new ATOM 0 HA ARG A 24 -6.188 -11.456 -0.841 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -6.155 -8.435 -1.383 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -6.512 -9.676 -2.567 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -8.234 -8.904 -0.167 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -8.596 -8.604 -1.856 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -8.430 -11.330 -0.503 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -9.888 -10.530 -1.057 1.00 25.00 H new ATOM 0 HE ARG A 24 -8.393 -10.584 -3.348 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -9.191 -13.171 -1.047 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -9.114 -14.409 -2.305 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -8.305 -12.176 -4.845 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -8.623 -13.856 -4.404 1.00 25.00 H new ATOM 354 N GLY A 25 -3.514 -9.841 -0.287 1.00 25.00 N ATOM 355 CA GLY A 25 -2.095 -9.769 -0.611 1.00 25.00 C ATOM 356 C GLY A 25 -1.785 -8.519 -1.407 1.00 25.00 C ATOM 357 O GLY A 25 -2.687 -7.854 -1.888 1.00 25.00 O ATOM 0 H GLY A 25 -3.770 -9.410 0.602 1.00 25.00 H new ATOM 0 HA2 GLY A 25 -1.508 -9.775 0.307 1.00 25.00 H new ATOM 0 HA3 GLY A 25 -1.803 -10.650 -1.182 1.00 25.00 H new ATOM 361 N PHE A 26 -0.518 -8.158 -1.511 1.00 25.00 N ATOM 362 CA PHE A 26 -0.136 -6.909 -2.158 1.00 25.00 C ATOM 363 C PHE A 26 1.269 -7.006 -2.730 1.00 25.00 C ATOM 364 O PHE A 26 2.018 -7.932 -2.414 1.00 25.00 O ATOM 365 CB PHE A 26 -0.189 -5.770 -1.130 1.00 25.00 C ATOM 366 CG PHE A 26 0.575 -6.066 0.133 1.00 25.00 C ATOM 367 CD1 PHE A 26 1.972 -5.887 0.190 1.00 25.00 C ATOM 368 CD2 PHE A 26 -0.098 -6.545 1.274 1.00 25.00 C ATOM 369 CE1 PHE A 26 2.693 -6.194 1.368 1.00 25.00 C ATOM 370 CE2 PHE A 26 0.612 -6.854 2.456 1.00 25.00 C ATOM 371 CZ PHE A 26 2.012 -6.684 2.500 1.00 25.00 C ATOM 0 H PHE A 26 0.264 -8.709 -1.157 1.00 25.00 H new ATOM 0 HA PHE A 26 -0.831 -6.711 -2.974 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.211 -4.863 -1.583 1.00 25.00 H new ATOM 0 HB3 PHE A 26 -1.230 -5.568 -0.877 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.498 -5.511 -0.675 1.00 25.00 H new ATOM 0 HD2 PHE A 26 -1.169 -6.678 1.245 1.00 25.00 H new ATOM 0 HE1 PHE A 26 3.763 -6.053 1.399 1.00 25.00 H new ATOM 0 HE2 PHE A 26 0.084 -7.220 3.324 1.00 25.00 H new ATOM 0 HZ PHE A 26 2.560 -6.929 3.398 1.00 25.00 H new ATOM 381 N TYR A 27 1.623 -6.025 -3.541 1.00 25.00 N ATOM 382 CA TYR A 27 2.951 -5.933 -4.134 1.00 25.00 C ATOM 383 C TYR A 27 3.775 -4.923 -3.336 1.00 25.00 C ATOM 384 O TYR A 27 3.222 -4.082 -2.629 1.00 25.00 O ATOM 385 CB TYR A 27 2.826 -5.504 -5.596 1.00 25.00 C ATOM 386 CG TYR A 27 2.028 -6.498 -6.421 1.00 25.00 C ATOM 387 CD1 TYR A 27 2.644 -7.647 -6.962 1.00 25.00 C ATOM 388 CD2 TYR A 27 0.646 -6.308 -6.648 1.00 25.00 C ATOM 389 CE1 TYR A 27 1.895 -8.589 -7.716 1.00 25.00 C ATOM 390 CE2 TYR A 27 -0.104 -7.249 -7.402 1.00 25.00 C ATOM 391 CZ TYR A 27 0.530 -8.380 -7.924 1.00 25.00 C ATOM 392 OH TYR A 27 -0.194 -9.296 -8.646 1.00 25.00 O ATOM 0 H TYR A 27 0.997 -5.266 -3.810 1.00 25.00 H new ATOM 0 HA TYR A 27 3.451 -6.901 -4.104 1.00 25.00 H new ATOM 0 HB2 TYR A 27 2.347 -4.526 -5.646 1.00 25.00 H new ATOM 0 HB3 TYR A 27 3.821 -5.394 -6.027 1.00 25.00 H new ATOM 0 HD1 TYR A 27 3.699 -7.812 -6.800 1.00 25.00 H new ATOM 0 HD2 TYR A 27 0.154 -5.436 -6.243 1.00 25.00 H new ATOM 0 HE1 TYR A 27 2.379 -9.463 -8.127 1.00 25.00 H new ATOM 0 HE2 TYR A 27 -1.159 -7.092 -7.571 1.00 25.00 H new ATOM 0 HH TYR A 27 -1.128 -9.006 -8.699 1.00 25.00 H new ATOM 402 N PHE A 28 5.095 -5.014 -3.424 1.00 25.00 N ATOM 403 CA PHE A 28 5.975 -4.156 -2.632 1.00 25.00 C ATOM 404 C PHE A 28 7.199 -3.726 -3.438 1.00 25.00 C ATOM 405 O PHE A 28 7.333 -4.053 -4.616 1.00 25.00 O ATOM 406 CB PHE A 28 6.403 -4.889 -1.348 1.00 25.00 C ATOM 407 CG PHE A 28 6.608 -3.971 -0.161 1.00 25.00 C ATOM 408 CD1 PHE A 28 7.904 -3.565 0.233 1.00 25.00 C ATOM 409 CD2 PHE A 28 5.502 -3.515 0.580 1.00 25.00 C ATOM 410 CE1 PHE A 28 8.089 -2.708 1.349 1.00 25.00 C ATOM 411 CE2 PHE A 28 5.679 -2.656 1.700 1.00 25.00 C ATOM 412 CZ PHE A 28 6.971 -2.255 2.080 1.00 25.00 C ATOM 0 H PHE A 28 5.582 -5.671 -4.034 1.00 25.00 H new ATOM 0 HA PHE A 28 5.424 -3.255 -2.361 1.00 25.00 H new ATOM 0 HB2 PHE A 28 5.646 -5.632 -1.095 1.00 25.00 H new ATOM 0 HB3 PHE A 28 7.329 -5.431 -1.541 1.00 25.00 H new ATOM 0 HD1 PHE A 28 8.763 -3.911 -0.322 1.00 25.00 H new ATOM 0 HD2 PHE A 28 4.506 -3.821 0.295 1.00 25.00 H new ATOM 0 HE1 PHE A 28 9.084 -2.403 1.638 1.00 25.00 H new ATOM 0 HE2 PHE A 28 4.821 -2.312 2.258 1.00 25.00 H new ATOM 0 HZ PHE A 28 7.108 -1.602 2.929 1.00 25.00 H new ATOM 422 N SER A 29 8.079 -2.976 -2.787 1.00 25.00 N ATOM 423 CA SER A 29 9.324 -2.508 -3.379 1.00 25.00 C ATOM 424 C SER A 29 10.149 -3.675 -3.902 1.00 25.00 C ATOM 425 O SER A 29 10.262 -4.714 -3.254 1.00 25.00 O ATOM 426 CB SER A 29 10.130 -1.756 -2.325 1.00 25.00 C ATOM 427 OG SER A 29 11.397 -1.365 -2.811 1.00 25.00 O ATOM 0 H SER A 29 7.946 -2.673 -1.822 1.00 25.00 H new ATOM 0 HA SER A 29 9.086 -1.849 -4.214 1.00 25.00 H new ATOM 0 HB2 SER A 29 9.576 -0.874 -2.005 1.00 25.00 H new ATOM 0 HB3 SER A 29 10.257 -2.388 -1.446 1.00 25.00 H new ATOM 0 HG SER A 29 11.883 -0.885 -2.108 1.00 25.00 H new ATOM 433 N ARG A 30 10.711 -3.492 -5.087 1.00 25.00 N ATOM 434 CA ARG A 30 11.453 -4.551 -5.778 1.00 25.00 C ATOM 435 C ARG A 30 12.679 -3.958 -6.489 1.00 25.00 C ATOM 436 O ARG A 30 12.760 -2.741 -6.667 1.00 25.00 O ATOM 437 CB ARG A 30 10.491 -5.285 -6.743 1.00 25.00 C ATOM 438 CG ARG A 30 9.756 -4.414 -7.780 1.00 25.00 C ATOM 439 CD ARG A 30 10.603 -4.173 -9.013 1.00 25.00 C ATOM 440 NE ARG A 30 9.836 -3.562 -10.107 1.00 25.00 N ATOM 441 CZ ARG A 30 10.335 -3.224 -11.289 1.00 25.00 C ATOM 442 NH1 ARG A 30 11.601 -3.400 -11.589 1.00 25.00 N ATOM 443 NH2 ARG A 30 9.551 -2.698 -12.186 1.00 25.00 N ATOM 0 H ARG A 30 10.670 -2.611 -5.600 1.00 25.00 H new ATOM 0 HA ARG A 30 11.834 -5.284 -5.067 1.00 25.00 H new ATOM 0 HB2 ARG A 30 11.060 -6.045 -7.279 1.00 25.00 H new ATOM 0 HB3 ARG A 30 9.744 -5.808 -6.146 1.00 25.00 H new ATOM 0 HG2 ARG A 30 8.824 -4.900 -8.068 1.00 25.00 H new ATOM 0 HG3 ARG A 30 9.490 -3.458 -7.329 1.00 25.00 H new ATOM 0 HD2 ARG A 30 11.441 -3.526 -8.754 1.00 25.00 H new ATOM 0 HD3 ARG A 30 11.024 -5.119 -9.352 1.00 25.00 H new ATOM 0 HE ARG A 30 8.845 -3.384 -9.946 1.00 25.00 H new ATOM 0 HH11 ARG A 30 12.236 -3.809 -10.903 1.00 25.00 H new ATOM 0 HH12 ARG A 30 11.950 -3.128 -12.508 1.00 25.00 H new ATOM 0 HH21 ARG A 30 8.564 -2.550 -11.977 1.00 25.00 H new ATOM 0 HH22 ARG A 30 9.924 -2.434 -13.098 1.00 25.00 H new ATOM 457 N PRO A 31 13.685 -4.789 -6.833 1.00 25.00 N ATOM 458 CA PRO A 31 14.873 -4.198 -7.468 1.00 25.00 C ATOM 459 C PRO A 31 14.659 -3.797 -8.932 1.00 25.00 C ATOM 460 O PRO A 31 13.708 -4.236 -9.582 1.00 25.00 O ATOM 461 CB PRO A 31 15.901 -5.330 -7.369 1.00 25.00 C ATOM 462 CG PRO A 31 15.085 -6.557 -7.464 1.00 25.00 C ATOM 463 CD PRO A 31 13.846 -6.249 -6.660 1.00 25.00 C ATOM 0 HA PRO A 31 15.166 -3.267 -6.982 1.00 25.00 H new ATOM 0 HB2 PRO A 31 16.635 -5.275 -8.173 1.00 25.00 H new ATOM 0 HB3 PRO A 31 16.453 -5.288 -6.430 1.00 25.00 H new ATOM 0 HG2 PRO A 31 14.838 -6.791 -8.500 1.00 25.00 H new ATOM 0 HG3 PRO A 31 15.616 -7.419 -7.061 1.00 25.00 H new ATOM 0 HD2 PRO A 31 12.979 -6.796 -7.030 1.00 25.00 H new ATOM 0 HD3 PRO A 31 13.969 -6.519 -5.611 1.00 25.00 H new ATOM 471 N ALA A 32 15.572 -2.992 -9.454 1.00 25.00 N ATOM 472 CA ALA A 32 15.534 -2.573 -10.851 1.00 25.00 C ATOM 473 C ALA A 32 16.871 -2.945 -11.498 1.00 25.00 C ATOM 474 O ALA A 32 17.908 -2.929 -10.841 1.00 25.00 O ATOM 475 CB ALA A 32 15.278 -1.066 -10.943 1.00 25.00 C ATOM 0 H ALA A 32 16.357 -2.611 -8.926 1.00 25.00 H new ATOM 0 HA ALA A 32 14.723 -3.076 -11.377 1.00 25.00 H new ATOM 0 HB1 ALA A 32 15.252 -0.765 -11.990 1.00 25.00 H new ATOM 0 HB2 ALA A 32 14.323 -0.830 -10.473 1.00 25.00 H new ATOM 0 HB3 ALA A 32 16.077 -0.529 -10.431 1.00 25.00 H new ATOM 481 N SER A 33 16.828 -3.313 -12.770 1.00 25.00 N ATOM 482 CA SER A 33 18.016 -3.757 -13.492 1.00 25.00 C ATOM 483 C SER A 33 18.806 -2.567 -14.046 1.00 25.00 C ATOM 484 O SER A 33 18.483 -1.413 -13.785 1.00 25.00 O ATOM 485 CB SER A 33 17.584 -4.688 -14.627 1.00 25.00 C ATOM 486 OG SER A 33 16.666 -4.034 -15.476 1.00 25.00 O ATOM 0 H SER A 33 15.975 -3.313 -13.330 1.00 25.00 H new ATOM 0 HA SER A 33 18.672 -4.291 -12.804 1.00 25.00 H new ATOM 0 HB2 SER A 33 18.456 -5.004 -15.199 1.00 25.00 H new ATOM 0 HB3 SER A 33 17.130 -5.589 -14.214 1.00 25.00 H new ATOM 0 HG SER A 33 16.522 -4.575 -16.280 1.00 25.00 H new ATOM 492 N ARG A 34 19.871 -2.857 -14.787 1.00 25.00 N ATOM 493 CA ARG A 34 20.753 -1.823 -15.348 1.00 25.00 C ATOM 494 C ARG A 34 20.131 -0.976 -16.462 1.00 25.00 C ATOM 495 O ARG A 34 20.656 0.076 -16.787 1.00 25.00 O ATOM 496 CB ARG A 34 22.022 -2.477 -15.875 1.00 25.00 C ATOM 497 CG ARG A 34 22.937 -2.948 -14.751 1.00 25.00 C ATOM 498 CD ARG A 34 24.219 -3.502 -15.305 1.00 25.00 C ATOM 499 NE ARG A 34 25.142 -3.922 -14.230 1.00 25.00 N ATOM 500 CZ ARG A 34 26.202 -4.711 -14.388 1.00 25.00 C ATOM 501 NH1 ARG A 34 26.528 -5.227 -15.547 1.00 25.00 N ATOM 502 NH2 ARG A 34 26.944 -4.991 -13.352 1.00 25.00 N ATOM 0 H ARG A 34 20.152 -3.810 -15.018 1.00 25.00 H new ATOM 0 HA ARG A 34 20.957 -1.135 -14.527 1.00 25.00 H new ATOM 0 HB2 ARG A 34 21.756 -3.326 -16.505 1.00 25.00 H new ATOM 0 HB3 ARG A 34 22.559 -1.768 -16.505 1.00 25.00 H new ATOM 0 HG2 ARG A 34 23.154 -2.117 -14.080 1.00 25.00 H new ATOM 0 HG3 ARG A 34 22.431 -3.711 -14.159 1.00 25.00 H new ATOM 0 HD2 ARG A 34 23.999 -4.353 -15.949 1.00 25.00 H new ATOM 0 HD3 ARG A 34 24.703 -2.748 -15.926 1.00 25.00 H new ATOM 0 HE ARG A 34 24.951 -3.579 -13.289 1.00 25.00 H new ATOM 0 HH11 ARG A 34 25.961 -5.029 -16.371 1.00 25.00 H new ATOM 0 HH12 ARG A 34 27.349 -5.827 -15.625 1.00 25.00 H new ATOM 0 HH21 ARG A 34 26.708 -4.607 -12.437 1.00 25.00 H new ATOM 0 HH22 ARG A 34 27.760 -5.594 -13.457 1.00 25.00 H new ATOM 516 N VAL A 35 19.045 -1.448 -17.056 1.00 25.00 N ATOM 517 CA VAL A 35 18.394 -0.714 -18.147 1.00 25.00 C ATOM 518 C VAL A 35 17.458 0.355 -17.580 1.00 25.00 C ATOM 519 O VAL A 35 17.422 0.589 -16.369 1.00 25.00 O ATOM 520 CB VAL A 35 17.599 -1.678 -19.106 1.00 25.00 C ATOM 521 CG1 VAL A 35 18.515 -2.816 -19.592 1.00 25.00 C ATOM 522 CG2 VAL A 35 16.341 -2.266 -18.424 1.00 25.00 C ATOM 0 H VAL A 35 18.594 -2.329 -16.808 1.00 25.00 H new ATOM 0 HA VAL A 35 19.176 -0.233 -18.734 1.00 25.00 H new ATOM 0 HB VAL A 35 17.266 -1.088 -19.960 1.00 25.00 H new ATOM 0 HG11 VAL A 35 17.955 -3.476 -20.254 1.00 25.00 H new ATOM 0 HG12 VAL A 35 19.363 -2.395 -20.132 1.00 25.00 H new ATOM 0 HG13 VAL A 35 18.876 -3.384 -18.734 1.00 25.00 H new ATOM 0 HG21 VAL A 35 15.823 -2.925 -19.121 1.00 25.00 H new ATOM 0 HG22 VAL A 35 16.637 -2.833 -17.541 1.00 25.00 H new ATOM 0 HG23 VAL A 35 15.675 -1.455 -18.128 1.00 25.00 H new ATOM 532 N SER A 36 16.685 0.976 -18.463 1.00 25.00 N ATOM 533 CA SER A 36 15.655 1.940 -18.097 1.00 25.00 C ATOM 534 C SER A 36 14.504 1.297 -17.293 1.00 25.00 C ATOM 535 O SER A 36 14.648 0.216 -16.736 1.00 25.00 O ATOM 536 CB SER A 36 15.114 2.545 -19.395 1.00 25.00 C ATOM 537 OG SER A 36 16.007 2.247 -20.459 1.00 25.00 O ATOM 0 H SER A 36 16.758 0.821 -19.469 1.00 25.00 H new ATOM 0 HA SER A 36 16.092 2.702 -17.452 1.00 25.00 H new ATOM 0 HB2 SER A 36 14.124 2.143 -19.612 1.00 25.00 H new ATOM 0 HB3 SER A 36 15.004 3.624 -19.289 1.00 25.00 H new ATOM 0 HG SER A 36 15.663 2.631 -21.292 1.00 25.00 H new ATOM 543 N ARG A 37 13.355 1.975 -17.254 1.00 25.00 N ATOM 544 CA ARG A 37 12.158 1.520 -16.532 1.00 25.00 C ATOM 545 C ARG A 37 12.432 1.353 -15.037 1.00 25.00 C ATOM 546 O ARG A 37 11.817 0.517 -14.373 1.00 25.00 O ATOM 547 CB ARG A 37 11.639 0.189 -17.099 1.00 25.00 C ATOM 548 CG ARG A 37 11.519 0.084 -18.628 1.00 25.00 C ATOM 549 CD ARG A 37 10.616 1.139 -19.235 1.00 25.00 C ATOM 550 NE ARG A 37 9.242 1.075 -18.699 1.00 25.00 N ATOM 551 CZ ARG A 37 8.247 1.896 -19.024 1.00 25.00 C ATOM 552 NH1 ARG A 37 8.393 2.868 -19.889 1.00 25.00 N ATOM 553 NH2 ARG A 37 7.079 1.733 -18.464 1.00 25.00 N ATOM 0 H ARG A 37 13.225 2.868 -17.729 1.00 25.00 H new ATOM 0 HA ARG A 37 11.399 2.290 -16.668 1.00 25.00 H new ATOM 0 HB2 ARG A 37 12.300 -0.607 -16.755 1.00 25.00 H new ATOM 0 HB3 ARG A 37 10.657 -0.004 -16.668 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.512 0.169 -19.070 1.00 25.00 H new ATOM 0 HG3 ARG A 37 11.138 -0.903 -18.888 1.00 25.00 H new ATOM 0 HD2 ARG A 37 11.034 2.127 -19.041 1.00 25.00 H new ATOM 0 HD3 ARG A 37 10.588 1.011 -20.317 1.00 25.00 H new ATOM 0 HE ARG A 37 9.038 0.339 -18.022 1.00 25.00 H new ATOM 0 HH11 ARG A 37 9.295 3.017 -20.341 1.00 25.00 H new ATOM 0 HH12 ARG A 37 7.605 3.476 -20.111 1.00 25.00 H new ATOM 0 HH21 ARG A 37 6.938 0.983 -17.787 1.00 25.00 H new ATOM 0 HH22 ARG A 37 6.307 2.355 -18.704 1.00 25.00 H new ATOM 567 N ARG A 38 13.364 2.136 -14.513 1.00 25.00 N ATOM 568 CA ARG A 38 13.698 2.062 -13.096 1.00 25.00 C ATOM 569 C ARG A 38 12.633 2.759 -12.272 1.00 25.00 C ATOM 570 O ARG A 38 12.253 3.882 -12.560 1.00 25.00 O ATOM 571 CB ARG A 38 15.055 2.711 -12.812 1.00 25.00 C ATOM 572 CG ARG A 38 16.237 1.919 -13.342 1.00 25.00 C ATOM 573 CD ARG A 38 17.518 2.339 -12.637 1.00 25.00 C ATOM 574 NE ARG A 38 18.523 1.269 -12.691 1.00 25.00 N ATOM 575 CZ ARG A 38 19.663 1.249 -12.012 1.00 25.00 C ATOM 576 NH1 ARG A 38 20.028 2.224 -11.213 1.00 25.00 N ATOM 577 NH2 ARG A 38 20.442 0.215 -12.131 1.00 25.00 N ATOM 0 H ARG A 38 13.899 2.825 -15.042 1.00 25.00 H new ATOM 0 HA ARG A 38 13.749 1.008 -12.822 1.00 25.00 H new ATOM 0 HB2 ARG A 38 15.070 3.707 -13.254 1.00 25.00 H new ATOM 0 HB3 ARG A 38 15.168 2.838 -11.735 1.00 25.00 H new ATOM 0 HG2 ARG A 38 16.065 0.853 -13.192 1.00 25.00 H new ATOM 0 HG3 ARG A 38 16.337 2.078 -14.416 1.00 25.00 H new ATOM 0 HD2 ARG A 38 17.916 3.240 -13.104 1.00 25.00 H new ATOM 0 HD3 ARG A 38 17.301 2.587 -11.598 1.00 25.00 H new ATOM 0 HE ARG A 38 18.328 0.475 -13.301 1.00 25.00 H new ATOM 0 HH11 ARG A 38 19.426 3.039 -11.095 1.00 25.00 H new ATOM 0 HH12 ARG A 38 20.914 2.167 -10.710 1.00 25.00 H new ATOM 0 HH21 ARG A 38 20.172 -0.560 -12.737 1.00 25.00 H new ATOM 0 HH22 ARG A 38 21.323 0.179 -11.618 1.00 25.00 H new ATOM 591 N SER A 39 12.196 2.075 -11.230 1.00 25.00 N ATOM 592 CA SER A 39 11.272 2.603 -10.238 1.00 25.00 C ATOM 593 C SER A 39 11.466 1.642 -9.084 1.00 25.00 C ATOM 594 O SER A 39 11.875 0.496 -9.314 1.00 25.00 O ATOM 595 CB SER A 39 9.823 2.563 -10.729 1.00 25.00 C ATOM 596 OG SER A 39 8.930 2.931 -9.691 1.00 25.00 O ATOM 0 H SER A 39 12.480 1.113 -11.044 1.00 25.00 H new ATOM 0 HA SER A 39 11.459 3.648 -9.992 1.00 25.00 H new ATOM 0 HB2 SER A 39 9.702 3.239 -11.576 1.00 25.00 H new ATOM 0 HB3 SER A 39 9.582 1.561 -11.084 1.00 25.00 H new ATOM 0 HG SER A 39 8.009 2.901 -10.026 1.00 25.00 H new ATOM 602 N ARG A 40 11.234 2.090 -7.862 1.00 25.00 N ATOM 603 CA ARG A 40 11.458 1.256 -6.685 1.00 25.00 C ATOM 604 C ARG A 40 10.193 0.533 -6.244 1.00 25.00 C ATOM 605 O ARG A 40 10.246 -0.638 -5.875 1.00 25.00 O ATOM 606 CB ARG A 40 12.007 2.138 -5.551 1.00 25.00 C ATOM 607 CG ARG A 40 12.503 1.396 -4.332 1.00 25.00 C ATOM 608 CD ARG A 40 13.506 0.333 -4.718 1.00 25.00 C ATOM 609 NE ARG A 40 14.308 -0.095 -3.563 1.00 25.00 N ATOM 610 CZ ARG A 40 14.723 -1.338 -3.329 1.00 25.00 C ATOM 611 NH1 ARG A 40 14.426 -2.339 -4.120 1.00 25.00 N ATOM 612 NH2 ARG A 40 15.451 -1.575 -2.274 1.00 25.00 N ATOM 0 H ARG A 40 10.890 3.028 -7.655 1.00 25.00 H new ATOM 0 HA ARG A 40 12.182 0.483 -6.940 1.00 25.00 H new ATOM 0 HB2 ARG A 40 12.825 2.740 -5.946 1.00 25.00 H new ATOM 0 HB3 ARG A 40 11.224 2.829 -5.240 1.00 25.00 H new ATOM 0 HG2 ARG A 40 12.961 2.098 -3.636 1.00 25.00 H new ATOM 0 HG3 ARG A 40 11.661 0.936 -3.814 1.00 25.00 H new ATOM 0 HD2 ARG A 40 12.984 -0.526 -5.138 1.00 25.00 H new ATOM 0 HD3 ARG A 40 14.164 0.718 -5.497 1.00 25.00 H new ATOM 0 HE ARG A 40 14.568 0.620 -2.884 1.00 25.00 H new ATOM 0 HH11 ARG A 40 13.857 -2.181 -4.951 1.00 25.00 H new ATOM 0 HH12 ARG A 40 14.764 -3.277 -3.905 1.00 25.00 H new ATOM 0 HH21 ARG A 40 15.695 -0.813 -1.641 1.00 25.00 H new ATOM 0 HH22 ARG A 40 15.776 -2.522 -2.081 1.00 25.00 H new ATOM 626 N GLY A 41 9.064 1.224 -6.295 1.00 25.00 N ATOM 627 CA GLY A 41 7.783 0.641 -5.899 1.00 25.00 C ATOM 628 C GLY A 41 7.094 1.462 -4.823 1.00 25.00 C ATOM 629 O GLY A 41 7.424 2.618 -4.643 1.00 25.00 O ATOM 0 H GLY A 41 9.005 2.193 -6.607 1.00 25.00 H new ATOM 0 HA2 GLY A 41 7.133 0.567 -6.771 1.00 25.00 H new ATOM 0 HA3 GLY A 41 7.943 -0.374 -5.534 1.00 25.00 H new ATOM 633 N ILE A 42 6.173 0.852 -4.088 1.00 25.00 N ATOM 634 CA ILE A 42 5.377 1.535 -3.045 1.00 25.00 C ATOM 635 C ILE A 42 6.204 2.317 -1.995 1.00 25.00 C ATOM 636 O ILE A 42 5.752 3.317 -1.458 1.00 25.00 O ATOM 637 CB ILE A 42 4.438 0.480 -2.342 1.00 25.00 C ATOM 638 CG1 ILE A 42 3.403 1.141 -1.412 1.00 25.00 C ATOM 639 CG2 ILE A 42 5.260 -0.545 -1.526 1.00 25.00 C ATOM 640 CD1 ILE A 42 2.261 1.858 -2.106 1.00 25.00 C ATOM 0 H ILE A 42 5.947 -0.137 -4.190 1.00 25.00 H new ATOM 0 HA ILE A 42 4.793 2.300 -3.557 1.00 25.00 H new ATOM 0 HB ILE A 42 3.905 -0.030 -3.145 1.00 25.00 H new ATOM 0 HG12 ILE A 42 2.984 0.374 -0.761 1.00 25.00 H new ATOM 0 HG13 ILE A 42 3.921 1.855 -0.771 1.00 25.00 H new ATOM 0 HG21 ILE A 42 4.585 -1.259 -1.053 1.00 25.00 H new ATOM 0 HG22 ILE A 42 5.942 -1.076 -2.190 1.00 25.00 H new ATOM 0 HG23 ILE A 42 5.833 -0.024 -0.759 1.00 25.00 H new ATOM 0 HD11 ILE A 42 1.593 2.286 -1.359 1.00 25.00 H new ATOM 0 HD12 ILE A 42 2.660 2.654 -2.735 1.00 25.00 H new ATOM 0 HD13 ILE A 42 1.709 1.150 -2.724 1.00 25.00 H new ATOM 652 N VAL A 43 7.438 1.905 -1.739 1.00 25.00 N ATOM 653 CA VAL A 43 8.294 2.628 -0.790 1.00 25.00 C ATOM 654 C VAL A 43 8.643 4.013 -1.343 1.00 25.00 C ATOM 655 O VAL A 43 8.726 4.988 -0.605 1.00 25.00 O ATOM 656 CB VAL A 43 9.579 1.807 -0.484 1.00 25.00 C ATOM 657 CG1 VAL A 43 10.600 2.622 0.326 1.00 25.00 C ATOM 658 CG2 VAL A 43 9.198 0.563 0.293 1.00 25.00 C ATOM 0 H VAL A 43 7.871 1.086 -2.165 1.00 25.00 H new ATOM 0 HA VAL A 43 7.750 2.762 0.145 1.00 25.00 H new ATOM 0 HB VAL A 43 10.044 1.540 -1.433 1.00 25.00 H new ATOM 0 HG11 VAL A 43 11.482 2.012 0.518 1.00 25.00 H new ATOM 0 HG12 VAL A 43 10.888 3.509 -0.239 1.00 25.00 H new ATOM 0 HG13 VAL A 43 10.155 2.924 1.274 1.00 25.00 H new ATOM 0 HG21 VAL A 43 10.094 -0.018 0.511 1.00 25.00 H new ATOM 0 HG22 VAL A 43 8.716 0.851 1.227 1.00 25.00 H new ATOM 0 HG23 VAL A 43 8.510 -0.040 -0.300 1.00 25.00 H new ATOM 668 N GLU A 44 8.794 4.115 -2.649 1.00 25.00 N ATOM 669 CA GLU A 44 9.055 5.411 -3.272 1.00 25.00 C ATOM 670 C GLU A 44 7.834 6.306 -3.136 1.00 25.00 C ATOM 671 O GLU A 44 7.955 7.511 -2.964 1.00 25.00 O ATOM 672 CB GLU A 44 9.385 5.244 -4.748 1.00 25.00 C ATOM 673 CG GLU A 44 10.756 5.741 -5.110 1.00 25.00 C ATOM 674 CD GLU A 44 10.942 5.779 -6.619 1.00 25.00 C ATOM 675 OE1 GLU A 44 11.307 6.839 -7.157 1.00 25.00 O ATOM 676 OE2 GLU A 44 10.691 4.738 -7.275 1.00 25.00 O ATOM 0 H GLU A 44 8.742 3.330 -3.298 1.00 25.00 H new ATOM 0 HA GLU A 44 9.907 5.865 -2.766 1.00 25.00 H new ATOM 0 HB2 GLU A 44 9.306 4.190 -5.014 1.00 25.00 H new ATOM 0 HB3 GLU A 44 8.644 5.779 -5.342 1.00 25.00 H new ATOM 0 HG2 GLU A 44 10.906 6.738 -4.696 1.00 25.00 H new ATOM 0 HG3 GLU A 44 11.511 5.094 -4.663 1.00 25.00 H new ATOM 683 N GLU A 45 6.660 5.703 -3.206 1.00 25.00 N ATOM 684 CA GLU A 45 5.412 6.451 -3.141 1.00 25.00 C ATOM 685 C GLU A 45 5.091 6.951 -1.740 1.00 25.00 C ATOM 686 O GLU A 45 4.616 8.060 -1.571 1.00 25.00 O ATOM 687 CB GLU A 45 4.241 5.570 -3.597 1.00 25.00 C ATOM 688 CG GLU A 45 4.432 4.853 -4.937 1.00 25.00 C ATOM 689 CD GLU A 45 4.532 5.786 -6.139 1.00 25.00 C ATOM 690 OE1 GLU A 45 4.413 7.026 -5.994 1.00 25.00 O ATOM 691 OE2 GLU A 45 4.788 5.262 -7.242 1.00 25.00 O ATOM 0 H GLU A 45 6.543 4.695 -3.308 1.00 25.00 H new ATOM 0 HA GLU A 45 5.545 7.311 -3.797 1.00 25.00 H new ATOM 0 HB2 GLU A 45 4.053 4.820 -2.828 1.00 25.00 H new ATOM 0 HB3 GLU A 45 3.347 6.191 -3.662 1.00 25.00 H new ATOM 0 HG2 GLU A 45 5.337 4.247 -4.886 1.00 25.00 H new ATOM 0 HG3 GLU A 45 3.598 4.168 -5.092 1.00 25.00 H new ATOM 698 N CYS A 46 5.281 6.094 -0.748 1.00 25.00 N ATOM 699 CA CYS A 46 4.828 6.391 0.608 1.00 25.00 C ATOM 700 C CYS A 46 5.911 6.769 1.609 1.00 25.00 C ATOM 701 O CYS A 46 5.587 7.261 2.678 1.00 25.00 O ATOM 702 CB CYS A 46 4.070 5.187 1.158 1.00 25.00 C ATOM 703 SG CYS A 46 2.598 4.737 0.186 1.00 25.00 S ATOM 0 H CYS A 46 5.743 5.191 -0.853 1.00 25.00 H new ATOM 0 HA CYS A 46 4.203 7.278 0.501 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.744 4.331 1.196 1.00 25.00 H new ATOM 0 HB3 CYS A 46 3.766 5.398 2.183 1.00 25.00 H new ATOM 708 N CYS A 47 7.176 6.521 1.297 1.00 25.00 N ATOM 709 CA CYS A 47 8.268 6.843 2.230 1.00 25.00 C ATOM 710 C CYS A 47 9.158 7.960 1.684 1.00 25.00 C ATOM 711 O CYS A 47 9.520 8.878 2.410 1.00 25.00 O ATOM 712 CB CYS A 47 9.092 5.586 2.525 1.00 25.00 C ATOM 713 SG CYS A 47 10.143 5.715 4.011 1.00 25.00 S ATOM 0 H CYS A 47 7.478 6.103 0.417 1.00 25.00 H new ATOM 0 HA CYS A 47 7.828 7.203 3.160 1.00 25.00 H new ATOM 0 HB2 CYS A 47 8.415 4.740 2.645 1.00 25.00 H new ATOM 0 HB3 CYS A 47 9.724 5.369 1.664 1.00 25.00 H new ATOM 718 N PHE A 48 9.486 7.898 0.398 1.00 25.00 N ATOM 719 CA PHE A 48 10.279 8.959 -0.239 1.00 25.00 C ATOM 720 C PHE A 48 9.367 10.113 -0.667 1.00 25.00 C ATOM 721 O PHE A 48 9.807 11.248 -0.830 1.00 25.00 O ATOM 722 CB PHE A 48 11.026 8.416 -1.456 1.00 25.00 C ATOM 723 CG PHE A 48 12.190 7.529 -1.105 1.00 25.00 C ATOM 724 CD1 PHE A 48 13.450 8.094 -0.838 1.00 25.00 C ATOM 725 CD2 PHE A 48 12.047 6.129 -1.054 1.00 25.00 C ATOM 726 CE1 PHE A 48 14.560 7.273 -0.523 1.00 25.00 C ATOM 727 CE2 PHE A 48 13.149 5.299 -0.756 1.00 25.00 C ATOM 728 CZ PHE A 48 14.409 5.872 -0.488 1.00 25.00 C ATOM 0 H PHE A 48 9.221 7.134 -0.224 1.00 25.00 H new ATOM 0 HA PHE A 48 11.007 9.324 0.485 1.00 25.00 H new ATOM 0 HB2 PHE A 48 10.329 7.856 -2.079 1.00 25.00 H new ATOM 0 HB3 PHE A 48 11.386 9.253 -2.054 1.00 25.00 H new ATOM 0 HD1 PHE A 48 13.572 9.166 -0.874 1.00 25.00 H new ATOM 0 HD2 PHE A 48 11.081 5.685 -1.245 1.00 25.00 H new ATOM 0 HE1 PHE A 48 15.520 7.719 -0.310 1.00 25.00 H new ATOM 0 HE2 PHE A 48 13.027 4.226 -0.733 1.00 25.00 H new ATOM 0 HZ PHE A 48 15.254 5.241 -0.257 1.00 25.00 H new ATOM 738 N ARG A 49 8.088 9.806 -0.805 1.00 25.00 N ATOM 739 CA ARG A 49 7.040 10.789 -1.071 1.00 25.00 C ATOM 740 C ARG A 49 5.968 10.442 -0.060 1.00 25.00 C ATOM 741 O ARG A 49 6.160 9.528 0.726 1.00 25.00 O ATOM 742 CB ARG A 49 6.494 10.659 -2.502 1.00 25.00 C ATOM 743 CG ARG A 49 7.449 11.148 -3.565 1.00 25.00 C ATOM 744 CD ARG A 49 6.792 11.171 -4.954 1.00 25.00 C ATOM 745 NE ARG A 49 6.523 9.825 -5.502 1.00 25.00 N ATOM 746 CZ ARG A 49 7.389 9.084 -6.187 1.00 25.00 C ATOM 747 NH1 ARG A 49 8.623 9.472 -6.421 1.00 25.00 N ATOM 748 NH2 ARG A 49 7.007 7.937 -6.658 1.00 25.00 N ATOM 0 H ARG A 49 7.738 8.850 -0.735 1.00 25.00 H new ATOM 0 HA ARG A 49 7.400 11.814 -0.987 1.00 25.00 H new ATOM 0 HB2 ARG A 49 6.254 9.614 -2.696 1.00 25.00 H new ATOM 0 HB3 ARG A 49 5.562 11.220 -2.578 1.00 25.00 H new ATOM 0 HG2 ARG A 49 7.795 12.150 -3.310 1.00 25.00 H new ATOM 0 HG3 ARG A 49 8.328 10.503 -3.589 1.00 25.00 H new ATOM 0 HD2 ARG A 49 5.855 11.724 -4.895 1.00 25.00 H new ATOM 0 HD3 ARG A 49 7.439 11.713 -5.644 1.00 25.00 H new ATOM 0 HE ARG A 49 5.596 9.432 -5.341 1.00 25.00 H new ATOM 0 HH11 ARG A 49 8.949 10.373 -6.072 1.00 25.00 H new ATOM 0 HH12 ARG A 49 9.254 8.872 -6.951 1.00 25.00 H new ATOM 0 HH21 ARG A 49 6.052 7.614 -6.501 1.00 25.00 H new ATOM 0 HH22 ARG A 49 7.661 7.359 -7.185 1.00 25.00 H new ATOM 762 N SER A 50 4.841 11.129 -0.106 1.00 25.00 N ATOM 763 CA SER A 50 3.677 10.749 0.693 1.00 25.00 C ATOM 764 C SER A 50 2.668 10.225 -0.315 1.00 25.00 C ATOM 765 O SER A 50 2.703 10.629 -1.478 1.00 25.00 O ATOM 766 CB SER A 50 3.118 11.946 1.460 1.00 25.00 C ATOM 767 OG SER A 50 4.077 12.430 2.386 1.00 25.00 O ATOM 0 H SER A 50 4.701 11.955 -0.687 1.00 25.00 H new ATOM 0 HA SER A 50 3.927 10.004 1.448 1.00 25.00 H new ATOM 0 HB2 SER A 50 2.844 12.738 0.762 1.00 25.00 H new ATOM 0 HB3 SER A 50 2.208 11.657 1.986 1.00 25.00 H new ATOM 0 HG SER A 50 3.707 13.198 2.869 1.00 25.00 H new ATOM 773 N CYS A 51 1.800 9.321 0.110 1.00 25.00 N ATOM 774 CA CYS A 51 0.861 8.672 -0.798 1.00 25.00 C ATOM 775 C CYS A 51 -0.561 8.752 -0.259 1.00 25.00 C ATOM 776 O CYS A 51 -0.771 9.035 0.917 1.00 25.00 O ATOM 777 CB CYS A 51 1.276 7.211 -0.991 1.00 25.00 C ATOM 778 SG CYS A 51 1.291 6.248 0.555 1.00 25.00 S ATOM 0 H CYS A 51 1.724 9.018 1.081 1.00 25.00 H new ATOM 0 HA CYS A 51 0.882 9.188 -1.758 1.00 25.00 H new ATOM 0 HB2 CYS A 51 0.594 6.738 -1.697 1.00 25.00 H new ATOM 0 HB3 CYS A 51 2.269 7.180 -1.438 1.00 25.00 H new ATOM 783 N ASP A 52 -1.526 8.511 -1.137 1.00 25.00 N ATOM 784 CA ASP A 52 -2.946 8.573 -0.786 1.00 25.00 C ATOM 785 C ASP A 52 -3.545 7.177 -0.897 1.00 25.00 C ATOM 786 O ASP A 52 -2.928 6.277 -1.466 1.00 25.00 O ATOM 787 CB ASP A 52 -3.684 9.519 -1.741 1.00 25.00 C ATOM 788 CG ASP A 52 -4.846 10.247 -1.067 1.00 25.00 C ATOM 789 OD1 ASP A 52 -5.019 11.446 -1.331 1.00 25.00 O ATOM 790 OD2 ASP A 52 -5.592 9.608 -0.290 1.00 25.00 O ATOM 0 H ASP A 52 -1.351 8.267 -2.112 1.00 25.00 H new ATOM 0 HA ASP A 52 -3.050 8.946 0.233 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -2.981 10.252 -2.135 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -4.061 8.950 -2.591 1.00 25.00 H new ATOM 795 N LEU A 53 -4.765 7.023 -0.409 1.00 25.00 N ATOM 796 CA LEU A 53 -5.500 5.762 -0.449 1.00 25.00 C ATOM 797 C LEU A 53 -5.607 5.215 -1.866 1.00 25.00 C ATOM 798 O LEU A 53 -5.381 4.033 -2.095 1.00 25.00 O ATOM 799 CB LEU A 53 -6.913 6.005 0.107 1.00 25.00 C ATOM 800 CG LEU A 53 -7.904 4.829 0.078 1.00 25.00 C ATOM 801 CD1 LEU A 53 -7.445 3.691 0.967 1.00 25.00 C ATOM 802 CD2 LEU A 53 -9.279 5.314 0.531 1.00 25.00 C ATOM 0 H LEU A 53 -5.284 7.781 0.034 1.00 25.00 H new ATOM 0 HA LEU A 53 -4.962 5.028 0.151 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -6.814 6.335 1.141 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -7.356 6.831 -0.450 1.00 25.00 H new ATOM 0 HG LEU A 53 -7.957 4.454 -0.944 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -8.170 2.878 0.921 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -6.474 3.331 0.626 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -7.360 4.044 1.995 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -9.983 4.482 0.511 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -9.210 5.707 1.545 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -9.627 6.100 -0.140 1.00 25.00 H new ATOM 814 N ALA A 54 -5.950 6.078 -2.814 1.00 25.00 N ATOM 815 CA ALA A 54 -6.150 5.650 -4.198 1.00 25.00 C ATOM 816 C ALA A 54 -4.859 5.094 -4.802 1.00 25.00 C ATOM 817 O ALA A 54 -4.868 4.077 -5.481 1.00 25.00 O ATOM 818 CB ALA A 54 -6.670 6.826 -5.035 1.00 25.00 C ATOM 0 H ALA A 54 -6.096 7.075 -2.654 1.00 25.00 H new ATOM 0 HA ALA A 54 -6.889 4.849 -4.205 1.00 25.00 H new ATOM 0 HB1 ALA A 54 -6.817 6.502 -6.065 1.00 25.00 H new ATOM 0 HB2 ALA A 54 -7.618 7.174 -4.625 1.00 25.00 H new ATOM 0 HB3 ALA A 54 -5.944 7.639 -5.011 1.00 25.00 H new ATOM 824 N LEU A 55 -3.752 5.768 -4.536 1.00 25.00 N ATOM 825 CA LEU A 55 -2.453 5.347 -5.041 1.00 25.00 C ATOM 826 C LEU A 55 -2.032 4.054 -4.354 1.00 25.00 C ATOM 827 O LEU A 55 -1.597 3.110 -4.992 1.00 25.00 O ATOM 828 CB LEU A 55 -1.445 6.470 -4.770 1.00 25.00 C ATOM 829 CG LEU A 55 0.056 6.153 -4.785 1.00 25.00 C ATOM 830 CD1 LEU A 55 0.516 5.381 -6.012 1.00 25.00 C ATOM 831 CD2 LEU A 55 0.803 7.475 -4.697 1.00 25.00 C ATOM 0 H LEU A 55 -3.726 6.615 -3.969 1.00 25.00 H new ATOM 0 HA LEU A 55 -2.499 5.157 -6.113 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -1.622 7.253 -5.507 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -1.681 6.893 -3.793 1.00 25.00 H new ATOM 0 HG LEU A 55 0.268 5.501 -3.937 1.00 25.00 H new ATOM 0 HD11 LEU A 55 1.588 5.197 -5.945 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.013 4.429 -6.062 1.00 25.00 H new ATOM 0 HD13 LEU A 55 0.303 5.963 -6.909 1.00 25.00 H new ATOM 0 HD21 LEU A 55 1.877 7.287 -4.705 1.00 25.00 H new ATOM 0 HD22 LEU A 55 0.537 8.100 -5.549 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.531 7.986 -3.773 1.00 25.00 H new ATOM 843 N LEU A 56 -2.188 3.998 -3.047 1.00 25.00 N ATOM 844 CA LEU A 56 -1.788 2.818 -2.301 1.00 25.00 C ATOM 845 C LEU A 56 -2.572 1.582 -2.763 1.00 25.00 C ATOM 846 O LEU A 56 -2.031 0.476 -2.836 1.00 25.00 O ATOM 847 CB LEU A 56 -1.974 3.086 -0.808 1.00 25.00 C ATOM 848 CG LEU A 56 -1.113 2.203 0.097 1.00 25.00 C ATOM 849 CD1 LEU A 56 -0.648 3.000 1.302 1.00 25.00 C ATOM 850 CD2 LEU A 56 -1.868 0.982 0.563 1.00 25.00 C ATOM 0 H LEU A 56 -2.585 4.748 -2.481 1.00 25.00 H new ATOM 0 HA LEU A 56 -0.735 2.606 -2.489 1.00 25.00 H new ATOM 0 HB2 LEU A 56 -1.741 4.131 -0.606 1.00 25.00 H new ATOM 0 HB3 LEU A 56 -3.023 2.938 -0.551 1.00 25.00 H new ATOM 0 HG LEU A 56 -0.253 1.870 -0.484 1.00 25.00 H new ATOM 0 HD11 LEU A 56 -0.035 2.366 1.943 1.00 25.00 H new ATOM 0 HD12 LEU A 56 -0.060 3.855 0.968 1.00 25.00 H new ATOM 0 HD13 LEU A 56 -1.514 3.352 1.862 1.00 25.00 H new ATOM 0 HD21 LEU A 56 -1.225 0.379 1.204 1.00 25.00 H new ATOM 0 HD22 LEU A 56 -2.750 1.292 1.123 1.00 25.00 H new ATOM 0 HD23 LEU A 56 -2.175 0.393 -0.301 1.00 25.00 H new ATOM 862 N GLU A 57 -3.822 1.791 -3.150 1.00 25.00 N ATOM 863 CA GLU A 57 -4.672 0.716 -3.653 1.00 25.00 C ATOM 864 C GLU A 57 -4.156 0.085 -4.950 1.00 25.00 C ATOM 865 O GLU A 57 -4.449 -1.067 -5.229 1.00 25.00 O ATOM 866 CB GLU A 57 -6.088 1.251 -3.888 1.00 25.00 C ATOM 867 CG GLU A 57 -7.132 0.156 -4.062 1.00 25.00 C ATOM 868 CD GLU A 57 -8.535 0.690 -4.057 1.00 25.00 C ATOM 869 OE1 GLU A 57 -8.879 1.664 -4.666 1.00 25.00 O ATOM 870 OE2 GLU A 57 -9.348 -0.013 -3.332 1.00 25.00 O ATOM 0 H GLU A 57 -4.276 2.704 -3.125 1.00 25.00 H new ATOM 0 HA GLU A 57 -4.666 -0.065 -2.893 1.00 25.00 H new ATOM 0 HB2 GLU A 57 -6.373 1.883 -3.047 1.00 25.00 H new ATOM 0 HB3 GLU A 57 -6.086 1.884 -4.776 1.00 25.00 H new ATOM 0 HG2 GLU A 57 -6.950 -0.368 -5.000 1.00 25.00 H new ATOM 0 HG3 GLU A 57 -7.023 -0.576 -3.261 1.00 25.00 H new ATOM 878 N THR A 58 -3.373 0.801 -5.738 1.00 25.00 N ATOM 879 CA THR A 58 -2.883 0.247 -7.006 1.00 25.00 C ATOM 880 C THR A 58 -1.842 -0.852 -6.783 1.00 25.00 C ATOM 881 O THR A 58 -1.512 -1.598 -7.697 1.00 25.00 O ATOM 882 CB THR A 58 -2.314 1.335 -7.936 1.00 25.00 C ATOM 883 OG1 THR A 58 -1.061 1.808 -7.437 1.00 25.00 O ATOM 884 CG2 THR A 58 -3.282 2.512 -8.021 1.00 25.00 C ATOM 0 H THR A 58 -3.062 1.751 -5.535 1.00 25.00 H new ATOM 0 HA THR A 58 -3.750 -0.195 -7.497 1.00 25.00 H new ATOM 0 HB THR A 58 -2.174 0.899 -8.925 1.00 25.00 H new ATOM 0 HG1 THR A 58 -1.202 2.271 -6.585 1.00 25.00 H new ATOM 0 HG21 THR A 58 -2.870 3.275 -8.681 1.00 25.00 H new ATOM 0 HG22 THR A 58 -4.238 2.169 -8.416 1.00 25.00 H new ATOM 0 HG23 THR A 58 -3.430 2.934 -7.027 1.00 25.00 H new ATOM 892 N TYR A 59 -1.326 -0.937 -5.564 1.00 25.00 N ATOM 893 CA TYR A 59 -0.362 -1.975 -5.199 1.00 25.00 C ATOM 894 C TYR A 59 -1.058 -3.146 -4.487 1.00 25.00 C ATOM 895 O TYR A 59 -0.414 -4.130 -4.127 1.00 25.00 O ATOM 896 CB TYR A 59 0.737 -1.381 -4.314 1.00 25.00 C ATOM 897 CG TYR A 59 1.675 -0.453 -5.068 1.00 25.00 C ATOM 898 CD1 TYR A 59 2.893 -0.936 -5.589 1.00 25.00 C ATOM 899 CD2 TYR A 59 1.360 0.912 -5.260 1.00 25.00 C ATOM 900 CE1 TYR A 59 3.787 -0.071 -6.281 1.00 25.00 C ATOM 901 CE2 TYR A 59 2.255 1.780 -5.952 1.00 25.00 C ATOM 902 CZ TYR A 59 3.462 1.279 -6.451 1.00 25.00 C ATOM 903 OH TYR A 59 4.356 2.090 -7.112 1.00 25.00 O ATOM 0 H TYR A 59 -1.559 -0.297 -4.805 1.00 25.00 H new ATOM 0 HA TYR A 59 0.092 -2.362 -6.111 1.00 25.00 H new ATOM 0 HB2 TYR A 59 0.276 -0.833 -3.492 1.00 25.00 H new ATOM 0 HB3 TYR A 59 1.316 -2.191 -3.871 1.00 25.00 H new ATOM 0 HD1 TYR A 59 3.151 -1.977 -5.461 1.00 25.00 H new ATOM 0 HD2 TYR A 59 0.429 1.303 -4.877 1.00 25.00 H new ATOM 0 HE1 TYR A 59 4.716 -0.457 -6.675 1.00 25.00 H new ATOM 0 HE2 TYR A 59 2.002 2.821 -6.090 1.00 25.00 H new ATOM 0 HH TYR A 59 4.147 3.029 -6.923 1.00 25.00 H new ATOM 913 N CYS A 60 -2.371 -3.055 -4.327 1.00 25.00 N ATOM 914 CA CYS A 60 -3.177 -4.151 -3.779 1.00 25.00 C ATOM 915 C CYS A 60 -3.359 -5.192 -4.870 1.00 25.00 C ATOM 916 O CYS A 60 -3.439 -4.855 -6.050 1.00 25.00 O ATOM 917 CB CYS A 60 -4.557 -3.618 -3.377 1.00 25.00 C ATOM 918 SG CYS A 60 -5.822 -4.826 -2.855 1.00 25.00 S ATOM 0 H CYS A 60 -2.911 -2.225 -4.571 1.00 25.00 H new ATOM 0 HA CYS A 60 -2.683 -4.581 -2.908 1.00 25.00 H new ATOM 0 HB2 CYS A 60 -4.417 -2.908 -2.562 1.00 25.00 H new ATOM 0 HB3 CYS A 60 -4.958 -3.058 -4.222 1.00 25.00 H new ATOM 923 N ALA A 61 -3.460 -6.453 -4.486 1.00 25.00 N ATOM 924 CA ALA A 61 -3.756 -7.497 -5.443 1.00 25.00 C ATOM 925 C ALA A 61 -5.254 -7.769 -5.436 1.00 25.00 C ATOM 926 O ALA A 61 -5.861 -7.872 -4.374 1.00 25.00 O ATOM 927 CB ALA A 61 -3.019 -8.739 -5.086 1.00 25.00 C ATOM 0 H ALA A 61 -3.342 -6.774 -3.525 1.00 25.00 H new ATOM 0 HA ALA A 61 -3.444 -7.177 -6.437 1.00 25.00 H new ATOM 0 HB1 ALA A 61 -3.248 -9.519 -5.812 1.00 25.00 H new ATOM 0 HB2 ALA A 61 -1.947 -8.541 -5.092 1.00 25.00 H new ATOM 0 HB3 ALA A 61 -3.321 -9.068 -4.092 1.00 25.00 H new ATOM 933 N THR A 62 -5.800 -7.965 -6.633 1.00 25.00 N ATOM 934 CA THR A 62 -7.214 -8.322 -6.860 1.00 25.00 C ATOM 935 C THR A 62 -8.191 -7.191 -6.447 1.00 25.00 C ATOM 936 O THR A 62 -7.827 -6.274 -5.718 1.00 25.00 O ATOM 937 CB THR A 62 -7.596 -9.703 -6.183 1.00 25.00 C ATOM 938 OG1 THR A 62 -7.846 -9.527 -4.789 1.00 25.00 O ATOM 939 CG2 THR A 62 -6.479 -10.738 -6.346 1.00 25.00 C ATOM 0 H THR A 62 -5.266 -7.880 -7.498 1.00 25.00 H new ATOM 0 HA THR A 62 -7.324 -8.449 -7.937 1.00 25.00 H new ATOM 0 HB THR A 62 -8.495 -10.063 -6.684 1.00 25.00 H new ATOM 0 HG1 THR A 62 -7.376 -8.728 -4.471 1.00 25.00 H new ATOM 0 HG21 THR A 62 -6.776 -11.672 -5.869 1.00 25.00 H new ATOM 0 HG22 THR A 62 -6.297 -10.913 -7.406 1.00 25.00 H new ATOM 0 HG23 THR A 62 -5.567 -10.366 -5.878 1.00 25.00 H new ATOM 947 N PRO A 63 -9.430 -7.208 -6.977 1.00 25.00 N ATOM 948 CA PRO A 63 -10.348 -6.112 -6.638 1.00 25.00 C ATOM 949 C PRO A 63 -10.856 -6.170 -5.195 1.00 25.00 C ATOM 950 O PRO A 63 -10.763 -7.205 -4.531 1.00 25.00 O ATOM 951 CB PRO A 63 -11.493 -6.308 -7.636 1.00 25.00 C ATOM 952 CG PRO A 63 -11.516 -7.766 -7.873 1.00 25.00 C ATOM 953 CD PRO A 63 -10.059 -8.160 -7.911 1.00 25.00 C ATOM 0 HA PRO A 63 -9.862 -5.138 -6.702 1.00 25.00 H new ATOM 0 HB2 PRO A 63 -12.441 -5.955 -7.230 1.00 25.00 H new ATOM 0 HB3 PRO A 63 -11.316 -5.756 -8.559 1.00 25.00 H new ATOM 0 HG2 PRO A 63 -12.049 -8.290 -7.080 1.00 25.00 H new ATOM 0 HG3 PRO A 63 -12.019 -8.009 -8.809 1.00 25.00 H new ATOM 0 HD2 PRO A 63 -9.912 -9.192 -7.594 1.00 25.00 H new ATOM 0 HD3 PRO A 63 -9.644 -8.073 -8.915 1.00 25.00 H new ATOM 961 N ALA A 64 -11.398 -5.053 -4.722 1.00 25.00 N ATOM 962 CA ALA A 64 -11.897 -4.955 -3.352 1.00 25.00 C ATOM 963 C ALA A 64 -12.998 -5.993 -3.090 1.00 25.00 C ATOM 964 O ALA A 64 -14.017 -6.034 -3.777 1.00 25.00 O ATOM 965 CB ALA A 64 -12.421 -3.531 -3.083 1.00 25.00 C ATOM 0 H ALA A 64 -11.504 -4.198 -5.269 1.00 25.00 H new ATOM 0 HA ALA A 64 -11.073 -5.164 -2.670 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -12.791 -3.467 -2.060 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -11.612 -2.813 -3.222 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -13.231 -3.304 -3.777 1.00 25.00 H new ATOM 971 N LYS A 65 -12.772 -6.827 -2.083 1.00 25.00 N ATOM 972 CA LYS A 65 -13.691 -7.921 -1.735 1.00 25.00 C ATOM 973 C LYS A 65 -15.035 -7.457 -1.170 1.00 25.00 C ATOM 974 O LYS A 65 -15.984 -8.227 -1.136 1.00 25.00 O ATOM 975 CB LYS A 65 -13.008 -8.864 -0.725 1.00 25.00 C ATOM 976 CG LYS A 65 -12.638 -8.188 0.616 1.00 25.00 C ATOM 977 CD LYS A 65 -11.782 -9.078 1.530 1.00 25.00 C ATOM 978 CE LYS A 65 -12.616 -10.141 2.248 1.00 25.00 C ATOM 979 NZ LYS A 65 -11.826 -10.841 3.320 1.00 25.00 N ATOM 0 H LYS A 65 -11.950 -6.771 -1.481 1.00 25.00 H new ATOM 0 HA LYS A 65 -13.916 -8.437 -2.669 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -13.670 -9.706 -0.525 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -12.103 -9.270 -1.177 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -12.098 -7.263 0.412 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -13.553 -7.914 1.141 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -11.007 -9.565 0.938 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -11.275 -8.457 2.268 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -13.496 -9.675 2.691 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -12.974 -10.873 1.524 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -11.963 -11.869 3.237 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -10.817 -10.616 3.210 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -12.152 -10.523 4.255 1.00 25.00 H new ATOM 993 N SER A 66 -15.102 -6.222 -0.694 1.00 25.00 N ATOM 994 CA SER A 66 -16.324 -5.701 -0.073 1.00 25.00 C ATOM 995 C SER A 66 -16.335 -4.177 -0.067 1.00 25.00 C ATOM 996 O SER A 66 -15.853 -3.547 0.867 1.00 25.00 O ATOM 997 CB SER A 66 -16.433 -6.207 1.371 1.00 25.00 C ATOM 998 OG SER A 66 -17.610 -5.721 1.992 1.00 25.00 O ATOM 0 H SER A 66 -14.328 -5.558 -0.723 1.00 25.00 H new ATOM 0 HA SER A 66 -17.172 -6.055 -0.659 1.00 25.00 H new ATOM 0 HB2 SER A 66 -16.437 -7.297 1.379 1.00 25.00 H new ATOM 0 HB3 SER A 66 -15.559 -5.887 1.939 1.00 25.00 H new ATOM 0 HG SER A 66 -17.658 -6.058 2.911 1.00 25.00 H new ATOM 1004 N GLU A 67 -16.895 -3.583 -1.130 1.00 25.00 N ATOM 1005 CA GLU A 67 -17.037 -2.114 -1.305 1.00 25.00 C ATOM 1006 C GLU A 67 -15.702 -1.351 -1.348 1.00 25.00 C ATOM 1007 O GLU A 67 -15.021 -1.335 -0.238 1.00 25.00 O ATOM 1008 CB GLU A 67 -18.038 -1.504 -0.283 1.00 25.00 C ATOM 1009 CG GLU A 67 -18.373 -0.037 -0.628 1.00 25.00 C ATOM 1010 CD GLU A 67 -19.357 0.547 0.360 1.00 25.00 C ATOM 1011 OE1 GLU A 67 -19.894 -0.069 1.251 1.00 25.00 O ATOM 1012 OE2 GLU A 67 -19.609 1.795 0.165 1.00 25.00 O ATOM 0 H GLU A 67 -17.273 -4.114 -1.914 1.00 25.00 H new ATOM 0 HA GLU A 67 -17.463 -1.981 -2.300 1.00 25.00 H new ATOM 0 HB2 GLU A 67 -18.954 -2.095 -0.272 1.00 25.00 H new ATOM 0 HB3 GLU A 67 -17.613 -1.556 0.719 1.00 25.00 H new ATOM 0 HG2 GLU A 67 -17.459 0.557 -0.629 1.00 25.00 H new ATOM 0 HG3 GLU A 67 -18.789 0.017 -1.634 1.00 25.00 H new TER 1019 GLU A 67