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+ 166:sc= -0.18 (180deg=-0.455) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 18:sc= 1.03 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 75:sc= 0.655 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -88:sc= 0.166 USER MOD Single : A 33 SER OG : rot 102:sc= 1.34 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -160:sc= 0.116 USER MOD Single : A 50 SER OG : rot -170:sc= -0.0191 USER MOD Single : A 58 THR OG1 : rot -51:sc= 1.34 USER MOD Single : A 59 TYR OH : rot -140:sc= 0.0658 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 -6.176 14.336 2.473 1.00 25.00 N ATOM 2 CA ALA A 1 -4.862 13.904 3.003 1.00 25.00 C ATOM 3 C ALA A 1 -4.373 14.789 4.144 1.00 25.00 C ATOM 4 O ALA A 1 -3.225 14.870 4.500 1.00 25.00 O ATOM 5 CB ALA A 1 -3.863 13.879 1.840 1.00 25.00 C ATOM 0 H1 ALA A 1 -6.355 13.865 1.563 1.00 25.00 H new ATOM 0 H2 ALA A 1 -6.924 14.080 3.148 1.00 25.00 H new ATOM 0 H3 ALA A 1 -6.173 15.367 2.335 1.00 25.00 H new ATOM 0 HA ALA A 1 -4.961 12.907 3.432 1.00 25.00 H new ATOM 0 HB1 ALA A 1 -2.886 13.563 2.206 1.00 25.00 H new ATOM 0 HB2 ALA A 1 -4.208 13.180 1.079 1.00 25.00 H new ATOM 0 HB3 ALA A 1 -3.783 14.876 1.407 1.00 25.00 H new ATOM 10 N TYR A 2 -5.367 15.473 4.724 1.00 25.00 N ATOM 11 CA TYR A 2 -5.202 16.417 5.840 1.00 25.00 C ATOM 12 C TYR A 2 -4.742 15.702 7.119 1.00 25.00 C ATOM 13 O TYR A 2 -4.231 16.303 8.059 1.00 25.00 O ATOM 14 CB TYR A 2 -6.542 17.115 6.088 1.00 25.00 C ATOM 15 CG TYR A 2 -6.454 18.345 6.964 1.00 25.00 C ATOM 16 CD1 TYR A 2 -6.632 18.252 8.359 1.00 25.00 C ATOM 17 CD2 TYR A 2 -6.203 19.614 6.403 1.00 25.00 C ATOM 18 CE1 TYR A 2 -6.563 19.410 9.185 1.00 25.00 C ATOM 19 CE2 TYR A 2 -6.136 20.775 7.224 1.00 25.00 C ATOM 20 CZ TYR A 2 -6.317 20.659 8.606 1.00 25.00 C ATOM 21 OH TYR A 2 -6.254 21.776 9.397 1.00 25.00 O ATOM 0 H TYR A 2 -6.337 15.383 4.422 1.00 25.00 H new ATOM 0 HA TYR A 2 -4.434 17.144 5.576 1.00 25.00 H new ATOM 0 HB2 TYR A 2 -6.973 17.398 5.128 1.00 25.00 H new ATOM 0 HB3 TYR A 2 -7.228 16.404 6.549 1.00 25.00 H new ATOM 0 HD1 TYR A 2 -6.823 17.289 8.808 1.00 25.00 H new ATOM 0 HD2 TYR A 2 -6.060 19.706 5.337 1.00 25.00 H new ATOM 0 HE1 TYR A 2 -6.700 19.324 10.253 1.00 25.00 H new ATOM 0 HE2 TYR A 2 -5.946 21.742 6.781 1.00 25.00 H new ATOM 0 HH TYR A 2 -6.075 22.562 8.840 1.00 25.00 H new ATOM 31 N ARG A 3 -4.949 14.397 7.128 1.00 25.00 N ATOM 32 CA ARG A 3 -4.570 13.537 8.254 1.00 25.00 C ATOM 33 C ARG A 3 -3.054 13.602 8.539 1.00 25.00 C ATOM 34 O ARG A 3 -2.252 13.791 7.626 1.00 25.00 O ATOM 35 CB ARG A 3 -5.018 12.084 7.974 1.00 25.00 C ATOM 36 CG ARG A 3 -4.487 11.469 6.658 1.00 25.00 C ATOM 37 CD ARG A 3 -3.289 10.548 6.853 1.00 25.00 C ATOM 38 NE ARG A 3 -3.629 9.322 7.599 1.00 25.00 N ATOM 39 CZ ARG A 3 -2.755 8.403 8.005 1.00 25.00 C ATOM 40 NH1 ARG A 3 -1.471 8.507 7.794 1.00 25.00 N ATOM 41 NH2 ARG A 3 -3.188 7.351 8.645 1.00 25.00 N ATOM 0 H ARG A 3 -5.386 13.894 6.355 1.00 25.00 H new ATOM 0 HA ARG A 3 -5.077 13.901 9.148 1.00 25.00 H new ATOM 0 HB2 ARG A 3 -4.696 11.456 8.805 1.00 25.00 H new ATOM 0 HB3 ARG A 3 -6.107 12.055 7.956 1.00 25.00 H new ATOM 0 HG2 ARG A 3 -5.290 10.909 6.179 1.00 25.00 H new ATOM 0 HG3 ARG A 3 -4.209 12.274 5.977 1.00 25.00 H new ATOM 0 HD2 ARG A 3 -2.884 10.275 5.879 1.00 25.00 H new ATOM 0 HD3 ARG A 3 -2.505 11.086 7.385 1.00 25.00 H new ATOM 0 HE ARG A 3 -4.612 9.166 7.822 1.00 25.00 H new ATOM 0 HH11 ARG A 3 -1.099 9.318 7.299 1.00 25.00 H new ATOM 0 HH12 ARG A 3 -0.839 7.777 8.124 1.00 25.00 H new ATOM 0 HH21 ARG A 3 -4.185 7.240 8.829 1.00 25.00 H new ATOM 0 HH22 ARG A 3 -2.529 6.640 8.961 1.00 25.00 H new ATOM 55 N PRO A 4 -2.651 13.430 9.814 1.00 25.00 N ATOM 56 CA PRO A 4 -1.228 13.483 10.181 1.00 25.00 C ATOM 57 C PRO A 4 -0.463 12.256 9.687 1.00 25.00 C ATOM 58 O PRO A 4 -1.055 11.350 9.120 1.00 25.00 O ATOM 59 CB PRO A 4 -1.276 13.532 11.712 1.00 25.00 C ATOM 60 CG PRO A 4 -2.488 12.762 12.048 1.00 25.00 C ATOM 61 CD PRO A 4 -3.491 13.162 10.999 1.00 25.00 C ATOM 0 HA PRO A 4 -0.706 14.329 9.734 1.00 25.00 H new ATOM 0 HB2 PRO A 4 -0.384 13.089 12.155 1.00 25.00 H new ATOM 0 HB3 PRO A 4 -1.338 14.557 12.078 1.00 25.00 H new ATOM 0 HG2 PRO A 4 -2.296 11.689 12.025 1.00 25.00 H new ATOM 0 HG3 PRO A 4 -2.845 13.001 13.050 1.00 25.00 H new ATOM 0 HD2 PRO A 4 -4.214 12.368 10.809 1.00 25.00 H new ATOM 0 HD3 PRO A 4 -4.057 14.044 11.299 1.00 25.00 H new ATOM 69 N SER A 5 0.849 12.237 9.922 1.00 25.00 N ATOM 70 CA SER A 5 1.746 11.151 9.461 1.00 25.00 C ATOM 71 C SER A 5 1.598 10.935 7.949 1.00 25.00 C ATOM 72 O SER A 5 1.061 9.939 7.480 1.00 25.00 O ATOM 73 CB SER A 5 1.549 9.841 10.261 1.00 25.00 C ATOM 74 OG SER A 5 0.208 9.384 10.272 1.00 25.00 O ATOM 0 H SER A 5 1.332 12.972 10.439 1.00 25.00 H new ATOM 0 HA SER A 5 2.771 11.466 9.656 1.00 25.00 H new ATOM 0 HB2 SER A 5 2.186 9.065 9.836 1.00 25.00 H new ATOM 0 HB3 SER A 5 1.880 9.998 11.288 1.00 25.00 H new ATOM 0 HG SER A 5 -0.291 9.816 9.547 1.00 25.00 H new ATOM 80 N GLU A 6 2.073 11.921 7.201 1.00 25.00 N ATOM 81 CA GLU A 6 1.970 11.931 5.739 1.00 25.00 C ATOM 82 C GLU A 6 2.770 10.820 5.041 1.00 25.00 C ATOM 83 O GLU A 6 2.562 10.552 3.860 1.00 25.00 O ATOM 84 CB GLU A 6 2.462 13.289 5.223 1.00 25.00 C ATOM 85 CG GLU A 6 3.972 13.521 5.410 1.00 25.00 C ATOM 86 CD GLU A 6 4.401 14.896 4.997 1.00 25.00 C ATOM 87 OE1 GLU A 6 4.303 15.855 5.701 1.00 25.00 O ATOM 88 OE2 GLU A 6 4.894 14.944 3.802 1.00 25.00 O ATOM 0 H GLU A 6 2.542 12.740 7.587 1.00 25.00 H new ATOM 0 HA GLU A 6 0.921 11.752 5.501 1.00 25.00 H new ATOM 0 HB2 GLU A 6 2.221 13.372 4.163 1.00 25.00 H new ATOM 0 HB3 GLU A 6 1.917 14.081 5.737 1.00 25.00 H new ATOM 0 HG2 GLU A 6 4.233 13.362 6.456 1.00 25.00 H new ATOM 0 HG3 GLU A 6 4.524 12.783 4.828 1.00 25.00 H new ATOM 96 N THR A 7 3.702 10.214 5.761 1.00 25.00 N ATOM 97 CA THR A 7 4.579 9.190 5.207 1.00 25.00 C ATOM 98 C THR A 7 4.492 7.908 6.005 1.00 25.00 C ATOM 99 O THR A 7 4.199 7.914 7.201 1.00 25.00 O ATOM 100 CB THR A 7 6.047 9.667 5.226 1.00 25.00 C ATOM 101 OG1 THR A 7 6.246 10.522 6.356 1.00 25.00 O ATOM 102 CG2 THR A 7 6.381 10.453 3.976 1.00 25.00 C ATOM 0 H THR A 7 3.873 10.417 6.746 1.00 25.00 H new ATOM 0 HA THR A 7 4.254 9.007 4.183 1.00 25.00 H new ATOM 0 HB THR A 7 6.690 8.789 5.279 1.00 25.00 H new ATOM 0 HG1 THR A 7 7.177 10.827 6.375 1.00 25.00 H new ATOM 0 HG21 THR A 7 7.421 10.776 4.017 1.00 25.00 H new ATOM 0 HG22 THR A 7 6.231 9.823 3.099 1.00 25.00 H new ATOM 0 HG23 THR A 7 5.732 11.326 3.911 1.00 25.00 H new ATOM 110 N LEU A 8 4.750 6.806 5.322 1.00 25.00 N ATOM 111 CA LEU A 8 4.707 5.479 5.906 1.00 25.00 C ATOM 112 C LEU A 8 5.980 4.741 5.585 1.00 25.00 C ATOM 113 O LEU A 8 6.401 4.654 4.437 1.00 25.00 O ATOM 114 CB LEU A 8 3.561 4.688 5.316 1.00 25.00 C ATOM 115 CG LEU A 8 2.147 5.127 5.658 1.00 25.00 C ATOM 116 CD1 LEU A 8 1.199 4.396 4.747 1.00 25.00 C ATOM 117 CD2 LEU A 8 1.804 4.864 7.126 1.00 25.00 C ATOM 0 H LEU A 8 4.999 6.809 4.333 1.00 25.00 H new ATOM 0 HA LEU A 8 4.582 5.584 6.984 1.00 25.00 H new ATOM 0 HB2 LEU A 8 3.664 4.707 4.231 1.00 25.00 H new ATOM 0 HB3 LEU A 8 3.674 3.650 5.629 1.00 25.00 H new ATOM 0 HG LEU A 8 2.060 6.204 5.512 1.00 25.00 H new ATOM 0 HD11 LEU A 8 0.175 4.694 4.973 1.00 25.00 H new ATOM 0 HD12 LEU A 8 1.428 4.642 3.710 1.00 25.00 H new ATOM 0 HD13 LEU A 8 1.306 3.322 4.897 1.00 25.00 H new ATOM 0 HD21 LEU A 8 0.784 5.193 7.326 1.00 25.00 H new ATOM 0 HD22 LEU A 8 1.888 3.797 7.334 1.00 25.00 H new ATOM 0 HD23 LEU A 8 2.495 5.414 7.765 1.00 25.00 H new ATOM 129 N CYS A 9 6.574 4.180 6.617 1.00 25.00 N ATOM 130 CA CYS A 9 7.823 3.441 6.498 1.00 25.00 C ATOM 131 C CYS A 9 7.982 2.677 7.800 1.00 25.00 C ATOM 132 O CYS A 9 7.117 2.769 8.664 1.00 25.00 O ATOM 133 CB CYS A 9 8.995 4.411 6.287 1.00 25.00 C ATOM 134 SG CYS A 9 10.111 3.911 4.935 1.00 25.00 S ATOM 0 H CYS A 9 6.207 4.221 7.568 1.00 25.00 H new ATOM 0 HA CYS A 9 7.812 2.764 5.644 1.00 25.00 H new ATOM 0 HB2 CYS A 9 8.601 5.405 6.075 1.00 25.00 H new ATOM 0 HB3 CYS A 9 9.567 4.486 7.212 1.00 25.00 H new ATOM 139 N GLY A 10 9.067 1.925 7.947 1.00 25.00 N ATOM 140 CA GLY A 10 9.323 1.232 9.207 1.00 25.00 C ATOM 141 C GLY A 10 8.249 0.233 9.598 1.00 25.00 C ATOM 142 O GLY A 10 7.966 0.056 10.769 1.00 25.00 O ATOM 0 H GLY A 10 9.773 1.780 7.225 1.00 25.00 H new ATOM 0 HA2 GLY A 10 10.278 0.712 9.135 1.00 25.00 H new ATOM 0 HA3 GLY A 10 9.422 1.971 10.002 1.00 25.00 H new ATOM 146 N GLY A 11 7.627 -0.397 8.611 1.00 25.00 N ATOM 147 CA GLY A 11 6.573 -1.366 8.884 1.00 25.00 C ATOM 148 C GLY A 11 5.173 -0.774 8.877 1.00 25.00 C ATOM 149 O GLY A 11 4.225 -1.471 8.558 1.00 25.00 O ATOM 0 H GLY A 11 7.831 -0.257 7.622 1.00 25.00 H new ATOM 0 HA2 GLY A 11 6.624 -2.162 8.141 1.00 25.00 H new ATOM 0 HA3 GLY A 11 6.758 -1.825 9.855 1.00 25.00 H new ATOM 153 N GLU A 12 5.037 0.518 9.149 1.00 25.00 N ATOM 154 CA GLU A 12 3.715 1.168 9.134 1.00 25.00 C ATOM 155 C GLU A 12 3.116 1.136 7.727 1.00 25.00 C ATOM 156 O GLU A 12 1.904 1.105 7.545 1.00 25.00 O ATOM 157 CB GLU A 12 3.831 2.621 9.612 1.00 25.00 C ATOM 158 CG GLU A 12 4.320 2.769 11.054 1.00 25.00 C ATOM 159 CD GLU A 12 3.265 2.405 12.059 1.00 25.00 C ATOM 160 OE1 GLU A 12 2.505 3.192 12.533 1.00 25.00 O ATOM 161 OE2 GLU A 12 3.260 1.157 12.379 1.00 25.00 O ATOM 0 H GLU A 12 5.812 1.139 9.381 1.00 25.00 H new ATOM 0 HA GLU A 12 3.058 0.620 9.810 1.00 25.00 H new ATOM 0 HB2 GLU A 12 4.514 3.156 8.952 1.00 25.00 H new ATOM 0 HB3 GLU A 12 2.857 3.101 9.519 1.00 25.00 H new ATOM 0 HG2 GLU A 12 5.194 2.136 11.205 1.00 25.00 H new ATOM 0 HG3 GLU A 12 4.638 3.798 11.223 1.00 25.00 H new ATOM 168 N LEU A 13 3.982 1.106 6.727 1.00 25.00 N ATOM 169 CA LEU A 13 3.547 0.996 5.339 1.00 25.00 C ATOM 170 C LEU A 13 2.878 -0.361 5.101 1.00 25.00 C ATOM 171 O LEU A 13 1.872 -0.458 4.416 1.00 25.00 O ATOM 172 CB LEU A 13 4.765 1.144 4.415 1.00 25.00 C ATOM 173 CG LEU A 13 4.525 1.046 2.898 1.00 25.00 C ATOM 174 CD1 LEU A 13 3.402 1.959 2.426 1.00 25.00 C ATOM 175 CD2 LEU A 13 5.834 1.406 2.182 1.00 25.00 C ATOM 0 H LEU A 13 4.993 1.156 6.848 1.00 25.00 H new ATOM 0 HA LEU A 13 2.825 1.784 5.124 1.00 25.00 H new ATOM 0 HB2 LEU A 13 5.227 2.110 4.620 1.00 25.00 H new ATOM 0 HB3 LEU A 13 5.491 0.379 4.690 1.00 25.00 H new ATOM 0 HG LEU A 13 4.218 0.028 2.661 1.00 25.00 H new ATOM 0 HD11 LEU A 13 3.274 1.851 1.349 1.00 25.00 H new ATOM 0 HD12 LEU A 13 2.475 1.686 2.931 1.00 25.00 H new ATOM 0 HD13 LEU A 13 3.652 2.994 2.660 1.00 25.00 H new ATOM 0 HD21 LEU A 13 5.688 1.343 1.104 1.00 25.00 H new ATOM 0 HD22 LEU A 13 6.128 2.421 2.450 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.617 0.710 2.483 1.00 25.00 H new ATOM 187 N VAL A 14 3.450 -1.405 5.684 1.00 25.00 N ATOM 188 CA VAL A 14 2.936 -2.770 5.533 1.00 25.00 C ATOM 189 C VAL A 14 1.608 -2.893 6.266 1.00 25.00 C ATOM 190 O VAL A 14 0.678 -3.508 5.765 1.00 25.00 O ATOM 191 CB VAL A 14 3.950 -3.815 6.107 1.00 25.00 C ATOM 192 CG1 VAL A 14 3.399 -5.233 6.013 1.00 25.00 C ATOM 193 CG2 VAL A 14 5.286 -3.735 5.348 1.00 25.00 C ATOM 0 H VAL A 14 4.280 -1.337 6.273 1.00 25.00 H new ATOM 0 HA VAL A 14 2.796 -2.974 4.471 1.00 25.00 H new ATOM 0 HB VAL A 14 4.111 -3.575 7.158 1.00 25.00 H new ATOM 0 HG11 VAL A 14 4.128 -5.934 6.420 1.00 25.00 H new ATOM 0 HG12 VAL A 14 2.472 -5.302 6.582 1.00 25.00 H new ATOM 0 HG13 VAL A 14 3.203 -5.479 4.969 1.00 25.00 H new ATOM 0 HG21 VAL A 14 5.982 -4.467 5.758 1.00 25.00 H new ATOM 0 HG22 VAL A 14 5.118 -3.946 4.292 1.00 25.00 H new ATOM 0 HG23 VAL A 14 5.706 -2.735 5.456 1.00 25.00 H new ATOM 203 N ASP A 15 1.515 -2.269 7.432 1.00 25.00 N ATOM 204 CA ASP A 15 0.279 -2.265 8.214 1.00 25.00 C ATOM 205 C ASP A 15 -0.848 -1.633 7.397 1.00 25.00 C ATOM 206 O ASP A 15 -1.934 -2.192 7.254 1.00 25.00 O ATOM 207 CB ASP A 15 0.503 -1.470 9.500 1.00 25.00 C ATOM 208 CG ASP A 15 -0.691 -1.521 10.429 1.00 25.00 C ATOM 209 OD1 ASP A 15 -1.029 -2.622 10.904 1.00 25.00 O ATOM 210 OD2 ASP A 15 -1.254 -0.447 10.728 1.00 25.00 O ATOM 0 H ASP A 15 2.284 -1.755 7.862 1.00 25.00 H new ATOM 0 HA ASP A 15 -0.001 -3.288 8.464 1.00 25.00 H new ATOM 0 HB2 ASP A 15 1.379 -1.862 10.017 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.719 -0.432 9.248 1.00 25.00 H new ATOM 215 N THR A 16 -0.552 -0.499 6.781 1.00 25.00 N ATOM 216 CA THR A 16 -1.523 0.174 5.923 1.00 25.00 C ATOM 217 C THR A 16 -1.884 -0.687 4.710 1.00 25.00 C ATOM 218 O THR A 16 -3.038 -0.752 4.328 1.00 25.00 O ATOM 219 CB THR A 16 -0.984 1.529 5.435 1.00 25.00 C ATOM 220 OG1 THR A 16 -0.584 2.310 6.567 1.00 25.00 O ATOM 221 CG2 THR A 16 -2.049 2.317 4.672 1.00 25.00 C ATOM 0 H THR A 16 0.348 -0.025 6.857 1.00 25.00 H new ATOM 0 HA THR A 16 -2.418 0.337 6.523 1.00 25.00 H new ATOM 0 HB THR A 16 -0.144 1.333 4.769 1.00 25.00 H new ATOM 0 HG1 THR A 16 0.264 1.967 6.918 1.00 25.00 H new ATOM 0 HG21 THR A 16 -1.631 3.269 4.343 1.00 25.00 H new ATOM 0 HG22 THR A 16 -2.374 1.743 3.804 1.00 25.00 H new ATOM 0 HG23 THR A 16 -2.902 2.502 5.325 1.00 25.00 H new ATOM 229 N LEU A 17 -0.912 -1.368 4.121 1.00 25.00 N ATOM 230 CA LEU A 17 -1.186 -2.232 2.972 1.00 25.00 C ATOM 231 C LEU A 17 -2.124 -3.374 3.358 1.00 25.00 C ATOM 232 O LEU A 17 -3.020 -3.720 2.595 1.00 25.00 O ATOM 233 CB LEU A 17 0.117 -2.793 2.403 1.00 25.00 C ATOM 234 CG LEU A 17 0.842 -1.842 1.440 1.00 25.00 C ATOM 235 CD1 LEU A 17 2.325 -2.137 1.418 1.00 25.00 C ATOM 236 CD2 LEU A 17 0.283 -1.968 0.019 1.00 25.00 C ATOM 0 H LEU A 17 0.065 -1.343 4.412 1.00 25.00 H new ATOM 0 HA LEU A 17 -1.675 -1.629 2.207 1.00 25.00 H new ATOM 0 HB2 LEU A 17 0.786 -3.036 3.228 1.00 25.00 H new ATOM 0 HB3 LEU A 17 -0.099 -3.726 1.882 1.00 25.00 H new ATOM 0 HG LEU A 17 0.679 -0.825 1.797 1.00 25.00 H new ATOM 0 HD11 LEU A 17 2.822 -1.453 0.730 1.00 25.00 H new ATOM 0 HD12 LEU A 17 2.737 -2.007 2.419 1.00 25.00 H new ATOM 0 HD13 LEU A 17 2.487 -3.164 1.089 1.00 25.00 H new ATOM 0 HD21 LEU A 17 0.814 -1.284 -0.643 1.00 25.00 H new ATOM 0 HD22 LEU A 17 0.415 -2.991 -0.335 1.00 25.00 H new ATOM 0 HD23 LEU A 17 -0.778 -1.719 0.022 1.00 25.00 H new ATOM 248 N GLN A 18 -1.959 -3.924 4.552 1.00 25.00 N ATOM 249 CA GLN A 18 -2.854 -4.978 5.028 1.00 25.00 C ATOM 250 C GLN A 18 -4.260 -4.422 5.235 1.00 25.00 C ATOM 251 O GLN A 18 -5.235 -5.072 4.895 1.00 25.00 O ATOM 252 CB GLN A 18 -2.338 -5.584 6.337 1.00 25.00 C ATOM 253 CG GLN A 18 -1.098 -6.449 6.157 1.00 25.00 C ATOM 254 CD GLN A 18 -0.588 -7.030 7.460 1.00 25.00 C ATOM 255 OE1 GLN A 18 -1.328 -7.226 8.401 1.00 25.00 O ATOM 256 NE2 GLN A 18 0.683 -7.337 7.502 1.00 25.00 N ATOM 0 H GLN A 18 -1.222 -3.664 5.207 1.00 25.00 H new ATOM 0 HA GLN A 18 -2.885 -5.762 4.272 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -2.112 -4.779 7.037 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -3.129 -6.185 6.787 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -1.326 -7.262 5.467 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -0.309 -5.853 5.698 1.00 25.00 H new ATOM 0 HE21 GLN A 18 1.278 -7.159 6.693 1.00 25.00 H new ATOM 0 HE22 GLN A 18 1.079 -7.755 8.344 1.00 25.00 H new ATOM 265 N PHE A 19 -4.366 -3.206 5.749 1.00 25.00 N ATOM 266 CA PHE A 19 -5.670 -2.566 5.929 1.00 25.00 C ATOM 267 C PHE A 19 -6.370 -2.266 4.594 1.00 25.00 C ATOM 268 O PHE A 19 -7.553 -2.542 4.434 1.00 25.00 O ATOM 269 CB PHE A 19 -5.501 -1.262 6.716 1.00 25.00 C ATOM 270 CG PHE A 19 -6.725 -0.385 6.699 1.00 25.00 C ATOM 271 CD1 PHE A 19 -6.735 0.802 5.938 1.00 25.00 C ATOM 272 CD2 PHE A 19 -7.879 -0.744 7.418 1.00 25.00 C ATOM 273 CE1 PHE A 19 -7.888 1.625 5.891 1.00 25.00 C ATOM 274 CE2 PHE A 19 -9.040 0.069 7.376 1.00 25.00 C ATOM 275 CZ PHE A 19 -9.043 1.254 6.610 1.00 25.00 C ATOM 0 H PHE A 19 -3.572 -2.641 6.049 1.00 25.00 H new ATOM 0 HA PHE A 19 -6.298 -3.267 6.479 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -5.250 -1.501 7.749 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -4.659 -0.705 6.304 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -5.853 1.088 5.384 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -7.881 -1.648 8.008 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -7.882 2.533 5.307 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -9.921 -0.219 7.930 1.00 25.00 H new ATOM 0 HZ PHE A 19 -9.926 1.874 6.574 1.00 25.00 H new ATOM 285 N VAL A 20 -5.651 -1.669 3.654 1.00 25.00 N ATOM 286 CA VAL A 20 -6.247 -1.242 2.383 1.00 25.00 C ATOM 287 C VAL A 20 -6.579 -2.430 1.477 1.00 25.00 C ATOM 288 O VAL A 20 -7.624 -2.446 0.826 1.00 25.00 O ATOM 289 CB VAL A 20 -5.290 -0.252 1.631 1.00 25.00 C ATOM 290 CG1 VAL A 20 -5.840 0.128 0.248 1.00 25.00 C ATOM 291 CG2 VAL A 20 -5.102 1.032 2.456 1.00 25.00 C ATOM 0 H VAL A 20 -4.655 -1.467 3.741 1.00 25.00 H new ATOM 0 HA VAL A 20 -7.180 -0.733 2.622 1.00 25.00 H new ATOM 0 HB VAL A 20 -4.335 -0.762 1.501 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -5.150 0.815 -0.242 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -5.950 -0.770 -0.359 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -6.811 0.610 0.362 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -4.436 1.712 1.924 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -6.068 1.514 2.605 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -4.668 0.782 3.424 1.00 25.00 H new ATOM 301 N CYS A 21 -5.691 -3.410 1.410 1.00 25.00 N ATOM 302 CA CYS A 21 -5.891 -4.539 0.505 1.00 25.00 C ATOM 303 C CYS A 21 -6.643 -5.697 1.149 1.00 25.00 C ATOM 304 O CYS A 21 -7.190 -6.547 0.450 1.00 25.00 O ATOM 305 CB CYS A 21 -4.545 -5.027 -0.015 1.00 25.00 C ATOM 306 SG CYS A 21 -3.603 -3.708 -0.851 1.00 25.00 S ATOM 0 H CYS A 21 -4.834 -3.450 1.962 1.00 25.00 H new ATOM 0 HA CYS A 21 -6.509 -4.178 -0.317 1.00 25.00 H new ATOM 0 HB2 CYS A 21 -3.958 -5.418 0.816 1.00 25.00 H new ATOM 0 HB3 CYS A 21 -4.704 -5.852 -0.709 1.00 25.00 H new ATOM 311 N GLY A 22 -6.688 -5.726 2.470 1.00 25.00 N ATOM 312 CA GLY A 22 -7.422 -6.768 3.168 1.00 25.00 C ATOM 313 C GLY A 22 -6.922 -8.169 2.881 1.00 25.00 C ATOM 314 O GLY A 22 -5.722 -8.432 2.784 1.00 25.00 O ATOM 0 H GLY A 22 -6.229 -5.046 3.077 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -7.363 -6.584 4.241 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -8.474 -6.705 2.892 1.00 25.00 H new ATOM 318 N ASP A 23 -7.876 -9.068 2.706 1.00 25.00 N ATOM 319 CA ASP A 23 -7.621 -10.481 2.424 1.00 25.00 C ATOM 320 C ASP A 23 -7.064 -10.704 1.026 1.00 25.00 C ATOM 321 O ASP A 23 -6.610 -11.796 0.692 1.00 25.00 O ATOM 322 CB ASP A 23 -8.944 -11.256 2.521 1.00 25.00 C ATOM 323 CG ASP A 23 -9.965 -10.806 1.466 1.00 25.00 C ATOM 324 OD1 ASP A 23 -10.361 -11.629 0.615 1.00 25.00 O ATOM 325 OD2 ASP A 23 -10.361 -9.615 1.488 1.00 25.00 O ATOM 0 H ASP A 23 -8.868 -8.838 2.756 1.00 25.00 H new ATOM 0 HA ASP A 23 -6.887 -10.826 3.152 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -8.747 -12.321 2.401 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -9.369 -11.120 3.515 1.00 25.00 H new ATOM 330 N ARG A 24 -7.145 -9.682 0.189 1.00 25.00 N ATOM 331 CA ARG A 24 -6.809 -9.825 -1.224 1.00 25.00 C ATOM 332 C ARG A 24 -5.309 -9.806 -1.487 1.00 25.00 C ATOM 333 O ARG A 24 -4.858 -10.254 -2.534 1.00 25.00 O ATOM 334 CB ARG A 24 -7.529 -8.739 -2.025 1.00 25.00 C ATOM 335 CG ARG A 24 -8.981 -8.555 -1.553 1.00 25.00 C ATOM 336 CD ARG A 24 -9.834 -7.846 -2.566 1.00 25.00 C ATOM 337 NE ARG A 24 -10.385 -8.806 -3.534 1.00 25.00 N ATOM 338 CZ ARG A 24 -11.253 -8.514 -4.492 1.00 25.00 C ATOM 339 NH1 ARG A 24 -11.707 -7.298 -4.677 1.00 25.00 N ATOM 340 NH2 ARG A 24 -11.676 -9.468 -5.274 1.00 25.00 N ATOM 0 H ARG A 24 -7.440 -8.744 0.460 1.00 25.00 H new ATOM 0 HA ARG A 24 -7.149 -10.808 -1.550 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -6.991 -7.796 -1.925 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -7.520 -9.001 -3.083 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -9.415 -9.531 -1.338 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -8.987 -7.991 -0.620 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -10.646 -7.320 -2.063 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -9.242 -7.094 -3.087 1.00 25.00 H new ATOM 0 HE ARG A 24 -10.074 -9.775 -3.462 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -11.393 -6.539 -4.073 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -12.375 -7.111 -5.425 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -11.339 -10.422 -5.143 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -12.344 -9.260 -6.016 1.00 25.00 H new ATOM 354 N GLY A 25 -4.536 -9.346 -0.511 1.00 25.00 N ATOM 355 CA GLY A 25 -3.088 -9.387 -0.619 1.00 25.00 C ATOM 356 C GLY A 25 -2.504 -8.208 -1.368 1.00 25.00 C ATOM 357 O GLY A 25 -3.231 -7.403 -1.940 1.00 25.00 O ATOM 0 H GLY A 25 -4.887 -8.943 0.358 1.00 25.00 H new ATOM 0 HA2 GLY A 25 -2.658 -9.420 0.382 1.00 25.00 H new ATOM 0 HA3 GLY A 25 -2.795 -10.308 -1.123 1.00 25.00 H new ATOM 361 N PHE A 26 -1.185 -8.097 -1.347 1.00 25.00 N ATOM 362 CA PHE A 26 -0.478 -6.979 -1.969 1.00 25.00 C ATOM 363 C PHE A 26 0.963 -7.385 -2.256 1.00 25.00 C ATOM 364 O PHE A 26 1.436 -8.389 -1.720 1.00 25.00 O ATOM 365 CB PHE A 26 -0.496 -5.777 -1.021 1.00 25.00 C ATOM 366 CG PHE A 26 0.236 -6.010 0.272 1.00 25.00 C ATOM 367 CD1 PHE A 26 1.620 -5.763 0.371 1.00 25.00 C ATOM 368 CD2 PHE A 26 -0.456 -6.484 1.403 1.00 25.00 C ATOM 369 CE1 PHE A 26 2.311 -5.999 1.587 1.00 25.00 C ATOM 370 CE2 PHE A 26 0.225 -6.720 2.620 1.00 25.00 C ATOM 371 CZ PHE A 26 1.611 -6.479 2.709 1.00 25.00 C ATOM 0 H PHE A 26 -0.571 -8.777 -0.899 1.00 25.00 H new ATOM 0 HA PHE A 26 -0.969 -6.710 -2.904 1.00 25.00 H new ATOM 0 HB2 PHE A 26 -0.053 -4.920 -1.528 1.00 25.00 H new ATOM 0 HB3 PHE A 26 -1.531 -5.517 -0.799 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.160 -5.390 -0.487 1.00 25.00 H new ATOM 0 HD2 PHE A 26 -1.518 -6.669 1.341 1.00 25.00 H new ATOM 0 HE1 PHE A 26 3.372 -5.811 1.651 1.00 25.00 H new ATOM 0 HE2 PHE A 26 -0.316 -7.085 3.480 1.00 25.00 H new ATOM 0 HZ PHE A 26 2.134 -6.662 3.636 1.00 25.00 H new ATOM 381 N TYR A 27 1.667 -6.603 -3.068 1.00 25.00 N ATOM 382 CA TYR A 27 3.077 -6.877 -3.376 1.00 25.00 C ATOM 383 C TYR A 27 3.973 -5.649 -3.202 1.00 25.00 C ATOM 384 O TYR A 27 3.527 -4.516 -3.335 1.00 25.00 O ATOM 385 CB TYR A 27 3.210 -7.390 -4.813 1.00 25.00 C ATOM 386 CG TYR A 27 2.427 -8.660 -5.078 1.00 25.00 C ATOM 387 CD1 TYR A 27 1.432 -8.696 -6.077 1.00 25.00 C ATOM 388 CD2 TYR A 27 2.674 -9.835 -4.334 1.00 25.00 C ATOM 389 CE1 TYR A 27 0.705 -9.887 -6.336 1.00 25.00 C ATOM 390 CE2 TYR A 27 1.938 -11.023 -4.585 1.00 25.00 C ATOM 391 CZ TYR A 27 0.962 -11.035 -5.583 1.00 25.00 C ATOM 392 OH TYR A 27 0.246 -12.180 -5.832 1.00 25.00 O ATOM 0 H TYR A 27 1.290 -5.774 -3.527 1.00 25.00 H new ATOM 0 HA TYR A 27 3.409 -7.633 -2.665 1.00 25.00 H new ATOM 0 HB2 TYR A 27 2.871 -6.614 -5.500 1.00 25.00 H new ATOM 0 HB3 TYR A 27 4.263 -7.570 -5.030 1.00 25.00 H new ATOM 0 HD1 TYR A 27 1.221 -7.806 -6.652 1.00 25.00 H new ATOM 0 HD2 TYR A 27 3.432 -9.830 -3.565 1.00 25.00 H new ATOM 0 HE1 TYR A 27 -0.045 -9.906 -7.113 1.00 25.00 H new ATOM 0 HE2 TYR A 27 2.132 -11.914 -4.006 1.00 25.00 H new ATOM 0 HH TYR A 27 0.543 -12.890 -5.226 1.00 25.00 H new ATOM 402 N PHE A 28 5.252 -5.886 -2.930 1.00 25.00 N ATOM 403 CA PHE A 28 6.232 -4.802 -2.781 1.00 25.00 C ATOM 404 C PHE A 28 7.121 -4.678 -4.009 1.00 25.00 C ATOM 405 O PHE A 28 7.616 -5.666 -4.549 1.00 25.00 O ATOM 406 CB PHE A 28 7.118 -5.047 -1.566 1.00 25.00 C ATOM 407 CG PHE A 28 6.793 -4.164 -0.399 1.00 25.00 C ATOM 408 CD1 PHE A 28 5.679 -4.438 0.414 1.00 25.00 C ATOM 409 CD2 PHE A 28 7.593 -3.041 -0.107 1.00 25.00 C ATOM 410 CE1 PHE A 28 5.367 -3.611 1.515 1.00 25.00 C ATOM 411 CE2 PHE A 28 7.285 -2.202 0.991 1.00 25.00 C ATOM 412 CZ PHE A 28 6.168 -2.489 1.803 1.00 25.00 C ATOM 0 H PHE A 28 5.641 -6.821 -2.807 1.00 25.00 H new ATOM 0 HA PHE A 28 5.668 -3.878 -2.655 1.00 25.00 H new ATOM 0 HB2 PHE A 28 7.022 -6.089 -1.261 1.00 25.00 H new ATOM 0 HB3 PHE A 28 8.159 -4.893 -1.849 1.00 25.00 H new ATOM 0 HD1 PHE A 28 5.055 -5.291 0.194 1.00 25.00 H new ATOM 0 HD2 PHE A 28 8.449 -2.818 -0.727 1.00 25.00 H new ATOM 0 HE1 PHE A 28 4.514 -3.839 2.137 1.00 25.00 H new ATOM 0 HE2 PHE A 28 7.904 -1.344 1.206 1.00 25.00 H new ATOM 0 HZ PHE A 28 5.928 -1.852 2.641 1.00 25.00 H new ATOM 422 N SER A 29 7.350 -3.442 -4.420 1.00 25.00 N ATOM 423 CA SER A 29 8.146 -3.143 -5.614 1.00 25.00 C ATOM 424 C SER A 29 9.667 -3.119 -5.340 1.00 25.00 C ATOM 425 O SER A 29 10.326 -2.077 -5.431 1.00 25.00 O ATOM 426 CB SER A 29 7.660 -1.814 -6.201 1.00 25.00 C ATOM 427 OG SER A 29 6.440 -1.424 -5.577 1.00 25.00 O ATOM 0 H SER A 29 6.993 -2.615 -3.942 1.00 25.00 H new ATOM 0 HA SER A 29 7.999 -3.947 -6.335 1.00 25.00 H new ATOM 0 HB2 SER A 29 8.416 -1.043 -6.053 1.00 25.00 H new ATOM 0 HB3 SER A 29 7.513 -1.914 -7.276 1.00 25.00 H new ATOM 0 HG SER A 29 5.684 -1.818 -6.061 1.00 25.00 H new ATOM 433 N ARG A 30 10.224 -4.272 -4.992 1.00 25.00 N ATOM 434 CA ARG A 30 11.668 -4.368 -4.725 1.00 25.00 C ATOM 435 C ARG A 30 12.442 -4.585 -6.037 1.00 25.00 C ATOM 436 O ARG A 30 11.917 -5.190 -6.973 1.00 25.00 O ATOM 437 CB ARG A 30 11.957 -5.482 -3.696 1.00 25.00 C ATOM 438 CG ARG A 30 11.584 -6.910 -4.118 1.00 25.00 C ATOM 439 CD ARG A 30 12.794 -7.696 -4.627 1.00 25.00 C ATOM 440 NE ARG A 30 12.596 -9.154 -4.501 1.00 25.00 N ATOM 441 CZ ARG A 30 12.044 -9.942 -5.418 1.00 25.00 C ATOM 442 NH1 ARG A 30 11.595 -9.487 -6.561 1.00 25.00 N ATOM 443 NH2 ARG A 30 11.938 -11.220 -5.172 1.00 25.00 N ATOM 0 H ARG A 30 9.712 -5.148 -4.887 1.00 25.00 H new ATOM 0 HA ARG A 30 12.011 -3.428 -4.292 1.00 25.00 H new ATOM 0 HB2 ARG A 30 13.021 -5.462 -3.459 1.00 25.00 H new ATOM 0 HB3 ARG A 30 11.421 -5.246 -2.776 1.00 25.00 H new ATOM 0 HG2 ARG A 30 11.143 -7.434 -3.270 1.00 25.00 H new ATOM 0 HG3 ARG A 30 10.824 -6.870 -4.899 1.00 25.00 H new ATOM 0 HD2 ARG A 30 12.978 -7.443 -5.671 1.00 25.00 H new ATOM 0 HD3 ARG A 30 13.681 -7.400 -4.067 1.00 25.00 H new ATOM 0 HE ARG A 30 12.910 -9.594 -3.636 1.00 25.00 H new ATOM 0 HH11 ARG A 30 11.662 -8.492 -6.776 1.00 25.00 H new ATOM 0 HH12 ARG A 30 11.178 -10.128 -7.237 1.00 25.00 H new ATOM 0 HH21 ARG A 30 12.276 -11.599 -4.287 1.00 25.00 H new ATOM 0 HH22 ARG A 30 11.517 -11.839 -5.864 1.00 25.00 H new ATOM 457 N PRO A 31 13.683 -4.064 -6.134 1.00 25.00 N ATOM 458 CA PRO A 31 14.429 -4.232 -7.389 1.00 25.00 C ATOM 459 C PRO A 31 14.954 -5.656 -7.586 1.00 25.00 C ATOM 460 O PRO A 31 15.045 -6.425 -6.635 1.00 25.00 O ATOM 461 CB PRO A 31 15.584 -3.239 -7.228 1.00 25.00 C ATOM 462 CG PRO A 31 15.845 -3.228 -5.772 1.00 25.00 C ATOM 463 CD PRO A 31 14.472 -3.303 -5.144 1.00 25.00 C ATOM 0 HA PRO A 31 13.806 -4.055 -8.266 1.00 25.00 H new ATOM 0 HB2 PRO A 31 16.463 -3.555 -7.789 1.00 25.00 H new ATOM 0 HB3 PRO A 31 15.313 -2.248 -7.593 1.00 25.00 H new ATOM 0 HG2 PRO A 31 16.465 -4.073 -5.473 1.00 25.00 H new ATOM 0 HG3 PRO A 31 16.372 -2.323 -5.469 1.00 25.00 H new ATOM 0 HD2 PRO A 31 14.499 -3.808 -4.178 1.00 25.00 H new ATOM 0 HD3 PRO A 31 14.053 -2.311 -4.974 1.00 25.00 H new ATOM 471 N ALA A 32 15.311 -5.991 -8.823 1.00 25.00 N ATOM 472 CA ALA A 32 15.837 -7.318 -9.161 1.00 25.00 C ATOM 473 C ALA A 32 17.204 -7.192 -9.860 1.00 25.00 C ATOM 474 O ALA A 32 17.641 -8.089 -10.570 1.00 25.00 O ATOM 475 CB ALA A 32 14.834 -8.055 -10.064 1.00 25.00 C ATOM 0 H ALA A 32 15.246 -5.356 -9.619 1.00 25.00 H new ATOM 0 HA ALA A 32 15.977 -7.891 -8.245 1.00 25.00 H new ATOM 0 HB1 ALA A 32 15.226 -9.041 -10.314 1.00 25.00 H new ATOM 0 HB2 ALA A 32 13.885 -8.164 -9.540 1.00 25.00 H new ATOM 0 HB3 ALA A 32 14.679 -7.483 -10.979 1.00 25.00 H new ATOM 481 N SER A 33 17.843 -6.048 -9.684 1.00 25.00 N ATOM 482 CA SER A 33 19.135 -5.772 -10.302 1.00 25.00 C ATOM 483 C SER A 33 20.255 -6.177 -9.348 1.00 25.00 C ATOM 484 O SER A 33 20.035 -6.280 -8.148 1.00 25.00 O ATOM 485 CB SER A 33 19.215 -4.276 -10.604 1.00 25.00 C ATOM 486 OG SER A 33 18.602 -3.532 -9.562 1.00 25.00 O ATOM 0 H SER A 33 17.485 -5.284 -9.111 1.00 25.00 H new ATOM 0 HA SER A 33 19.243 -6.341 -11.226 1.00 25.00 H new ATOM 0 HB2 SER A 33 20.257 -3.975 -10.712 1.00 25.00 H new ATOM 0 HB3 SER A 33 18.722 -4.062 -11.552 1.00 25.00 H new ATOM 0 HG SER A 33 19.294 -3.151 -8.981 1.00 25.00 H new ATOM 492 N ARG A 34 21.468 -6.351 -9.872 1.00 25.00 N ATOM 493 CA ARG A 34 22.635 -6.698 -9.033 1.00 25.00 C ATOM 494 C ARG A 34 22.952 -5.617 -8.005 1.00 25.00 C ATOM 495 O ARG A 34 23.578 -5.894 -6.995 1.00 25.00 O ATOM 496 CB ARG A 34 23.888 -6.926 -9.891 1.00 25.00 C ATOM 497 CG ARG A 34 24.108 -8.380 -10.301 1.00 25.00 C ATOM 498 CD ARG A 34 25.561 -8.591 -10.719 1.00 25.00 C ATOM 499 NE ARG A 34 25.851 -9.993 -11.070 1.00 25.00 N ATOM 500 CZ ARG A 34 27.058 -10.482 -11.345 1.00 25.00 C ATOM 501 NH1 ARG A 34 28.137 -9.737 -11.322 1.00 25.00 N ATOM 502 NH2 ARG A 34 27.183 -11.743 -11.651 1.00 25.00 N ATOM 0 H ARG A 34 21.677 -6.260 -10.866 1.00 25.00 H new ATOM 0 HA ARG A 34 22.364 -7.616 -8.511 1.00 25.00 H new ATOM 0 HB2 ARG A 34 23.816 -6.313 -10.790 1.00 25.00 H new ATOM 0 HB3 ARG A 34 24.761 -6.580 -9.338 1.00 25.00 H new ATOM 0 HG2 ARG A 34 23.860 -9.042 -9.471 1.00 25.00 H new ATOM 0 HG3 ARG A 34 23.443 -8.639 -11.125 1.00 25.00 H new ATOM 0 HD2 ARG A 34 25.786 -7.952 -11.573 1.00 25.00 H new ATOM 0 HD3 ARG A 34 26.218 -8.280 -9.907 1.00 25.00 H new ATOM 0 HE ARG A 34 25.064 -10.640 -11.105 1.00 25.00 H new ATOM 0 HH11 ARG A 34 28.068 -8.747 -11.087 1.00 25.00 H new ATOM 0 HH12 ARG A 34 29.045 -10.148 -11.539 1.00 25.00 H new ATOM 0 HH21 ARG A 34 26.360 -12.345 -11.678 1.00 25.00 H new ATOM 0 HH22 ARG A 34 28.104 -12.127 -11.863 1.00 25.00 H new ATOM 516 N VAL A 35 22.532 -4.391 -8.275 1.00 25.00 N ATOM 517 CA VAL A 35 22.745 -3.280 -7.354 1.00 25.00 C ATOM 518 C VAL A 35 21.396 -2.671 -6.992 1.00 25.00 C ATOM 519 O VAL A 35 20.491 -2.600 -7.826 1.00 25.00 O ATOM 520 CB VAL A 35 23.692 -2.197 -7.966 1.00 25.00 C ATOM 521 CG1 VAL A 35 25.107 -2.766 -8.136 1.00 25.00 C ATOM 522 CG2 VAL A 35 23.171 -1.687 -9.332 1.00 25.00 C ATOM 0 H VAL A 35 22.038 -4.137 -9.130 1.00 25.00 H new ATOM 0 HA VAL A 35 23.232 -3.659 -6.455 1.00 25.00 H new ATOM 0 HB VAL A 35 23.715 -1.354 -7.275 1.00 25.00 H new ATOM 0 HG11 VAL A 35 25.757 -2.003 -8.563 1.00 25.00 H new ATOM 0 HG12 VAL A 35 25.495 -3.072 -7.164 1.00 25.00 H new ATOM 0 HG13 VAL A 35 25.075 -3.629 -8.801 1.00 25.00 H new ATOM 0 HG21 VAL A 35 23.856 -0.936 -9.725 1.00 25.00 H new ATOM 0 HG22 VAL A 35 23.107 -2.521 -10.031 1.00 25.00 H new ATOM 0 HG23 VAL A 35 22.183 -1.245 -9.203 1.00 25.00 H new ATOM 532 N SER A 36 21.259 -2.246 -5.746 1.00 25.00 N ATOM 533 CA SER A 36 20.012 -1.673 -5.242 1.00 25.00 C ATOM 534 C SER A 36 20.218 -0.214 -4.873 1.00 25.00 C ATOM 535 O SER A 36 20.530 0.107 -3.738 1.00 25.00 O ATOM 536 CB SER A 36 19.536 -2.455 -4.017 1.00 25.00 C ATOM 537 OG SER A 36 19.312 -3.811 -4.361 1.00 25.00 O ATOM 0 H SER A 36 22.006 -2.287 -5.053 1.00 25.00 H new ATOM 0 HA SER A 36 19.255 -1.737 -6.024 1.00 25.00 H new ATOM 0 HB2 SER A 36 20.281 -2.391 -3.224 1.00 25.00 H new ATOM 0 HB3 SER A 36 18.618 -2.014 -3.629 1.00 25.00 H new ATOM 0 HG SER A 36 19.009 -4.304 -3.570 1.00 25.00 H new ATOM 543 N ARG A 37 20.085 0.672 -5.853 1.00 25.00 N ATOM 544 CA ARG A 37 20.299 2.108 -5.611 1.00 25.00 C ATOM 545 C ARG A 37 19.192 2.698 -4.737 1.00 25.00 C ATOM 546 O ARG A 37 19.464 3.469 -3.829 1.00 25.00 O ATOM 547 CB ARG A 37 20.388 2.868 -6.941 1.00 25.00 C ATOM 548 CG ARG A 37 21.609 2.477 -7.774 1.00 25.00 C ATOM 549 CD ARG A 37 21.691 3.312 -9.051 1.00 25.00 C ATOM 550 NE ARG A 37 22.850 2.937 -9.883 1.00 25.00 N ATOM 551 CZ ARG A 37 24.077 3.442 -9.777 1.00 25.00 C ATOM 552 NH1 ARG A 37 24.391 4.350 -8.888 1.00 25.00 N ATOM 553 NH2 ARG A 37 25.007 3.024 -10.590 1.00 25.00 N ATOM 0 H ARG A 37 19.834 0.434 -6.812 1.00 25.00 H new ATOM 0 HA ARG A 37 21.243 2.218 -5.077 1.00 25.00 H new ATOM 0 HB2 ARG A 37 19.484 2.680 -7.521 1.00 25.00 H new ATOM 0 HB3 ARG A 37 20.421 3.939 -6.739 1.00 25.00 H new ATOM 0 HG2 ARG A 37 22.515 2.617 -7.185 1.00 25.00 H new ATOM 0 HG3 ARG A 37 21.555 1.419 -8.030 1.00 25.00 H new ATOM 0 HD2 ARG A 37 20.775 3.184 -9.627 1.00 25.00 H new ATOM 0 HD3 ARG A 37 21.759 4.368 -8.790 1.00 25.00 H new ATOM 0 HE ARG A 37 22.698 2.229 -10.602 1.00 25.00 H new ATOM 0 HH11 ARG A 37 23.682 4.698 -8.242 1.00 25.00 H new ATOM 0 HH12 ARG A 37 25.344 4.710 -8.841 1.00 25.00 H new ATOM 0 HH21 ARG A 37 24.789 2.320 -11.295 1.00 25.00 H new ATOM 0 HH22 ARG A 37 25.952 3.402 -10.521 1.00 25.00 H new ATOM 567 N ARG A 38 17.950 2.317 -5.017 1.00 25.00 N ATOM 568 CA ARG A 38 16.786 2.731 -4.225 1.00 25.00 C ATOM 569 C ARG A 38 15.754 1.628 -4.358 1.00 25.00 C ATOM 570 O ARG A 38 15.755 0.900 -5.353 1.00 25.00 O ATOM 571 CB ARG A 38 16.147 4.036 -4.757 1.00 25.00 C ATOM 572 CG ARG A 38 16.975 5.304 -4.584 1.00 25.00 C ATOM 573 CD ARG A 38 16.143 6.544 -4.934 1.00 25.00 C ATOM 574 NE ARG A 38 16.952 7.777 -4.927 1.00 25.00 N ATOM 575 CZ ARG A 38 17.212 8.528 -3.862 1.00 25.00 C ATOM 576 NH1 ARG A 38 16.763 8.239 -2.665 1.00 25.00 N ATOM 577 NH2 ARG A 38 17.941 9.602 -4.005 1.00 25.00 N ATOM 0 H ARG A 38 17.716 1.710 -5.802 1.00 25.00 H new ATOM 0 HA ARG A 38 17.104 2.907 -3.197 1.00 25.00 H new ATOM 0 HB2 ARG A 38 15.934 3.907 -5.818 1.00 25.00 H new ATOM 0 HB3 ARG A 38 15.190 4.179 -4.255 1.00 25.00 H new ATOM 0 HG2 ARG A 38 17.330 5.376 -3.556 1.00 25.00 H new ATOM 0 HG3 ARG A 38 17.857 5.259 -5.223 1.00 25.00 H new ATOM 0 HD2 ARG A 38 15.693 6.412 -5.918 1.00 25.00 H new ATOM 0 HD3 ARG A 38 15.325 6.644 -4.221 1.00 25.00 H new ATOM 0 HE ARG A 38 17.346 8.080 -5.818 1.00 25.00 H new ATOM 0 HH11 ARG A 38 16.189 7.408 -2.523 1.00 25.00 H new ATOM 0 HH12 ARG A 38 16.988 8.845 -1.876 1.00 25.00 H new ATOM 0 HH21 ARG A 38 18.302 9.854 -4.925 1.00 25.00 H new ATOM 0 HH22 ARG A 38 18.149 10.188 -3.197 1.00 25.00 H new ATOM 591 N SER A 39 14.835 1.558 -3.412 1.00 25.00 N ATOM 592 CA SER A 39 13.631 0.755 -3.563 1.00 25.00 C ATOM 593 C SER A 39 12.677 1.685 -4.303 1.00 25.00 C ATOM 594 O SER A 39 12.855 2.898 -4.243 1.00 25.00 O ATOM 595 CB SER A 39 13.090 0.387 -2.189 1.00 25.00 C ATOM 596 OG SER A 39 13.523 1.347 -1.237 1.00 25.00 O ATOM 0 H SER A 39 14.899 2.052 -2.522 1.00 25.00 H new ATOM 0 HA SER A 39 13.788 -0.184 -4.094 1.00 25.00 H new ATOM 0 HB2 SER A 39 12.001 0.349 -2.213 1.00 25.00 H new ATOM 0 HB3 SER A 39 13.437 -0.606 -1.904 1.00 25.00 H new ATOM 0 HG SER A 39 13.459 0.966 -0.336 1.00 25.00 H new ATOM 602 N ARG A 40 11.713 1.146 -5.037 1.00 25.00 N ATOM 603 CA ARG A 40 10.857 1.978 -5.886 1.00 25.00 C ATOM 604 C ARG A 40 9.374 1.750 -5.643 1.00 25.00 C ATOM 605 O ARG A 40 8.994 0.937 -4.801 1.00 25.00 O ATOM 606 CB ARG A 40 11.194 1.714 -7.363 1.00 25.00 C ATOM 607 CG ARG A 40 10.870 0.301 -7.859 1.00 25.00 C ATOM 608 CD ARG A 40 10.231 0.348 -9.247 1.00 25.00 C ATOM 609 NE ARG A 40 11.131 0.942 -10.254 1.00 25.00 N ATOM 610 CZ ARG A 40 11.884 0.265 -11.115 1.00 25.00 C ATOM 611 NH1 ARG A 40 11.912 -1.047 -11.151 1.00 25.00 N ATOM 612 NH2 ARG A 40 12.623 0.924 -11.960 1.00 25.00 N ATOM 0 H ARG A 40 11.502 0.149 -5.065 1.00 25.00 H new ATOM 0 HA ARG A 40 11.058 3.018 -5.628 1.00 25.00 H new ATOM 0 HB2 ARG A 40 10.651 2.432 -7.978 1.00 25.00 H new ATOM 0 HB3 ARG A 40 12.257 1.902 -7.517 1.00 25.00 H new ATOM 0 HG2 ARG A 40 11.782 -0.296 -7.893 1.00 25.00 H new ATOM 0 HG3 ARG A 40 10.194 -0.189 -7.159 1.00 25.00 H new ATOM 0 HD2 ARG A 40 9.960 -0.662 -9.555 1.00 25.00 H new ATOM 0 HD3 ARG A 40 9.308 0.926 -9.201 1.00 25.00 H new ATOM 0 HE ARG A 40 11.180 1.960 -10.293 1.00 25.00 H new ATOM 0 HH11 ARG A 40 11.341 -1.587 -10.501 1.00 25.00 H new ATOM 0 HH12 ARG A 40 12.505 -1.526 -11.829 1.00 25.00 H new ATOM 0 HH21 ARG A 40 12.618 1.944 -11.954 1.00 25.00 H new ATOM 0 HH22 ARG A 40 13.207 0.420 -12.628 1.00 25.00 H new ATOM 626 N GLY A 41 8.545 2.437 -6.413 1.00 25.00 N ATOM 627 CA GLY A 41 7.113 2.193 -6.393 1.00 25.00 C ATOM 628 C GLY A 41 6.453 2.539 -5.079 1.00 25.00 C ATOM 629 O GLY A 41 6.370 3.707 -4.711 1.00 25.00 O ATOM 0 H GLY A 41 8.840 3.168 -7.060 1.00 25.00 H new ATOM 0 HA2 GLY A 41 6.644 2.773 -7.188 1.00 25.00 H new ATOM 0 HA3 GLY A 41 6.930 1.142 -6.615 1.00 25.00 H new ATOM 633 N ILE A 42 5.982 1.525 -4.368 1.00 25.00 N ATOM 634 CA ILE A 42 5.277 1.730 -3.105 1.00 25.00 C ATOM 635 C ILE A 42 6.162 2.419 -2.049 1.00 25.00 C ATOM 636 O ILE A 42 5.689 3.247 -1.274 1.00 25.00 O ATOM 637 CB ILE A 42 4.681 0.372 -2.593 1.00 25.00 C ATOM 638 CG1 ILE A 42 3.692 0.598 -1.438 1.00 25.00 C ATOM 639 CG2 ILE A 42 5.790 -0.611 -2.140 1.00 25.00 C ATOM 640 CD1 ILE A 42 2.409 1.309 -1.827 1.00 25.00 C ATOM 0 H ILE A 42 6.074 0.547 -4.643 1.00 25.00 H new ATOM 0 HA ILE A 42 4.448 2.414 -3.285 1.00 25.00 H new ATOM 0 HB ILE A 42 4.150 -0.072 -3.435 1.00 25.00 H new ATOM 0 HG12 ILE A 42 3.437 -0.368 -1.002 1.00 25.00 H new ATOM 0 HG13 ILE A 42 4.190 1.177 -0.660 1.00 25.00 H new ATOM 0 HG21 ILE A 42 5.335 -1.538 -1.793 1.00 25.00 H new ATOM 0 HG22 ILE A 42 6.452 -0.824 -2.979 1.00 25.00 H new ATOM 0 HG23 ILE A 42 6.364 -0.163 -1.329 1.00 25.00 H new ATOM 0 HD11 ILE A 42 1.775 1.423 -0.948 1.00 25.00 H new ATOM 0 HD12 ILE A 42 2.647 2.292 -2.233 1.00 25.00 H new ATOM 0 HD13 ILE A 42 1.882 0.723 -2.580 1.00 25.00 H new ATOM 652 N VAL A 43 7.458 2.137 -2.043 1.00 25.00 N ATOM 653 CA VAL A 43 8.358 2.795 -1.093 1.00 25.00 C ATOM 654 C VAL A 43 8.588 4.243 -1.511 1.00 25.00 C ATOM 655 O VAL A 43 8.637 5.150 -0.689 1.00 25.00 O ATOM 656 CB VAL A 43 9.721 2.061 -0.995 1.00 25.00 C ATOM 657 CG1 VAL A 43 10.607 2.710 0.079 1.00 25.00 C ATOM 658 CG2 VAL A 43 9.494 0.583 -0.650 1.00 25.00 C ATOM 0 H VAL A 43 7.908 1.471 -2.671 1.00 25.00 H new ATOM 0 HA VAL A 43 7.884 2.764 -0.112 1.00 25.00 H new ATOM 0 HB VAL A 43 10.225 2.136 -1.959 1.00 25.00 H new ATOM 0 HG11 VAL A 43 11.559 2.182 0.133 1.00 25.00 H new ATOM 0 HG12 VAL A 43 10.786 3.754 -0.179 1.00 25.00 H new ATOM 0 HG13 VAL A 43 10.106 2.656 1.046 1.00 25.00 H new ATOM 0 HG21 VAL A 43 10.455 0.073 -0.583 1.00 25.00 H new ATOM 0 HG22 VAL A 43 8.976 0.508 0.306 1.00 25.00 H new ATOM 0 HG23 VAL A 43 8.890 0.116 -1.428 1.00 25.00 H new ATOM 668 N GLU A 44 8.716 4.464 -2.806 1.00 25.00 N ATOM 669 CA GLU A 44 8.975 5.800 -3.321 1.00 25.00 C ATOM 670 C GLU A 44 7.821 6.733 -3.055 1.00 25.00 C ATOM 671 O GLU A 44 8.007 7.875 -2.654 1.00 25.00 O ATOM 672 CB GLU A 44 9.223 5.722 -4.813 1.00 25.00 C ATOM 673 CG GLU A 44 10.663 5.923 -5.156 1.00 25.00 C ATOM 674 CD GLU A 44 10.959 5.609 -6.626 1.00 25.00 C ATOM 675 OE1 GLU A 44 12.024 6.024 -7.123 1.00 25.00 O ATOM 676 OE2 GLU A 44 10.158 4.865 -7.257 1.00 25.00 O ATOM 0 H GLU A 44 8.646 3.740 -3.521 1.00 25.00 H new ATOM 0 HA GLU A 44 9.853 6.195 -2.809 1.00 25.00 H new ATOM 0 HB2 GLU A 44 8.895 4.751 -5.184 1.00 25.00 H new ATOM 0 HB3 GLU A 44 8.622 6.477 -5.320 1.00 25.00 H new ATOM 0 HG2 GLU A 44 10.945 6.954 -4.943 1.00 25.00 H new ATOM 0 HG3 GLU A 44 11.278 5.287 -4.520 1.00 25.00 H new ATOM 683 N GLU A 45 6.620 6.246 -3.292 1.00 25.00 N ATOM 684 CA GLU A 45 5.447 7.084 -3.157 1.00 25.00 C ATOM 685 C GLU A 45 5.029 7.323 -1.711 1.00 25.00 C ATOM 686 O GLU A 45 4.455 8.350 -1.437 1.00 25.00 O ATOM 687 CB GLU A 45 4.285 6.474 -3.941 1.00 25.00 C ATOM 688 CG GLU A 45 3.753 5.188 -3.334 1.00 25.00 C ATOM 689 CD GLU A 45 2.952 4.377 -4.294 1.00 25.00 C ATOM 690 OE1 GLU A 45 1.873 3.952 -4.042 1.00 25.00 O ATOM 691 OE2 GLU A 45 3.565 4.142 -5.408 1.00 25.00 O ATOM 0 H GLU A 45 6.432 5.285 -3.576 1.00 25.00 H new ATOM 0 HA GLU A 45 5.713 8.059 -3.564 1.00 25.00 H new ATOM 0 HB2 GLU A 45 3.475 7.201 -3.999 1.00 25.00 H new ATOM 0 HB3 GLU A 45 4.610 6.277 -4.962 1.00 25.00 H new ATOM 0 HG2 GLU A 45 4.590 4.590 -2.972 1.00 25.00 H new ATOM 0 HG3 GLU A 45 3.136 5.430 -2.468 1.00 25.00 H new ATOM 698 N CYS A 46 5.284 6.378 -0.804 1.00 25.00 N ATOM 699 CA CYS A 46 4.806 6.514 0.581 1.00 25.00 C ATOM 700 C CYS A 46 5.884 6.789 1.629 1.00 25.00 C ATOM 701 O CYS A 46 5.558 7.248 2.710 1.00 25.00 O ATOM 702 CB CYS A 46 4.050 5.256 1.013 1.00 25.00 C ATOM 703 SG CYS A 46 2.475 4.943 0.145 1.00 25.00 S ATOM 0 H CYS A 46 5.808 5.524 -0.994 1.00 25.00 H new ATOM 0 HA CYS A 46 4.164 7.394 0.549 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.702 4.395 0.867 1.00 25.00 H new ATOM 0 HB3 CYS A 46 3.847 5.325 2.082 1.00 25.00 H new ATOM 708 N CYS A 47 7.145 6.491 1.342 1.00 25.00 N ATOM 709 CA CYS A 47 8.217 6.722 2.319 1.00 25.00 C ATOM 710 C CYS A 47 9.105 7.883 1.881 1.00 25.00 C ATOM 711 O CYS A 47 9.389 8.780 2.666 1.00 25.00 O ATOM 712 CB CYS A 47 9.051 5.451 2.517 1.00 25.00 C ATOM 713 SG CYS A 47 10.321 5.599 3.821 1.00 25.00 S ATOM 0 H CYS A 47 7.454 6.094 0.455 1.00 25.00 H new ATOM 0 HA CYS A 47 7.758 6.983 3.273 1.00 25.00 H new ATOM 0 HB2 CYS A 47 8.384 4.625 2.764 1.00 25.00 H new ATOM 0 HB3 CYS A 47 9.538 5.197 1.576 1.00 25.00 H new ATOM 718 N PHE A 48 9.527 7.883 0.620 1.00 25.00 N ATOM 719 CA PHE A 48 10.340 8.990 0.107 1.00 25.00 C ATOM 720 C PHE A 48 9.461 10.222 -0.137 1.00 25.00 C ATOM 721 O PHE A 48 9.891 11.353 0.074 1.00 25.00 O ATOM 722 CB PHE A 48 11.069 8.589 -1.180 1.00 25.00 C ATOM 723 CG PHE A 48 12.233 7.655 -0.954 1.00 25.00 C ATOM 724 CD1 PHE A 48 12.112 6.268 -1.193 1.00 25.00 C ATOM 725 CD2 PHE A 48 13.466 8.161 -0.509 1.00 25.00 C ATOM 726 CE1 PHE A 48 13.215 5.402 -1.007 1.00 25.00 C ATOM 727 CE2 PHE A 48 14.572 7.300 -0.307 1.00 25.00 C ATOM 728 CZ PHE A 48 14.447 5.918 -0.559 1.00 25.00 C ATOM 0 H PHE A 48 9.327 7.147 -0.057 1.00 25.00 H new ATOM 0 HA PHE A 48 11.093 9.236 0.856 1.00 25.00 H new ATOM 0 HB2 PHE A 48 10.359 8.113 -1.856 1.00 25.00 H new ATOM 0 HB3 PHE A 48 11.429 9.489 -1.679 1.00 25.00 H new ATOM 0 HD1 PHE A 48 11.166 5.864 -1.522 1.00 25.00 H new ATOM 0 HD2 PHE A 48 13.571 9.219 -0.319 1.00 25.00 H new ATOM 0 HE1 PHE A 48 13.113 4.346 -1.208 1.00 25.00 H new ATOM 0 HE2 PHE A 48 15.512 7.702 0.040 1.00 25.00 H new ATOM 0 HZ PHE A 48 15.290 5.260 -0.410 1.00 25.00 H new ATOM 738 N ARG A 49 8.218 9.993 -0.543 1.00 25.00 N ATOM 739 CA ARG A 49 7.214 11.065 -0.656 1.00 25.00 C ATOM 740 C ARG A 49 5.951 10.642 0.080 1.00 25.00 C ATOM 741 O ARG A 49 5.912 9.573 0.654 1.00 25.00 O ATOM 742 CB ARG A 49 6.890 11.372 -2.120 1.00 25.00 C ATOM 743 CG ARG A 49 8.061 11.963 -2.873 1.00 25.00 C ATOM 744 CD ARG A 49 7.597 12.770 -4.079 1.00 25.00 C ATOM 745 NE ARG A 49 7.041 14.073 -3.667 1.00 25.00 N ATOM 746 CZ ARG A 49 6.486 14.966 -4.481 1.00 25.00 C ATOM 747 NH1 ARG A 49 6.365 14.762 -5.770 1.00 25.00 N ATOM 748 NH2 ARG A 49 6.043 16.088 -3.986 1.00 25.00 N ATOM 0 H ARG A 49 7.871 9.070 -0.803 1.00 25.00 H new ATOM 0 HA ARG A 49 7.620 11.973 -0.209 1.00 25.00 H new ATOM 0 HB2 ARG A 49 6.572 10.455 -2.616 1.00 25.00 H new ATOM 0 HB3 ARG A 49 6.050 12.066 -2.163 1.00 25.00 H new ATOM 0 HG2 ARG A 49 8.639 12.603 -2.206 1.00 25.00 H new ATOM 0 HG3 ARG A 49 8.725 11.163 -3.202 1.00 25.00 H new ATOM 0 HD2 ARG A 49 8.435 12.928 -4.759 1.00 25.00 H new ATOM 0 HD3 ARG A 49 6.842 12.207 -4.628 1.00 25.00 H new ATOM 0 HE ARG A 49 7.086 14.308 -2.676 1.00 25.00 H new ATOM 0 HH11 ARG A 49 6.703 13.893 -6.183 1.00 25.00 H new ATOM 0 HH12 ARG A 49 5.933 15.473 -6.360 1.00 25.00 H new ATOM 0 HH21 ARG A 49 6.124 16.272 -2.986 1.00 25.00 H new ATOM 0 HH22 ARG A 49 5.615 16.782 -4.599 1.00 25.00 H new ATOM 762 N SER A 50 4.940 11.497 0.050 1.00 25.00 N ATOM 763 CA SER A 50 3.629 11.200 0.641 1.00 25.00 C ATOM 764 C SER A 50 2.735 10.524 -0.401 1.00 25.00 C ATOM 765 O SER A 50 2.845 10.833 -1.593 1.00 25.00 O ATOM 766 CB SER A 50 2.951 12.497 1.077 1.00 25.00 C ATOM 767 OG SER A 50 3.818 13.279 1.883 1.00 25.00 O ATOM 0 H SER A 50 4.998 12.419 -0.383 1.00 25.00 H new ATOM 0 HA SER A 50 3.775 10.544 1.499 1.00 25.00 H new ATOM 0 HB2 SER A 50 2.652 13.068 0.198 1.00 25.00 H new ATOM 0 HB3 SER A 50 2.042 12.267 1.632 1.00 25.00 H new ATOM 0 HG SER A 50 3.316 14.022 2.278 1.00 25.00 H new ATOM 773 N CYS A 51 1.823 9.664 0.037 1.00 25.00 N ATOM 774 CA CYS A 51 0.913 8.961 -0.878 1.00 25.00 C ATOM 775 C CYS A 51 -0.545 9.073 -0.433 1.00 25.00 C ATOM 776 O CYS A 51 -0.839 9.488 0.683 1.00 25.00 O ATOM 777 CB CYS A 51 1.315 7.488 -0.999 1.00 25.00 C ATOM 778 SG CYS A 51 1.323 6.565 0.569 1.00 25.00 S ATOM 0 H CYS A 51 1.689 9.432 1.021 1.00 25.00 H new ATOM 0 HA CYS A 51 0.997 9.440 -1.853 1.00 25.00 H new ATOM 0 HB2 CYS A 51 0.631 6.995 -1.690 1.00 25.00 H new ATOM 0 HB3 CYS A 51 2.310 7.433 -1.441 1.00 25.00 H new ATOM 783 N ASP A 52 -1.453 8.710 -1.331 1.00 25.00 N ATOM 784 CA ASP A 52 -2.895 8.801 -1.080 1.00 25.00 C ATOM 785 C ASP A 52 -3.522 7.413 -1.117 1.00 25.00 C ATOM 786 O ASP A 52 -2.954 6.495 -1.695 1.00 25.00 O ATOM 787 CB ASP A 52 -3.549 9.688 -2.141 1.00 25.00 C ATOM 788 CG ASP A 52 -3.042 11.098 -2.095 1.00 25.00 C ATOM 789 OD1 ASP A 52 -2.530 11.648 -3.022 1.00 25.00 O ATOM 790 OD2 ASP A 52 -3.201 11.667 -0.957 1.00 25.00 O ATOM 0 H ASP A 52 -1.216 8.344 -2.253 1.00 25.00 H new ATOM 0 HA ASP A 52 -3.055 9.237 -0.094 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -3.360 9.268 -3.129 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -4.629 9.688 -1.996 1.00 25.00 H new ATOM 795 N LEU A 53 -4.705 7.277 -0.529 1.00 25.00 N ATOM 796 CA LEU A 53 -5.395 5.982 -0.433 1.00 25.00 C ATOM 797 C LEU A 53 -5.645 5.303 -1.782 1.00 25.00 C ATOM 798 O LEU A 53 -5.346 4.131 -1.942 1.00 25.00 O ATOM 799 CB LEU A 53 -6.740 6.189 0.279 1.00 25.00 C ATOM 800 CG LEU A 53 -7.614 4.941 0.497 1.00 25.00 C ATOM 801 CD1 LEU A 53 -6.927 3.935 1.404 1.00 25.00 C ATOM 802 CD2 LEU A 53 -8.950 5.358 1.107 1.00 25.00 C ATOM 0 H LEU A 53 -5.216 8.052 -0.106 1.00 25.00 H new ATOM 0 HA LEU A 53 -4.735 5.319 0.127 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -6.543 6.639 1.252 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -7.319 6.912 -0.295 1.00 25.00 H new ATOM 0 HG LEU A 53 -7.778 4.464 -0.469 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -7.571 3.066 1.537 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -5.985 3.623 0.953 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -6.731 4.393 2.373 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -9.570 4.475 1.262 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -8.775 5.851 2.063 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -9.459 6.045 0.432 1.00 25.00 H new ATOM 814 N ALA A 54 -6.179 6.044 -2.744 1.00 25.00 N ATOM 815 CA ALA A 54 -6.491 5.475 -4.059 1.00 25.00 C ATOM 816 C ALA A 54 -5.235 4.958 -4.756 1.00 25.00 C ATOM 817 O ALA A 54 -5.257 3.926 -5.404 1.00 25.00 O ATOM 818 CB ALA A 54 -7.187 6.531 -4.930 1.00 25.00 C ATOM 0 H ALA A 54 -6.406 7.034 -2.645 1.00 25.00 H new ATOM 0 HA ALA A 54 -7.161 4.627 -3.913 1.00 25.00 H new ATOM 0 HB1 ALA A 54 -7.417 6.104 -5.906 1.00 25.00 H new ATOM 0 HB2 ALA A 54 -8.111 6.850 -4.447 1.00 25.00 H new ATOM 0 HB3 ALA A 54 -6.528 7.390 -5.056 1.00 25.00 H new ATOM 824 N LEU A 55 -4.135 5.677 -4.593 1.00 25.00 N ATOM 825 CA LEU A 55 -2.863 5.268 -5.170 1.00 25.00 C ATOM 826 C LEU A 55 -2.360 3.998 -4.483 1.00 25.00 C ATOM 827 O LEU A 55 -1.966 3.045 -5.140 1.00 25.00 O ATOM 828 CB LEU A 55 -1.852 6.410 -5.007 1.00 25.00 C ATOM 829 CG LEU A 55 -0.364 6.051 -5.077 1.00 25.00 C ATOM 830 CD1 LEU A 55 0.033 5.388 -6.390 1.00 25.00 C ATOM 831 CD2 LEU A 55 0.451 7.312 -4.859 1.00 25.00 C ATOM 0 H LEU A 55 -4.097 6.549 -4.065 1.00 25.00 H new ATOM 0 HA LEU A 55 -2.990 5.051 -6.231 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -2.056 7.153 -5.778 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -2.038 6.889 -4.046 1.00 25.00 H new ATOM 0 HG LEU A 55 -0.163 5.318 -4.295 1.00 25.00 H new ATOM 0 HD11 LEU A 55 1.099 5.160 -6.375 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.534 4.466 -6.518 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -0.181 6.064 -7.218 1.00 25.00 H new ATOM 0 HD21 LEU A 55 1.513 7.071 -4.906 1.00 25.00 H new ATOM 0 HD22 LEU A 55 0.209 8.040 -5.633 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.217 7.732 -3.881 1.00 25.00 H new ATOM 843 N LEU A 56 -2.395 3.978 -3.163 1.00 25.00 N ATOM 844 CA LEU A 56 -1.879 2.840 -2.405 1.00 25.00 C ATOM 845 C LEU A 56 -2.648 1.561 -2.760 1.00 25.00 C ATOM 846 O LEU A 56 -2.073 0.479 -2.876 1.00 25.00 O ATOM 847 CB LEU A 56 -1.964 3.157 -0.905 1.00 25.00 C ATOM 848 CG LEU A 56 -1.047 2.337 0.008 1.00 25.00 C ATOM 849 CD1 LEU A 56 -0.690 3.154 1.239 1.00 25.00 C ATOM 850 CD2 LEU A 56 -1.685 1.029 0.449 1.00 25.00 C ATOM 0 H LEU A 56 -2.773 4.732 -2.590 1.00 25.00 H new ATOM 0 HA LEU A 56 -0.835 2.666 -2.665 1.00 25.00 H new ATOM 0 HB2 LEU A 56 -1.734 4.213 -0.764 1.00 25.00 H new ATOM 0 HB3 LEU A 56 -2.994 3.009 -0.580 1.00 25.00 H new ATOM 0 HG LEU A 56 -0.153 2.094 -0.567 1.00 25.00 H new ATOM 0 HD11 LEU A 56 -0.038 2.569 1.887 1.00 25.00 H new ATOM 0 HD12 LEU A 56 -0.176 4.066 0.934 1.00 25.00 H new ATOM 0 HD13 LEU A 56 -1.600 3.414 1.780 1.00 25.00 H new ATOM 0 HD21 LEU A 56 -0.994 0.486 1.094 1.00 25.00 H new ATOM 0 HD22 LEU A 56 -2.604 1.239 0.997 1.00 25.00 H new ATOM 0 HD23 LEU A 56 -1.915 0.423 -0.427 1.00 25.00 H new ATOM 862 N GLU A 57 -3.939 1.720 -3.014 1.00 25.00 N ATOM 863 CA GLU A 57 -4.821 0.614 -3.395 1.00 25.00 C ATOM 864 C GLU A 57 -4.407 -0.093 -4.695 1.00 25.00 C ATOM 865 O GLU A 57 -4.765 -1.241 -4.927 1.00 25.00 O ATOM 866 CB GLU A 57 -6.242 1.170 -3.541 1.00 25.00 C ATOM 867 CG GLU A 57 -7.335 0.120 -3.572 1.00 25.00 C ATOM 868 CD GLU A 57 -8.707 0.718 -3.458 1.00 25.00 C ATOM 869 OE1 GLU A 57 -9.059 1.710 -4.037 1.00 25.00 O ATOM 870 OE2 GLU A 57 -9.480 0.086 -2.649 1.00 25.00 O ATOM 0 H GLU A 57 -4.411 2.623 -2.963 1.00 25.00 H new ATOM 0 HA GLU A 57 -4.757 -0.142 -2.612 1.00 25.00 H new ATOM 0 HB2 GLU A 57 -6.437 1.853 -2.714 1.00 25.00 H new ATOM 0 HB3 GLU A 57 -6.295 1.757 -4.458 1.00 25.00 H new ATOM 0 HG2 GLU A 57 -7.265 -0.446 -4.501 1.00 25.00 H new ATOM 0 HG3 GLU A 57 -7.180 -0.586 -2.756 1.00 25.00 H new ATOM 878 N THR A 58 -3.644 0.575 -5.545 1.00 25.00 N ATOM 879 CA THR A 58 -3.232 -0.018 -6.818 1.00 25.00 C ATOM 880 C THR A 58 -2.157 -1.094 -6.645 1.00 25.00 C ATOM 881 O THR A 58 -1.889 -1.860 -7.564 1.00 25.00 O ATOM 882 CB THR A 58 -2.739 1.054 -7.814 1.00 25.00 C ATOM 883 OG1 THR A 58 -1.521 1.641 -7.350 1.00 25.00 O ATOM 884 CG2 THR A 58 -3.786 2.155 -7.966 1.00 25.00 C ATOM 0 H THR A 58 -3.297 1.521 -5.384 1.00 25.00 H new ATOM 0 HA THR A 58 -4.123 -0.496 -7.225 1.00 25.00 H new ATOM 0 HB THR A 58 -2.570 0.570 -8.776 1.00 25.00 H new ATOM 0 HG1 THR A 58 -1.633 1.936 -6.422 1.00 25.00 H new ATOM 0 HG21 THR A 58 -3.426 2.905 -8.671 1.00 25.00 H new ATOM 0 HG22 THR A 58 -4.716 1.724 -8.338 1.00 25.00 H new ATOM 0 HG23 THR A 58 -3.965 2.623 -6.998 1.00 25.00 H new ATOM 892 N TYR A 59 -1.539 -1.149 -5.471 1.00 25.00 N ATOM 893 CA TYR A 59 -0.500 -2.145 -5.189 1.00 25.00 C ATOM 894 C TYR A 59 -1.066 -3.407 -4.541 1.00 25.00 C ATOM 895 O TYR A 59 -0.314 -4.326 -4.179 1.00 25.00 O ATOM 896 CB TYR A 59 0.596 -1.529 -4.318 1.00 25.00 C ATOM 897 CG TYR A 59 1.492 -0.622 -5.126 1.00 25.00 C ATOM 898 CD1 TYR A 59 2.643 -1.137 -5.757 1.00 25.00 C ATOM 899 CD2 TYR A 59 1.179 0.741 -5.306 1.00 25.00 C ATOM 900 CE1 TYR A 59 3.464 -0.304 -6.564 1.00 25.00 C ATOM 901 CE2 TYR A 59 1.996 1.571 -6.113 1.00 25.00 C ATOM 902 CZ TYR A 59 3.128 1.042 -6.732 1.00 25.00 C ATOM 903 OH TYR A 59 3.922 1.834 -7.522 1.00 25.00 O ATOM 0 H TYR A 59 -1.736 -0.517 -4.695 1.00 25.00 H new ATOM 0 HA TYR A 59 -0.069 -2.449 -6.143 1.00 25.00 H new ATOM 0 HB2 TYR A 59 0.142 -0.964 -3.504 1.00 25.00 H new ATOM 0 HB3 TYR A 59 1.191 -2.321 -3.864 1.00 25.00 H new ATOM 0 HD1 TYR A 59 2.904 -2.177 -5.625 1.00 25.00 H new ATOM 0 HD2 TYR A 59 0.307 1.157 -4.823 1.00 25.00 H new ATOM 0 HE1 TYR A 59 4.342 -0.709 -7.045 1.00 25.00 H new ATOM 0 HE2 TYR A 59 1.742 2.612 -6.249 1.00 25.00 H new ATOM 0 HH TYR A 59 4.022 2.716 -7.106 1.00 25.00 H new ATOM 913 N CYS A 60 -2.386 -3.479 -4.448 1.00 25.00 N ATOM 914 CA CYS A 60 -3.042 -4.696 -3.995 1.00 25.00 C ATOM 915 C CYS A 60 -2.894 -5.738 -5.106 1.00 25.00 C ATOM 916 O CYS A 60 -2.726 -5.396 -6.277 1.00 25.00 O ATOM 917 CB CYS A 60 -4.516 -4.439 -3.685 1.00 25.00 C ATOM 918 SG CYS A 60 -4.789 -3.162 -2.410 1.00 25.00 S ATOM 0 H CYS A 60 -3.020 -2.714 -4.679 1.00 25.00 H new ATOM 0 HA CYS A 60 -2.582 -5.053 -3.074 1.00 25.00 H new ATOM 0 HB2 CYS A 60 -5.023 -4.138 -4.602 1.00 25.00 H new ATOM 0 HB3 CYS A 60 -4.976 -5.371 -3.357 1.00 25.00 H new ATOM 923 N ALA A 61 -2.910 -7.006 -4.736 1.00 25.00 N ATOM 924 CA ALA A 61 -2.705 -8.081 -5.691 1.00 25.00 C ATOM 925 C ALA A 61 -3.917 -8.209 -6.621 1.00 25.00 C ATOM 926 O ALA A 61 -5.053 -7.923 -6.238 1.00 25.00 O ATOM 927 CB ALA A 61 -2.452 -9.388 -4.947 1.00 25.00 C ATOM 0 H ALA A 61 -3.063 -7.318 -3.777 1.00 25.00 H new ATOM 0 HA ALA A 61 -1.833 -7.853 -6.304 1.00 25.00 H new ATOM 0 HB1 ALA A 61 -2.299 -10.192 -5.666 1.00 25.00 H new ATOM 0 HB2 ALA A 61 -1.564 -9.285 -4.323 1.00 25.00 H new ATOM 0 HB3 ALA A 61 -3.312 -9.622 -4.319 1.00 25.00 H new ATOM 933 N THR A 62 -3.661 -8.654 -7.842 1.00 25.00 N ATOM 934 CA THR A 62 -4.700 -8.818 -8.842 1.00 25.00 C ATOM 935 C THR A 62 -4.854 -10.309 -9.141 1.00 25.00 C ATOM 936 O THR A 62 -3.886 -11.071 -9.050 1.00 25.00 O ATOM 937 CB THR A 62 -4.329 -8.061 -10.138 1.00 25.00 C ATOM 938 OG1 THR A 62 -3.027 -8.462 -10.567 1.00 25.00 O ATOM 939 CG2 THR A 62 -4.303 -6.555 -9.902 1.00 25.00 C ATOM 0 H THR A 62 -2.728 -8.911 -8.165 1.00 25.00 H new ATOM 0 HA THR A 62 -5.637 -8.409 -8.464 1.00 25.00 H new ATOM 0 HB THR A 62 -5.079 -8.298 -10.893 1.00 25.00 H new ATOM 0 HG1 THR A 62 -2.792 -7.984 -11.389 1.00 25.00 H new ATOM 0 HG21 THR A 62 -4.039 -6.046 -10.829 1.00 25.00 H new ATOM 0 HG22 THR A 62 -5.287 -6.221 -9.572 1.00 25.00 H new ATOM 0 HG23 THR A 62 -3.564 -6.319 -9.136 1.00 25.00 H new ATOM 947 N PRO A 63 -6.079 -10.756 -9.463 1.00 25.00 N ATOM 948 CA PRO A 63 -6.274 -12.185 -9.726 1.00 25.00 C ATOM 949 C PRO A 63 -5.722 -12.629 -11.072 1.00 25.00 C ATOM 950 O PRO A 63 -5.562 -11.832 -11.997 1.00 25.00 O ATOM 951 CB PRO A 63 -7.794 -12.332 -9.691 1.00 25.00 C ATOM 952 CG PRO A 63 -8.292 -11.018 -10.174 1.00 25.00 C ATOM 953 CD PRO A 63 -7.345 -10.009 -9.579 1.00 25.00 C ATOM 0 HA PRO A 63 -5.745 -12.806 -9.003 1.00 25.00 H new ATOM 0 HB2 PRO A 63 -8.131 -13.147 -10.332 1.00 25.00 H new ATOM 0 HB3 PRO A 63 -8.151 -12.549 -8.684 1.00 25.00 H new ATOM 0 HG2 PRO A 63 -8.290 -10.969 -11.263 1.00 25.00 H new ATOM 0 HG3 PRO A 63 -9.317 -10.839 -9.849 1.00 25.00 H new ATOM 0 HD2 PRO A 63 -7.238 -9.133 -10.218 1.00 25.00 H new ATOM 0 HD3 PRO A 63 -7.693 -9.655 -8.609 1.00 25.00 H new ATOM 961 N ALA A 64 -5.477 -13.926 -11.186 1.00 25.00 N ATOM 962 CA ALA A 64 -4.981 -14.520 -12.420 1.00 25.00 C ATOM 963 C ALA A 64 -6.068 -15.420 -13.003 1.00 25.00 C ATOM 964 O ALA A 64 -6.983 -15.837 -12.297 1.00 25.00 O ATOM 965 CB ALA A 64 -3.700 -15.323 -12.134 1.00 25.00 C ATOM 0 H ALA A 64 -5.616 -14.595 -10.429 1.00 25.00 H new ATOM 0 HA ALA A 64 -4.737 -13.740 -13.142 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -3.333 -15.765 -13.060 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -2.939 -14.660 -11.722 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -3.919 -16.114 -11.416 1.00 25.00 H new ATOM 971 N LYS A 65 -5.951 -15.727 -14.286 1.00 25.00 N ATOM 972 CA LYS A 65 -6.891 -16.632 -14.945 1.00 25.00 C ATOM 973 C LYS A 65 -6.461 -18.058 -14.634 1.00 25.00 C ATOM 974 O LYS A 65 -5.278 -18.312 -14.423 1.00 25.00 O ATOM 975 CB LYS A 65 -6.878 -16.410 -16.461 1.00 25.00 C ATOM 976 CG LYS A 65 -7.332 -15.006 -16.878 1.00 25.00 C ATOM 977 CD LYS A 65 -7.462 -14.861 -18.404 1.00 25.00 C ATOM 978 CE LYS A 65 -6.100 -14.919 -19.105 1.00 25.00 C ATOM 979 NZ LYS A 65 -6.223 -14.656 -20.584 1.00 25.00 N ATOM 0 H LYS A 65 -5.216 -15.365 -14.894 1.00 25.00 H new ATOM 0 HA LYS A 65 -7.902 -16.445 -14.583 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -5.870 -16.584 -16.837 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -7.526 -17.148 -16.934 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -8.292 -14.784 -16.412 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -6.619 -14.271 -16.505 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -8.102 -15.654 -18.790 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -7.950 -13.915 -18.638 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -5.430 -14.184 -18.659 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -5.650 -15.899 -18.946 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -5.282 -14.703 -21.024 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -6.843 -15.372 -21.014 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -6.629 -13.711 -20.736 1.00 25.00 H new ATOM 993 N SER A 66 -7.402 -18.986 -14.651 1.00 25.00 N ATOM 994 CA SER A 66 -7.116 -20.392 -14.429 1.00 25.00 C ATOM 995 C SER A 66 -8.023 -21.153 -15.379 1.00 25.00 C ATOM 996 O SER A 66 -9.050 -20.635 -15.816 1.00 25.00 O ATOM 997 CB SER A 66 -7.391 -20.774 -12.974 1.00 25.00 C ATOM 998 OG SER A 66 -8.738 -20.494 -12.629 1.00 25.00 O ATOM 0 H SER A 66 -8.388 -18.785 -14.819 1.00 25.00 H new ATOM 0 HA SER A 66 -6.068 -20.626 -14.615 1.00 25.00 H new ATOM 0 HB2 SER A 66 -7.185 -21.834 -12.826 1.00 25.00 H new ATOM 0 HB3 SER A 66 -6.719 -20.224 -12.315 1.00 25.00 H new ATOM 0 HG SER A 66 -8.896 -20.746 -11.695 1.00 25.00 H new ATOM 1004 N GLU A 67 -7.593 -22.366 -15.740 1.00 25.00 N ATOM 1005 CA GLU A 67 -8.285 -23.231 -16.717 1.00 25.00 C ATOM 1006 C GLU A 67 -8.607 -22.459 -18.025 1.00 25.00 C ATOM 1007 O GLU A 67 -9.846 -22.473 -18.418 1.00 25.00 O ATOM 1008 CB GLU A 67 -9.504 -23.963 -16.068 1.00 25.00 C ATOM 1009 CG GLU A 67 -9.063 -24.867 -14.898 1.00 25.00 C ATOM 1010 CD GLU A 67 -8.059 -25.900 -15.352 1.00 25.00 C ATOM 1011 OE1 GLU A 67 -6.916 -25.951 -14.968 1.00 25.00 O ATOM 1012 OE2 GLU A 67 -8.510 -26.716 -16.242 1.00 25.00 O ATOM 0 H GLU A 67 -6.744 -22.786 -15.360 1.00 25.00 H new ATOM 0 HA GLU A 67 -7.610 -24.031 -17.022 1.00 25.00 H new ATOM 0 HB2 GLU A 67 -10.223 -23.227 -15.709 1.00 25.00 H new ATOM 0 HB3 GLU A 67 -10.012 -24.564 -16.822 1.00 25.00 H new ATOM 0 HG2 GLU A 67 -8.627 -24.256 -14.108 1.00 25.00 H new ATOM 0 HG3 GLU A 67 -9.934 -25.365 -14.472 1.00 25.00 H new TER 1019 GLU A 67