USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 156:sc= 0.471 USER MOD Single : A 16 THR OG1 : rot 74:sc= 0.861 USER MOD Single : A 18 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.26) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 137:sc= 0.967 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.1 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00227 USER MOD Single : A 58 THR OG1 : rot -75:sc= 1.3 USER MOD Single : A 59 TYR OH : rot -163:sc= 0.863 USER MOD Single : A 62 THR OG1 : rot 43:sc= 0.0929 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 112:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.359 12.097 23.513 1.00 25.00 N ATOM 2 CA ALA A 1 9.861 12.603 22.212 1.00 25.00 C ATOM 3 C ALA A 1 10.782 12.327 21.016 1.00 25.00 C ATOM 4 O ALA A 1 11.766 12.988 20.751 1.00 25.00 O ATOM 5 CB ALA A 1 9.604 14.108 22.357 1.00 25.00 C ATOM 0 H1 ALA A 1 9.674 12.328 24.261 1.00 25.00 H new ATOM 0 H2 ALA A 1 10.480 11.065 23.461 1.00 25.00 H new ATOM 0 H3 ALA A 1 11.273 12.542 23.732 1.00 25.00 H new ATOM 0 HA ALA A 1 8.947 12.056 21.982 1.00 25.00 H new ATOM 0 HB1 ALA A 1 9.236 14.507 21.412 1.00 25.00 H new ATOM 0 HB2 ALA A 1 8.861 14.277 23.136 1.00 25.00 H new ATOM 0 HB3 ALA A 1 10.533 14.611 22.626 1.00 25.00 H new ATOM 10 N TYR A 2 10.442 11.275 20.262 1.00 25.00 N ATOM 11 CA TYR A 2 11.217 10.933 19.074 1.00 25.00 C ATOM 12 C TYR A 2 10.814 11.861 17.925 1.00 25.00 C ATOM 13 O TYR A 2 9.754 12.484 17.954 1.00 25.00 O ATOM 14 CB TYR A 2 11.016 9.464 18.684 1.00 25.00 C ATOM 15 CG TYR A 2 11.992 9.019 17.611 1.00 25.00 C ATOM 16 CD1 TYR A 2 13.368 8.895 17.895 1.00 25.00 C ATOM 17 CD2 TYR A 2 11.552 8.754 16.298 1.00 25.00 C ATOM 18 CE1 TYR A 2 14.292 8.526 16.877 1.00 25.00 C ATOM 19 CE2 TYR A 2 12.471 8.385 15.282 1.00 25.00 C ATOM 20 CZ TYR A 2 13.832 8.279 15.582 1.00 25.00 C ATOM 21 OH TYR A 2 14.725 7.935 14.602 1.00 25.00 O ATOM 0 H TYR A 2 9.651 10.660 20.451 1.00 25.00 H new ATOM 0 HA TYR A 2 12.276 11.068 19.292 1.00 25.00 H new ATOM 0 HB2 TYR A 2 11.137 8.835 19.566 1.00 25.00 H new ATOM 0 HB3 TYR A 2 9.996 9.320 18.328 1.00 25.00 H new ATOM 0 HD1 TYR A 2 13.725 9.082 18.897 1.00 25.00 H new ATOM 0 HD2 TYR A 2 10.501 8.833 16.062 1.00 25.00 H new ATOM 0 HE1 TYR A 2 15.344 8.438 17.105 1.00 25.00 H new ATOM 0 HE2 TYR A 2 12.120 8.187 14.280 1.00 25.00 H new ATOM 0 HH TYR A 2 14.247 7.795 13.758 1.00 25.00 H new ATOM 31 N ARG A 3 11.675 11.961 16.922 1.00 25.00 N ATOM 32 CA ARG A 3 11.437 12.833 15.774 1.00 25.00 C ATOM 33 C ARG A 3 10.230 12.327 14.971 1.00 25.00 C ATOM 34 O ARG A 3 10.005 11.119 14.882 1.00 25.00 O ATOM 35 CB ARG A 3 12.683 12.868 14.885 1.00 25.00 C ATOM 36 CG ARG A 3 13.980 13.064 15.672 1.00 25.00 C ATOM 37 CD ARG A 3 15.177 13.289 14.758 1.00 25.00 C ATOM 38 NE ARG A 3 16.447 13.196 15.506 1.00 25.00 N ATOM 39 CZ ARG A 3 17.001 14.173 16.219 1.00 25.00 C ATOM 40 NH1 ARG A 3 16.456 15.359 16.336 1.00 25.00 N ATOM 41 NH2 ARG A 3 18.126 13.943 16.835 1.00 25.00 N ATOM 0 H ARG A 3 12.554 11.445 16.878 1.00 25.00 H new ATOM 0 HA ARG A 3 11.224 13.841 16.129 1.00 25.00 H new ATOM 0 HB2 ARG A 3 12.745 11.937 14.321 1.00 25.00 H new ATOM 0 HB3 ARG A 3 12.581 13.675 14.159 1.00 25.00 H new ATOM 0 HG2 ARG A 3 13.871 13.917 16.342 1.00 25.00 H new ATOM 0 HG3 ARG A 3 14.161 12.189 16.296 1.00 25.00 H new ATOM 0 HD2 ARG A 3 15.169 12.550 13.956 1.00 25.00 H new ATOM 0 HD3 ARG A 3 15.100 14.270 14.288 1.00 25.00 H new ATOM 0 HE ARG A 3 16.943 12.305 15.473 1.00 25.00 H new ATOM 0 HH11 ARG A 3 15.572 15.562 15.870 1.00 25.00 H new ATOM 0 HH12 ARG A 3 16.916 16.079 16.893 1.00 25.00 H new ATOM 0 HH21 ARG A 3 18.567 13.026 16.766 1.00 25.00 H new ATOM 0 HH22 ARG A 3 18.566 14.680 17.386 1.00 25.00 H new ATOM 55 N PRO A 4 9.442 13.241 14.382 1.00 25.00 N ATOM 56 CA PRO A 4 8.260 12.772 13.652 1.00 25.00 C ATOM 57 C PRO A 4 8.604 12.137 12.307 1.00 25.00 C ATOM 58 O PRO A 4 9.683 12.349 11.760 1.00 25.00 O ATOM 59 CB PRO A 4 7.451 14.058 13.462 1.00 25.00 C ATOM 60 CG PRO A 4 8.479 15.115 13.359 1.00 25.00 C ATOM 61 CD PRO A 4 9.544 14.712 14.352 1.00 25.00 C ATOM 0 HA PRO A 4 7.728 11.986 14.188 1.00 25.00 H new ATOM 0 HB2 PRO A 4 6.834 14.012 12.565 1.00 25.00 H new ATOM 0 HB3 PRO A 4 6.779 14.235 14.302 1.00 25.00 H new ATOM 0 HG2 PRO A 4 8.883 15.177 12.349 1.00 25.00 H new ATOM 0 HG3 PRO A 4 8.065 16.095 13.598 1.00 25.00 H new ATOM 0 HD2 PRO A 4 10.534 15.040 14.035 1.00 25.00 H new ATOM 0 HD3 PRO A 4 9.363 15.148 15.335 1.00 25.00 H new ATOM 69 N SER A 5 7.662 11.374 11.772 1.00 25.00 N ATOM 70 CA SER A 5 7.806 10.719 10.474 1.00 25.00 C ATOM 71 C SER A 5 6.526 10.967 9.691 1.00 25.00 C ATOM 72 O SER A 5 5.547 10.258 9.843 1.00 25.00 O ATOM 73 CB SER A 5 8.039 9.218 10.653 1.00 25.00 C ATOM 74 OG SER A 5 9.242 8.990 11.372 1.00 25.00 O ATOM 0 H SER A 5 6.768 11.189 12.228 1.00 25.00 H new ATOM 0 HA SER A 5 8.665 11.123 9.939 1.00 25.00 H new ATOM 0 HB2 SER A 5 7.199 8.773 11.186 1.00 25.00 H new ATOM 0 HB3 SER A 5 8.092 8.732 9.679 1.00 25.00 H new ATOM 0 HG SER A 5 9.380 8.026 11.482 1.00 25.00 H new ATOM 80 N GLU A 6 6.521 12.040 8.914 1.00 25.00 N ATOM 81 CA GLU A 6 5.322 12.468 8.183 1.00 25.00 C ATOM 82 C GLU A 6 5.017 11.641 6.934 1.00 25.00 C ATOM 83 O GLU A 6 3.992 11.836 6.286 1.00 25.00 O ATOM 84 CB GLU A 6 5.463 13.935 7.783 1.00 25.00 C ATOM 85 CG GLU A 6 6.458 14.206 6.660 1.00 25.00 C ATOM 86 CD GLU A 6 6.610 15.672 6.376 1.00 25.00 C ATOM 87 OE1 GLU A 6 7.361 16.383 6.975 1.00 25.00 O ATOM 88 OE2 GLU A 6 5.836 16.096 5.427 1.00 25.00 O ATOM 0 H GLU A 6 7.335 12.637 8.769 1.00 25.00 H new ATOM 0 HA GLU A 6 4.487 12.317 8.867 1.00 25.00 H new ATOM 0 HB2 GLU A 6 4.485 14.308 7.479 1.00 25.00 H new ATOM 0 HB3 GLU A 6 5.764 14.507 8.660 1.00 25.00 H new ATOM 0 HG2 GLU A 6 7.428 13.788 6.928 1.00 25.00 H new ATOM 0 HG3 GLU A 6 6.129 13.695 5.755 1.00 25.00 H new ATOM 96 N THR A 7 5.921 10.741 6.588 1.00 25.00 N ATOM 97 CA THR A 7 5.729 9.845 5.448 1.00 25.00 C ATOM 98 C THR A 7 5.498 8.436 5.977 1.00 25.00 C ATOM 99 O THR A 7 5.878 8.108 7.103 1.00 25.00 O ATOM 100 CB THR A 7 6.934 9.856 4.487 1.00 25.00 C ATOM 101 OG1 THR A 7 8.130 9.558 5.209 1.00 25.00 O ATOM 102 CG2 THR A 7 7.104 11.220 3.836 1.00 25.00 C ATOM 0 H THR A 7 6.804 10.607 7.081 1.00 25.00 H new ATOM 0 HA THR A 7 4.867 10.191 4.878 1.00 25.00 H new ATOM 0 HB THR A 7 6.750 9.107 3.716 1.00 25.00 H new ATOM 0 HG1 THR A 7 8.798 9.187 4.596 1.00 25.00 H new ATOM 0 HG21 THR A 7 7.962 11.198 3.163 1.00 25.00 H new ATOM 0 HG22 THR A 7 6.206 11.468 3.271 1.00 25.00 H new ATOM 0 HG23 THR A 7 7.267 11.973 4.607 1.00 25.00 H new ATOM 110 N LEU A 8 4.822 7.621 5.185 1.00 25.00 N ATOM 111 CA LEU A 8 4.416 6.291 5.610 1.00 25.00 C ATOM 112 C LEU A 8 5.501 5.269 5.301 1.00 25.00 C ATOM 113 O LEU A 8 5.733 4.879 4.154 1.00 25.00 O ATOM 114 CB LEU A 8 3.111 5.925 4.924 1.00 25.00 C ATOM 115 CG LEU A 8 2.432 4.650 5.409 1.00 25.00 C ATOM 116 CD1 LEU A 8 1.928 4.781 6.845 1.00 25.00 C ATOM 117 CD2 LEU A 8 1.275 4.353 4.485 1.00 25.00 C ATOM 0 H LEU A 8 4.540 7.860 4.234 1.00 25.00 H new ATOM 0 HA LEU A 8 4.264 6.288 6.689 1.00 25.00 H new ATOM 0 HB2 LEU A 8 2.414 6.754 5.049 1.00 25.00 H new ATOM 0 HB3 LEU A 8 3.301 5.827 3.855 1.00 25.00 H new ATOM 0 HG LEU A 8 3.159 3.838 5.398 1.00 25.00 H new ATOM 0 HD11 LEU A 8 1.451 3.849 7.150 1.00 25.00 H new ATOM 0 HD12 LEU A 8 2.767 4.992 7.507 1.00 25.00 H new ATOM 0 HD13 LEU A 8 1.205 5.595 6.904 1.00 25.00 H new ATOM 0 HD21 LEU A 8 0.772 3.443 4.812 1.00 25.00 H new ATOM 0 HD22 LEU A 8 0.570 5.184 4.506 1.00 25.00 H new ATOM 0 HD23 LEU A 8 1.646 4.217 3.469 1.00 25.00 H new ATOM 129 N CYS A 9 6.203 4.880 6.347 1.00 25.00 N ATOM 130 CA CYS A 9 7.378 4.027 6.228 1.00 25.00 C ATOM 131 C CYS A 9 7.610 3.282 7.540 1.00 25.00 C ATOM 132 O CYS A 9 6.764 3.312 8.421 1.00 25.00 O ATOM 133 CB CYS A 9 8.591 4.903 5.907 1.00 25.00 C ATOM 134 SG CYS A 9 9.828 4.074 4.861 1.00 25.00 S ATOM 0 H CYS A 9 5.978 5.145 7.306 1.00 25.00 H new ATOM 0 HA CYS A 9 7.228 3.298 5.432 1.00 25.00 H new ATOM 0 HB2 CYS A 9 8.252 5.810 5.406 1.00 25.00 H new ATOM 0 HB3 CYS A 9 9.063 5.212 6.840 1.00 25.00 H new ATOM 139 N GLY A 10 8.759 2.629 7.674 1.00 25.00 N ATOM 140 CA GLY A 10 9.120 1.995 8.937 1.00 25.00 C ATOM 141 C GLY A 10 8.194 0.875 9.374 1.00 25.00 C ATOM 142 O GLY A 10 7.978 0.675 10.556 1.00 25.00 O ATOM 0 H GLY A 10 9.451 2.525 6.932 1.00 25.00 H new ATOM 0 HA2 GLY A 10 10.132 1.599 8.852 1.00 25.00 H new ATOM 0 HA3 GLY A 10 9.140 2.756 9.717 1.00 25.00 H new ATOM 146 N GLY A 11 7.612 0.167 8.417 1.00 25.00 N ATOM 147 CA GLY A 11 6.688 -0.913 8.738 1.00 25.00 C ATOM 148 C GLY A 11 5.238 -0.466 8.783 1.00 25.00 C ATOM 149 O GLY A 11 4.351 -1.253 8.498 1.00 25.00 O ATOM 0 H GLY A 11 7.761 0.318 7.419 1.00 25.00 H new ATOM 0 HA2 GLY A 11 6.794 -1.706 7.997 1.00 25.00 H new ATOM 0 HA3 GLY A 11 6.960 -1.340 9.703 1.00 25.00 H new ATOM 153 N GLU A 12 4.995 0.812 9.044 1.00 25.00 N ATOM 154 CA GLU A 12 3.625 1.346 9.053 1.00 25.00 C ATOM 155 C GLU A 12 3.022 1.230 7.653 1.00 25.00 C ATOM 156 O GLU A 12 1.822 1.071 7.481 1.00 25.00 O ATOM 157 CB GLU A 12 3.624 2.816 9.490 1.00 25.00 C ATOM 158 CG GLU A 12 4.213 3.071 10.882 1.00 25.00 C ATOM 159 CD GLU A 12 3.407 2.431 11.975 1.00 25.00 C ATOM 160 OE1 GLU A 12 2.230 2.272 11.927 1.00 25.00 O ATOM 161 OE2 GLU A 12 4.110 2.072 12.990 1.00 25.00 O ATOM 0 H GLU A 12 5.719 1.500 9.252 1.00 25.00 H new ATOM 0 HA GLU A 12 3.029 0.769 9.760 1.00 25.00 H new ATOM 0 HB2 GLU A 12 4.187 3.398 8.760 1.00 25.00 H new ATOM 0 HB3 GLU A 12 2.599 3.186 9.471 1.00 25.00 H new ATOM 0 HG2 GLU A 12 5.233 2.689 10.916 1.00 25.00 H new ATOM 0 HG3 GLU A 12 4.269 4.145 11.058 1.00 25.00 H new ATOM 168 N LEU A 13 3.885 1.266 6.649 1.00 25.00 N ATOM 169 CA LEU A 13 3.466 1.094 5.263 1.00 25.00 C ATOM 170 C LEU A 13 2.882 -0.301 5.036 1.00 25.00 C ATOM 171 O LEU A 13 1.899 -0.462 4.330 1.00 25.00 O ATOM 172 CB LEU A 13 4.673 1.317 4.343 1.00 25.00 C ATOM 173 CG LEU A 13 4.432 1.210 2.828 1.00 25.00 C ATOM 174 CD1 LEU A 13 3.308 2.112 2.357 1.00 25.00 C ATOM 175 CD2 LEU A 13 5.726 1.574 2.096 1.00 25.00 C ATOM 0 H LEU A 13 4.887 1.414 6.768 1.00 25.00 H new ATOM 0 HA LEU A 13 2.688 1.823 5.036 1.00 25.00 H new ATOM 0 HB2 LEU A 13 5.078 2.307 4.551 1.00 25.00 H new ATOM 0 HB3 LEU A 13 5.443 0.594 4.614 1.00 25.00 H new ATOM 0 HG LEU A 13 4.136 0.185 2.605 1.00 25.00 H new ATOM 0 HD11 LEU A 13 3.178 1.999 1.281 1.00 25.00 H new ATOM 0 HD12 LEU A 13 2.384 1.837 2.865 1.00 25.00 H new ATOM 0 HD13 LEU A 13 3.553 3.149 2.586 1.00 25.00 H new ATOM 0 HD21 LEU A 13 5.568 1.502 1.020 1.00 25.00 H new ATOM 0 HD22 LEU A 13 6.015 2.593 2.353 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.518 0.887 2.393 1.00 25.00 H new ATOM 187 N VAL A 14 3.493 -1.301 5.653 1.00 25.00 N ATOM 188 CA VAL A 14 3.050 -2.693 5.526 1.00 25.00 C ATOM 189 C VAL A 14 1.726 -2.872 6.265 1.00 25.00 C ATOM 190 O VAL A 14 0.827 -3.538 5.770 1.00 25.00 O ATOM 191 CB VAL A 14 4.124 -3.671 6.109 1.00 25.00 C ATOM 192 CG1 VAL A 14 3.650 -5.122 6.067 1.00 25.00 C ATOM 193 CG2 VAL A 14 5.436 -3.549 5.315 1.00 25.00 C ATOM 0 H VAL A 14 4.307 -1.178 6.255 1.00 25.00 H new ATOM 0 HA VAL A 14 2.914 -2.925 4.470 1.00 25.00 H new ATOM 0 HB VAL A 14 4.287 -3.391 7.150 1.00 25.00 H new ATOM 0 HG11 VAL A 14 4.423 -5.769 6.480 1.00 25.00 H new ATOM 0 HG12 VAL A 14 2.738 -5.224 6.656 1.00 25.00 H new ATOM 0 HG13 VAL A 14 3.449 -5.410 5.035 1.00 25.00 H new ATOM 0 HG21 VAL A 14 6.177 -4.234 5.729 1.00 25.00 H new ATOM 0 HG22 VAL A 14 5.254 -3.800 4.270 1.00 25.00 H new ATOM 0 HG23 VAL A 14 5.809 -2.527 5.383 1.00 25.00 H new ATOM 203 N ASP A 15 1.603 -2.243 7.424 1.00 25.00 N ATOM 204 CA ASP A 15 0.363 -2.297 8.206 1.00 25.00 C ATOM 205 C ASP A 15 -0.791 -1.699 7.400 1.00 25.00 C ATOM 206 O ASP A 15 -1.842 -2.318 7.227 1.00 25.00 O ATOM 207 CB ASP A 15 0.553 -1.514 9.508 1.00 25.00 C ATOM 208 CG ASP A 15 -0.656 -1.593 10.416 1.00 25.00 C ATOM 209 OD1 ASP A 15 -0.629 -2.400 11.368 1.00 25.00 O ATOM 210 OD2 ASP A 15 -1.613 -0.825 10.200 1.00 25.00 O ATOM 0 H ASP A 15 2.344 -1.687 7.850 1.00 25.00 H new ATOM 0 HA ASP A 15 0.126 -3.335 8.438 1.00 25.00 H new ATOM 0 HB2 ASP A 15 1.425 -1.900 10.036 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.759 -0.470 9.273 1.00 25.00 H new ATOM 215 N THR A 16 -0.556 -0.528 6.830 1.00 25.00 N ATOM 216 CA THR A 16 -1.562 0.133 6.000 1.00 25.00 C ATOM 217 C THR A 16 -1.911 -0.723 4.785 1.00 25.00 C ATOM 218 O THR A 16 -3.068 -0.830 4.410 1.00 25.00 O ATOM 219 CB THR A 16 -1.060 1.508 5.521 1.00 25.00 C ATOM 220 OG1 THR A 16 -0.630 2.279 6.646 1.00 25.00 O ATOM 221 CG2 THR A 16 -2.154 2.291 4.816 1.00 25.00 C ATOM 0 H THR A 16 0.319 -0.013 6.924 1.00 25.00 H new ATOM 0 HA THR A 16 -2.454 0.269 6.612 1.00 25.00 H new ATOM 0 HB THR A 16 -0.241 1.330 4.825 1.00 25.00 H new ATOM 0 HG1 THR A 16 0.229 1.936 6.969 1.00 25.00 H new ATOM 0 HG21 THR A 16 -1.761 3.255 4.493 1.00 25.00 H new ATOM 0 HG22 THR A 16 -2.500 1.731 3.947 1.00 25.00 H new ATOM 0 HG23 THR A 16 -2.987 2.450 5.501 1.00 25.00 H new ATOM 229 N LEU A 17 -0.919 -1.355 4.177 1.00 25.00 N ATOM 230 CA LEU A 17 -1.164 -2.216 3.022 1.00 25.00 C ATOM 231 C LEU A 17 -2.050 -3.410 3.391 1.00 25.00 C ATOM 232 O LEU A 17 -2.919 -3.788 2.615 1.00 25.00 O ATOM 233 CB LEU A 17 0.160 -2.699 2.428 1.00 25.00 C ATOM 234 CG LEU A 17 0.795 -1.737 1.408 1.00 25.00 C ATOM 235 CD1 LEU A 17 2.287 -1.983 1.277 1.00 25.00 C ATOM 236 CD2 LEU A 17 0.142 -1.888 0.029 1.00 25.00 C ATOM 0 H LEU A 17 0.059 -1.291 4.459 1.00 25.00 H new ATOM 0 HA LEU A 17 -1.694 -1.627 2.273 1.00 25.00 H new ATOM 0 HB2 LEU A 17 0.868 -2.865 3.240 1.00 25.00 H new ATOM 0 HB3 LEU A 17 -0.004 -3.663 1.945 1.00 25.00 H new ATOM 0 HG LEU A 17 0.630 -0.725 1.777 1.00 25.00 H new ATOM 0 HD11 LEU A 17 2.708 -1.289 0.550 1.00 25.00 H new ATOM 0 HD12 LEU A 17 2.767 -1.831 2.244 1.00 25.00 H new ATOM 0 HD13 LEU A 17 2.459 -3.006 0.943 1.00 25.00 H new ATOM 0 HD21 LEU A 17 0.609 -1.197 -0.673 1.00 25.00 H new ATOM 0 HD22 LEU A 17 0.274 -2.910 -0.326 1.00 25.00 H new ATOM 0 HD23 LEU A 17 -0.922 -1.664 0.104 1.00 25.00 H new ATOM 248 N GLN A 18 -1.878 -3.966 4.583 1.00 25.00 N ATOM 249 CA GLN A 18 -2.748 -5.055 5.040 1.00 25.00 C ATOM 250 C GLN A 18 -4.178 -4.543 5.188 1.00 25.00 C ATOM 251 O GLN A 18 -5.122 -5.182 4.730 1.00 25.00 O ATOM 252 CB GLN A 18 -2.281 -5.612 6.393 1.00 25.00 C ATOM 253 CG GLN A 18 -0.997 -6.412 6.327 1.00 25.00 C ATOM 254 CD GLN A 18 -0.495 -6.826 7.691 1.00 25.00 C ATOM 255 OE1 GLN A 18 -1.258 -7.110 8.592 1.00 25.00 O ATOM 256 NE2 GLN A 18 0.802 -6.881 7.837 1.00 25.00 N ATOM 0 H GLN A 18 -1.155 -3.689 5.248 1.00 25.00 H new ATOM 0 HA GLN A 18 -2.704 -5.852 4.298 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -2.143 -4.782 7.086 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -3.068 -6.244 6.804 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -1.159 -7.302 5.719 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -0.231 -5.820 5.827 1.00 25.00 H new ATOM 0 HE21 GLN A 18 1.414 -6.635 7.059 1.00 25.00 H new ATOM 0 HE22 GLN A 18 1.203 -7.170 8.729 1.00 25.00 H new ATOM 265 N PHE A 19 -4.329 -3.383 5.812 1.00 25.00 N ATOM 266 CA PHE A 19 -5.647 -2.792 6.043 1.00 25.00 C ATOM 267 C PHE A 19 -6.379 -2.437 4.745 1.00 25.00 C ATOM 268 O PHE A 19 -7.563 -2.718 4.597 1.00 25.00 O ATOM 269 CB PHE A 19 -5.488 -1.530 6.897 1.00 25.00 C ATOM 270 CG PHE A 19 -6.781 -0.808 7.153 1.00 25.00 C ATOM 271 CD1 PHE A 19 -7.120 0.333 6.399 1.00 25.00 C ATOM 272 CD2 PHE A 19 -7.673 -1.262 8.141 1.00 25.00 C ATOM 273 CE1 PHE A 19 -8.341 1.015 6.622 1.00 25.00 C ATOM 274 CE2 PHE A 19 -8.898 -0.589 8.376 1.00 25.00 C ATOM 275 CZ PHE A 19 -9.233 0.550 7.612 1.00 25.00 C ATOM 0 H PHE A 19 -3.552 -2.827 6.170 1.00 25.00 H new ATOM 0 HA PHE A 19 -6.252 -3.539 6.557 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -5.039 -1.802 7.852 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -4.795 -0.851 6.401 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -6.440 0.692 5.641 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -7.422 -2.133 8.727 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -8.589 1.888 6.036 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -9.574 -0.947 9.138 1.00 25.00 H new ATOM 0 HZ PHE A 19 -10.168 1.063 7.784 1.00 25.00 H new ATOM 285 N VAL A 20 -5.682 -1.800 3.816 1.00 25.00 N ATOM 286 CA VAL A 20 -6.296 -1.352 2.563 1.00 25.00 C ATOM 287 C VAL A 20 -6.620 -2.522 1.638 1.00 25.00 C ATOM 288 O VAL A 20 -7.660 -2.523 0.976 1.00 25.00 O ATOM 289 CB VAL A 20 -5.353 -0.341 1.820 1.00 25.00 C ATOM 290 CG1 VAL A 20 -5.893 0.030 0.429 1.00 25.00 C ATOM 291 CG2 VAL A 20 -5.209 0.943 2.643 1.00 25.00 C ATOM 0 H VAL A 20 -4.690 -1.579 3.901 1.00 25.00 H new ATOM 0 HA VAL A 20 -7.231 -0.856 2.823 1.00 25.00 H new ATOM 0 HB VAL A 20 -4.387 -0.831 1.701 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -5.211 0.731 -0.051 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -5.977 -0.870 -0.181 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -6.875 0.492 0.531 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -4.553 1.639 2.120 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -6.189 1.400 2.778 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -4.782 0.705 3.617 1.00 25.00 H new ATOM 301 N CYS A 21 -5.732 -3.500 1.554 1.00 25.00 N ATOM 302 CA CYS A 21 -5.920 -4.582 0.596 1.00 25.00 C ATOM 303 C CYS A 21 -6.773 -5.735 1.107 1.00 25.00 C ATOM 304 O CYS A 21 -7.462 -6.374 0.325 1.00 25.00 O ATOM 305 CB CYS A 21 -4.566 -5.098 0.133 1.00 25.00 C ATOM 306 SG CYS A 21 -3.561 -3.790 -0.645 1.00 25.00 S ATOM 0 H CYS A 21 -4.889 -3.569 2.124 1.00 25.00 H new ATOM 0 HA CYS A 21 -6.476 -4.153 -0.238 1.00 25.00 H new ATOM 0 HB2 CYS A 21 -4.026 -5.511 0.985 1.00 25.00 H new ATOM 0 HB3 CYS A 21 -4.712 -5.912 -0.577 1.00 25.00 H new ATOM 311 N GLY A 22 -6.754 -6.000 2.404 1.00 25.00 N ATOM 312 CA GLY A 22 -7.606 -7.042 2.950 1.00 25.00 C ATOM 313 C GLY A 22 -7.414 -8.424 2.339 1.00 25.00 C ATOM 314 O GLY A 22 -6.303 -8.955 2.279 1.00 25.00 O ATOM 0 H GLY A 22 -6.169 -5.518 3.086 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -7.428 -7.109 4.023 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -8.646 -6.745 2.817 1.00 25.00 H new ATOM 318 N ASP A 23 -8.524 -9.007 1.899 1.00 25.00 N ATOM 319 CA ASP A 23 -8.579 -10.390 1.399 1.00 25.00 C ATOM 320 C ASP A 23 -7.641 -10.731 0.243 1.00 25.00 C ATOM 321 O ASP A 23 -7.189 -11.866 0.119 1.00 25.00 O ATOM 322 CB ASP A 23 -10.017 -10.720 0.947 1.00 25.00 C ATOM 323 CG ASP A 23 -10.380 -10.082 -0.404 1.00 25.00 C ATOM 324 OD1 ASP A 23 -10.809 -10.828 -1.313 1.00 25.00 O ATOM 325 OD2 ASP A 23 -10.228 -8.851 -0.564 1.00 25.00 O ATOM 0 H ASP A 23 -9.426 -8.532 1.876 1.00 25.00 H new ATOM 0 HA ASP A 23 -8.245 -10.989 2.246 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -10.131 -11.802 0.875 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -10.719 -10.376 1.706 1.00 25.00 H new ATOM 330 N ARG A 24 -7.384 -9.771 -0.631 1.00 25.00 N ATOM 331 CA ARG A 24 -6.597 -10.042 -1.835 1.00 25.00 C ATOM 332 C ARG A 24 -5.095 -10.024 -1.610 1.00 25.00 C ATOM 333 O ARG A 24 -4.349 -10.509 -2.452 1.00 25.00 O ATOM 334 CB ARG A 24 -6.972 -9.060 -2.946 1.00 25.00 C ATOM 335 CG ARG A 24 -7.008 -7.610 -2.512 1.00 25.00 C ATOM 336 CD ARG A 24 -7.281 -6.695 -3.674 1.00 25.00 C ATOM 337 NE ARG A 24 -8.602 -6.954 -4.263 1.00 25.00 N ATOM 338 CZ ARG A 24 -8.892 -6.878 -5.556 1.00 25.00 C ATOM 339 NH1 ARG A 24 -7.990 -6.575 -6.460 1.00 25.00 N ATOM 340 NH2 ARG A 24 -10.112 -7.116 -5.946 1.00 25.00 N ATOM 0 H ARG A 24 -7.702 -8.806 -0.536 1.00 25.00 H new ATOM 0 HA ARG A 24 -6.847 -11.061 -2.132 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -6.258 -9.165 -3.763 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -7.951 -9.333 -3.341 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -7.778 -7.475 -1.752 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -6.056 -7.343 -2.052 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -7.226 -5.658 -3.343 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -6.510 -6.829 -4.433 1.00 25.00 H new ATOM 0 HE ARG A 24 -9.357 -7.213 -3.627 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -7.028 -6.388 -6.178 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -8.251 -6.526 -7.445 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -10.829 -7.357 -5.261 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -10.351 -7.062 -6.936 1.00 25.00 H new ATOM 354 N GLY A 25 -4.637 -9.474 -0.496 1.00 25.00 N ATOM 355 CA GLY A 25 -3.218 -9.406 -0.246 1.00 25.00 C ATOM 356 C GLY A 25 -2.608 -8.288 -1.057 1.00 25.00 C ATOM 357 O GLY A 25 -3.301 -7.540 -1.748 1.00 25.00 O ATOM 0 H GLY A 25 -5.224 -9.075 0.237 1.00 25.00 H new ATOM 0 HA2 GLY A 25 -3.034 -9.240 0.815 1.00 25.00 H new ATOM 0 HA3 GLY A 25 -2.748 -10.354 -0.506 1.00 25.00 H new ATOM 361 N PHE A 26 -1.303 -8.152 -0.945 1.00 25.00 N ATOM 362 CA PHE A 26 -0.572 -7.066 -1.589 1.00 25.00 C ATOM 363 C PHE A 26 0.881 -7.459 -1.765 1.00 25.00 C ATOM 364 O PHE A 26 1.329 -8.441 -1.174 1.00 25.00 O ATOM 365 CB PHE A 26 -0.648 -5.829 -0.701 1.00 25.00 C ATOM 366 CG PHE A 26 0.116 -5.966 0.584 1.00 25.00 C ATOM 367 CD1 PHE A 26 1.473 -5.587 0.659 1.00 25.00 C ATOM 368 CD2 PHE A 26 -0.509 -6.483 1.732 1.00 25.00 C ATOM 369 CE1 PHE A 26 2.198 -5.735 1.865 1.00 25.00 C ATOM 370 CE2 PHE A 26 0.209 -6.636 2.935 1.00 25.00 C ATOM 371 CZ PHE A 26 1.561 -6.260 3.002 1.00 25.00 C ATOM 0 H PHE A 26 -0.714 -8.788 -0.407 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.011 -6.859 -2.565 1.00 25.00 H new ATOM 0 HB2 PHE A 26 -0.264 -4.971 -1.253 1.00 25.00 H new ATOM 0 HB3 PHE A 26 -1.693 -5.619 -0.473 1.00 25.00 H new ATOM 0 HD1 PHE A 26 1.963 -5.180 -0.213 1.00 25.00 H new ATOM 0 HD2 PHE A 26 -1.550 -6.766 1.692 1.00 25.00 H new ATOM 0 HE1 PHE A 26 3.237 -5.445 1.911 1.00 25.00 H new ATOM 0 HE2 PHE A 26 -0.281 -7.043 3.807 1.00 25.00 H new ATOM 0 HZ PHE A 26 2.109 -6.374 3.925 1.00 25.00 H new ATOM 381 N TYR A 27 1.632 -6.673 -2.524 1.00 25.00 N ATOM 382 CA TYR A 27 3.067 -6.896 -2.659 1.00 25.00 C ATOM 383 C TYR A 27 3.779 -5.592 -3.005 1.00 25.00 C ATOM 384 O TYR A 27 3.192 -4.670 -3.560 1.00 25.00 O ATOM 385 CB TYR A 27 3.356 -7.969 -3.724 1.00 25.00 C ATOM 386 CG TYR A 27 2.876 -7.624 -5.122 1.00 25.00 C ATOM 387 CD1 TYR A 27 1.504 -7.680 -5.457 1.00 25.00 C ATOM 388 CD2 TYR A 27 3.794 -7.260 -6.128 1.00 25.00 C ATOM 389 CE1 TYR A 27 1.059 -7.367 -6.767 1.00 25.00 C ATOM 390 CE2 TYR A 27 3.348 -6.959 -7.443 1.00 25.00 C ATOM 391 CZ TYR A 27 1.986 -7.010 -7.744 1.00 25.00 C ATOM 392 OH TYR A 27 1.562 -6.708 -9.013 1.00 25.00 O ATOM 0 H TYR A 27 1.275 -5.878 -3.054 1.00 25.00 H new ATOM 0 HA TYR A 27 3.448 -7.255 -1.703 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.431 -8.147 -3.758 1.00 25.00 H new ATOM 0 HB3 TYR A 27 2.888 -8.903 -3.415 1.00 25.00 H new ATOM 0 HD1 TYR A 27 0.784 -7.965 -4.704 1.00 25.00 H new ATOM 0 HD2 TYR A 27 4.848 -7.209 -5.897 1.00 25.00 H new ATOM 0 HE1 TYR A 27 0.006 -7.405 -7.006 1.00 25.00 H new ATOM 0 HE2 TYR A 27 4.062 -6.691 -8.208 1.00 25.00 H new ATOM 0 HH TYR A 27 2.335 -6.479 -9.570 1.00 25.00 H new ATOM 402 N PHE A 28 5.057 -5.517 -2.665 1.00 25.00 N ATOM 403 CA PHE A 28 5.868 -4.352 -3.006 1.00 25.00 C ATOM 404 C PHE A 28 6.411 -4.634 -4.398 1.00 25.00 C ATOM 405 O PHE A 28 6.886 -5.734 -4.662 1.00 25.00 O ATOM 406 CB PHE A 28 7.045 -4.198 -2.031 1.00 25.00 C ATOM 407 CG PHE A 28 6.689 -3.506 -0.730 1.00 25.00 C ATOM 408 CD1 PHE A 28 5.687 -4.013 0.124 1.00 25.00 C ATOM 409 CD2 PHE A 28 7.386 -2.344 -0.341 1.00 25.00 C ATOM 410 CE1 PHE A 28 5.385 -3.366 1.348 1.00 25.00 C ATOM 411 CE2 PHE A 28 7.083 -1.686 0.877 1.00 25.00 C ATOM 412 CZ PHE A 28 6.079 -2.199 1.720 1.00 25.00 C ATOM 0 H PHE A 28 5.556 -6.246 -2.155 1.00 25.00 H new ATOM 0 HA PHE A 28 5.279 -3.436 -2.957 1.00 25.00 H new ATOM 0 HB2 PHE A 28 7.447 -5.186 -1.806 1.00 25.00 H new ATOM 0 HB3 PHE A 28 7.838 -3.636 -2.523 1.00 25.00 H new ATOM 0 HD1 PHE A 28 5.145 -4.903 -0.158 1.00 25.00 H new ATOM 0 HD2 PHE A 28 8.162 -1.950 -0.980 1.00 25.00 H new ATOM 0 HE1 PHE A 28 4.621 -3.769 1.997 1.00 25.00 H new ATOM 0 HE2 PHE A 28 7.621 -0.793 1.158 1.00 25.00 H new ATOM 0 HZ PHE A 28 5.842 -1.700 2.648 1.00 25.00 H new ATOM 422 N SER A 29 6.359 -3.652 -5.285 1.00 25.00 N ATOM 423 CA SER A 29 6.838 -3.846 -6.652 1.00 25.00 C ATOM 424 C SER A 29 7.546 -2.621 -7.194 1.00 25.00 C ATOM 425 O SER A 29 7.084 -1.494 -7.009 1.00 25.00 O ATOM 426 CB SER A 29 5.662 -4.182 -7.564 1.00 25.00 C ATOM 427 OG SER A 29 6.108 -4.454 -8.881 1.00 25.00 O ATOM 0 H SER A 29 5.994 -2.720 -5.089 1.00 25.00 H new ATOM 0 HA SER A 29 7.556 -4.666 -6.629 1.00 25.00 H new ATOM 0 HB2 SER A 29 5.127 -5.046 -7.171 1.00 25.00 H new ATOM 0 HB3 SER A 29 4.958 -3.350 -7.578 1.00 25.00 H new ATOM 0 HG SER A 29 5.339 -4.669 -9.449 1.00 25.00 H new ATOM 433 N ARG A 30 8.667 -2.857 -7.868 1.00 25.00 N ATOM 434 CA ARG A 30 9.436 -1.823 -8.545 1.00 25.00 C ATOM 435 C ARG A 30 10.361 -2.536 -9.534 1.00 25.00 C ATOM 436 O ARG A 30 10.795 -3.657 -9.259 1.00 25.00 O ATOM 437 CB ARG A 30 10.208 -0.979 -7.509 1.00 25.00 C ATOM 438 CG ARG A 30 11.736 -1.200 -7.343 1.00 25.00 C ATOM 439 CD ARG A 30 12.087 -2.559 -6.723 1.00 25.00 C ATOM 440 NE ARG A 30 13.283 -2.509 -5.860 1.00 25.00 N ATOM 441 CZ ARG A 30 13.292 -2.188 -4.571 1.00 25.00 C ATOM 442 NH1 ARG A 30 12.207 -1.836 -3.925 1.00 25.00 N ATOM 443 NH2 ARG A 30 14.418 -2.229 -3.918 1.00 25.00 N ATOM 0 H ARG A 30 9.072 -3.789 -7.960 1.00 25.00 H new ATOM 0 HA ARG A 30 8.798 -1.126 -9.088 1.00 25.00 H new ATOM 0 HB2 ARG A 30 10.053 0.071 -7.759 1.00 25.00 H new ATOM 0 HB3 ARG A 30 9.744 -1.147 -6.537 1.00 25.00 H new ATOM 0 HG2 ARG A 30 12.216 -1.118 -8.318 1.00 25.00 H new ATOM 0 HG3 ARG A 30 12.145 -0.406 -6.718 1.00 25.00 H new ATOM 0 HD2 ARG A 30 11.239 -2.915 -6.138 1.00 25.00 H new ATOM 0 HD3 ARG A 30 12.251 -3.284 -7.520 1.00 25.00 H new ATOM 0 HE ARG A 30 14.179 -2.741 -6.290 1.00 25.00 H new ATOM 0 HH11 ARG A 30 11.312 -1.801 -4.413 1.00 25.00 H new ATOM 0 HH12 ARG A 30 12.258 -1.597 -2.935 1.00 25.00 H new ATOM 0 HH21 ARG A 30 15.275 -2.505 -4.397 1.00 25.00 H new ATOM 0 HH22 ARG A 30 14.442 -1.986 -2.928 1.00 25.00 H new ATOM 457 N PRO A 31 10.642 -1.940 -10.705 1.00 25.00 N ATOM 458 CA PRO A 31 11.625 -2.660 -11.521 1.00 25.00 C ATOM 459 C PRO A 31 13.040 -2.547 -10.947 1.00 25.00 C ATOM 460 O PRO A 31 13.431 -1.495 -10.438 1.00 25.00 O ATOM 461 CB PRO A 31 11.528 -1.950 -12.874 1.00 25.00 C ATOM 462 CG PRO A 31 11.141 -0.546 -12.518 1.00 25.00 C ATOM 463 CD PRO A 31 10.179 -0.704 -11.367 1.00 25.00 C ATOM 0 HA PRO A 31 11.427 -3.731 -11.571 1.00 25.00 H new ATOM 0 HB2 PRO A 31 12.477 -1.979 -13.409 1.00 25.00 H new ATOM 0 HB3 PRO A 31 10.784 -2.418 -13.518 1.00 25.00 H new ATOM 0 HG2 PRO A 31 12.010 0.046 -12.231 1.00 25.00 H new ATOM 0 HG3 PRO A 31 10.673 -0.037 -13.360 1.00 25.00 H new ATOM 0 HD2 PRO A 31 10.215 0.151 -10.692 1.00 25.00 H new ATOM 0 HD3 PRO A 31 9.149 -0.794 -11.713 1.00 25.00 H new ATOM 471 N ALA A 32 13.806 -3.628 -11.029 1.00 25.00 N ATOM 472 CA ALA A 32 15.194 -3.617 -10.557 1.00 25.00 C ATOM 473 C ALA A 32 16.153 -3.367 -11.714 1.00 25.00 C ATOM 474 O ALA A 32 17.295 -2.953 -11.523 1.00 25.00 O ATOM 475 CB ALA A 32 15.523 -4.945 -9.863 1.00 25.00 C ATOM 0 H ALA A 32 13.497 -4.520 -11.415 1.00 25.00 H new ATOM 0 HA ALA A 32 15.311 -2.806 -9.838 1.00 25.00 H new ATOM 0 HB1 ALA A 32 16.556 -4.928 -9.516 1.00 25.00 H new ATOM 0 HB2 ALA A 32 14.856 -5.086 -9.012 1.00 25.00 H new ATOM 0 HB3 ALA A 32 15.391 -5.766 -10.567 1.00 25.00 H new ATOM 481 N SER A 33 15.610 -3.603 -12.896 1.00 25.00 N ATOM 482 CA SER A 33 16.279 -3.488 -14.183 1.00 25.00 C ATOM 483 C SER A 33 17.512 -4.401 -14.382 1.00 25.00 C ATOM 484 O SER A 33 18.021 -4.999 -13.447 1.00 25.00 O ATOM 485 CB SER A 33 16.597 -2.025 -14.428 1.00 25.00 C ATOM 486 OG SER A 33 15.509 -1.218 -13.996 1.00 25.00 O ATOM 0 H SER A 33 14.638 -3.896 -12.990 1.00 25.00 H new ATOM 0 HA SER A 33 15.586 -3.862 -14.936 1.00 25.00 H new ATOM 0 HB2 SER A 33 17.504 -1.746 -13.892 1.00 25.00 H new ATOM 0 HB3 SER A 33 16.788 -1.857 -15.488 1.00 25.00 H new ATOM 0 HG SER A 33 15.852 -0.436 -13.515 1.00 25.00 H new ATOM 492 N ARG A 34 17.924 -4.570 -15.639 1.00 25.00 N ATOM 493 CA ARG A 34 19.032 -5.479 -15.989 1.00 25.00 C ATOM 494 C ARG A 34 20.364 -4.933 -15.482 1.00 25.00 C ATOM 495 O ARG A 34 21.300 -5.672 -15.213 1.00 25.00 O ATOM 496 CB ARG A 34 19.079 -5.666 -17.517 1.00 25.00 C ATOM 497 CG ARG A 34 19.799 -6.940 -17.992 1.00 25.00 C ATOM 498 CD ARG A 34 21.285 -6.713 -18.302 1.00 25.00 C ATOM 499 NE ARG A 34 21.907 -7.918 -18.885 1.00 25.00 N ATOM 500 CZ ARG A 34 23.210 -8.081 -19.091 1.00 25.00 C ATOM 501 NH1 ARG A 34 24.094 -7.165 -18.772 1.00 25.00 N ATOM 502 NH2 ARG A 34 23.635 -9.194 -19.625 1.00 25.00 N ATOM 0 H ARG A 34 17.510 -4.091 -16.438 1.00 25.00 H new ATOM 0 HA ARG A 34 18.860 -6.443 -15.511 1.00 25.00 H new ATOM 0 HB2 ARG A 34 18.058 -5.680 -17.898 1.00 25.00 H new ATOM 0 HB3 ARG A 34 19.573 -4.801 -17.959 1.00 25.00 H new ATOM 0 HG2 ARG A 34 19.708 -7.709 -17.225 1.00 25.00 H new ATOM 0 HG3 ARG A 34 19.302 -7.320 -18.885 1.00 25.00 H new ATOM 0 HD2 ARG A 34 21.390 -5.877 -18.994 1.00 25.00 H new ATOM 0 HD3 ARG A 34 21.810 -6.437 -17.388 1.00 25.00 H new ATOM 0 HE ARG A 34 21.289 -8.685 -19.150 1.00 25.00 H new ATOM 0 HH11 ARG A 34 23.790 -6.288 -18.349 1.00 25.00 H new ATOM 0 HH12 ARG A 34 25.085 -7.330 -18.947 1.00 25.00 H new ATOM 0 HH21 ARG A 34 22.970 -9.925 -19.878 1.00 25.00 H new ATOM 0 HH22 ARG A 34 24.632 -9.333 -19.789 1.00 25.00 H new ATOM 516 N VAL A 35 20.419 -3.621 -15.349 1.00 25.00 N ATOM 517 CA VAL A 35 21.575 -2.921 -14.806 1.00 25.00 C ATOM 518 C VAL A 35 21.023 -2.238 -13.572 1.00 25.00 C ATOM 519 O VAL A 35 19.810 -2.162 -13.430 1.00 25.00 O ATOM 520 CB VAL A 35 22.156 -1.894 -15.820 1.00 25.00 C ATOM 521 CG1 VAL A 35 22.768 -2.630 -17.020 1.00 25.00 C ATOM 522 CG2 VAL A 35 21.063 -0.916 -16.317 1.00 25.00 C ATOM 0 H VAL A 35 19.655 -3.001 -15.617 1.00 25.00 H new ATOM 0 HA VAL A 35 22.407 -3.589 -14.584 1.00 25.00 H new ATOM 0 HB VAL A 35 22.927 -1.318 -15.309 1.00 25.00 H new ATOM 0 HG11 VAL A 35 23.172 -1.903 -17.725 1.00 25.00 H new ATOM 0 HG12 VAL A 35 23.568 -3.285 -16.675 1.00 25.00 H new ATOM 0 HG13 VAL A 35 21.999 -3.225 -17.513 1.00 25.00 H new ATOM 0 HG21 VAL A 35 21.500 -0.211 -17.024 1.00 25.00 H new ATOM 0 HG22 VAL A 35 20.269 -1.478 -16.809 1.00 25.00 H new ATOM 0 HG23 VAL A 35 20.650 -0.370 -15.469 1.00 25.00 H new ATOM 532 N SER A 36 21.884 -1.764 -12.678 1.00 25.00 N ATOM 533 CA SER A 36 21.448 -1.173 -11.406 1.00 25.00 C ATOM 534 C SER A 36 20.750 0.192 -11.517 1.00 25.00 C ATOM 535 O SER A 36 21.244 1.203 -11.023 1.00 25.00 O ATOM 536 CB SER A 36 22.659 -1.040 -10.488 1.00 25.00 C ATOM 537 OG SER A 36 23.440 -2.223 -10.542 1.00 25.00 O ATOM 0 H SER A 36 22.896 -1.775 -12.807 1.00 25.00 H new ATOM 0 HA SER A 36 20.694 -1.852 -11.007 1.00 25.00 H new ATOM 0 HB2 SER A 36 23.261 -0.183 -10.788 1.00 25.00 H new ATOM 0 HB3 SER A 36 22.332 -0.857 -9.465 1.00 25.00 H new ATOM 0 HG SER A 36 24.217 -2.130 -9.952 1.00 25.00 H new ATOM 543 N ARG A 37 19.589 0.207 -12.154 1.00 25.00 N ATOM 544 CA ARG A 37 18.782 1.416 -12.319 1.00 25.00 C ATOM 545 C ARG A 37 17.377 1.113 -11.828 1.00 25.00 C ATOM 546 O ARG A 37 16.424 1.070 -12.597 1.00 25.00 O ATOM 547 CB ARG A 37 18.769 1.875 -13.786 1.00 25.00 C ATOM 548 CG ARG A 37 20.138 2.338 -14.321 1.00 25.00 C ATOM 549 CD ARG A 37 20.652 3.587 -13.592 1.00 25.00 C ATOM 550 NE ARG A 37 21.902 4.094 -14.189 1.00 25.00 N ATOM 551 CZ ARG A 37 22.631 5.097 -13.702 1.00 25.00 C ATOM 552 NH1 ARG A 37 22.301 5.736 -12.608 1.00 25.00 N ATOM 553 NH2 ARG A 37 23.714 5.458 -14.332 1.00 25.00 N ATOM 0 H ARG A 37 19.173 -0.624 -12.576 1.00 25.00 H new ATOM 0 HA ARG A 37 19.211 2.232 -11.737 1.00 25.00 H new ATOM 0 HB2 ARG A 37 18.408 1.055 -14.407 1.00 25.00 H new ATOM 0 HB3 ARG A 37 18.056 2.693 -13.892 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.862 1.531 -14.210 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.057 2.549 -15.387 1.00 25.00 H new ATOM 0 HD2 ARG A 37 19.891 4.367 -13.626 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.821 3.351 -12.541 1.00 25.00 H new ATOM 0 HE ARG A 37 22.234 3.642 -15.041 1.00 25.00 H new ATOM 0 HH11 ARG A 37 21.459 5.471 -12.097 1.00 25.00 H new ATOM 0 HH12 ARG A 37 22.886 6.499 -12.267 1.00 25.00 H new ATOM 0 HH21 ARG A 37 23.993 4.974 -15.186 1.00 25.00 H new ATOM 0 HH22 ARG A 37 24.282 6.224 -13.971 1.00 25.00 H new ATOM 567 N ARG A 38 17.277 0.865 -10.531 1.00 25.00 N ATOM 568 CA ARG A 38 15.985 0.627 -9.883 1.00 25.00 C ATOM 569 C ARG A 38 15.211 1.945 -9.891 1.00 25.00 C ATOM 570 O ARG A 38 15.826 3.013 -9.868 1.00 25.00 O ATOM 571 CB ARG A 38 16.194 0.129 -8.445 1.00 25.00 C ATOM 572 CG ARG A 38 16.789 1.189 -7.508 1.00 25.00 C ATOM 573 CD ARG A 38 17.272 0.590 -6.207 1.00 25.00 C ATOM 574 NE ARG A 38 17.715 1.652 -5.284 1.00 25.00 N ATOM 575 CZ ARG A 38 18.403 1.466 -4.161 1.00 25.00 C ATOM 576 NH1 ARG A 38 18.783 0.278 -3.756 1.00 25.00 N ATOM 577 NH2 ARG A 38 18.720 2.501 -3.433 1.00 25.00 N ATOM 0 H ARG A 38 18.076 0.822 -9.899 1.00 25.00 H new ATOM 0 HA ARG A 38 15.425 -0.140 -10.418 1.00 25.00 H new ATOM 0 HB2 ARG A 38 15.238 -0.204 -8.042 1.00 25.00 H new ATOM 0 HB3 ARG A 38 16.853 -0.739 -8.462 1.00 25.00 H new ATOM 0 HG2 ARG A 38 17.619 1.689 -8.007 1.00 25.00 H new ATOM 0 HG3 ARG A 38 16.038 1.951 -7.299 1.00 25.00 H new ATOM 0 HD2 ARG A 38 16.472 0.010 -5.747 1.00 25.00 H new ATOM 0 HD3 ARG A 38 18.094 -0.099 -6.400 1.00 25.00 H new ATOM 0 HE ARG A 38 17.473 2.612 -5.528 1.00 25.00 H new ATOM 0 HH11 ARG A 38 18.552 -0.547 -4.309 1.00 25.00 H new ATOM 0 HH12 ARG A 38 19.310 0.179 -2.888 1.00 25.00 H new ATOM 0 HH21 ARG A 38 18.440 3.437 -3.728 1.00 25.00 H new ATOM 0 HH22 ARG A 38 19.247 2.375 -2.569 1.00 25.00 H new ATOM 591 N SER A 39 13.887 1.892 -9.930 1.00 25.00 N ATOM 592 CA SER A 39 13.069 3.112 -9.933 1.00 25.00 C ATOM 593 C SER A 39 11.685 2.853 -9.355 1.00 25.00 C ATOM 594 O SER A 39 11.237 1.710 -9.351 1.00 25.00 O ATOM 595 CB SER A 39 12.895 3.615 -11.371 1.00 25.00 C ATOM 596 OG SER A 39 14.150 3.787 -12.009 1.00 25.00 O ATOM 0 H SER A 39 13.352 1.024 -9.960 1.00 25.00 H new ATOM 0 HA SER A 39 13.582 3.853 -9.320 1.00 25.00 H new ATOM 0 HB2 SER A 39 12.291 2.906 -11.937 1.00 25.00 H new ATOM 0 HB3 SER A 39 12.354 4.561 -11.365 1.00 25.00 H new ATOM 0 HG SER A 39 14.010 4.107 -12.925 1.00 25.00 H new ATOM 602 N ARG A 40 11.001 3.927 -8.960 1.00 25.00 N ATOM 603 CA ARG A 40 9.597 3.932 -8.521 1.00 25.00 C ATOM 604 C ARG A 40 9.184 2.869 -7.493 1.00 25.00 C ATOM 605 O ARG A 40 10.013 2.324 -6.762 1.00 25.00 O ATOM 606 CB ARG A 40 8.661 3.982 -9.753 1.00 25.00 C ATOM 607 CG ARG A 40 8.486 2.679 -10.564 1.00 25.00 C ATOM 608 CD ARG A 40 7.479 2.878 -11.693 1.00 25.00 C ATOM 609 NE ARG A 40 7.118 1.603 -12.340 1.00 25.00 N ATOM 610 CZ ARG A 40 6.290 1.473 -13.372 1.00 25.00 C ATOM 611 NH1 ARG A 40 5.710 2.503 -13.940 1.00 25.00 N ATOM 612 NH2 ARG A 40 6.037 0.282 -13.842 1.00 25.00 N ATOM 0 H ARG A 40 11.422 4.856 -8.934 1.00 25.00 H new ATOM 0 HA ARG A 40 9.486 4.845 -7.936 1.00 25.00 H new ATOM 0 HB2 ARG A 40 7.676 4.304 -9.415 1.00 25.00 H new ATOM 0 HB3 ARG A 40 9.034 4.752 -10.428 1.00 25.00 H new ATOM 0 HG2 ARG A 40 9.446 2.370 -10.977 1.00 25.00 H new ATOM 0 HG3 ARG A 40 8.149 1.878 -9.906 1.00 25.00 H new ATOM 0 HD2 ARG A 40 6.580 3.352 -11.298 1.00 25.00 H new ATOM 0 HD3 ARG A 40 7.897 3.557 -12.437 1.00 25.00 H new ATOM 0 HE ARG A 40 7.537 0.752 -11.965 1.00 25.00 H new ATOM 0 HH11 ARG A 40 5.888 3.445 -13.592 1.00 25.00 H new ATOM 0 HH12 ARG A 40 5.081 2.362 -14.730 1.00 25.00 H new ATOM 0 HH21 ARG A 40 6.473 -0.537 -13.418 1.00 25.00 H new ATOM 0 HH22 ARG A 40 5.403 0.170 -14.633 1.00 25.00 H new ATOM 626 N GLY A 41 7.883 2.634 -7.396 1.00 25.00 N ATOM 627 CA GLY A 41 7.341 1.671 -6.454 1.00 25.00 C ATOM 628 C GLY A 41 6.685 2.345 -5.273 1.00 25.00 C ATOM 629 O GLY A 41 6.839 3.547 -5.063 1.00 25.00 O ATOM 0 H GLY A 41 7.179 3.104 -7.965 1.00 25.00 H new ATOM 0 HA2 GLY A 41 6.613 1.038 -6.961 1.00 25.00 H new ATOM 0 HA3 GLY A 41 8.140 1.019 -6.102 1.00 25.00 H new ATOM 633 N ILE A 42 5.958 1.558 -4.494 1.00 25.00 N ATOM 634 CA ILE A 42 5.212 2.060 -3.338 1.00 25.00 C ATOM 635 C ILE A 42 6.123 2.798 -2.346 1.00 25.00 C ATOM 636 O ILE A 42 5.732 3.809 -1.777 1.00 25.00 O ATOM 637 CB ILE A 42 4.430 0.871 -2.650 1.00 25.00 C ATOM 638 CG1 ILE A 42 3.529 1.369 -1.509 1.00 25.00 C ATOM 639 CG2 ILE A 42 5.392 -0.217 -2.117 1.00 25.00 C ATOM 640 CD1 ILE A 42 2.211 1.949 -1.968 1.00 25.00 C ATOM 0 H ILE A 42 5.865 0.553 -4.641 1.00 25.00 H new ATOM 0 HA ILE A 42 4.486 2.794 -3.687 1.00 25.00 H new ATOM 0 HB ILE A 42 3.801 0.429 -3.423 1.00 25.00 H new ATOM 0 HG12 ILE A 42 3.331 0.540 -0.829 1.00 25.00 H new ATOM 0 HG13 ILE A 42 4.068 2.126 -0.940 1.00 25.00 H new ATOM 0 HG21 ILE A 42 4.815 -1.016 -1.652 1.00 25.00 H new ATOM 0 HG22 ILE A 42 5.975 -0.624 -2.943 1.00 25.00 H new ATOM 0 HG23 ILE A 42 6.065 0.222 -1.380 1.00 25.00 H new ATOM 0 HD11 ILE A 42 1.636 2.276 -1.102 1.00 25.00 H new ATOM 0 HD12 ILE A 42 2.396 2.800 -2.623 1.00 25.00 H new ATOM 0 HD13 ILE A 42 1.648 1.189 -2.511 1.00 25.00 H new ATOM 652 N VAL A 43 7.354 2.337 -2.175 1.00 25.00 N ATOM 653 CA VAL A 43 8.270 2.976 -1.231 1.00 25.00 C ATOM 654 C VAL A 43 8.682 4.379 -1.707 1.00 25.00 C ATOM 655 O VAL A 43 8.804 5.297 -0.907 1.00 25.00 O ATOM 656 CB VAL A 43 9.514 2.059 -0.949 1.00 25.00 C ATOM 657 CG1 VAL A 43 10.438 1.937 -2.181 1.00 25.00 C ATOM 658 CG2 VAL A 43 10.301 2.561 0.263 1.00 25.00 C ATOM 0 H VAL A 43 7.741 1.533 -2.669 1.00 25.00 H new ATOM 0 HA VAL A 43 7.742 3.108 -0.286 1.00 25.00 H new ATOM 0 HB VAL A 43 9.130 1.063 -0.728 1.00 25.00 H new ATOM 0 HG11 VAL A 43 11.284 1.294 -1.939 1.00 25.00 H new ATOM 0 HG12 VAL A 43 9.881 1.506 -3.013 1.00 25.00 H new ATOM 0 HG13 VAL A 43 10.802 2.925 -2.462 1.00 25.00 H new ATOM 0 HG21 VAL A 43 11.157 1.909 0.437 1.00 25.00 H new ATOM 0 HG22 VAL A 43 10.651 3.576 0.075 1.00 25.00 H new ATOM 0 HG23 VAL A 43 9.657 2.556 1.142 1.00 25.00 H new ATOM 668 N GLU A 44 8.841 4.577 -3.007 1.00 25.00 N ATOM 669 CA GLU A 44 9.218 5.885 -3.514 1.00 25.00 C ATOM 670 C GLU A 44 8.099 6.884 -3.314 1.00 25.00 C ATOM 671 O GLU A 44 8.330 8.061 -3.060 1.00 25.00 O ATOM 672 CB GLU A 44 9.541 5.790 -5.000 1.00 25.00 C ATOM 673 CG GLU A 44 10.716 6.640 -5.381 1.00 25.00 C ATOM 674 CD GLU A 44 10.937 6.678 -6.888 1.00 25.00 C ATOM 675 OE1 GLU A 44 10.044 7.172 -7.609 1.00 25.00 O ATOM 676 OE2 GLU A 44 11.970 6.150 -7.364 1.00 25.00 O ATOM 0 H GLU A 44 8.717 3.859 -3.720 1.00 25.00 H new ATOM 0 HA GLU A 44 10.096 6.223 -2.963 1.00 25.00 H new ATOM 0 HB2 GLU A 44 9.747 4.752 -5.259 1.00 25.00 H new ATOM 0 HB3 GLU A 44 8.670 6.097 -5.579 1.00 25.00 H new ATOM 0 HG2 GLU A 44 10.563 7.654 -5.013 1.00 25.00 H new ATOM 0 HG3 GLU A 44 11.612 6.256 -4.894 1.00 25.00 H new ATOM 683 N GLU A 45 6.877 6.403 -3.449 1.00 25.00 N ATOM 684 CA GLU A 45 5.715 7.269 -3.390 1.00 25.00 C ATOM 685 C GLU A 45 5.198 7.516 -1.976 1.00 25.00 C ATOM 686 O GLU A 45 4.728 8.598 -1.695 1.00 25.00 O ATOM 687 CB GLU A 45 4.615 6.682 -4.271 1.00 25.00 C ATOM 688 CG GLU A 45 5.039 6.576 -5.743 1.00 25.00 C ATOM 689 CD GLU A 45 3.968 5.992 -6.615 1.00 25.00 C ATOM 690 OE1 GLU A 45 3.864 4.816 -6.854 1.00 25.00 O ATOM 691 OE2 GLU A 45 3.178 6.872 -7.118 1.00 25.00 O ATOM 0 H GLU A 45 6.664 5.417 -3.600 1.00 25.00 H new ATOM 0 HA GLU A 45 6.023 8.247 -3.759 1.00 25.00 H new ATOM 0 HB2 GLU A 45 4.346 5.693 -3.901 1.00 25.00 H new ATOM 0 HB3 GLU A 45 3.723 7.304 -4.196 1.00 25.00 H new ATOM 0 HG2 GLU A 45 5.302 7.567 -6.113 1.00 25.00 H new ATOM 0 HG3 GLU A 45 5.936 5.960 -5.815 1.00 25.00 H new ATOM 698 N CYS A 46 5.267 6.522 -1.096 1.00 25.00 N ATOM 699 CA CYS A 46 4.724 6.664 0.263 1.00 25.00 C ATOM 700 C CYS A 46 5.756 6.896 1.367 1.00 25.00 C ATOM 701 O CYS A 46 5.401 7.401 2.423 1.00 25.00 O ATOM 702 CB CYS A 46 3.910 5.423 0.633 1.00 25.00 C ATOM 703 SG CYS A 46 2.401 5.192 -0.363 1.00 25.00 S ATOM 0 H CYS A 46 5.689 5.614 -1.291 1.00 25.00 H new ATOM 0 HA CYS A 46 4.113 7.566 0.216 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.542 4.542 0.523 1.00 25.00 H new ATOM 0 HB3 CYS A 46 3.631 5.486 1.685 1.00 25.00 H new ATOM 708 N CYS A 47 7.009 6.514 1.146 1.00 25.00 N ATOM 709 CA CYS A 47 8.051 6.673 2.172 1.00 25.00 C ATOM 710 C CYS A 47 8.980 7.841 1.850 1.00 25.00 C ATOM 711 O CYS A 47 9.336 8.618 2.731 1.00 25.00 O ATOM 712 CB CYS A 47 8.870 5.384 2.300 1.00 25.00 C ATOM 713 SG CYS A 47 10.259 5.486 3.474 1.00 25.00 S ATOM 0 H CYS A 47 7.333 6.094 0.275 1.00 25.00 H new ATOM 0 HA CYS A 47 7.553 6.884 3.118 1.00 25.00 H new ATOM 0 HB2 CYS A 47 8.207 4.576 2.610 1.00 25.00 H new ATOM 0 HB3 CYS A 47 9.260 5.117 1.318 1.00 25.00 H new ATOM 718 N PHE A 48 9.385 7.964 0.593 1.00 25.00 N ATOM 719 CA PHE A 48 10.289 9.051 0.200 1.00 25.00 C ATOM 720 C PHE A 48 9.487 10.292 -0.188 1.00 25.00 C ATOM 721 O PHE A 48 10.001 11.407 -0.213 1.00 25.00 O ATOM 722 CB PHE A 48 11.190 8.604 -0.954 1.00 25.00 C ATOM 723 CG PHE A 48 11.984 7.340 -0.662 1.00 25.00 C ATOM 724 CD1 PHE A 48 12.343 6.482 -1.717 1.00 25.00 C ATOM 725 CD2 PHE A 48 12.379 6.998 0.654 1.00 25.00 C ATOM 726 CE1 PHE A 48 13.066 5.288 -1.473 1.00 25.00 C ATOM 727 CE2 PHE A 48 13.102 5.807 0.906 1.00 25.00 C ATOM 728 CZ PHE A 48 13.442 4.951 -0.158 1.00 25.00 C ATOM 0 H PHE A 48 9.111 7.339 -0.165 1.00 25.00 H new ATOM 0 HA PHE A 48 10.923 9.304 1.050 1.00 25.00 H new ATOM 0 HB2 PHE A 48 10.575 8.439 -1.839 1.00 25.00 H new ATOM 0 HB3 PHE A 48 11.884 9.410 -1.194 1.00 25.00 H new ATOM 0 HD1 PHE A 48 12.063 6.737 -2.729 1.00 25.00 H new ATOM 0 HD2 PHE A 48 12.126 7.653 1.475 1.00 25.00 H new ATOM 0 HE1 PHE A 48 13.328 4.637 -2.294 1.00 25.00 H new ATOM 0 HE2 PHE A 48 13.393 5.555 1.915 1.00 25.00 H new ATOM 0 HZ PHE A 48 13.989 4.039 0.033 1.00 25.00 H new ATOM 738 N ARG A 49 8.206 10.079 -0.441 1.00 25.00 N ATOM 739 CA ARG A 49 7.236 11.152 -0.685 1.00 25.00 C ATOM 740 C ARG A 49 6.013 10.803 0.138 1.00 25.00 C ATOM 741 O ARG A 49 5.977 9.748 0.746 1.00 25.00 O ATOM 742 CB ARG A 49 6.848 11.214 -2.161 1.00 25.00 C ATOM 743 CG ARG A 49 7.951 11.693 -3.060 1.00 25.00 C ATOM 744 CD ARG A 49 7.444 11.801 -4.483 1.00 25.00 C ATOM 745 NE ARG A 49 8.504 12.238 -5.406 1.00 25.00 N ATOM 746 CZ ARG A 49 8.327 12.530 -6.689 1.00 25.00 C ATOM 747 NH1 ARG A 49 7.150 12.472 -7.264 1.00 25.00 N ATOM 748 NH2 ARG A 49 9.353 12.898 -7.405 1.00 25.00 N ATOM 0 H ARG A 49 7.798 9.145 -0.485 1.00 25.00 H new ATOM 0 HA ARG A 49 7.657 12.121 -0.415 1.00 25.00 H new ATOM 0 HB2 ARG A 49 6.533 10.222 -2.486 1.00 25.00 H new ATOM 0 HB3 ARG A 49 5.988 11.875 -2.273 1.00 25.00 H new ATOM 0 HG2 ARG A 49 8.315 12.662 -2.719 1.00 25.00 H new ATOM 0 HG3 ARG A 49 8.794 11.003 -3.016 1.00 25.00 H new ATOM 0 HD2 ARG A 49 7.056 10.835 -4.806 1.00 25.00 H new ATOM 0 HD3 ARG A 49 6.614 12.507 -4.521 1.00 25.00 H new ATOM 0 HE ARG A 49 9.449 12.323 -5.031 1.00 25.00 H new ATOM 0 HH11 ARG A 49 6.331 12.195 -6.723 1.00 25.00 H new ATOM 0 HH12 ARG A 49 7.053 12.704 -8.253 1.00 25.00 H new ATOM 0 HH21 ARG A 49 10.277 12.959 -6.978 1.00 25.00 H new ATOM 0 HH22 ARG A 49 9.231 13.125 -8.392 1.00 25.00 H new ATOM 762 N SER A 50 5.010 11.661 0.117 1.00 25.00 N ATOM 763 CA SER A 50 3.715 11.349 0.719 1.00 25.00 C ATOM 764 C SER A 50 2.828 10.794 -0.399 1.00 25.00 C ATOM 765 O SER A 50 3.045 11.105 -1.574 1.00 25.00 O ATOM 766 CB SER A 50 3.098 12.611 1.320 1.00 25.00 C ATOM 767 OG SER A 50 3.083 13.662 0.368 1.00 25.00 O ATOM 0 H SER A 50 5.062 12.585 -0.311 1.00 25.00 H new ATOM 0 HA SER A 50 3.819 10.621 1.524 1.00 25.00 H new ATOM 0 HB2 SER A 50 2.082 12.402 1.654 1.00 25.00 H new ATOM 0 HB3 SER A 50 3.666 12.917 2.199 1.00 25.00 H new ATOM 0 HG SER A 50 2.683 14.461 0.770 1.00 25.00 H new ATOM 773 N CYS A 51 1.844 9.972 -0.049 1.00 25.00 N ATOM 774 CA CYS A 51 0.985 9.333 -1.047 1.00 25.00 C ATOM 775 C CYS A 51 -0.479 9.322 -0.628 1.00 25.00 C ATOM 776 O CYS A 51 -0.809 9.573 0.526 1.00 25.00 O ATOM 777 CB CYS A 51 1.452 7.899 -1.288 1.00 25.00 C ATOM 778 SG CYS A 51 1.238 6.781 0.130 1.00 25.00 S ATOM 0 H CYS A 51 1.620 9.731 0.916 1.00 25.00 H new ATOM 0 HA CYS A 51 1.064 9.917 -1.964 1.00 25.00 H new ATOM 0 HB2 CYS A 51 0.907 7.492 -2.139 1.00 25.00 H new ATOM 0 HB3 CYS A 51 2.506 7.916 -1.564 1.00 25.00 H new ATOM 783 N ASP A 52 -1.348 9.033 -1.586 1.00 25.00 N ATOM 784 CA ASP A 52 -2.791 9.002 -1.357 1.00 25.00 C ATOM 785 C ASP A 52 -3.287 7.570 -1.177 1.00 25.00 C ATOM 786 O ASP A 52 -2.693 6.629 -1.698 1.00 25.00 O ATOM 787 CB ASP A 52 -3.511 9.627 -2.552 1.00 25.00 C ATOM 788 CG ASP A 52 -3.166 11.075 -2.731 1.00 25.00 C ATOM 789 OD1 ASP A 52 -3.259 11.889 -1.868 1.00 25.00 O ATOM 790 OD2 ASP A 52 -2.741 11.361 -3.909 1.00 25.00 O ATOM 0 H ASP A 52 -1.076 8.813 -2.544 1.00 25.00 H new ATOM 0 HA ASP A 52 -3.003 9.565 -0.448 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -3.250 9.079 -3.458 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -4.588 9.526 -2.418 1.00 25.00 H new ATOM 795 N LEU A 53 -4.417 7.424 -0.495 1.00 25.00 N ATOM 796 CA LEU A 53 -5.025 6.114 -0.241 1.00 25.00 C ATOM 797 C LEU A 53 -5.345 5.336 -1.521 1.00 25.00 C ATOM 798 O LEU A 53 -5.060 4.148 -1.619 1.00 25.00 O ATOM 799 CB LEU A 53 -6.321 6.321 0.553 1.00 25.00 C ATOM 800 CG LEU A 53 -7.050 5.054 1.031 1.00 25.00 C ATOM 801 CD1 LEU A 53 -6.249 4.342 2.109 1.00 25.00 C ATOM 802 CD2 LEU A 53 -8.424 5.434 1.570 1.00 25.00 C ATOM 0 H LEU A 53 -4.940 8.206 -0.101 1.00 25.00 H new ATOM 0 HA LEU A 53 -4.299 5.523 0.317 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -6.091 6.931 1.427 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -7.010 6.897 -0.065 1.00 25.00 H new ATOM 0 HG LEU A 53 -7.162 4.375 0.186 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -6.785 3.449 2.431 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -5.276 4.057 1.710 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -6.111 5.009 2.960 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -8.942 4.537 1.909 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -8.309 6.125 2.405 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -9.005 5.912 0.781 1.00 25.00 H new ATOM 814 N ALA A 54 -5.921 6.015 -2.505 1.00 25.00 N ATOM 815 CA ALA A 54 -6.291 5.369 -3.765 1.00 25.00 C ATOM 816 C ALA A 54 -5.064 4.806 -4.481 1.00 25.00 C ATOM 817 O ALA A 54 -5.111 3.729 -5.048 1.00 25.00 O ATOM 818 CB ALA A 54 -7.019 6.376 -4.669 1.00 25.00 C ATOM 0 H ALA A 54 -6.143 7.010 -2.459 1.00 25.00 H new ATOM 0 HA ALA A 54 -6.957 4.536 -3.541 1.00 25.00 H new ATOM 0 HB1 ALA A 54 -7.293 5.892 -5.606 1.00 25.00 H new ATOM 0 HB2 ALA A 54 -7.919 6.731 -4.167 1.00 25.00 H new ATOM 0 HB3 ALA A 54 -6.362 7.221 -4.876 1.00 25.00 H new ATOM 824 N LEU A 55 -3.959 5.532 -4.423 1.00 25.00 N ATOM 825 CA LEU A 55 -2.710 5.072 -5.024 1.00 25.00 C ATOM 826 C LEU A 55 -2.215 3.841 -4.274 1.00 25.00 C ATOM 827 O LEU A 55 -1.805 2.858 -4.877 1.00 25.00 O ATOM 828 CB LEU A 55 -1.670 6.199 -4.965 1.00 25.00 C ATOM 829 CG LEU A 55 -0.177 5.825 -4.965 1.00 25.00 C ATOM 830 CD1 LEU A 55 0.251 5.027 -6.185 1.00 25.00 C ATOM 831 CD2 LEU A 55 0.622 7.105 -4.892 1.00 25.00 C ATOM 0 H LEU A 55 -3.898 6.442 -3.967 1.00 25.00 H new ATOM 0 HA LEU A 55 -2.873 4.804 -6.068 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -1.846 6.857 -5.816 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -1.865 6.782 -4.065 1.00 25.00 H new ATOM 0 HG LEU A 55 0.005 5.181 -4.105 1.00 25.00 H new ATOM 0 HD11 LEU A 55 1.315 4.800 -6.116 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.317 4.098 -6.229 1.00 25.00 H new ATOM 0 HD13 LEU A 55 0.062 5.611 -7.086 1.00 25.00 H new ATOM 0 HD21 LEU A 55 1.686 6.870 -4.890 1.00 25.00 H new ATOM 0 HD22 LEU A 55 0.389 7.729 -5.755 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.368 7.641 -3.978 1.00 25.00 H new ATOM 843 N LEU A 56 -2.274 3.879 -2.955 1.00 25.00 N ATOM 844 CA LEU A 56 -1.802 2.763 -2.147 1.00 25.00 C ATOM 845 C LEU A 56 -2.554 1.468 -2.494 1.00 25.00 C ATOM 846 O LEU A 56 -1.962 0.394 -2.585 1.00 25.00 O ATOM 847 CB LEU A 56 -1.947 3.122 -0.668 1.00 25.00 C ATOM 848 CG LEU A 56 -1.053 2.305 0.268 1.00 25.00 C ATOM 849 CD1 LEU A 56 -0.575 3.183 1.411 1.00 25.00 C ATOM 850 CD2 LEU A 56 -1.774 1.100 0.825 1.00 25.00 C ATOM 0 H LEU A 56 -2.642 4.666 -2.420 1.00 25.00 H new ATOM 0 HA LEU A 56 -0.750 2.579 -2.364 1.00 25.00 H new ATOM 0 HB2 LEU A 56 -1.718 4.180 -0.539 1.00 25.00 H new ATOM 0 HB3 LEU A 56 -2.987 2.982 -0.372 1.00 25.00 H new ATOM 0 HG LEU A 56 -0.203 1.947 -0.313 1.00 25.00 H new ATOM 0 HD11 LEU A 56 0.061 2.600 2.076 1.00 25.00 H new ATOM 0 HD12 LEU A 56 -0.008 4.024 1.011 1.00 25.00 H new ATOM 0 HD13 LEU A 56 -1.435 3.557 1.967 1.00 25.00 H new ATOM 0 HD21 LEU A 56 -1.104 0.548 1.484 1.00 25.00 H new ATOM 0 HD22 LEU A 56 -2.648 1.427 1.388 1.00 25.00 H new ATOM 0 HD23 LEU A 56 -2.090 0.454 0.006 1.00 25.00 H new ATOM 862 N GLU A 57 -3.841 1.607 -2.775 1.00 25.00 N ATOM 863 CA GLU A 57 -4.702 0.486 -3.156 1.00 25.00 C ATOM 864 C GLU A 57 -4.300 -0.203 -4.473 1.00 25.00 C ATOM 865 O GLU A 57 -4.674 -1.342 -4.730 1.00 25.00 O ATOM 866 CB GLU A 57 -6.137 1.013 -3.268 1.00 25.00 C ATOM 867 CG GLU A 57 -7.209 -0.058 -3.254 1.00 25.00 C ATOM 868 CD GLU A 57 -8.578 0.507 -3.012 1.00 25.00 C ATOM 869 OE1 GLU A 57 -9.003 1.495 -3.550 1.00 25.00 O ATOM 870 OE2 GLU A 57 -9.258 -0.150 -2.143 1.00 25.00 O ATOM 0 H GLU A 57 -4.325 2.504 -2.746 1.00 25.00 H new ATOM 0 HA GLU A 57 -4.602 -0.278 -2.385 1.00 25.00 H new ATOM 0 HB2 GLU A 57 -6.321 1.703 -2.444 1.00 25.00 H new ATOM 0 HB3 GLU A 57 -6.228 1.586 -4.191 1.00 25.00 H new ATOM 0 HG2 GLU A 57 -7.201 -0.589 -4.206 1.00 25.00 H new ATOM 0 HG3 GLU A 57 -6.978 -0.789 -2.479 1.00 25.00 H new ATOM 878 N THR A 58 -3.531 0.473 -5.310 1.00 25.00 N ATOM 879 CA THR A 58 -3.134 -0.102 -6.600 1.00 25.00 C ATOM 880 C THR A 58 -2.050 -1.173 -6.464 1.00 25.00 C ATOM 881 O THR A 58 -1.792 -1.917 -7.402 1.00 25.00 O ATOM 882 CB THR A 58 -2.675 0.982 -7.599 1.00 25.00 C ATOM 883 OG1 THR A 58 -1.454 1.579 -7.158 1.00 25.00 O ATOM 884 CG2 THR A 58 -3.738 2.073 -7.722 1.00 25.00 C ATOM 0 H THR A 58 -3.169 1.409 -5.130 1.00 25.00 H new ATOM 0 HA THR A 58 -4.031 -0.582 -6.992 1.00 25.00 H new ATOM 0 HB THR A 58 -2.522 0.506 -8.568 1.00 25.00 H new ATOM 0 HG1 THR A 58 -1.638 2.190 -6.414 1.00 25.00 H new ATOM 0 HG21 THR A 58 -3.401 2.831 -8.429 1.00 25.00 H new ATOM 0 HG22 THR A 58 -4.671 1.634 -8.077 1.00 25.00 H new ATOM 0 HG23 THR A 58 -3.901 2.533 -6.748 1.00 25.00 H new ATOM 892 N TYR A 59 -1.415 -1.244 -5.299 1.00 25.00 N ATOM 893 CA TYR A 59 -0.369 -2.242 -5.047 1.00 25.00 C ATOM 894 C TYR A 59 -0.940 -3.508 -4.391 1.00 25.00 C ATOM 895 O TYR A 59 -0.195 -4.418 -4.004 1.00 25.00 O ATOM 896 CB TYR A 59 0.739 -1.636 -4.182 1.00 25.00 C ATOM 897 CG TYR A 59 1.613 -0.665 -4.953 1.00 25.00 C ATOM 898 CD1 TYR A 59 2.788 -1.112 -5.596 1.00 25.00 C ATOM 899 CD2 TYR A 59 1.266 0.700 -5.064 1.00 25.00 C ATOM 900 CE1 TYR A 59 3.607 -0.210 -6.333 1.00 25.00 C ATOM 901 CE2 TYR A 59 2.089 1.605 -5.794 1.00 25.00 C ATOM 902 CZ TYR A 59 3.246 1.139 -6.423 1.00 25.00 C ATOM 903 OH TYR A 59 4.048 2.008 -7.124 1.00 25.00 O ATOM 0 H TYR A 59 -1.603 -0.624 -4.511 1.00 25.00 H new ATOM 0 HA TYR A 59 0.053 -2.537 -6.008 1.00 25.00 H new ATOM 0 HB2 TYR A 59 0.291 -1.121 -3.332 1.00 25.00 H new ATOM 0 HB3 TYR A 59 1.359 -2.436 -3.779 1.00 25.00 H new ATOM 0 HD1 TYR A 59 3.069 -2.152 -5.528 1.00 25.00 H new ATOM 0 HD2 TYR A 59 0.366 1.062 -4.590 1.00 25.00 H new ATOM 0 HE1 TYR A 59 4.503 -0.565 -6.820 1.00 25.00 H new ATOM 0 HE2 TYR A 59 1.819 2.649 -5.861 1.00 25.00 H new ATOM 0 HH TYR A 59 3.831 2.930 -6.871 1.00 25.00 H new ATOM 913 N CYS A 60 -2.261 -3.586 -4.306 1.00 25.00 N ATOM 914 CA CYS A 60 -2.917 -4.798 -3.832 1.00 25.00 C ATOM 915 C CYS A 60 -2.810 -5.871 -4.923 1.00 25.00 C ATOM 916 O CYS A 60 -2.652 -5.555 -6.103 1.00 25.00 O ATOM 917 CB CYS A 60 -4.383 -4.525 -3.501 1.00 25.00 C ATOM 918 SG CYS A 60 -4.651 -3.217 -2.256 1.00 25.00 S ATOM 0 H CYS A 60 -2.897 -2.829 -4.557 1.00 25.00 H new ATOM 0 HA CYS A 60 -2.428 -5.143 -2.921 1.00 25.00 H new ATOM 0 HB2 CYS A 60 -4.903 -4.248 -4.418 1.00 25.00 H new ATOM 0 HB3 CYS A 60 -4.839 -5.448 -3.143 1.00 25.00 H new ATOM 923 N ALA A 61 -2.874 -7.132 -4.530 1.00 25.00 N ATOM 924 CA ALA A 61 -2.714 -8.244 -5.463 1.00 25.00 C ATOM 925 C ALA A 61 -4.065 -8.714 -6.025 1.00 25.00 C ATOM 926 O ALA A 61 -5.100 -8.074 -5.834 1.00 25.00 O ATOM 927 CB ALA A 61 -1.985 -9.406 -4.758 1.00 25.00 C ATOM 0 H ALA A 61 -3.037 -7.417 -3.564 1.00 25.00 H new ATOM 0 HA ALA A 61 -2.117 -7.900 -6.308 1.00 25.00 H new ATOM 0 HB1 ALA A 61 -1.865 -10.236 -5.454 1.00 25.00 H new ATOM 0 HB2 ALA A 61 -1.004 -9.070 -4.422 1.00 25.00 H new ATOM 0 HB3 ALA A 61 -2.570 -9.734 -3.899 1.00 25.00 H new ATOM 933 N THR A 62 -4.046 -9.845 -6.713 1.00 25.00 N ATOM 934 CA THR A 62 -5.252 -10.457 -7.249 1.00 25.00 C ATOM 935 C THR A 62 -5.795 -11.432 -6.200 1.00 25.00 C ATOM 936 O THR A 62 -5.027 -12.193 -5.611 1.00 25.00 O ATOM 937 CB THR A 62 -4.930 -11.243 -8.528 1.00 25.00 C ATOM 938 OG1 THR A 62 -3.809 -12.096 -8.283 1.00 25.00 O ATOM 939 CG2 THR A 62 -4.561 -10.301 -9.666 1.00 25.00 C ATOM 0 H THR A 62 -3.192 -10.365 -6.916 1.00 25.00 H new ATOM 0 HA THR A 62 -5.981 -9.681 -7.484 1.00 25.00 H new ATOM 0 HB THR A 62 -5.812 -11.820 -8.806 1.00 25.00 H new ATOM 0 HG1 THR A 62 -3.905 -12.517 -7.403 1.00 25.00 H new ATOM 0 HG21 THR A 62 -4.337 -10.882 -10.561 1.00 25.00 H new ATOM 0 HG22 THR A 62 -5.396 -9.630 -9.868 1.00 25.00 H new ATOM 0 HG23 THR A 62 -3.685 -9.716 -9.385 1.00 25.00 H new ATOM 947 N PRO A 63 -7.114 -11.417 -5.942 1.00 25.00 N ATOM 948 CA PRO A 63 -7.655 -12.295 -4.898 1.00 25.00 C ATOM 949 C PRO A 63 -7.601 -13.784 -5.197 1.00 25.00 C ATOM 950 O PRO A 63 -7.736 -14.229 -6.342 1.00 25.00 O ATOM 951 CB PRO A 63 -9.105 -11.834 -4.774 1.00 25.00 C ATOM 952 CG PRO A 63 -9.434 -11.261 -6.096 1.00 25.00 C ATOM 953 CD PRO A 63 -8.170 -10.582 -6.541 1.00 25.00 C ATOM 0 HA PRO A 63 -7.057 -12.208 -3.991 1.00 25.00 H new ATOM 0 HB2 PRO A 63 -9.765 -12.666 -4.528 1.00 25.00 H new ATOM 0 HB3 PRO A 63 -9.218 -11.093 -3.983 1.00 25.00 H new ATOM 0 HG2 PRO A 63 -9.736 -12.036 -6.800 1.00 25.00 H new ATOM 0 HG3 PRO A 63 -10.261 -10.554 -6.027 1.00 25.00 H new ATOM 0 HD2 PRO A 63 -8.091 -10.550 -7.628 1.00 25.00 H new ATOM 0 HD3 PRO A 63 -8.119 -9.552 -6.187 1.00 25.00 H new ATOM 961 N ALA A 64 -7.424 -14.556 -4.137 1.00 25.00 N ATOM 962 CA ALA A 64 -7.327 -16.008 -4.230 1.00 25.00 C ATOM 963 C ALA A 64 -8.701 -16.653 -4.026 1.00 25.00 C ATOM 964 O ALA A 64 -9.003 -17.157 -2.946 1.00 25.00 O ATOM 965 CB ALA A 64 -6.323 -16.529 -3.192 1.00 25.00 C ATOM 0 H ALA A 64 -7.343 -14.196 -3.186 1.00 25.00 H new ATOM 0 HA ALA A 64 -6.974 -16.276 -5.226 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -6.254 -17.614 -3.265 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -5.344 -16.090 -3.381 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -6.658 -16.254 -2.192 1.00 25.00 H new ATOM 971 N LYS A 65 -9.524 -16.621 -5.074 1.00 25.00 N ATOM 972 CA LYS A 65 -10.882 -17.201 -5.047 1.00 25.00 C ATOM 973 C LYS A 65 -11.718 -16.572 -3.919 1.00 25.00 C ATOM 974 O LYS A 65 -12.424 -17.256 -3.175 1.00 25.00 O ATOM 975 CB LYS A 65 -10.807 -18.732 -4.896 1.00 25.00 C ATOM 976 CG LYS A 65 -12.092 -19.480 -5.303 1.00 25.00 C ATOM 977 CD LYS A 65 -12.172 -20.861 -4.648 1.00 25.00 C ATOM 978 CE LYS A 65 -12.543 -20.750 -3.160 1.00 25.00 C ATOM 979 NZ LYS A 65 -12.598 -22.095 -2.494 1.00 25.00 N ATOM 0 H LYS A 65 -9.276 -16.195 -5.967 1.00 25.00 H new ATOM 0 HA LYS A 65 -11.376 -16.977 -5.992 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -9.979 -19.104 -5.500 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -10.576 -18.971 -3.858 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -12.963 -18.890 -5.017 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -12.122 -19.589 -6.387 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -12.913 -21.470 -5.166 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -11.214 -21.371 -4.750 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -11.813 -20.122 -2.650 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -13.510 -20.257 -3.063 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -12.851 -21.976 -1.492 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -13.313 -22.686 -2.964 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -11.668 -22.555 -2.564 1.00 25.00 H new ATOM 993 N SER A 66 -11.641 -15.257 -3.823 1.00 25.00 N ATOM 994 CA SER A 66 -12.394 -14.489 -2.853 1.00 25.00 C ATOM 995 C SER A 66 -12.955 -13.319 -3.642 1.00 25.00 C ATOM 996 O SER A 66 -12.515 -13.039 -4.759 1.00 25.00 O ATOM 997 CB SER A 66 -11.485 -14.030 -1.711 1.00 25.00 C ATOM 998 OG SER A 66 -10.383 -13.298 -2.213 1.00 25.00 O ATOM 0 H SER A 66 -11.046 -14.687 -4.425 1.00 25.00 H new ATOM 0 HA SER A 66 -13.189 -15.066 -2.380 1.00 25.00 H new ATOM 0 HB2 SER A 66 -12.052 -13.412 -1.014 1.00 25.00 H new ATOM 0 HB3 SER A 66 -11.129 -14.896 -1.152 1.00 25.00 H new ATOM 0 HG SER A 66 -10.464 -12.359 -1.943 1.00 25.00 H new ATOM 1004 N GLU A 67 -13.989 -12.693 -3.098 1.00 25.00 N ATOM 1005 CA GLU A 67 -14.712 -11.601 -3.764 1.00 25.00 C ATOM 1006 C GLU A 67 -14.417 -10.262 -3.089 1.00 25.00 C ATOM 1007 O GLU A 67 -13.562 -9.530 -3.726 1.00 25.00 O ATOM 1008 CB GLU A 67 -16.238 -11.891 -3.810 1.00 25.00 C ATOM 1009 CG GLU A 67 -16.549 -13.167 -4.626 1.00 25.00 C ATOM 1010 CD GLU A 67 -18.030 -13.455 -4.625 1.00 25.00 C ATOM 1011 OE1 GLU A 67 -18.535 -14.437 -4.135 1.00 25.00 O ATOM 1012 OE2 GLU A 67 -18.743 -12.558 -5.214 1.00 25.00 O ATOM 0 H GLU A 67 -14.358 -12.925 -2.176 1.00 25.00 H new ATOM 0 HA GLU A 67 -14.359 -11.537 -4.793 1.00 25.00 H new ATOM 0 HB2 GLU A 67 -16.618 -12.006 -2.795 1.00 25.00 H new ATOM 0 HB3 GLU A 67 -16.758 -11.040 -4.251 1.00 25.00 H new ATOM 0 HG2 GLU A 67 -16.199 -13.043 -5.651 1.00 25.00 H new ATOM 0 HG3 GLU A 67 -16.009 -14.015 -4.204 1.00 25.00 H new TER 1019 GLU A 67