USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 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 Set 1.1: A 29 SER OG : rot -24:sc= 0.861 USER MOD Set 1.2: A 33 SER OG : rot -119:sc= 0.271 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 120:sc= -0.334 USER MOD Single : A 5 SER OG : rot 49:sc= 0.396 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 16 THR OG1 : rot 148:sc= 0.0181 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.263 F(o=-0.87,f=-0.26) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -56:sc= 0.969 USER MOD Single : A 58 THR OG1 : rot 180:sc= -2.13! USER MOD Single : A 59 TYR OH : rot -124:sc= 0.759! USER MOD Single : A 62 THR OG1 : rot -19:sc= 1.51 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 11.069 -10.607 14.353 1.00 0.00 N ATOM 2 CA ALA A 1 10.269 -9.621 15.138 1.00 0.00 C ATOM 3 C ALA A 1 9.216 -9.048 14.186 1.00 0.00 C ATOM 4 O ALA A 1 8.084 -9.485 14.204 1.00 0.00 O ATOM 5 CB ALA A 1 11.184 -8.483 15.671 1.00 0.00 C ATOM 0 H1 ALA A 1 11.801 -11.024 14.963 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.443 -11.359 13.999 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.521 -10.126 13.549 1.00 0.00 H new ATOM 0 HA ALA A 1 9.802 -10.098 15.999 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.586 -7.772 16.241 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.955 -8.907 16.315 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.654 -7.971 14.831 1.00 0.00 H new ATOM 13 N TYR A 2 9.606 -8.095 13.379 1.00 0.00 N ATOM 14 CA TYR A 2 8.639 -7.486 12.411 1.00 0.00 C ATOM 15 C TYR A 2 8.407 -8.555 11.326 1.00 0.00 C ATOM 16 O TYR A 2 9.065 -9.581 11.342 1.00 0.00 O ATOM 17 CB TYR A 2 9.285 -6.212 11.813 1.00 0.00 C ATOM 18 CG TYR A 2 8.249 -5.336 11.084 1.00 0.00 C ATOM 19 CD1 TYR A 2 7.434 -4.492 11.818 1.00 0.00 C ATOM 20 CD2 TYR A 2 8.112 -5.359 9.702 1.00 0.00 C ATOM 21 CE1 TYR A 2 6.507 -3.688 11.184 1.00 0.00 C ATOM 22 CE2 TYR A 2 7.181 -4.553 9.073 1.00 0.00 C ATOM 23 CZ TYR A 2 6.371 -3.711 9.815 1.00 0.00 C ATOM 24 OH TYR A 2 5.433 -2.885 9.229 1.00 0.00 O ATOM 0 H TYR A 2 10.551 -7.711 13.347 1.00 0.00 H new ATOM 0 HA TYR A 2 7.694 -7.198 12.871 1.00 0.00 H new ATOM 0 HB2 TYR A 2 9.754 -5.634 12.609 1.00 0.00 H new ATOM 0 HB3 TYR A 2 10.075 -6.497 11.118 1.00 0.00 H new ATOM 0 HD1 TYR A 2 7.523 -4.462 12.894 1.00 0.00 H new ATOM 0 HD2 TYR A 2 8.739 -6.013 9.113 1.00 0.00 H new ATOM 0 HE1 TYR A 2 5.880 -3.032 11.771 1.00 0.00 H new ATOM 0 HE2 TYR A 2 7.085 -4.581 7.998 1.00 0.00 H new ATOM 0 HH TYR A 2 5.880 -2.270 8.610 1.00 0.00 H new ATOM 34 N ARG A 3 7.491 -8.299 10.431 1.00 0.00 N ATOM 35 CA ARG A 3 7.210 -9.288 9.341 1.00 0.00 C ATOM 36 C ARG A 3 8.351 -9.166 8.309 1.00 0.00 C ATOM 37 O ARG A 3 8.961 -8.118 8.232 1.00 0.00 O ATOM 38 CB ARG A 3 5.840 -8.953 8.676 1.00 0.00 C ATOM 39 CG ARG A 3 4.691 -9.872 9.181 1.00 0.00 C ATOM 40 CD ARG A 3 4.436 -9.776 10.709 1.00 0.00 C ATOM 41 NE ARG A 3 3.379 -10.797 11.029 1.00 0.00 N ATOM 42 CZ ARG A 3 2.791 -10.825 12.187 1.00 0.00 C ATOM 43 NH1 ARG A 3 1.788 -10.021 12.364 1.00 0.00 N ATOM 44 NH2 ARG A 3 3.241 -11.649 13.085 1.00 0.00 N ATOM 0 H ARG A 3 6.925 -7.451 10.404 1.00 0.00 H new ATOM 0 HA ARG A 3 7.159 -10.304 9.733 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.585 -7.913 8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 3 5.931 -9.052 7.594 1.00 0.00 H new ATOM 0 HG2 ARG A 3 3.773 -9.614 8.652 1.00 0.00 H new ATOM 0 HG3 ARG A 3 4.926 -10.905 8.926 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.350 -9.975 11.268 1.00 0.00 H new ATOM 0 HD3 ARG A 3 4.105 -8.775 10.985 1.00 0.00 H new ATOM 0 HE ARG A 3 3.118 -11.483 10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.492 -9.402 11.610 1.00 0.00 H new ATOM 0 HH12 ARG A 3 1.296 -10.009 13.257 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.036 -12.252 12.872 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.800 -11.693 14.003 1.00 0.00 H new ATOM 58 N PRO A 4 8.620 -10.197 7.544 1.00 0.00 N ATOM 59 CA PRO A 4 9.701 -10.177 6.510 1.00 0.00 C ATOM 60 C PRO A 4 9.290 -9.349 5.276 1.00 0.00 C ATOM 61 O PRO A 4 9.471 -9.795 4.160 1.00 0.00 O ATOM 62 CB PRO A 4 9.928 -11.658 6.210 1.00 0.00 C ATOM 63 CG PRO A 4 8.489 -12.225 6.323 1.00 0.00 C ATOM 64 CD PRO A 4 7.921 -11.517 7.579 1.00 0.00 C ATOM 0 HA PRO A 4 10.618 -9.691 6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.353 -11.814 5.219 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.608 -12.121 6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.898 -12.002 5.434 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.492 -13.309 6.440 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.838 -11.405 7.528 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.142 -12.070 8.492 1.00 0.00 H new ATOM 72 N SER A 5 8.760 -8.178 5.518 1.00 0.00 N ATOM 73 CA SER A 5 8.319 -7.297 4.393 1.00 0.00 C ATOM 74 C SER A 5 9.375 -7.204 3.287 1.00 0.00 C ATOM 75 O SER A 5 10.349 -6.478 3.396 1.00 0.00 O ATOM 76 CB SER A 5 8.010 -5.904 4.971 1.00 0.00 C ATOM 77 OG SER A 5 9.136 -5.631 5.794 1.00 0.00 O ATOM 0 H SER A 5 8.613 -7.792 6.450 1.00 0.00 H new ATOM 0 HA SER A 5 7.429 -7.725 3.932 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.898 -5.158 4.184 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.083 -5.904 5.545 1.00 0.00 H new ATOM 0 HG SER A 5 9.959 -5.816 5.295 1.00 0.00 H new ATOM 83 N GLU A 6 9.111 -7.979 2.276 1.00 0.00 N ATOM 84 CA GLU A 6 9.969 -8.080 1.070 1.00 0.00 C ATOM 85 C GLU A 6 9.734 -6.828 0.223 1.00 0.00 C ATOM 86 O GLU A 6 8.984 -5.964 0.622 1.00 0.00 O ATOM 87 CB GLU A 6 9.577 -9.388 0.294 1.00 0.00 C ATOM 88 CG GLU A 6 8.029 -9.571 0.091 1.00 0.00 C ATOM 89 CD GLU A 6 7.309 -10.075 1.353 1.00 0.00 C ATOM 90 OE1 GLU A 6 7.495 -11.233 1.685 1.00 0.00 O ATOM 91 OE2 GLU A 6 6.607 -9.251 1.923 1.00 0.00 O ATOM 0 H GLU A 6 8.287 -8.579 2.239 1.00 0.00 H new ATOM 0 HA GLU A 6 11.028 -8.138 1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.062 -9.379 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.967 -10.250 0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.594 -8.619 -0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.856 -10.274 -0.724 1.00 0.00 H new ATOM 98 N THR A 7 10.364 -6.735 -0.918 1.00 0.00 N ATOM 99 CA THR A 7 10.146 -5.525 -1.757 1.00 0.00 C ATOM 100 C THR A 7 9.073 -5.838 -2.784 1.00 0.00 C ATOM 101 O THR A 7 8.000 -5.293 -2.683 1.00 0.00 O ATOM 102 CB THR A 7 11.469 -5.147 -2.425 1.00 0.00 C ATOM 103 OG1 THR A 7 11.940 -6.335 -3.074 1.00 0.00 O ATOM 104 CG2 THR A 7 12.531 -4.827 -1.352 1.00 0.00 C ATOM 0 H THR A 7 11.007 -7.430 -1.298 1.00 0.00 H new ATOM 0 HA THR A 7 9.813 -4.680 -1.155 1.00 0.00 H new ATOM 0 HB THR A 7 11.320 -4.296 -3.090 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.791 -6.147 -3.523 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.469 -4.559 -1.837 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.189 -3.993 -0.739 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.686 -5.702 -0.721 1.00 0.00 H new ATOM 112 N LEU A 8 9.378 -6.696 -3.722 1.00 0.00 N ATOM 113 CA LEU A 8 8.394 -7.083 -4.792 1.00 0.00 C ATOM 114 C LEU A 8 8.219 -5.928 -5.799 1.00 0.00 C ATOM 115 O LEU A 8 8.368 -4.774 -5.447 1.00 0.00 O ATOM 116 CB LEU A 8 6.968 -7.321 -4.271 1.00 0.00 C ATOM 117 CG LEU A 8 6.843 -8.175 -2.985 1.00 0.00 C ATOM 118 CD1 LEU A 8 5.862 -7.437 -2.080 1.00 0.00 C ATOM 119 CD2 LEU A 8 6.136 -9.485 -3.305 1.00 0.00 C ATOM 0 H LEU A 8 10.285 -7.157 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 8 8.809 -7.996 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.505 -6.352 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.391 -7.804 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 8 7.830 -8.343 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.733 -7.995 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.251 -6.444 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.900 -7.345 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.050 -10.083 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.141 -9.275 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.710 -10.036 -4.050 1.00 0.00 H new ATOM 131 N CYS A 9 7.913 -6.232 -7.033 1.00 0.00 N ATOM 132 CA CYS A 9 7.719 -5.111 -8.011 1.00 0.00 C ATOM 133 C CYS A 9 7.015 -5.492 -9.313 1.00 0.00 C ATOM 134 O CYS A 9 7.235 -6.550 -9.859 1.00 0.00 O ATOM 135 CB CYS A 9 9.048 -4.474 -8.417 1.00 0.00 C ATOM 136 SG CYS A 9 8.822 -3.059 -9.526 1.00 0.00 S ATOM 0 H CYS A 9 7.791 -7.175 -7.402 1.00 0.00 H new ATOM 0 HA CYS A 9 7.080 -4.422 -7.458 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.581 -4.151 -7.523 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.672 -5.221 -8.908 1.00 0.00 H new ATOM 141 N GLY A 10 6.176 -4.588 -9.756 1.00 0.00 N ATOM 142 CA GLY A 10 5.397 -4.778 -11.026 1.00 0.00 C ATOM 143 C GLY A 10 4.566 -6.058 -11.015 1.00 0.00 C ATOM 144 O GLY A 10 5.009 -7.099 -11.453 1.00 0.00 O ATOM 0 H GLY A 10 5.992 -3.704 -9.281 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.739 -3.922 -11.176 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.085 -4.803 -11.871 1.00 0.00 H new ATOM 148 N GLY A 11 3.364 -5.971 -10.511 1.00 0.00 N ATOM 149 CA GLY A 11 2.499 -7.199 -10.469 1.00 0.00 C ATOM 150 C GLY A 11 2.904 -7.949 -9.209 1.00 0.00 C ATOM 151 O GLY A 11 2.111 -8.144 -8.315 1.00 0.00 O ATOM 0 H GLY A 11 2.944 -5.122 -10.132 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.442 -6.932 -10.443 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.650 -7.814 -11.356 1.00 0.00 H new ATOM 155 N GLU A 12 4.145 -8.345 -9.163 1.00 0.00 N ATOM 156 CA GLU A 12 4.668 -9.085 -7.971 1.00 0.00 C ATOM 157 C GLU A 12 4.304 -8.244 -6.729 1.00 0.00 C ATOM 158 O GLU A 12 3.837 -8.727 -5.719 1.00 0.00 O ATOM 159 CB GLU A 12 6.162 -9.208 -8.200 1.00 0.00 C ATOM 160 CG GLU A 12 6.868 -10.006 -7.104 1.00 0.00 C ATOM 161 CD GLU A 12 8.350 -9.987 -7.461 1.00 0.00 C ATOM 162 OE1 GLU A 12 8.880 -8.886 -7.390 1.00 0.00 O ATOM 163 OE2 GLU A 12 8.851 -11.050 -7.787 1.00 0.00 O ATOM 0 H GLU A 12 4.828 -8.188 -9.904 1.00 0.00 H new ATOM 0 HA GLU A 12 4.252 -10.081 -7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.339 -9.688 -9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.599 -8.211 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.697 -9.560 -6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.490 -11.027 -7.060 1.00 0.00 H new ATOM 170 N LEU A 13 4.532 -6.971 -6.868 1.00 0.00 N ATOM 171 CA LEU A 13 4.232 -6.016 -5.763 1.00 0.00 C ATOM 172 C LEU A 13 2.737 -6.000 -5.453 1.00 0.00 C ATOM 173 O LEU A 13 2.335 -5.691 -4.354 1.00 0.00 O ATOM 174 CB LEU A 13 4.806 -4.643 -6.231 1.00 0.00 C ATOM 175 CG LEU A 13 3.956 -3.395 -5.874 1.00 0.00 C ATOM 176 CD1 LEU A 13 4.841 -2.166 -6.145 1.00 0.00 C ATOM 177 CD2 LEU A 13 2.887 -3.273 -6.919 1.00 0.00 C ATOM 0 H LEU A 13 4.918 -6.544 -7.710 1.00 0.00 H new ATOM 0 HA LEU A 13 4.695 -6.298 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.798 -4.519 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.933 -4.674 -7.313 1.00 0.00 H new ATOM 0 HG LEU A 13 3.577 -3.465 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.286 -1.258 -5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.735 -2.217 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.130 -2.151 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.265 -2.404 -6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.348 -3.155 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.270 -4.171 -6.915 1.00 0.00 H new ATOM 189 N VAL A 14 1.918 -6.340 -6.406 1.00 0.00 N ATOM 190 CA VAL A 14 0.445 -6.339 -6.148 1.00 0.00 C ATOM 191 C VAL A 14 0.177 -7.413 -5.084 1.00 0.00 C ATOM 192 O VAL A 14 -0.790 -7.345 -4.343 1.00 0.00 O ATOM 193 CB VAL A 14 -0.290 -6.659 -7.483 1.00 0.00 C ATOM 194 CG1 VAL A 14 -1.820 -6.702 -7.296 1.00 0.00 C ATOM 195 CG2 VAL A 14 0.059 -5.535 -8.502 1.00 0.00 C ATOM 0 H VAL A 14 2.197 -6.617 -7.347 1.00 0.00 H new ATOM 0 HA VAL A 14 0.085 -5.375 -5.789 1.00 0.00 H new ATOM 0 HB VAL A 14 0.032 -7.639 -7.836 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.297 -6.928 -8.250 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.076 -7.474 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.170 -5.735 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.443 -5.733 -9.449 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.272 -4.573 -8.110 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.137 -5.510 -8.661 1.00 0.00 H new ATOM 205 N ASP A 15 1.053 -8.381 -5.026 1.00 0.00 N ATOM 206 CA ASP A 15 0.843 -9.451 -4.018 1.00 0.00 C ATOM 207 C ASP A 15 1.070 -8.908 -2.602 1.00 0.00 C ATOM 208 O ASP A 15 0.557 -9.460 -1.648 1.00 0.00 O ATOM 209 CB ASP A 15 1.809 -10.621 -4.317 1.00 0.00 C ATOM 210 CG ASP A 15 0.979 -11.909 -4.263 1.00 0.00 C ATOM 211 OD1 ASP A 15 0.618 -12.285 -3.159 1.00 0.00 O ATOM 212 OD2 ASP A 15 0.728 -12.455 -5.326 1.00 0.00 O ATOM 0 H ASP A 15 1.880 -8.474 -5.615 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.185 -9.809 -4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.270 -10.500 -5.297 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.617 -10.651 -3.586 1.00 0.00 H new ATOM 217 N THR A 16 1.814 -7.829 -2.477 1.00 0.00 N ATOM 218 CA THR A 16 2.051 -7.278 -1.100 1.00 0.00 C ATOM 219 C THR A 16 0.709 -6.911 -0.466 1.00 0.00 C ATOM 220 O THR A 16 0.353 -7.269 0.640 1.00 0.00 O ATOM 221 CB THR A 16 2.961 -5.991 -1.139 1.00 0.00 C ATOM 222 OG1 THR A 16 3.170 -5.733 0.242 1.00 0.00 O ATOM 223 CG2 THR A 16 2.283 -4.698 -1.588 1.00 0.00 C ATOM 0 H THR A 16 2.255 -7.320 -3.243 1.00 0.00 H new ATOM 0 HA THR A 16 2.560 -8.044 -0.515 1.00 0.00 H new ATOM 0 HB THR A 16 3.796 -6.193 -1.810 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.055 -5.331 0.369 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.007 -3.884 -1.574 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.896 -4.822 -2.599 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.461 -4.464 -0.911 1.00 0.00 H new ATOM 231 N LEU A 17 -0.033 -6.175 -1.235 1.00 0.00 N ATOM 232 CA LEU A 17 -1.362 -5.725 -0.782 1.00 0.00 C ATOM 233 C LEU A 17 -2.212 -6.953 -0.692 1.00 0.00 C ATOM 234 O LEU A 17 -2.936 -7.099 0.268 1.00 0.00 O ATOM 235 CB LEU A 17 -1.972 -4.820 -1.782 1.00 0.00 C ATOM 236 CG LEU A 17 -1.030 -3.665 -2.120 1.00 0.00 C ATOM 237 CD1 LEU A 17 -1.525 -2.911 -3.285 1.00 0.00 C ATOM 238 CD2 LEU A 17 -1.085 -2.664 -1.019 1.00 0.00 C ATOM 0 H LEU A 17 0.232 -5.864 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.281 -5.196 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.208 -5.379 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.912 -4.426 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.042 -4.093 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.839 -2.094 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.590 -3.575 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.512 -2.506 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.417 -1.834 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.104 -2.292 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.774 -3.133 -0.085 1.00 0.00 H new ATOM 250 N GLN A 18 -2.095 -7.794 -1.691 1.00 0.00 N ATOM 251 CA GLN A 18 -2.910 -9.030 -1.672 1.00 0.00 C ATOM 252 C GLN A 18 -2.715 -9.685 -0.307 1.00 0.00 C ATOM 253 O GLN A 18 -3.663 -10.245 0.204 1.00 0.00 O ATOM 254 CB GLN A 18 -2.442 -9.966 -2.838 1.00 0.00 C ATOM 255 CG GLN A 18 -3.436 -11.143 -3.054 1.00 0.00 C ATOM 256 CD GLN A 18 -3.065 -11.958 -4.313 1.00 0.00 C ATOM 257 OE1 GLN A 18 -1.901 -12.518 -4.409 1.00 0.00 O flip ATOM 258 NE2 GLN A 18 -3.849 -12.091 -5.230 1.00 0.00 N flip ATOM 0 H GLN A 18 -1.483 -7.676 -2.498 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.970 -8.822 -1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.355 -9.388 -3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.451 -10.361 -2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.429 -11.794 -2.180 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.449 -10.754 -3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.772 -11.660 -5.179 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.585 -12.634 -6.052 1.00 0.00 H new ATOM 267 N PHE A 19 -1.537 -9.613 0.266 1.00 0.00 N ATOM 268 CA PHE A 19 -1.423 -10.264 1.597 1.00 0.00 C ATOM 269 C PHE A 19 -1.925 -9.278 2.663 1.00 0.00 C ATOM 270 O PHE A 19 -2.636 -9.716 3.549 1.00 0.00 O ATOM 271 CB PHE A 19 0.082 -10.702 1.897 1.00 0.00 C ATOM 272 CG PHE A 19 1.051 -9.575 2.308 1.00 0.00 C ATOM 273 CD1 PHE A 19 0.861 -8.833 3.463 1.00 0.00 C ATOM 274 CD2 PHE A 19 2.135 -9.282 1.508 1.00 0.00 C ATOM 275 CE1 PHE A 19 1.725 -7.822 3.807 1.00 0.00 C ATOM 276 CE2 PHE A 19 3.005 -8.268 1.854 1.00 0.00 C ATOM 277 CZ PHE A 19 2.802 -7.543 2.995 1.00 0.00 C ATOM 0 H PHE A 19 -0.701 -9.161 -0.105 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.030 -11.169 1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.069 -11.449 2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.481 -11.189 1.007 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.020 -9.053 4.103 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.304 -9.850 0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.561 -7.250 4.708 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.851 -8.046 1.220 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.487 -6.751 3.260 1.00 0.00 H new ATOM 287 N VAL A 20 -1.591 -7.996 2.620 1.00 0.00 N ATOM 288 CA VAL A 20 -2.110 -7.111 3.690 1.00 0.00 C ATOM 289 C VAL A 20 -3.513 -6.527 3.526 1.00 0.00 C ATOM 290 O VAL A 20 -4.299 -6.614 4.450 1.00 0.00 O ATOM 291 CB VAL A 20 -1.057 -5.997 3.858 1.00 0.00 C ATOM 292 CG1 VAL A 20 -1.395 -4.662 3.175 1.00 0.00 C ATOM 293 CG2 VAL A 20 -0.838 -5.793 5.317 1.00 0.00 C ATOM 0 H VAL A 20 -1.004 -7.553 1.913 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.251 -7.734 4.574 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.154 -6.335 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.591 -3.948 3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.508 -4.820 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.326 -4.270 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.096 -5.009 5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.776 -5.500 5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.481 -6.721 5.765 1.00 0.00 H new ATOM 303 N CYS A 21 -3.808 -5.937 2.387 1.00 0.00 N ATOM 304 CA CYS A 21 -5.165 -5.358 2.212 1.00 0.00 C ATOM 305 C CYS A 21 -6.321 -6.258 2.718 1.00 0.00 C ATOM 306 O CYS A 21 -7.009 -5.920 3.664 1.00 0.00 O ATOM 307 CB CYS A 21 -5.298 -5.033 0.749 1.00 0.00 C ATOM 308 SG CYS A 21 -6.966 -4.630 0.180 1.00 0.00 S ATOM 0 H CYS A 21 -3.177 -5.837 1.592 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.258 -4.468 2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.644 -4.191 0.522 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.934 -5.884 0.173 1.00 0.00 H new ATOM 313 N GLY A 22 -6.519 -7.382 2.078 1.00 0.00 N ATOM 314 CA GLY A 22 -7.610 -8.316 2.510 1.00 0.00 C ATOM 315 C GLY A 22 -8.855 -8.365 1.624 1.00 0.00 C ATOM 316 O GLY A 22 -8.993 -7.674 0.628 1.00 0.00 O ATOM 0 H GLY A 22 -5.974 -7.696 1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.194 -9.322 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.919 -8.038 3.518 1.00 0.00 H new ATOM 320 N ASP A 23 -9.746 -9.223 2.053 1.00 0.00 N ATOM 321 CA ASP A 23 -11.041 -9.440 1.344 1.00 0.00 C ATOM 322 C ASP A 23 -11.861 -8.151 1.134 1.00 0.00 C ATOM 323 O ASP A 23 -12.744 -7.781 1.894 1.00 0.00 O ATOM 324 CB ASP A 23 -11.862 -10.479 2.152 1.00 0.00 C ATOM 325 CG ASP A 23 -13.218 -10.742 1.476 1.00 0.00 C ATOM 326 OD1 ASP A 23 -13.285 -10.602 0.264 1.00 0.00 O ATOM 327 OD2 ASP A 23 -14.114 -11.070 2.233 1.00 0.00 O ATOM 0 H ASP A 23 -9.625 -9.796 2.888 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.816 -9.803 0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.302 -11.411 2.231 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.020 -10.115 3.167 1.00 0.00 H new ATOM 332 N ARG A 24 -11.478 -7.476 0.087 1.00 0.00 N ATOM 333 CA ARG A 24 -12.110 -6.199 -0.361 1.00 0.00 C ATOM 334 C ARG A 24 -11.329 -5.713 -1.572 1.00 0.00 C ATOM 335 O ARG A 24 -11.885 -5.260 -2.553 1.00 0.00 O ATOM 336 CB ARG A 24 -12.032 -5.135 0.748 1.00 0.00 C ATOM 337 CG ARG A 24 -10.719 -5.340 1.552 1.00 0.00 C ATOM 338 CD ARG A 24 -10.541 -4.250 2.541 1.00 0.00 C ATOM 339 NE ARG A 24 -11.833 -3.990 3.250 1.00 0.00 N ATOM 340 CZ ARG A 24 -12.246 -4.763 4.211 1.00 0.00 C ATOM 341 NH1 ARG A 24 -12.628 -5.971 3.907 1.00 0.00 N ATOM 342 NH2 ARG A 24 -12.248 -4.271 5.415 1.00 0.00 N ATOM 0 H ARG A 24 -10.708 -7.776 -0.511 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.161 -6.365 -0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.056 -4.136 0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.895 -5.216 1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.745 -6.302 2.063 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.868 -5.364 0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.769 -4.523 3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.203 -3.343 2.039 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.402 -3.190 2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.598 -6.287 2.938 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.957 -6.601 4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.934 -3.314 5.575 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.564 -4.842 6.199 1.00 0.00 H new ATOM 356 N GLY A 25 -10.035 -5.838 -1.449 1.00 0.00 N ATOM 357 CA GLY A 25 -9.129 -5.406 -2.542 1.00 0.00 C ATOM 358 C GLY A 25 -8.602 -4.006 -2.205 1.00 0.00 C ATOM 359 O GLY A 25 -9.193 -3.258 -1.448 1.00 0.00 O ATOM 0 H GLY A 25 -9.567 -6.225 -0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.302 -6.108 -2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.661 -5.393 -3.493 1.00 0.00 H new ATOM 363 N PHE A 26 -7.477 -3.684 -2.780 1.00 0.00 N ATOM 364 CA PHE A 26 -6.828 -2.349 -2.552 1.00 0.00 C ATOM 365 C PHE A 26 -7.160 -1.440 -3.707 1.00 0.00 C ATOM 366 O PHE A 26 -7.669 -1.902 -4.709 1.00 0.00 O ATOM 367 CB PHE A 26 -5.294 -2.524 -2.419 1.00 0.00 C ATOM 368 CG PHE A 26 -4.883 -3.781 -3.158 1.00 0.00 C ATOM 369 CD1 PHE A 26 -5.105 -4.995 -2.558 1.00 0.00 C ATOM 370 CD2 PHE A 26 -4.313 -3.739 -4.395 1.00 0.00 C ATOM 371 CE1 PHE A 26 -4.770 -6.161 -3.164 1.00 0.00 C ATOM 372 CE2 PHE A 26 -3.973 -4.906 -5.016 1.00 0.00 C ATOM 373 CZ PHE A 26 -4.194 -6.131 -4.412 1.00 0.00 C ATOM 0 H PHE A 26 -6.965 -4.299 -3.413 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.202 -1.907 -1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.778 -1.657 -2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.011 -2.594 -1.369 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.558 -5.023 -1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.132 -2.791 -4.880 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.954 -7.104 -2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.523 -4.873 -5.997 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.919 -7.048 -4.912 1.00 0.00 H new ATOM 383 N TYR A 27 -6.855 -0.185 -3.540 1.00 0.00 N ATOM 384 CA TYR A 27 -7.178 0.746 -4.658 1.00 0.00 C ATOM 385 C TYR A 27 -5.989 1.209 -5.437 1.00 0.00 C ATOM 386 O TYR A 27 -6.176 1.960 -6.368 1.00 0.00 O ATOM 387 CB TYR A 27 -7.934 1.987 -4.110 1.00 0.00 C ATOM 388 CG TYR A 27 -9.426 1.740 -3.771 1.00 0.00 C ATOM 389 CD1 TYR A 27 -10.187 0.727 -4.343 1.00 0.00 C ATOM 390 CD2 TYR A 27 -10.040 2.579 -2.860 1.00 0.00 C ATOM 391 CE1 TYR A 27 -11.520 0.572 -4.005 1.00 0.00 C ATOM 392 CE2 TYR A 27 -11.369 2.419 -2.526 1.00 0.00 C ATOM 393 CZ TYR A 27 -12.118 1.418 -3.094 1.00 0.00 C ATOM 394 OH TYR A 27 -13.443 1.276 -2.745 1.00 0.00 O ATOM 0 H TYR A 27 -6.415 0.225 -2.716 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.799 0.173 -5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.425 2.338 -3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.871 2.788 -4.846 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.734 0.055 -5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.470 3.373 -2.402 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -12.098 -0.219 -4.459 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.825 3.088 -1.811 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.684 1.963 -2.089 1.00 0.00 H new ATOM 404 N PHE A 28 -4.816 0.782 -5.054 1.00 0.00 N ATOM 405 CA PHE A 28 -3.517 1.151 -5.735 1.00 0.00 C ATOM 406 C PHE A 28 -3.475 2.555 -6.373 1.00 0.00 C ATOM 407 O PHE A 28 -2.704 2.806 -7.279 1.00 0.00 O ATOM 408 CB PHE A 28 -3.210 0.062 -6.815 1.00 0.00 C ATOM 409 CG PHE A 28 -4.446 -0.121 -7.703 1.00 0.00 C ATOM 410 CD1 PHE A 28 -4.685 0.741 -8.756 1.00 0.00 C ATOM 411 CD2 PHE A 28 -5.344 -1.141 -7.444 1.00 0.00 C ATOM 412 CE1 PHE A 28 -5.808 0.587 -9.539 1.00 0.00 C ATOM 413 CE2 PHE A 28 -6.465 -1.295 -8.226 1.00 0.00 C ATOM 414 CZ PHE A 28 -6.699 -0.432 -9.273 1.00 0.00 C ATOM 0 H PHE A 28 -4.690 0.159 -4.256 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.758 1.187 -4.954 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.353 0.361 -7.419 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.948 -0.881 -6.335 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.988 1.539 -8.966 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.164 -1.820 -6.624 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.991 1.264 -10.361 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -7.162 -2.093 -8.019 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.580 -0.553 -9.886 1.00 0.00 H new ATOM 424 N SER A 29 -4.323 3.412 -5.877 1.00 0.00 N ATOM 425 CA SER A 29 -4.467 4.824 -6.316 1.00 0.00 C ATOM 426 C SER A 29 -5.654 5.395 -5.527 1.00 0.00 C ATOM 427 O SER A 29 -6.596 5.928 -6.081 1.00 0.00 O ATOM 428 CB SER A 29 -4.730 4.863 -7.837 1.00 0.00 C ATOM 429 OG SER A 29 -5.907 4.103 -8.112 1.00 0.00 O ATOM 0 H SER A 29 -4.969 3.164 -5.127 1.00 0.00 H new ATOM 0 HA SER A 29 -3.568 5.412 -6.129 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.856 5.892 -8.173 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.878 4.452 -8.379 1.00 0.00 H new ATOM 0 HG SER A 29 -6.047 3.447 -7.398 1.00 0.00 H new ATOM 435 N ARG A 30 -5.518 5.235 -4.227 1.00 0.00 N ATOM 436 CA ARG A 30 -6.555 5.710 -3.254 1.00 0.00 C ATOM 437 C ARG A 30 -7.018 7.176 -3.389 1.00 0.00 C ATOM 438 O ARG A 30 -8.202 7.429 -3.315 1.00 0.00 O ATOM 439 CB ARG A 30 -6.056 5.502 -1.770 1.00 0.00 C ATOM 440 CG ARG A 30 -6.532 4.117 -1.236 1.00 0.00 C ATOM 441 CD ARG A 30 -6.210 3.960 0.277 1.00 0.00 C ATOM 442 NE ARG A 30 -6.915 5.040 1.061 1.00 0.00 N ATOM 443 CZ ARG A 30 -6.688 5.220 2.345 1.00 0.00 C ATOM 444 NH1 ARG A 30 -5.651 4.651 2.894 1.00 0.00 N ATOM 445 NH2 ARG A 30 -7.500 5.964 3.043 1.00 0.00 N ATOM 0 H ARG A 30 -4.712 4.785 -3.793 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.421 5.096 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.968 5.561 -1.732 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.441 6.298 -1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.605 4.011 -1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.046 3.320 -1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.527 2.977 0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.134 4.023 0.438 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.584 5.645 0.584 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.027 4.075 2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.464 4.782 3.888 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.304 6.402 2.594 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.331 6.108 4.038 1.00 0.00 H new ATOM 459 N PRO A 31 -6.117 8.117 -3.559 1.00 0.00 N ATOM 460 CA PRO A 31 -6.522 9.485 -3.979 1.00 0.00 C ATOM 461 C PRO A 31 -7.019 9.466 -5.420 1.00 0.00 C ATOM 462 O PRO A 31 -8.126 9.075 -5.725 1.00 0.00 O ATOM 463 CB PRO A 31 -5.243 10.307 -3.688 1.00 0.00 C ATOM 464 CG PRO A 31 -4.121 9.302 -4.003 1.00 0.00 C ATOM 465 CD PRO A 31 -4.640 7.992 -3.364 1.00 0.00 C ATOM 0 HA PRO A 31 -7.371 9.926 -3.457 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.180 11.195 -4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.205 10.646 -2.653 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.965 9.194 -5.076 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.169 9.612 -3.572 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.236 7.109 -3.859 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.372 7.918 -2.310 1.00 0.00 H new ATOM 473 N ALA A 32 -6.148 9.918 -6.257 1.00 0.00 N ATOM 474 CA ALA A 32 -6.425 9.980 -7.725 1.00 0.00 C ATOM 475 C ALA A 32 -5.841 8.735 -8.404 1.00 0.00 C ATOM 476 O ALA A 32 -4.954 8.091 -7.869 1.00 0.00 O ATOM 477 CB ALA A 32 -5.792 11.213 -8.326 1.00 0.00 C ATOM 0 H ALA A 32 -5.225 10.260 -5.988 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.503 10.021 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.002 11.245 -9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.203 12.103 -7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.714 11.182 -8.168 1.00 0.00 H new ATOM 483 N SER A 33 -6.350 8.490 -9.577 1.00 0.00 N ATOM 484 CA SER A 33 -5.920 7.296 -10.386 1.00 0.00 C ATOM 485 C SER A 33 -5.962 7.691 -11.853 1.00 0.00 C ATOM 486 O SER A 33 -5.390 8.690 -12.232 1.00 0.00 O ATOM 487 CB SER A 33 -6.912 6.122 -10.025 1.00 0.00 C ATOM 488 OG SER A 33 -7.306 6.394 -8.686 1.00 0.00 O ATOM 0 H SER A 33 -7.059 9.071 -10.025 1.00 0.00 H new ATOM 0 HA SER A 33 -4.905 6.962 -10.171 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.770 6.106 -10.697 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.425 5.150 -10.107 1.00 0.00 H new ATOM 0 HG SER A 33 -7.034 5.651 -8.108 1.00 0.00 H new ATOM 494 N ARG A 34 -6.631 6.931 -12.670 1.00 0.00 N ATOM 495 CA ARG A 34 -6.697 7.308 -14.129 1.00 0.00 C ATOM 496 C ARG A 34 -7.888 8.278 -14.278 1.00 0.00 C ATOM 497 O ARG A 34 -8.374 8.548 -15.355 1.00 0.00 O ATOM 498 CB ARG A 34 -6.916 6.031 -15.054 1.00 0.00 C ATOM 499 CG ARG A 34 -8.333 5.380 -14.947 1.00 0.00 C ATOM 500 CD ARG A 34 -8.521 4.299 -16.070 1.00 0.00 C ATOM 501 NE ARG A 34 -7.610 3.126 -15.821 1.00 0.00 N ATOM 502 CZ ARG A 34 -7.360 2.251 -16.762 1.00 0.00 C ATOM 503 NH1 ARG A 34 -8.373 1.644 -17.304 1.00 0.00 N ATOM 504 NH2 ARG A 34 -6.121 2.037 -17.100 1.00 0.00 N ATOM 0 H ARG A 34 -7.129 6.080 -12.410 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.759 7.767 -14.443 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.740 6.316 -16.091 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.167 5.282 -14.798 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.457 4.921 -13.966 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.101 6.148 -15.039 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.558 3.965 -16.093 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.305 4.736 -17.045 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.180 3.011 -14.903 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.321 1.856 -16.993 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.220 0.955 -18.041 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.370 2.546 -16.634 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.901 1.360 -17.831 1.00 0.00 H new ATOM 518 N VAL A 35 -8.305 8.791 -13.149 1.00 0.00 N ATOM 519 CA VAL A 35 -9.424 9.740 -12.954 1.00 0.00 C ATOM 520 C VAL A 35 -9.223 11.111 -13.648 1.00 0.00 C ATOM 521 O VAL A 35 -9.870 12.091 -13.336 1.00 0.00 O ATOM 522 CB VAL A 35 -9.566 9.843 -11.401 1.00 0.00 C ATOM 523 CG1 VAL A 35 -10.900 10.393 -11.058 1.00 0.00 C ATOM 524 CG2 VAL A 35 -9.467 8.470 -10.665 1.00 0.00 C ATOM 0 H VAL A 35 -7.854 8.553 -12.266 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.338 9.384 -13.430 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.741 10.479 -11.079 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.997 10.464 -9.975 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.009 11.384 -11.498 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.676 9.735 -11.449 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.575 8.624 -9.591 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.259 7.810 -11.018 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.498 8.016 -10.871 1.00 0.00 H new ATOM 534 N SER A 36 -8.312 11.145 -14.583 1.00 0.00 N ATOM 535 CA SER A 36 -8.003 12.404 -15.357 1.00 0.00 C ATOM 536 C SER A 36 -7.608 13.519 -14.392 1.00 0.00 C ATOM 537 O SER A 36 -7.961 14.686 -14.470 1.00 0.00 O ATOM 538 CB SER A 36 -9.241 12.753 -16.140 1.00 0.00 C ATOM 539 OG SER A 36 -8.785 13.520 -17.249 1.00 0.00 O ATOM 0 H SER A 36 -7.751 10.338 -14.856 1.00 0.00 H new ATOM 0 HA SER A 36 -7.164 12.264 -16.039 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.762 11.855 -16.472 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.943 13.322 -15.531 1.00 0.00 H new ATOM 0 HG SER A 36 -9.550 13.779 -17.804 1.00 0.00 H new ATOM 545 N ARG A 37 -6.848 13.013 -13.477 1.00 0.00 N ATOM 546 CA ARG A 37 -6.246 13.780 -12.347 1.00 0.00 C ATOM 547 C ARG A 37 -4.844 13.162 -12.197 1.00 0.00 C ATOM 548 O ARG A 37 -4.348 12.582 -13.142 1.00 0.00 O ATOM 549 CB ARG A 37 -7.133 13.558 -11.084 1.00 0.00 C ATOM 550 CG ARG A 37 -7.217 14.828 -10.190 1.00 0.00 C ATOM 551 CD ARG A 37 -8.343 15.760 -10.712 1.00 0.00 C ATOM 552 NE ARG A 37 -8.093 16.014 -12.170 1.00 0.00 N ATOM 553 CZ ARG A 37 -8.080 17.196 -12.721 1.00 0.00 C ATOM 554 NH1 ARG A 37 -7.783 18.236 -11.998 1.00 0.00 N ATOM 555 NH2 ARG A 37 -8.366 17.262 -13.985 1.00 0.00 N ATOM 0 H ARG A 37 -6.598 12.024 -13.462 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.183 14.857 -12.500 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.137 13.268 -11.394 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.729 12.731 -10.500 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.416 14.545 -9.156 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.263 15.354 -10.198 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.319 15.297 -10.567 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.350 16.698 -10.157 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.922 15.208 -12.771 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.563 18.123 -11.008 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.770 19.164 -12.421 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.588 16.412 -14.503 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.369 18.164 -14.461 1.00 0.00 H new ATOM 569 N ARG A 38 -4.236 13.291 -11.046 1.00 0.00 N ATOM 570 CA ARG A 38 -2.872 12.686 -10.889 1.00 0.00 C ATOM 571 C ARG A 38 -3.092 11.191 -10.644 1.00 0.00 C ATOM 572 O ARG A 38 -4.214 10.726 -10.637 1.00 0.00 O ATOM 573 CB ARG A 38 -2.098 13.273 -9.672 1.00 0.00 C ATOM 574 CG ARG A 38 -1.935 14.814 -9.782 1.00 0.00 C ATOM 575 CD ARG A 38 -3.110 15.556 -9.129 1.00 0.00 C ATOM 576 NE ARG A 38 -3.086 15.268 -7.657 1.00 0.00 N ATOM 577 CZ ARG A 38 -3.412 16.219 -6.835 1.00 0.00 C ATOM 578 NH1 ARG A 38 -2.625 17.252 -6.796 1.00 0.00 N ATOM 579 NH2 ARG A 38 -4.491 16.090 -6.118 1.00 0.00 N ATOM 0 H ARG A 38 -4.608 13.773 -10.228 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.280 12.895 -11.780 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.628 13.028 -8.752 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.115 12.807 -9.607 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.003 15.117 -9.305 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.863 15.099 -10.832 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.029 16.628 -9.308 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.055 15.230 -9.565 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.820 14.347 -7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.799 17.287 -7.393 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.833 18.028 -6.168 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.065 15.252 -6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.762 16.827 -5.467 1.00 0.00 H new ATOM 593 N SER A 39 -2.028 10.477 -10.439 1.00 0.00 N ATOM 594 CA SER A 39 -2.154 9.012 -10.200 1.00 0.00 C ATOM 595 C SER A 39 -1.157 8.427 -9.185 1.00 0.00 C ATOM 596 O SER A 39 -0.004 8.199 -9.492 1.00 0.00 O ATOM 597 CB SER A 39 -2.009 8.341 -11.584 1.00 0.00 C ATOM 598 OG SER A 39 -0.989 9.092 -12.247 1.00 0.00 O ATOM 0 H SER A 39 -1.075 10.840 -10.426 1.00 0.00 H new ATOM 0 HA SER A 39 -3.121 8.815 -9.736 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.729 7.292 -11.488 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.947 8.371 -12.139 1.00 0.00 H new ATOM 0 HG SER A 39 -0.838 8.720 -13.141 1.00 0.00 H new ATOM 604 N ARG A 40 -1.608 8.194 -7.978 1.00 0.00 N ATOM 605 CA ARG A 40 -0.703 7.624 -6.975 1.00 0.00 C ATOM 606 C ARG A 40 -1.041 6.117 -6.993 1.00 0.00 C ATOM 607 O ARG A 40 -2.018 5.697 -7.587 1.00 0.00 O ATOM 608 CB ARG A 40 -1.031 8.345 -5.643 1.00 0.00 C ATOM 609 CG ARG A 40 -0.473 7.501 -4.530 1.00 0.00 C ATOM 610 CD ARG A 40 -0.551 8.159 -3.161 1.00 0.00 C ATOM 611 NE ARG A 40 -0.170 7.084 -2.183 1.00 0.00 N ATOM 612 CZ ARG A 40 0.639 7.250 -1.172 1.00 0.00 C ATOM 613 NH1 ARG A 40 0.401 8.133 -0.246 1.00 0.00 N ATOM 614 NH2 ARG A 40 1.673 6.485 -1.148 1.00 0.00 N ATOM 0 H ARG A 40 -2.560 8.377 -7.660 1.00 0.00 H new ATOM 0 HA ARG A 40 0.367 7.748 -7.142 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.591 9.342 -5.627 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.108 8.470 -5.528 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.013 6.555 -4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.568 7.267 -4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.127 9.010 -3.094 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.555 8.535 -2.962 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.573 6.157 -2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.434 8.716 -0.300 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.050 8.242 0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.819 5.802 -1.891 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.347 6.562 -0.386 1.00 0.00 H new ATOM 628 N GLY A 41 -0.214 5.355 -6.339 1.00 0.00 N ATOM 629 CA GLY A 41 -0.364 3.876 -6.234 1.00 0.00 C ATOM 630 C GLY A 41 0.799 3.440 -5.358 1.00 0.00 C ATOM 631 O GLY A 41 1.537 4.304 -4.931 1.00 0.00 O ATOM 0 H GLY A 41 0.603 5.717 -5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.321 3.604 -5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.323 3.402 -7.215 1.00 0.00 H new ATOM 635 N ILE A 42 0.968 2.171 -5.078 1.00 0.00 N ATOM 636 CA ILE A 42 2.109 1.738 -4.225 1.00 0.00 C ATOM 637 C ILE A 42 3.360 2.076 -4.984 1.00 0.00 C ATOM 638 O ILE A 42 4.143 2.935 -4.669 1.00 0.00 O ATOM 639 CB ILE A 42 2.172 0.203 -3.999 1.00 0.00 C ATOM 640 CG1 ILE A 42 0.889 -0.511 -4.396 1.00 0.00 C ATOM 641 CG2 ILE A 42 2.496 0.005 -2.569 1.00 0.00 C ATOM 642 CD1 ILE A 42 -0.182 0.030 -3.487 1.00 0.00 C ATOM 0 H ILE A 42 0.362 1.418 -5.405 1.00 0.00 H new ATOM 0 HA ILE A 42 1.998 2.228 -3.258 1.00 0.00 H new ATOM 0 HB ILE A 42 2.934 -0.239 -4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.645 -0.324 -5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.991 -1.590 -4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.553 -1.062 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.455 0.472 -2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.719 0.459 -1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.134 -0.446 -3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.081 -0.179 -2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.270 1.107 -3.629 1.00 0.00 H new ATOM 654 N VAL A 43 3.415 1.290 -6.015 1.00 0.00 N ATOM 655 CA VAL A 43 4.511 1.295 -7.011 1.00 0.00 C ATOM 656 C VAL A 43 5.838 1.842 -6.472 1.00 0.00 C ATOM 657 O VAL A 43 6.567 1.061 -5.896 1.00 0.00 O ATOM 658 CB VAL A 43 4.064 2.102 -8.267 1.00 0.00 C ATOM 659 CG1 VAL A 43 4.433 1.187 -9.430 1.00 0.00 C ATOM 660 CG2 VAL A 43 2.548 2.359 -8.292 1.00 0.00 C ATOM 0 H VAL A 43 2.693 0.599 -6.217 1.00 0.00 H new ATOM 0 HA VAL A 43 4.704 0.254 -7.272 1.00 0.00 H new ATOM 0 HB VAL A 43 4.536 3.084 -8.295 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.158 1.665 -10.370 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.507 0.999 -9.419 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.899 0.242 -9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.290 2.925 -9.187 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.018 1.407 -8.299 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.261 2.928 -7.408 1.00 0.00 H new ATOM 670 N GLU A 44 6.171 3.100 -6.605 1.00 0.00 N ATOM 671 CA GLU A 44 7.490 3.563 -6.065 1.00 0.00 C ATOM 672 C GLU A 44 7.754 3.150 -4.589 1.00 0.00 C ATOM 673 O GLU A 44 8.865 3.168 -4.100 1.00 0.00 O ATOM 674 CB GLU A 44 7.535 5.095 -6.256 1.00 0.00 C ATOM 675 CG GLU A 44 7.617 5.375 -7.781 1.00 0.00 C ATOM 676 CD GLU A 44 7.146 6.806 -8.117 1.00 0.00 C ATOM 677 OE1 GLU A 44 5.947 6.926 -8.312 1.00 0.00 O ATOM 678 OE2 GLU A 44 8.000 7.681 -8.157 1.00 0.00 O ATOM 0 H GLU A 44 5.601 3.817 -7.055 1.00 0.00 H new ATOM 0 HA GLU A 44 8.293 3.071 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.647 5.561 -5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.397 5.520 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.643 5.238 -8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.003 4.653 -8.319 1.00 0.00 H new ATOM 685 N GLU A 45 6.714 2.779 -3.914 1.00 0.00 N ATOM 686 CA GLU A 45 6.785 2.347 -2.496 1.00 0.00 C ATOM 687 C GLU A 45 7.100 0.852 -2.377 1.00 0.00 C ATOM 688 O GLU A 45 8.011 0.479 -1.657 1.00 0.00 O ATOM 689 CB GLU A 45 5.444 2.680 -1.859 1.00 0.00 C ATOM 690 CG GLU A 45 5.280 4.204 -1.983 1.00 0.00 C ATOM 691 CD GLU A 45 3.898 4.671 -1.534 1.00 0.00 C ATOM 692 OE1 GLU A 45 2.907 4.272 -2.136 1.00 0.00 O ATOM 693 OE2 GLU A 45 3.908 5.438 -0.583 1.00 0.00 O ATOM 0 H GLU A 45 5.772 2.756 -4.305 1.00 0.00 H new ATOM 0 HA GLU A 45 7.594 2.867 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.632 2.158 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.421 2.369 -0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.043 4.700 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.445 4.503 -3.018 1.00 0.00 H new ATOM 700 N CYS A 46 6.376 0.004 -3.069 1.00 0.00 N ATOM 701 CA CYS A 46 6.744 -1.441 -2.894 1.00 0.00 C ATOM 702 C CYS A 46 7.793 -1.779 -3.948 1.00 0.00 C ATOM 703 O CYS A 46 8.694 -2.546 -3.676 1.00 0.00 O ATOM 704 CB CYS A 46 5.429 -2.286 -2.993 1.00 0.00 C ATOM 705 SG CYS A 46 5.552 -4.071 -2.792 1.00 0.00 S ATOM 0 H CYS A 46 5.605 0.221 -3.701 1.00 0.00 H new ATOM 0 HA CYS A 46 7.186 -1.665 -1.923 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.735 -1.913 -2.240 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.979 -2.090 -3.966 1.00 0.00 H new ATOM 710 N CYS A 47 7.654 -1.178 -5.103 1.00 0.00 N ATOM 711 CA CYS A 47 8.627 -1.432 -6.200 1.00 0.00 C ATOM 712 C CYS A 47 9.970 -0.714 -5.928 1.00 0.00 C ATOM 713 O CYS A 47 11.011 -1.327 -6.045 1.00 0.00 O ATOM 714 CB CYS A 47 8.132 -0.921 -7.593 1.00 0.00 C ATOM 715 SG CYS A 47 7.270 -2.081 -8.676 1.00 0.00 S ATOM 0 H CYS A 47 6.907 -0.522 -5.330 1.00 0.00 H new ATOM 0 HA CYS A 47 8.742 -2.516 -6.225 1.00 0.00 H new ATOM 0 HB2 CYS A 47 7.469 -0.073 -7.419 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.999 -0.542 -8.135 1.00 0.00 H new ATOM 720 N PHE A 48 9.939 0.562 -5.583 1.00 0.00 N ATOM 721 CA PHE A 48 11.176 1.343 -5.306 1.00 0.00 C ATOM 722 C PHE A 48 11.548 1.431 -3.812 1.00 0.00 C ATOM 723 O PHE A 48 12.724 1.353 -3.512 1.00 0.00 O ATOM 724 CB PHE A 48 10.944 2.717 -5.880 1.00 0.00 C ATOM 725 CG PHE A 48 11.461 2.969 -7.299 1.00 0.00 C ATOM 726 CD1 PHE A 48 11.257 2.035 -8.295 1.00 0.00 C ATOM 727 CD2 PHE A 48 12.112 4.148 -7.603 1.00 0.00 C ATOM 728 CE1 PHE A 48 11.695 2.276 -9.576 1.00 0.00 C ATOM 729 CE2 PHE A 48 12.552 4.390 -8.887 1.00 0.00 C ATOM 730 CZ PHE A 48 12.344 3.453 -9.877 1.00 0.00 C ATOM 0 H PHE A 48 9.077 1.098 -5.482 1.00 0.00 H new ATOM 0 HA PHE A 48 12.025 0.836 -5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.872 2.913 -5.869 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.408 3.446 -5.215 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.750 1.109 -8.067 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.277 4.885 -6.831 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.530 1.540 -10.349 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.060 5.315 -9.118 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.688 3.641 -10.883 1.00 0.00 H new ATOM 740 N ARG A 49 10.622 1.619 -2.896 1.00 0.00 N ATOM 741 CA ARG A 49 11.076 1.674 -1.469 1.00 0.00 C ATOM 742 C ARG A 49 11.145 0.211 -1.007 1.00 0.00 C ATOM 743 O ARG A 49 11.471 -0.654 -1.799 1.00 0.00 O ATOM 744 CB ARG A 49 10.067 2.518 -0.629 1.00 0.00 C ATOM 745 CG ARG A 49 10.038 4.007 -1.094 1.00 0.00 C ATOM 746 CD ARG A 49 11.306 4.803 -0.644 1.00 0.00 C ATOM 747 NE ARG A 49 12.497 4.470 -1.500 1.00 0.00 N ATOM 748 CZ ARG A 49 13.602 5.136 -1.323 1.00 0.00 C ATOM 749 NH1 ARG A 49 13.769 6.227 -2.009 1.00 0.00 N ATOM 750 NH2 ARG A 49 14.482 4.692 -0.476 1.00 0.00 N ATOM 0 H ARG A 49 9.622 1.731 -3.062 1.00 0.00 H new ATOM 0 HA ARG A 49 12.046 2.155 -1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.069 2.089 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.341 2.471 0.425 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.958 4.043 -2.180 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.148 4.492 -0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.104 5.873 -0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.530 4.574 0.398 1.00 0.00 H new ATOM 0 HE ARG A 49 12.440 3.736 -2.206 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.047 6.536 -2.660 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.622 6.775 -1.896 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.303 3.831 0.041 1.00 0.00 H new ATOM 0 HH22 ARG A 49 15.352 5.204 -0.328 1.00 0.00 H new ATOM 764 N SER A 50 10.846 -0.063 0.231 1.00 0.00 N ATOM 765 CA SER A 50 10.917 -1.476 0.712 1.00 0.00 C ATOM 766 C SER A 50 9.539 -2.086 0.952 1.00 0.00 C ATOM 767 O SER A 50 9.452 -2.994 1.757 1.00 0.00 O ATOM 768 CB SER A 50 11.738 -1.490 2.017 1.00 0.00 C ATOM 769 OG SER A 50 12.022 -2.865 2.247 1.00 0.00 O ATOM 0 H SER A 50 10.557 0.623 0.929 1.00 0.00 H new ATOM 0 HA SER A 50 11.390 -2.083 -0.060 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.654 -0.908 1.916 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.175 -1.058 2.844 1.00 0.00 H new ATOM 0 HG SER A 50 11.184 -3.371 2.279 1.00 0.00 H new ATOM 775 N CYS A 51 8.517 -1.604 0.277 1.00 0.00 N ATOM 776 CA CYS A 51 7.133 -2.178 0.488 1.00 0.00 C ATOM 777 C CYS A 51 7.010 -2.290 2.027 1.00 0.00 C ATOM 778 O CYS A 51 6.685 -3.317 2.586 1.00 0.00 O ATOM 779 CB CYS A 51 7.054 -3.584 -0.212 1.00 0.00 C ATOM 780 SG CYS A 51 5.443 -4.194 -0.774 1.00 0.00 S ATOM 0 H CYS A 51 8.574 -0.847 -0.404 1.00 0.00 H new ATOM 0 HA CYS A 51 6.328 -1.576 0.068 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.717 -3.559 -1.077 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.462 -4.320 0.481 1.00 0.00 H new ATOM 785 N ASP A 52 7.291 -1.161 2.621 1.00 0.00 N ATOM 786 CA ASP A 52 7.303 -0.872 4.092 1.00 0.00 C ATOM 787 C ASP A 52 6.082 -1.293 4.961 1.00 0.00 C ATOM 788 O ASP A 52 5.921 -0.902 6.106 1.00 0.00 O ATOM 789 CB ASP A 52 7.573 0.641 4.162 1.00 0.00 C ATOM 790 CG ASP A 52 8.907 1.022 3.449 1.00 0.00 C ATOM 791 OD1 ASP A 52 8.968 0.886 2.229 1.00 0.00 O ATOM 792 OD2 ASP A 52 9.819 1.432 4.145 1.00 0.00 O ATOM 0 H ASP A 52 7.541 -0.335 2.077 1.00 0.00 H new ATOM 0 HA ASP A 52 8.058 -1.508 4.554 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.746 1.180 3.699 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.615 0.955 5.205 1.00 0.00 H new ATOM 797 N LEU A 53 5.246 -2.095 4.376 1.00 0.00 N ATOM 798 CA LEU A 53 4.004 -2.645 4.997 1.00 0.00 C ATOM 799 C LEU A 53 2.992 -1.527 5.242 1.00 0.00 C ATOM 800 O LEU A 53 2.016 -1.432 4.526 1.00 0.00 O ATOM 801 CB LEU A 53 4.376 -3.355 6.332 1.00 0.00 C ATOM 802 CG LEU A 53 3.473 -4.581 6.613 1.00 0.00 C ATOM 803 CD1 LEU A 53 1.983 -4.287 6.492 1.00 0.00 C ATOM 804 CD2 LEU A 53 3.778 -5.746 5.659 1.00 0.00 C ATOM 0 H LEU A 53 5.383 -2.417 3.418 1.00 0.00 H new ATOM 0 HA LEU A 53 3.546 -3.368 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.418 -3.674 6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.290 -2.646 7.155 1.00 0.00 H new ATOM 0 HG LEU A 53 3.703 -4.846 7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.415 -5.193 6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.706 -3.511 7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.760 -3.946 5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.123 -6.586 5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.611 -5.427 4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.817 -6.052 5.779 1.00 0.00 H new ATOM 816 N ALA A 54 3.257 -0.714 6.229 1.00 0.00 N ATOM 817 CA ALA A 54 2.364 0.437 6.610 1.00 0.00 C ATOM 818 C ALA A 54 1.562 1.017 5.437 1.00 0.00 C ATOM 819 O ALA A 54 0.374 1.265 5.532 1.00 0.00 O ATOM 820 CB ALA A 54 3.228 1.553 7.222 1.00 0.00 C ATOM 0 H ALA A 54 4.088 -0.799 6.814 1.00 0.00 H new ATOM 0 HA ALA A 54 1.637 0.047 7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.592 2.393 7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.739 1.174 8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.966 1.884 6.491 1.00 0.00 H new ATOM 826 N LEU A 55 2.259 1.216 4.347 1.00 0.00 N ATOM 827 CA LEU A 55 1.682 1.765 3.110 1.00 0.00 C ATOM 828 C LEU A 55 0.622 0.779 2.590 1.00 0.00 C ATOM 829 O LEU A 55 -0.555 1.070 2.461 1.00 0.00 O ATOM 830 CB LEU A 55 2.927 1.957 2.242 1.00 0.00 C ATOM 831 CG LEU A 55 3.557 3.358 2.511 1.00 0.00 C ATOM 832 CD1 LEU A 55 4.883 3.503 1.734 1.00 0.00 C ATOM 833 CD2 LEU A 55 2.594 4.472 2.038 1.00 0.00 C ATOM 0 H LEU A 55 3.254 1.005 4.276 1.00 0.00 H new ATOM 0 HA LEU A 55 1.135 2.705 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.655 1.175 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.663 1.864 1.188 1.00 0.00 H new ATOM 0 HG LEU A 55 3.740 3.450 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.314 4.485 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.580 2.730 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.692 3.396 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.043 5.447 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.408 4.362 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.652 4.393 2.581 1.00 0.00 H new ATOM 845 N LEU A 56 1.098 -0.385 2.288 1.00 0.00 N ATOM 846 CA LEU A 56 0.247 -1.486 1.785 1.00 0.00 C ATOM 847 C LEU A 56 -0.973 -1.588 2.687 1.00 0.00 C ATOM 848 O LEU A 56 -2.065 -1.684 2.158 1.00 0.00 O ATOM 849 CB LEU A 56 1.090 -2.771 1.811 1.00 0.00 C ATOM 850 CG LEU A 56 2.410 -2.620 0.985 1.00 0.00 C ATOM 851 CD1 LEU A 56 2.282 -1.718 -0.216 1.00 0.00 C ATOM 852 CD2 LEU A 56 3.686 -2.303 1.769 1.00 0.00 C ATOM 0 H LEU A 56 2.085 -0.629 2.373 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.098 -1.315 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.334 -3.024 2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.504 -3.598 1.410 1.00 0.00 H new ATOM 0 HG LEU A 56 2.547 -3.643 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.239 -1.665 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.524 -2.116 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.990 -0.719 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.527 -2.225 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.562 -1.359 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.879 -3.100 2.487 1.00 0.00 H new ATOM 864 N GLU A 57 -0.751 -1.548 3.980 1.00 0.00 N ATOM 865 CA GLU A 57 -1.902 -1.646 4.923 1.00 0.00 C ATOM 866 C GLU A 57 -2.984 -0.605 4.535 1.00 0.00 C ATOM 867 O GLU A 57 -4.155 -0.901 4.387 1.00 0.00 O ATOM 868 CB GLU A 57 -1.484 -1.336 6.373 1.00 0.00 C ATOM 869 CG GLU A 57 -0.338 -2.238 6.833 1.00 0.00 C ATOM 870 CD GLU A 57 -0.129 -2.096 8.355 1.00 0.00 C ATOM 871 OE1 GLU A 57 0.012 -0.961 8.784 1.00 0.00 O ATOM 872 OE2 GLU A 57 -0.120 -3.127 9.009 1.00 0.00 O ATOM 0 H GLU A 57 0.167 -1.453 4.415 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.278 -2.667 4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.179 -0.292 6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.340 -1.468 7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.559 -3.276 6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.578 -1.972 6.306 1.00 0.00 H new ATOM 879 N THR A 58 -2.528 0.617 4.384 1.00 0.00 N ATOM 880 CA THR A 58 -3.465 1.723 4.009 1.00 0.00 C ATOM 881 C THR A 58 -3.852 1.659 2.511 1.00 0.00 C ATOM 882 O THR A 58 -4.769 2.348 2.103 1.00 0.00 O ATOM 883 CB THR A 58 -2.753 3.101 4.435 1.00 0.00 C ATOM 884 OG1 THR A 58 -3.526 4.221 3.999 1.00 0.00 O ATOM 885 CG2 THR A 58 -1.391 3.331 3.791 1.00 0.00 C ATOM 0 H THR A 58 -1.554 0.894 4.504 1.00 0.00 H new ATOM 0 HA THR A 58 -4.416 1.634 4.534 1.00 0.00 H new ATOM 0 HB THR A 58 -2.655 3.016 5.517 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.080 5.051 4.268 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.983 4.282 4.133 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.715 2.524 4.072 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.500 3.352 2.707 1.00 0.00 H new ATOM 893 N TYR A 59 -3.190 0.862 1.704 1.00 0.00 N ATOM 894 CA TYR A 59 -3.609 0.832 0.254 1.00 0.00 C ATOM 895 C TYR A 59 -4.922 0.079 0.027 1.00 0.00 C ATOM 896 O TYR A 59 -5.588 0.265 -0.981 1.00 0.00 O ATOM 897 CB TYR A 59 -2.480 0.207 -0.580 1.00 0.00 C ATOM 898 CG TYR A 59 -1.713 1.403 -1.163 1.00 0.00 C ATOM 899 CD1 TYR A 59 -2.264 2.114 -2.216 1.00 0.00 C ATOM 900 CD2 TYR A 59 -0.496 1.796 -0.659 1.00 0.00 C ATOM 901 CE1 TYR A 59 -1.605 3.202 -2.755 1.00 0.00 C ATOM 902 CE2 TYR A 59 0.160 2.879 -1.195 1.00 0.00 C ATOM 903 CZ TYR A 59 -0.382 3.589 -2.241 1.00 0.00 C ATOM 904 OH TYR A 59 0.302 4.665 -2.756 1.00 0.00 O ATOM 0 H TYR A 59 -2.412 0.255 1.964 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.790 1.860 -0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.832 -0.416 0.036 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.878 -0.430 -1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.220 1.815 -2.620 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.053 1.252 0.162 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.045 3.749 -3.576 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.115 3.177 -0.789 1.00 0.00 H new ATOM 0 HH TYR A 59 1.199 4.381 -3.031 1.00 0.00 H new ATOM 914 N CYS A 60 -5.251 -0.777 0.964 1.00 0.00 N ATOM 915 CA CYS A 60 -6.520 -1.549 0.861 1.00 0.00 C ATOM 916 C CYS A 60 -7.737 -0.618 0.712 1.00 0.00 C ATOM 917 O CYS A 60 -7.668 0.556 1.021 1.00 0.00 O ATOM 918 CB CYS A 60 -6.747 -2.360 2.098 1.00 0.00 C ATOM 919 SG CYS A 60 -7.793 -3.802 1.823 1.00 0.00 S ATOM 0 H CYS A 60 -4.692 -0.972 1.795 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.421 -2.188 -0.017 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.785 -2.688 2.491 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.204 -1.728 2.860 1.00 0.00 H new ATOM 924 N ALA A 61 -8.832 -1.163 0.253 1.00 0.00 N ATOM 925 CA ALA A 61 -10.075 -0.340 0.079 1.00 0.00 C ATOM 926 C ALA A 61 -10.891 -0.348 1.387 1.00 0.00 C ATOM 927 O ALA A 61 -12.030 0.075 1.423 1.00 0.00 O ATOM 928 CB ALA A 61 -10.912 -0.936 -1.054 1.00 0.00 C ATOM 0 H ALA A 61 -8.924 -2.144 -0.011 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.804 0.687 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.818 -0.344 -1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.333 -0.927 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.183 -1.962 -0.805 1.00 0.00 H new ATOM 934 N THR A 62 -10.299 -0.824 2.457 1.00 0.00 N ATOM 935 CA THR A 62 -11.047 -0.857 3.748 1.00 0.00 C ATOM 936 C THR A 62 -11.336 0.492 4.379 1.00 0.00 C ATOM 937 O THR A 62 -12.178 0.512 5.255 1.00 0.00 O ATOM 938 CB THR A 62 -10.258 -1.779 4.762 1.00 0.00 C ATOM 939 OG1 THR A 62 -11.066 -1.887 5.935 1.00 0.00 O ATOM 940 CG2 THR A 62 -8.950 -1.157 5.244 1.00 0.00 C ATOM 0 H THR A 62 -9.346 -1.185 2.491 1.00 0.00 H new ATOM 0 HA THR A 62 -12.034 -1.257 3.514 1.00 0.00 H new ATOM 0 HB THR A 62 -10.045 -2.719 4.253 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.724 -1.161 5.947 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.457 -1.839 5.937 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.298 -0.973 4.390 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.160 -0.215 5.750 1.00 0.00 H new ATOM 948 N PRO A 63 -10.691 1.563 3.995 1.00 0.00 N ATOM 949 CA PRO A 63 -11.250 2.905 4.228 1.00 0.00 C ATOM 950 C PRO A 63 -12.200 3.399 3.129 1.00 0.00 C ATOM 951 O PRO A 63 -12.320 4.595 2.946 1.00 0.00 O ATOM 952 CB PRO A 63 -10.014 3.707 4.389 1.00 0.00 C ATOM 953 CG PRO A 63 -9.088 3.160 3.280 1.00 0.00 C ATOM 954 CD PRO A 63 -9.348 1.643 3.333 1.00 0.00 C ATOM 0 HA PRO A 63 -11.917 2.959 5.088 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.207 4.772 4.263 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.576 3.577 5.379 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.335 3.579 2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.042 3.398 3.473 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.360 1.199 2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.582 1.120 3.906 1.00 0.00 H new ATOM 962 N ALA A 64 -12.825 2.488 2.423 1.00 0.00 N ATOM 963 CA ALA A 64 -13.781 2.898 1.334 1.00 0.00 C ATOM 964 C ALA A 64 -14.736 3.948 1.905 1.00 0.00 C ATOM 965 O ALA A 64 -15.171 3.822 3.033 1.00 0.00 O ATOM 966 CB ALA A 64 -14.625 1.703 0.853 1.00 0.00 C ATOM 0 H ALA A 64 -12.719 1.481 2.549 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.205 3.286 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.305 2.031 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.967 0.926 0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.201 1.305 1.688 1.00 0.00 H new ATOM 972 N LYS A 65 -15.038 4.954 1.128 1.00 0.00 N ATOM 973 CA LYS A 65 -15.928 6.014 1.556 1.00 0.00 C ATOM 974 C LYS A 65 -17.365 5.524 1.850 1.00 0.00 C ATOM 975 O LYS A 65 -18.263 5.701 1.051 1.00 0.00 O ATOM 976 CB LYS A 65 -15.807 7.020 0.420 1.00 0.00 C ATOM 977 CG LYS A 65 -16.222 6.446 -0.975 1.00 0.00 C ATOM 978 CD LYS A 65 -16.462 7.647 -1.915 1.00 0.00 C ATOM 979 CE LYS A 65 -17.210 7.173 -3.180 1.00 0.00 C ATOM 980 NZ LYS A 65 -17.568 8.354 -4.030 1.00 0.00 N ATOM 0 H LYS A 65 -14.677 5.067 0.181 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.662 6.452 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.429 7.886 0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.777 7.372 0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -15.440 5.798 -1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -17.124 5.840 -0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -17.044 8.413 -1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.511 8.101 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.585 6.482 -3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -18.112 6.629 -2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.071 8.030 -4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -18.180 8.998 -3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.701 8.855 -4.311 1.00 0.00 H new ATOM 994 N SER A 66 -17.532 4.912 2.988 1.00 0.00 N ATOM 995 CA SER A 66 -18.874 4.401 3.391 1.00 0.00 C ATOM 996 C SER A 66 -19.541 5.458 4.282 1.00 0.00 C ATOM 997 O SER A 66 -18.875 6.093 5.078 1.00 0.00 O ATOM 998 CB SER A 66 -18.705 3.088 4.168 1.00 0.00 C ATOM 999 OG SER A 66 -18.053 2.211 3.252 1.00 0.00 O ATOM 0 H SER A 66 -16.788 4.741 3.665 1.00 0.00 H new ATOM 0 HA SER A 66 -19.492 4.212 2.513 1.00 0.00 H new ATOM 0 HB2 SER A 66 -18.110 3.234 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 66 -19.668 2.687 4.484 1.00 0.00 H new ATOM 0 HG SER A 66 -17.906 1.341 3.680 1.00 0.00 H new ATOM 1005 N GLU A 67 -20.827 5.603 4.123 1.00 0.00 N ATOM 1006 CA GLU A 67 -21.643 6.580 4.896 1.00 0.00 C ATOM 1007 C GLU A 67 -23.070 5.999 5.002 1.00 0.00 C ATOM 1008 O GLU A 67 -23.322 5.059 4.258 1.00 0.00 O ATOM 1009 CB GLU A 67 -21.626 7.947 4.139 1.00 0.00 C ATOM 1010 CG GLU A 67 -21.973 7.765 2.632 1.00 0.00 C ATOM 1011 CD GLU A 67 -21.820 9.099 1.886 1.00 0.00 C ATOM 1012 OE1 GLU A 67 -22.793 9.837 1.861 1.00 0.00 O ATOM 1013 OE2 GLU A 67 -20.729 9.308 1.378 1.00 0.00 O ATOM 1014 OXT GLU A 67 -23.821 6.517 5.816 1.00 0.00 O ATOM 0 H GLU A 67 -21.370 5.056 3.455 1.00 0.00 H new ATOM 0 HA GLU A 67 -21.251 6.749 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -22.341 8.629 4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -20.642 8.406 4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -21.318 7.015 2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -22.994 7.397 2.528 1.00 0.00 H new TER 1021 GLU A 67