USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 400 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0414 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 56:sc= 0.133 USER MOD Single : A 9 THR OG1 : rot -31:sc= 0.223 USER MOD Single : A 15 LYS NZ :NH3+ 144:sc= -0.401 (180deg=-1.73!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.66! C(o=-2.7!,f=-2!) USER MOD Single : A 25 THR OG1 : rot -52:sc= 1.11 USER MOD Single : A 26 ASN : amide:sc= -0.561 X(o=-0.56,f=-0.52) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0089 K(o=-0.0089,f=-1.2) USER MOD Single : A 33 SER OG : rot 68:sc= 0.131 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0.00355 (180deg=0.00279) USER MOD Single : A 40 SER OG : rot 22:sc= 0.366 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 35:sc= 0.531 USER MOD Single : A 48 MET CE :methyl 175:sc= -0.0944 (180deg=-0.163) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -105:sc= -1.53 (180deg=-5.36!) USER MOD Single : A 55 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.273 -6.952 1.077 1.00 0.00 N ATOM 2 CA GLY A 1 0.928 -6.950 2.486 1.00 0.00 C ATOM 3 C GLY A 1 -0.398 -6.267 2.758 1.00 0.00 C ATOM 4 O GLY A 1 -0.826 -5.402 1.994 1.00 0.00 O ATOM 0 H1 GLY A 1 1.171 -7.914 0.696 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.639 -6.307 0.563 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.257 -6.636 0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.885 -7.977 2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.714 -6.447 3.049 1.00 0.00 H new ATOM 8 N SER A 2 -1.051 -6.658 3.848 1.00 0.00 N ATOM 9 CA SER A 2 -2.338 -6.081 4.215 1.00 0.00 C ATOM 10 C SER A 2 -2.346 -4.574 3.980 1.00 0.00 C ATOM 11 O SER A 2 -3.204 -4.050 3.269 1.00 0.00 O ATOM 12 CB SER A 2 -2.656 -6.381 5.682 1.00 0.00 C ATOM 13 OG SER A 2 -4.029 -6.169 5.960 1.00 0.00 O ATOM 0 H SER A 2 -0.710 -7.372 4.492 1.00 0.00 H new ATOM 0 HA SER A 2 -3.103 -6.533 3.584 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.391 -7.413 5.911 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.049 -5.745 6.326 1.00 0.00 H new ATOM 0 HG SER A 2 -4.207 -6.369 6.903 1.00 0.00 H new ATOM 19 N SER A 3 -1.383 -3.882 4.581 1.00 0.00 N ATOM 20 CA SER A 3 -1.280 -2.435 4.440 1.00 0.00 C ATOM 21 C SER A 3 -1.125 -2.041 2.974 1.00 0.00 C ATOM 22 O SER A 3 -0.992 -2.897 2.101 1.00 0.00 O ATOM 23 CB SER A 3 -0.094 -1.906 5.250 1.00 0.00 C ATOM 24 OG SER A 3 -0.318 -0.570 5.669 1.00 0.00 O ATOM 0 H SER A 3 -0.663 -4.301 5.170 1.00 0.00 H new ATOM 0 HA SER A 3 -2.199 -1.991 4.822 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.068 -2.541 6.121 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.813 -1.954 4.647 1.00 0.00 H new ATOM 0 HG SER A 3 0.453 -0.256 6.186 1.00 0.00 H new ATOM 30 N GLY A 4 -1.143 -0.737 2.713 1.00 0.00 N ATOM 31 CA GLY A 4 -1.004 -0.251 1.353 1.00 0.00 C ATOM 32 C GLY A 4 -2.321 -0.245 0.602 1.00 0.00 C ATOM 33 O GLY A 4 -2.845 0.815 0.262 1.00 0.00 O ATOM 0 H GLY A 4 -1.251 -0.009 3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.595 0.759 1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.288 -0.875 0.819 1.00 0.00 H new ATOM 37 N SER A 5 -2.857 -1.433 0.341 1.00 0.00 N ATOM 38 CA SER A 5 -4.118 -1.561 -0.380 1.00 0.00 C ATOM 39 C SER A 5 -5.263 -0.937 0.413 1.00 0.00 C ATOM 40 O SER A 5 -5.532 -1.329 1.548 1.00 0.00 O ATOM 41 CB SER A 5 -4.422 -3.034 -0.662 1.00 0.00 C ATOM 42 OG SER A 5 -5.730 -3.194 -1.184 1.00 0.00 O ATOM 0 H SER A 5 -2.438 -2.321 0.618 1.00 0.00 H new ATOM 0 HA SER A 5 -4.022 -1.029 -1.327 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.694 -3.430 -1.370 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.320 -3.612 0.257 1.00 0.00 H new ATOM 0 HG SER A 5 -5.899 -4.144 -1.357 1.00 0.00 H new ATOM 48 N SER A 6 -5.933 0.037 -0.194 1.00 0.00 N ATOM 49 CA SER A 6 -7.046 0.720 0.455 1.00 0.00 C ATOM 50 C SER A 6 -8.361 0.411 -0.255 1.00 0.00 C ATOM 51 O SER A 6 -8.372 -0.160 -1.345 1.00 0.00 O ATOM 52 CB SER A 6 -6.805 2.230 0.473 1.00 0.00 C ATOM 53 OG SER A 6 -5.893 2.589 1.496 1.00 0.00 O ATOM 0 H SER A 6 -5.724 0.371 -1.135 1.00 0.00 H new ATOM 0 HA SER A 6 -7.114 0.358 1.481 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.417 2.551 -0.494 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.751 2.750 0.625 1.00 0.00 H new ATOM 0 HG SER A 6 -5.755 3.559 1.485 1.00 0.00 H new ATOM 59 N GLY A 7 -9.469 0.793 0.373 1.00 0.00 N ATOM 60 CA GLY A 7 -10.774 0.549 -0.212 1.00 0.00 C ATOM 61 C GLY A 7 -11.084 -0.929 -0.343 1.00 0.00 C ATOM 62 O GLY A 7 -10.195 -1.770 -0.210 1.00 0.00 O ATOM 0 H GLY A 7 -9.486 1.267 1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.539 1.024 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.820 1.015 -1.196 1.00 0.00 H new ATOM 66 N TYR A 8 -12.347 -1.246 -0.604 1.00 0.00 N ATOM 67 CA TYR A 8 -12.772 -2.633 -0.749 1.00 0.00 C ATOM 68 C TYR A 8 -11.896 -3.369 -1.758 1.00 0.00 C ATOM 69 O TYR A 8 -10.998 -2.783 -2.363 1.00 0.00 O ATOM 70 CB TYR A 8 -14.237 -2.696 -1.187 1.00 0.00 C ATOM 71 CG TYR A 8 -14.420 -2.720 -2.687 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.407 -3.919 -3.389 1.00 0.00 C ATOM 73 CD2 TYR A 8 -14.604 -1.544 -3.404 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.574 -3.946 -4.761 1.00 0.00 C ATOM 75 CE2 TYR A 8 -14.772 -1.561 -4.774 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.756 -2.764 -5.448 1.00 0.00 C ATOM 77 OH TYR A 8 -14.922 -2.786 -6.814 1.00 0.00 O ATOM 0 H TYR A 8 -13.094 -0.561 -0.719 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.667 -3.122 0.220 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.697 -3.586 -0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.767 -1.836 -0.779 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.264 -4.846 -2.854 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.616 -0.600 -2.880 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.562 -4.887 -5.292 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.915 -0.637 -5.315 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.675 -3.370 -7.043 1.00 0.00 H new ATOM 87 N THR A 9 -12.165 -4.659 -1.936 1.00 0.00 N ATOM 88 CA THR A 9 -11.402 -5.476 -2.871 1.00 0.00 C ATOM 89 C THR A 9 -12.150 -6.759 -3.215 1.00 0.00 C ATOM 90 O THR A 9 -12.944 -7.260 -2.419 1.00 0.00 O ATOM 91 CB THR A 9 -10.018 -5.840 -2.300 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.408 -4.681 -1.721 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.116 -6.406 -3.386 1.00 0.00 C ATOM 0 H THR A 9 -12.905 -5.160 -1.445 1.00 0.00 H new ATOM 0 HA THR A 9 -11.269 -4.882 -3.775 1.00 0.00 H new ATOM 0 HB THR A 9 -10.154 -6.601 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.699 -3.881 -2.206 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.145 -6.655 -2.959 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.570 -7.304 -3.804 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.986 -5.664 -4.174 1.00 0.00 H new ATOM 101 N CYS A 10 -11.891 -7.288 -4.407 1.00 0.00 N ATOM 102 CA CYS A 10 -12.539 -8.513 -4.858 1.00 0.00 C ATOM 103 C CYS A 10 -12.319 -9.645 -3.857 1.00 0.00 C ATOM 104 O CYS A 10 -11.194 -10.101 -3.657 1.00 0.00 O ATOM 105 CB CYS A 10 -12.004 -8.922 -6.232 1.00 0.00 C ATOM 106 SG CYS A 10 -12.681 -10.494 -6.855 1.00 0.00 S ATOM 0 H CYS A 10 -11.236 -6.886 -5.078 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.609 -8.321 -4.934 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.230 -8.132 -6.948 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.918 -9.002 -6.178 1.00 0.00 H new ATOM 111 N PHE A 11 -13.403 -10.093 -3.232 1.00 0.00 N ATOM 112 CA PHE A 11 -13.330 -11.170 -2.252 1.00 0.00 C ATOM 113 C PHE A 11 -13.147 -12.519 -2.940 1.00 0.00 C ATOM 114 O PHE A 11 -12.984 -13.547 -2.281 1.00 0.00 O ATOM 115 CB PHE A 11 -14.594 -11.191 -1.390 1.00 0.00 C ATOM 116 CG PHE A 11 -14.539 -12.188 -0.269 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.570 -12.088 0.717 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.455 -13.225 -0.200 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.517 -13.005 1.750 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.407 -14.145 0.831 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.436 -14.034 1.808 1.00 0.00 C ATOM 0 H PHE A 11 -14.342 -9.727 -3.387 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.466 -10.988 -1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.757 -10.197 -0.974 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.452 -11.416 -2.023 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.849 -11.285 0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.216 -13.316 -0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.757 -12.917 2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.127 -14.949 0.873 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.396 -14.750 2.615 1.00 0.00 H new ATOM 131 N ARG A 12 -13.176 -12.508 -4.268 1.00 0.00 N ATOM 132 CA ARG A 12 -13.015 -13.731 -5.046 1.00 0.00 C ATOM 133 C ARG A 12 -11.544 -14.127 -5.138 1.00 0.00 C ATOM 134 O ARG A 12 -11.126 -15.137 -4.572 1.00 0.00 O ATOM 135 CB ARG A 12 -13.593 -13.547 -6.450 1.00 0.00 C ATOM 136 CG ARG A 12 -14.006 -14.850 -7.115 1.00 0.00 C ATOM 137 CD ARG A 12 -14.797 -14.600 -8.389 1.00 0.00 C ATOM 138 NE ARG A 12 -15.137 -15.844 -9.075 1.00 0.00 N ATOM 139 CZ ARG A 12 -16.057 -16.697 -8.637 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.724 -16.441 -7.519 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.311 -17.808 -9.316 1.00 0.00 N ATOM 0 H ARG A 12 -13.309 -11.666 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.557 -14.529 -4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.459 -12.888 -6.393 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.853 -13.048 -7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.118 -15.439 -7.346 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.607 -15.439 -6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.711 -14.058 -8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.216 -13.964 -9.057 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.641 -16.070 -9.937 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.531 -15.588 -6.994 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.430 -17.097 -7.185 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.800 -18.008 -10.176 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.017 -18.462 -8.978 1.00 0.00 H new ATOM 155 N CYS A 13 -10.765 -13.326 -5.856 1.00 0.00 N ATOM 156 CA CYS A 13 -9.341 -13.593 -6.024 1.00 0.00 C ATOM 157 C CYS A 13 -8.514 -12.773 -5.038 1.00 0.00 C ATOM 158 O CYS A 13 -7.434 -13.188 -4.622 1.00 0.00 O ATOM 159 CB CYS A 13 -8.907 -13.276 -7.457 1.00 0.00 C ATOM 160 SG CYS A 13 -9.063 -11.518 -7.910 1.00 0.00 S ATOM 0 H CYS A 13 -11.095 -12.486 -6.331 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.169 -14.651 -5.824 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.869 -13.583 -7.587 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.505 -13.872 -8.147 1.00 0.00 H new ATOM 165 N GLY A 14 -9.031 -11.605 -4.668 1.00 0.00 N ATOM 166 CA GLY A 14 -8.328 -10.745 -3.733 1.00 0.00 C ATOM 167 C GLY A 14 -7.532 -9.661 -4.431 1.00 0.00 C ATOM 168 O GLY A 14 -6.415 -9.340 -4.023 1.00 0.00 O ATOM 0 H GLY A 14 -9.924 -11.239 -4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.047 -10.285 -3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.657 -11.349 -3.122 1.00 0.00 H new ATOM 172 N LYS A 15 -8.105 -9.093 -5.486 1.00 0.00 N ATOM 173 CA LYS A 15 -7.442 -8.038 -6.243 1.00 0.00 C ATOM 174 C LYS A 15 -8.323 -6.796 -6.331 1.00 0.00 C ATOM 175 O LYS A 15 -9.523 -6.874 -6.596 1.00 0.00 O ATOM 176 CB LYS A 15 -7.096 -8.531 -7.650 1.00 0.00 C ATOM 177 CG LYS A 15 -6.018 -9.601 -7.672 1.00 0.00 C ATOM 178 CD LYS A 15 -4.627 -8.990 -7.701 1.00 0.00 C ATOM 179 CE LYS A 15 -4.224 -8.589 -9.112 1.00 0.00 C ATOM 180 NZ LYS A 15 -4.592 -7.178 -9.415 1.00 0.00 N ATOM 0 H LYS A 15 -9.029 -9.346 -5.837 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.522 -7.774 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.997 -8.925 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.768 -7.684 -8.252 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.118 -10.238 -6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.155 -10.239 -8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.599 -8.115 -7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.906 -9.705 -7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.148 -8.718 -9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.707 -9.252 -9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.860 -6.750 -10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.505 -7.156 -9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.668 -6.641 -8.528 1.00 0.00 H new ATOM 194 N PRO A 16 -7.716 -5.622 -6.105 1.00 0.00 N ATOM 195 CA PRO A 16 -8.426 -4.340 -6.155 1.00 0.00 C ATOM 196 C PRO A 16 -8.842 -3.963 -7.573 1.00 0.00 C ATOM 197 O PRO A 16 -8.531 -4.671 -8.530 1.00 0.00 O ATOM 198 CB PRO A 16 -7.397 -3.343 -5.617 1.00 0.00 C ATOM 199 CG PRO A 16 -6.076 -3.970 -5.902 1.00 0.00 C ATOM 200 CD PRO A 16 -6.288 -5.454 -5.783 1.00 0.00 C ATOM 0 HA PRO A 16 -9.354 -4.366 -5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.490 -2.375 -6.109 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.532 -3.173 -4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.725 -3.705 -6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.320 -3.626 -5.196 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.652 -6.007 -6.474 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.057 -5.814 -4.780 1.00 0.00 H new ATOM 208 N GLY A 17 -9.548 -2.844 -7.699 1.00 0.00 N ATOM 209 CA GLY A 17 -9.996 -2.393 -9.004 1.00 0.00 C ATOM 210 C GLY A 17 -11.357 -2.947 -9.374 1.00 0.00 C ATOM 211 O GLY A 17 -12.198 -2.234 -9.923 1.00 0.00 O ATOM 0 H GLY A 17 -9.818 -2.242 -6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.036 -1.304 -9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.268 -2.693 -9.758 1.00 0.00 H new ATOM 215 N HIS A 18 -11.576 -4.223 -9.075 1.00 0.00 N ATOM 216 CA HIS A 18 -12.845 -4.874 -9.381 1.00 0.00 C ATOM 217 C HIS A 18 -13.420 -5.552 -8.142 1.00 0.00 C ATOM 218 O HIS A 18 -12.791 -5.570 -7.083 1.00 0.00 O ATOM 219 CB HIS A 18 -12.660 -5.900 -10.499 1.00 0.00 C ATOM 220 CG HIS A 18 -11.830 -7.080 -10.097 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.456 -7.107 -10.207 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.188 -8.280 -9.582 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.004 -8.272 -9.778 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.035 -9.002 -9.393 1.00 0.00 N ATOM 0 H HIS A 18 -10.891 -4.827 -8.621 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.547 -4.109 -9.713 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.639 -6.249 -10.826 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.193 -5.412 -11.355 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.878 -6.346 -10.564 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.193 -8.608 -9.361 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.968 -8.576 -9.747 1.00 0.00 H new ATOM 232 N TYR A 19 -14.619 -6.108 -8.280 1.00 0.00 N ATOM 233 CA TYR A 19 -15.280 -6.784 -7.171 1.00 0.00 C ATOM 234 C TYR A 19 -15.510 -8.258 -7.491 1.00 0.00 C ATOM 235 O TYR A 19 -15.235 -8.714 -8.601 1.00 0.00 O ATOM 236 CB TYR A 19 -16.614 -6.106 -6.855 1.00 0.00 C ATOM 237 CG TYR A 19 -17.325 -5.569 -8.076 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.738 -4.592 -8.872 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.583 -6.037 -8.435 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.384 -4.097 -9.988 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.235 -5.549 -9.551 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.632 -4.579 -10.324 1.00 0.00 C ATOM 243 OH TYR A 19 -19.279 -4.090 -11.436 1.00 0.00 O ATOM 0 H TYR A 19 -15.152 -6.103 -9.149 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.630 -6.717 -6.299 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.265 -6.821 -6.351 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.439 -5.287 -6.157 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.760 -4.214 -8.613 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.059 -6.795 -7.831 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.914 -3.337 -10.594 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.212 -5.925 -9.817 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.147 -4.535 -11.532 1.00 0.00 H new ATOM 253 N ILE A 20 -16.015 -8.998 -6.509 1.00 0.00 N ATOM 254 CA ILE A 20 -16.284 -10.420 -6.686 1.00 0.00 C ATOM 255 C ILE A 20 -17.318 -10.652 -7.782 1.00 0.00 C ATOM 256 O ILE A 20 -17.388 -11.734 -8.366 1.00 0.00 O ATOM 257 CB ILE A 20 -16.783 -11.065 -5.379 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.055 -12.555 -5.592 1.00 0.00 C ATOM 259 CG2 ILE A 20 -18.035 -10.357 -4.884 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.784 -13.400 -4.367 1.00 0.00 C ATOM 0 H ILE A 20 -16.246 -8.637 -5.584 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.342 -10.886 -6.975 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.007 -10.962 -4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.095 -12.687 -5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.438 -12.915 -6.415 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.376 -10.824 -3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.810 -9.307 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.818 -10.432 -5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -16.998 -14.445 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.738 -13.298 -4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.420 -13.067 -3.547 1.00 0.00 H new ATOM 272 N LYS A 21 -18.120 -9.629 -8.057 1.00 0.00 N ATOM 273 CA LYS A 21 -19.150 -9.719 -9.085 1.00 0.00 C ATOM 274 C LYS A 21 -18.576 -9.394 -10.460 1.00 0.00 C ATOM 275 O LYS A 21 -18.972 -9.985 -11.464 1.00 0.00 O ATOM 276 CB LYS A 21 -20.304 -8.766 -8.765 1.00 0.00 C ATOM 277 CG LYS A 21 -20.567 -8.608 -7.277 1.00 0.00 C ATOM 278 CD LYS A 21 -21.042 -9.909 -6.653 1.00 0.00 C ATOM 279 CE LYS A 21 -21.113 -9.806 -5.137 1.00 0.00 C ATOM 280 NZ LYS A 21 -22.311 -9.044 -4.688 1.00 0.00 N ATOM 0 H LYS A 21 -18.076 -8.727 -7.582 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.525 -10.742 -9.099 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.086 -7.788 -9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.210 -9.130 -9.249 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.656 -8.276 -6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.317 -7.833 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -22.025 -10.166 -7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.365 -10.716 -6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.137 -10.807 -4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -20.212 -9.319 -4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -22.323 -8.996 -3.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.276 -8.081 -5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.172 -9.522 -5.022 1.00 0.00 H new ATOM 294 N ASN A 22 -17.639 -8.452 -10.498 1.00 0.00 N ATOM 295 CA ASN A 22 -17.010 -8.050 -11.750 1.00 0.00 C ATOM 296 C ASN A 22 -15.631 -8.687 -11.896 1.00 0.00 C ATOM 297 O ASN A 22 -14.813 -8.245 -12.703 1.00 0.00 O ATOM 298 CB ASN A 22 -16.889 -6.526 -11.818 1.00 0.00 C ATOM 299 CG ASN A 22 -15.968 -6.068 -12.933 1.00 0.00 C ATOM 300 OD1 ASN A 22 -16.151 -6.434 -14.094 1.00 0.00 O ATOM 301 ND2 ASN A 22 -14.971 -5.264 -12.583 1.00 0.00 N ATOM 0 H ASN A 22 -17.299 -7.953 -9.676 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.639 -8.395 -12.570 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.878 -6.092 -11.966 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.516 -6.151 -10.865 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.318 -4.924 -13.289 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.858 -4.986 -11.608 1.00 0.00 H new ATOM 308 N CYS A 23 -15.381 -9.729 -11.110 1.00 0.00 N ATOM 309 CA CYS A 23 -14.103 -10.429 -11.150 1.00 0.00 C ATOM 310 C CYS A 23 -13.933 -11.175 -12.470 1.00 0.00 C ATOM 311 O CYS A 23 -14.841 -11.854 -12.950 1.00 0.00 O ATOM 312 CB CYS A 23 -13.997 -11.409 -9.980 1.00 0.00 C ATOM 313 SG CYS A 23 -12.409 -12.297 -9.895 1.00 0.00 S ATOM 0 H CYS A 23 -16.048 -10.107 -10.437 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.308 -9.688 -11.067 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.146 -10.863 -9.048 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.805 -12.137 -10.056 1.00 0.00 H new ATOM 318 N PRO A 24 -12.741 -11.048 -13.072 1.00 0.00 N ATOM 319 CA PRO A 24 -12.422 -11.704 -14.344 1.00 0.00 C ATOM 320 C PRO A 24 -12.299 -13.217 -14.201 1.00 0.00 C ATOM 321 O PRO A 24 -12.841 -13.974 -15.007 1.00 0.00 O ATOM 322 CB PRO A 24 -11.074 -11.091 -14.731 1.00 0.00 C ATOM 323 CG PRO A 24 -10.466 -10.667 -13.439 1.00 0.00 C ATOM 324 CD PRO A 24 -11.612 -10.255 -12.557 1.00 0.00 C ATOM 0 HA PRO A 24 -13.204 -11.552 -15.088 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.443 -11.815 -15.247 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.203 -10.244 -15.405 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.900 -11.482 -12.988 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.771 -9.840 -13.587 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.411 -10.475 -11.508 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.808 -9.185 -12.626 1.00 0.00 H new ATOM 332 N THR A 25 -11.582 -13.653 -13.170 1.00 0.00 N ATOM 333 CA THR A 25 -11.386 -15.076 -12.922 1.00 0.00 C ATOM 334 C THR A 25 -12.650 -15.868 -13.239 1.00 0.00 C ATOM 335 O THR A 25 -12.583 -17.040 -13.606 1.00 0.00 O ATOM 336 CB THR A 25 -10.981 -15.341 -11.459 1.00 0.00 C ATOM 337 OG1 THR A 25 -12.072 -15.031 -10.585 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.766 -14.510 -11.076 1.00 0.00 C ATOM 0 H THR A 25 -11.127 -13.041 -12.493 1.00 0.00 H new ATOM 0 HA THR A 25 -10.580 -15.404 -13.579 1.00 0.00 H new ATOM 0 HB THR A 25 -10.726 -16.396 -11.361 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.398 -14.127 -10.777 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.498 -14.713 -10.039 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.929 -14.769 -11.724 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.999 -13.451 -11.190 1.00 0.00 H new ATOM 346 N ASN A 26 -13.801 -15.219 -13.095 1.00 0.00 N ATOM 347 CA ASN A 26 -15.081 -15.864 -13.366 1.00 0.00 C ATOM 348 C ASN A 26 -15.071 -16.536 -14.736 1.00 0.00 C ATOM 349 O ASN A 26 -15.312 -17.737 -14.851 1.00 0.00 O ATOM 350 CB ASN A 26 -16.216 -14.841 -13.295 1.00 0.00 C ATOM 351 CG ASN A 26 -16.715 -14.628 -11.879 1.00 0.00 C ATOM 352 OD1 ASN A 26 -17.564 -15.374 -11.390 1.00 0.00 O ATOM 353 ND2 ASN A 26 -16.189 -13.607 -11.213 1.00 0.00 N ATOM 0 H ASN A 26 -13.874 -14.248 -12.792 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.243 -16.629 -12.607 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.871 -13.891 -13.702 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.042 -15.175 -13.922 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.486 -13.415 -10.256 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.488 -13.015 -11.658 1.00 0.00 H new ATOM 360 N GLY A 27 -14.791 -15.751 -15.772 1.00 0.00 N ATOM 361 CA GLY A 27 -14.755 -16.287 -17.120 1.00 0.00 C ATOM 362 C GLY A 27 -13.528 -17.140 -17.372 1.00 0.00 C ATOM 363 O GLY A 27 -13.600 -18.153 -18.068 1.00 0.00 O ATOM 0 H GLY A 27 -14.589 -14.754 -15.702 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.650 -16.883 -17.295 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.775 -15.465 -17.835 1.00 0.00 H new ATOM 367 N ASP A 28 -12.398 -16.729 -16.808 1.00 0.00 N ATOM 368 CA ASP A 28 -11.148 -17.462 -16.976 1.00 0.00 C ATOM 369 C ASP A 28 -11.281 -18.888 -16.451 1.00 0.00 C ATOM 370 O ASP A 28 -11.342 -19.113 -15.242 1.00 0.00 O ATOM 371 CB ASP A 28 -10.009 -16.742 -16.252 1.00 0.00 C ATOM 372 CG ASP A 28 -9.482 -15.557 -17.036 1.00 0.00 C ATOM 373 OD1 ASP A 28 -9.242 -15.709 -18.253 1.00 0.00 O ATOM 374 OD2 ASP A 28 -9.311 -14.477 -16.434 1.00 0.00 O ATOM 0 H ASP A 28 -12.321 -15.892 -16.230 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.920 -17.506 -18.041 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.359 -16.402 -15.277 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.196 -17.445 -16.071 1.00 0.00 H new ATOM 379 N LYS A 29 -11.325 -19.849 -17.368 1.00 0.00 N ATOM 380 CA LYS A 29 -11.450 -21.254 -16.999 1.00 0.00 C ATOM 381 C LYS A 29 -10.243 -21.712 -16.186 1.00 0.00 C ATOM 382 O LYS A 29 -10.387 -22.204 -15.067 1.00 0.00 O ATOM 383 CB LYS A 29 -11.593 -22.120 -18.252 1.00 0.00 C ATOM 384 CG LYS A 29 -12.919 -21.938 -18.970 1.00 0.00 C ATOM 385 CD LYS A 29 -14.066 -22.557 -18.188 1.00 0.00 C ATOM 386 CE LYS A 29 -15.387 -22.411 -18.927 1.00 0.00 C ATOM 387 NZ LYS A 29 -16.086 -21.146 -18.569 1.00 0.00 N ATOM 0 H LYS A 29 -11.276 -19.680 -18.373 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.343 -21.365 -16.384 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.781 -21.885 -18.941 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.481 -23.168 -17.974 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.110 -20.875 -19.119 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.864 -22.393 -19.959 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.860 -23.613 -18.013 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.140 -22.081 -17.210 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.206 -22.434 -20.002 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.030 -23.260 -18.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.982 -21.084 -19.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.281 -21.134 -17.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.484 -20.335 -18.816 1.00 0.00 H new ATOM 401 N ASN A 30 -9.054 -21.547 -16.756 1.00 0.00 N ATOM 402 CA ASN A 30 -7.822 -21.943 -16.083 1.00 0.00 C ATOM 403 C ASN A 30 -7.933 -21.732 -14.576 1.00 0.00 C ATOM 404 O ASN A 30 -7.553 -22.597 -13.787 1.00 0.00 O ATOM 405 CB ASN A 30 -6.637 -21.148 -16.635 1.00 0.00 C ATOM 406 CG ASN A 30 -5.303 -21.707 -16.177 1.00 0.00 C ATOM 407 OD1 ASN A 30 -5.202 -22.876 -15.804 1.00 0.00 O ATOM 408 ND2 ASN A 30 -4.272 -20.871 -16.203 1.00 0.00 N ATOM 0 H ASN A 30 -8.917 -21.142 -17.682 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.659 -23.004 -16.272 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.675 -21.153 -17.724 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.721 -20.109 -16.318 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.350 -21.189 -15.906 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.402 -19.910 -16.520 1.00 0.00 H new ATOM 415 N PHE A 31 -8.458 -20.576 -14.183 1.00 0.00 N ATOM 416 CA PHE A 31 -8.620 -20.251 -12.771 1.00 0.00 C ATOM 417 C PHE A 31 -9.475 -21.299 -12.066 1.00 0.00 C ATOM 418 O PHE A 31 -9.010 -21.984 -11.156 1.00 0.00 O ATOM 419 CB PHE A 31 -9.255 -18.867 -12.614 1.00 0.00 C ATOM 420 CG PHE A 31 -8.872 -18.173 -11.338 1.00 0.00 C ATOM 421 CD1 PHE A 31 -7.700 -17.439 -11.258 1.00 0.00 C ATOM 422 CD2 PHE A 31 -9.685 -18.256 -10.219 1.00 0.00 C ATOM 423 CE1 PHE A 31 -7.345 -16.798 -10.086 1.00 0.00 C ATOM 424 CE2 PHE A 31 -9.335 -17.617 -9.044 1.00 0.00 C ATOM 425 CZ PHE A 31 -8.164 -16.889 -8.977 1.00 0.00 C ATOM 0 H PHE A 31 -8.778 -19.849 -14.823 1.00 0.00 H new ATOM 0 HA PHE A 31 -7.632 -20.244 -12.310 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.962 -18.244 -13.459 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.340 -18.967 -12.652 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.056 -17.367 -12.122 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.601 -18.826 -10.265 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.429 -16.227 -10.037 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.978 -17.687 -8.179 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.888 -16.391 -8.059 1.00 0.00 H new ATOM 435 N GLU A 32 -10.729 -21.416 -12.493 1.00 0.00 N ATOM 436 CA GLU A 32 -11.650 -22.379 -11.901 1.00 0.00 C ATOM 437 C GLU A 32 -11.064 -23.788 -11.943 1.00 0.00 C ATOM 438 O GLU A 32 -11.192 -24.553 -10.987 1.00 0.00 O ATOM 439 CB GLU A 32 -12.993 -22.351 -12.634 1.00 0.00 C ATOM 440 CG GLU A 32 -13.960 -21.312 -12.092 1.00 0.00 C ATOM 441 CD GLU A 32 -13.525 -19.893 -12.399 1.00 0.00 C ATOM 442 OE1 GLU A 32 -13.192 -19.616 -13.571 1.00 0.00 O ATOM 443 OE2 GLU A 32 -13.517 -19.059 -11.470 1.00 0.00 O ATOM 0 H GLU A 32 -11.130 -20.856 -13.246 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.807 -22.100 -10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.816 -22.154 -13.691 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.455 -23.336 -12.566 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.949 -21.485 -12.517 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.051 -21.434 -11.013 1.00 0.00 H new ATOM 450 N SER A 33 -10.423 -24.123 -13.058 1.00 0.00 N ATOM 451 CA SER A 33 -9.821 -25.441 -13.227 1.00 0.00 C ATOM 452 C SER A 33 -8.911 -25.778 -12.050 1.00 0.00 C ATOM 453 O SER A 33 -8.982 -26.871 -11.490 1.00 0.00 O ATOM 454 CB SER A 33 -9.027 -25.498 -14.533 1.00 0.00 C ATOM 455 OG SER A 33 -9.857 -25.223 -15.648 1.00 0.00 O ATOM 0 H SER A 33 -10.307 -23.501 -13.858 1.00 0.00 H new ATOM 0 HA SER A 33 -10.624 -26.178 -13.265 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.210 -24.777 -14.497 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.577 -26.484 -14.646 1.00 0.00 H new ATOM 0 HG SER A 33 -10.145 -24.287 -15.619 1.00 0.00 H new ATOM 461 N GLY A 34 -8.057 -24.829 -11.679 1.00 0.00 N ATOM 462 CA GLY A 34 -7.144 -25.044 -10.571 1.00 0.00 C ATOM 463 C GLY A 34 -6.843 -23.766 -9.813 1.00 0.00 C ATOM 464 O GLY A 34 -6.345 -22.789 -10.373 1.00 0.00 O ATOM 0 H GLY A 34 -7.981 -23.915 -12.126 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.573 -25.776 -9.887 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.213 -25.467 -10.948 1.00 0.00 H new ATOM 468 N PRO A 35 -7.149 -23.762 -8.507 1.00 0.00 N ATOM 469 CA PRO A 35 -6.918 -22.601 -7.643 1.00 0.00 C ATOM 470 C PRO A 35 -5.434 -22.349 -7.396 1.00 0.00 C ATOM 471 O PRO A 35 -4.578 -23.064 -7.918 1.00 0.00 O ATOM 472 CB PRO A 35 -7.620 -22.984 -6.338 1.00 0.00 C ATOM 473 CG PRO A 35 -7.625 -24.474 -6.334 1.00 0.00 C ATOM 474 CD PRO A 35 -7.745 -24.891 -7.774 1.00 0.00 C ATOM 0 HA PRO A 35 -7.292 -21.680 -8.089 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -7.090 -22.588 -5.472 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.634 -22.585 -6.302 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.711 -24.866 -5.889 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.457 -24.860 -5.745 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.213 -25.822 -7.968 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.784 -25.052 -8.060 1.00 0.00 H new ATOM 482 N ARG A 36 -5.137 -21.330 -6.597 1.00 0.00 N ATOM 483 CA ARG A 36 -3.756 -20.984 -6.282 1.00 0.00 C ATOM 484 C ARG A 36 -2.951 -20.744 -7.555 1.00 0.00 C ATOM 485 O ARG A 36 -1.848 -21.269 -7.712 1.00 0.00 O ATOM 486 CB ARG A 36 -3.106 -22.095 -5.456 1.00 0.00 C ATOM 487 CG ARG A 36 -3.595 -22.152 -4.018 1.00 0.00 C ATOM 488 CD ARG A 36 -3.308 -23.504 -3.385 1.00 0.00 C ATOM 489 NE ARG A 36 -4.131 -24.564 -3.960 1.00 0.00 N ATOM 490 CZ ARG A 36 -4.439 -25.686 -3.318 1.00 0.00 C ATOM 491 NH1 ARG A 36 -3.994 -25.892 -2.086 1.00 0.00 N ATOM 492 NH2 ARG A 36 -5.193 -26.604 -3.909 1.00 0.00 N ATOM 0 H ARG A 36 -5.834 -20.730 -6.156 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.763 -20.063 -5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.302 -23.054 -5.935 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.025 -21.952 -5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.111 -21.367 -3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.667 -21.956 -3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.255 -23.750 -3.519 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.488 -23.447 -2.312 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.489 -24.436 -4.906 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.414 -25.188 -1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.232 -26.754 -1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.537 -26.449 -4.857 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.429 -27.465 -3.416 1.00 0.00 H new ATOM 506 N ILE A 37 -3.510 -19.949 -8.461 1.00 0.00 N ATOM 507 CA ILE A 37 -2.843 -19.639 -9.720 1.00 0.00 C ATOM 508 C ILE A 37 -3.254 -18.264 -10.236 1.00 0.00 C ATOM 509 O ILE A 37 -4.417 -17.873 -10.136 1.00 0.00 O ATOM 510 CB ILE A 37 -3.158 -20.694 -10.798 1.00 0.00 C ATOM 511 CG1 ILE A 37 -2.141 -20.609 -11.938 1.00 0.00 C ATOM 512 CG2 ILE A 37 -4.572 -20.506 -11.326 1.00 0.00 C ATOM 513 CD1 ILE A 37 -0.954 -21.528 -11.759 1.00 0.00 C ATOM 0 H ILE A 37 -4.423 -19.508 -8.347 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.772 -19.644 -9.519 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.089 -21.684 -10.348 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.639 -20.851 -12.877 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.786 -19.582 -12.021 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.779 -21.259 -12.087 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.283 -20.612 -10.507 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.668 -19.512 -11.763 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.275 -21.414 -12.604 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.432 -21.272 -10.837 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.298 -22.561 -11.706 1.00 0.00 H new ATOM 525 N LYS A 38 -2.291 -17.535 -10.790 1.00 0.00 N ATOM 526 CA LYS A 38 -2.551 -16.204 -11.325 1.00 0.00 C ATOM 527 C LYS A 38 -2.603 -16.231 -12.850 1.00 0.00 C ATOM 528 O LYS A 38 -2.288 -17.245 -13.474 1.00 0.00 O ATOM 529 CB LYS A 38 -1.472 -15.224 -10.858 1.00 0.00 C ATOM 530 CG LYS A 38 -0.133 -15.420 -11.548 1.00 0.00 C ATOM 531 CD LYS A 38 0.838 -14.302 -11.209 1.00 0.00 C ATOM 532 CE LYS A 38 0.554 -13.050 -12.026 1.00 0.00 C ATOM 533 NZ LYS A 38 1.729 -12.137 -12.069 1.00 0.00 N ATOM 0 H LYS A 38 -1.323 -17.844 -10.880 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.520 -15.873 -10.952 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.817 -14.205 -11.035 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.336 -15.332 -9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.294 -16.377 -11.250 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.281 -15.460 -12.627 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.769 -14.068 -10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.859 -14.636 -11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.278 -13.334 -13.041 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.299 -12.524 -11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.495 -11.296 -12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.978 -11.845 -11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.537 -12.631 -12.500 1.00 0.00 H new ATOM 547 N LYS A 39 -2.999 -15.111 -13.444 1.00 0.00 N ATOM 548 CA LYS A 39 -3.090 -15.004 -14.895 1.00 0.00 C ATOM 549 C LYS A 39 -2.204 -13.876 -15.414 1.00 0.00 C ATOM 550 O LYS A 39 -1.952 -12.898 -14.710 1.00 0.00 O ATOM 551 CB LYS A 39 -4.540 -14.765 -15.320 1.00 0.00 C ATOM 552 CG LYS A 39 -4.795 -15.038 -16.792 1.00 0.00 C ATOM 553 CD LYS A 39 -6.168 -14.547 -17.221 1.00 0.00 C ATOM 554 CE LYS A 39 -6.182 -14.142 -18.687 1.00 0.00 C ATOM 555 NZ LYS A 39 -7.287 -13.191 -18.989 1.00 0.00 N ATOM 0 H LYS A 39 -3.263 -14.263 -12.942 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.742 -15.943 -15.326 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.194 -15.400 -14.723 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.809 -13.732 -15.099 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.028 -14.548 -17.392 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.714 -16.108 -16.984 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.905 -15.332 -17.052 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.461 -13.697 -16.605 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.228 -13.684 -18.946 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.288 -15.031 -19.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.212 -12.874 -19.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.202 -13.665 -18.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.221 -12.369 -18.355 1.00 0.00 H new ATOM 569 N SER A 40 -1.735 -14.019 -16.650 1.00 0.00 N ATOM 570 CA SER A 40 -0.875 -13.012 -17.262 1.00 0.00 C ATOM 571 C SER A 40 -1.542 -11.640 -17.237 1.00 0.00 C ATOM 572 O SER A 40 -2.667 -11.474 -17.709 1.00 0.00 O ATOM 573 CB SER A 40 -0.542 -13.404 -18.703 1.00 0.00 C ATOM 574 OG SER A 40 -1.702 -13.386 -19.517 1.00 0.00 O ATOM 0 H SER A 40 -1.936 -14.822 -17.247 1.00 0.00 H new ATOM 0 HA SER A 40 0.048 -12.958 -16.685 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.201 -12.717 -19.108 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.098 -14.399 -18.719 1.00 0.00 H new ATOM 0 HG SER A 40 -2.381 -12.811 -19.106 1.00 0.00 H new ATOM 580 N THR A 41 -0.839 -10.658 -16.682 1.00 0.00 N ATOM 581 CA THR A 41 -1.362 -9.300 -16.593 1.00 0.00 C ATOM 582 C THR A 41 -1.018 -8.496 -17.841 1.00 0.00 C ATOM 583 O THR A 41 -0.024 -8.769 -18.514 1.00 0.00 O ATOM 584 CB THR A 41 -0.811 -8.566 -15.356 1.00 0.00 C ATOM 585 OG1 THR A 41 -1.169 -9.276 -14.165 1.00 0.00 O ATOM 586 CG2 THR A 41 -1.348 -7.145 -15.286 1.00 0.00 C ATOM 0 H THR A 41 0.094 -10.777 -16.287 1.00 0.00 H new ATOM 0 HA THR A 41 -2.445 -9.384 -16.505 1.00 0.00 H new ATOM 0 HB THR A 41 0.275 -8.523 -15.440 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.813 -8.804 -13.383 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.945 -6.647 -14.404 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.049 -6.598 -16.180 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.436 -7.170 -15.223 1.00 0.00 H new ATOM 594 N GLY A 42 -1.847 -7.502 -18.146 1.00 0.00 N ATOM 595 CA GLY A 42 -1.612 -6.673 -19.314 1.00 0.00 C ATOM 596 C GLY A 42 -2.802 -6.644 -20.253 1.00 0.00 C ATOM 597 O GLY A 42 -3.633 -7.553 -20.240 1.00 0.00 O ATOM 0 H GLY A 42 -2.676 -7.256 -17.606 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.381 -5.657 -18.994 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.739 -7.045 -19.850 1.00 0.00 H new ATOM 601 N ILE A 43 -2.886 -5.598 -21.068 1.00 0.00 N ATOM 602 CA ILE A 43 -3.983 -5.454 -22.016 1.00 0.00 C ATOM 603 C ILE A 43 -3.721 -6.257 -23.286 1.00 0.00 C ATOM 604 O ILE A 43 -2.578 -6.487 -23.679 1.00 0.00 O ATOM 605 CB ILE A 43 -4.212 -3.979 -22.393 1.00 0.00 C ATOM 606 CG1 ILE A 43 -2.967 -3.404 -23.071 1.00 0.00 C ATOM 607 CG2 ILE A 43 -4.573 -3.166 -21.159 1.00 0.00 C ATOM 608 CD1 ILE A 43 -2.891 -3.707 -24.552 1.00 0.00 C ATOM 0 H ILE A 43 -2.207 -4.837 -21.091 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.877 -5.837 -21.524 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.043 -3.924 -23.096 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.952 -2.324 -22.928 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.079 -3.803 -22.581 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.732 -2.126 -21.442 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.485 -3.564 -20.715 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.761 -3.225 -20.434 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.983 -3.269 -24.967 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.875 -4.786 -24.702 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.761 -3.284 -25.055 1.00 0.00 H new ATOM 620 N PRO A 44 -4.805 -6.694 -23.944 1.00 0.00 N ATOM 621 CA PRO A 44 -4.719 -7.476 -25.181 1.00 0.00 C ATOM 622 C PRO A 44 -4.217 -6.646 -26.358 1.00 0.00 C ATOM 623 O PRO A 44 -3.284 -7.042 -27.056 1.00 0.00 O ATOM 624 CB PRO A 44 -6.163 -7.924 -25.419 1.00 0.00 C ATOM 625 CG PRO A 44 -6.996 -6.900 -24.728 1.00 0.00 C ATOM 626 CD PRO A 44 -6.199 -6.457 -23.532 1.00 0.00 C ATOM 0 HA PRO A 44 -4.012 -8.301 -25.093 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.393 -7.969 -26.483 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.341 -8.919 -25.012 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.209 -6.059 -25.388 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.956 -7.318 -24.424 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.376 -5.407 -23.298 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.458 -7.030 -22.642 1.00 0.00 H new ATOM 634 N ARG A 45 -4.842 -5.493 -26.572 1.00 0.00 N ATOM 635 CA ARG A 45 -4.459 -4.608 -27.665 1.00 0.00 C ATOM 636 C ARG A 45 -5.119 -3.240 -27.513 1.00 0.00 C ATOM 637 O ARG A 45 -5.973 -3.044 -26.649 1.00 0.00 O ATOM 638 CB ARG A 45 -4.846 -5.226 -29.010 1.00 0.00 C ATOM 639 CG ARG A 45 -6.327 -5.545 -29.129 1.00 0.00 C ATOM 640 CD ARG A 45 -6.623 -6.359 -30.380 1.00 0.00 C ATOM 641 NE ARG A 45 -6.333 -7.778 -30.191 1.00 0.00 N ATOM 642 CZ ARG A 45 -7.180 -8.631 -29.626 1.00 0.00 C ATOM 643 NH1 ARG A 45 -8.362 -8.212 -29.197 1.00 0.00 N ATOM 644 NH2 ARG A 45 -6.844 -9.908 -29.489 1.00 0.00 N ATOM 0 H ARG A 45 -5.616 -5.150 -26.003 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.377 -4.477 -27.631 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.565 -4.541 -29.810 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.273 -6.141 -29.158 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.653 -6.098 -28.248 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.899 -4.618 -29.153 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.671 -6.236 -30.653 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.031 -5.975 -31.211 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.432 -8.133 -30.510 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.624 -7.232 -29.300 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.010 -8.870 -28.764 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.935 -10.234 -29.818 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.495 -10.563 -29.055 1.00 0.00 H new ATOM 658 N SER A 46 -4.715 -2.297 -28.359 1.00 0.00 N ATOM 659 CA SER A 46 -5.263 -0.947 -28.316 1.00 0.00 C ATOM 660 C SER A 46 -5.606 -0.455 -29.719 1.00 0.00 C ATOM 661 O SER A 46 -4.737 -0.361 -30.586 1.00 0.00 O ATOM 662 CB SER A 46 -4.267 0.010 -27.657 1.00 0.00 C ATOM 663 OG SER A 46 -3.042 0.039 -28.368 1.00 0.00 O ATOM 0 H SER A 46 -4.010 -2.444 -29.082 1.00 0.00 H new ATOM 0 HA SER A 46 -6.178 -0.972 -27.724 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.692 1.013 -27.618 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.087 -0.300 -26.628 1.00 0.00 H new ATOM 0 HG SER A 46 -3.218 -0.054 -29.328 1.00 0.00 H new ATOM 669 N PHE A 47 -6.879 -0.142 -29.935 1.00 0.00 N ATOM 670 CA PHE A 47 -7.339 0.339 -31.232 1.00 0.00 C ATOM 671 C PHE A 47 -7.681 1.825 -31.171 1.00 0.00 C ATOM 672 O PHE A 47 -8.281 2.373 -32.096 1.00 0.00 O ATOM 673 CB PHE A 47 -8.561 -0.459 -31.692 1.00 0.00 C ATOM 674 CG PHE A 47 -8.710 -0.518 -33.186 1.00 0.00 C ATOM 675 CD1 PHE A 47 -7.664 -0.955 -33.983 1.00 0.00 C ATOM 676 CD2 PHE A 47 -9.897 -0.139 -33.792 1.00 0.00 C ATOM 677 CE1 PHE A 47 -7.799 -1.010 -35.357 1.00 0.00 C ATOM 678 CE2 PHE A 47 -10.037 -0.192 -35.166 1.00 0.00 C ATOM 679 CZ PHE A 47 -8.987 -0.629 -35.950 1.00 0.00 C ATOM 0 H PHE A 47 -7.611 -0.213 -29.228 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.531 0.199 -31.951 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.490 -1.474 -31.301 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.459 -0.014 -31.262 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.733 -1.256 -33.525 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -10.722 0.202 -33.184 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.976 -1.351 -35.967 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.967 0.108 -35.626 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.095 -0.673 -37.024 1.00 0.00 H new ATOM 689 N MET A 48 -7.296 2.470 -30.075 1.00 0.00 N ATOM 690 CA MET A 48 -7.562 3.892 -29.893 1.00 0.00 C ATOM 691 C MET A 48 -6.848 4.719 -30.957 1.00 0.00 C ATOM 692 O MET A 48 -5.642 4.578 -31.160 1.00 0.00 O ATOM 693 CB MET A 48 -7.119 4.341 -28.499 1.00 0.00 C ATOM 694 CG MET A 48 -5.609 4.374 -28.322 1.00 0.00 C ATOM 695 SD MET A 48 -5.115 4.840 -26.652 1.00 0.00 S ATOM 696 CE MET A 48 -4.483 3.281 -26.038 1.00 0.00 C ATOM 0 H MET A 48 -6.799 2.031 -29.300 1.00 0.00 H new ATOM 0 HA MET A 48 -8.636 4.051 -29.994 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.522 5.334 -28.301 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.549 3.669 -27.756 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.198 3.392 -28.558 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.179 5.079 -29.034 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.057 3.427 -25.045 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.295 2.556 -25.982 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.712 2.910 -26.713 1.00 0.00 H new ATOM 706 N MET A 49 -7.599 5.582 -31.633 1.00 0.00 N ATOM 707 CA MET A 49 -7.037 6.432 -32.676 1.00 0.00 C ATOM 708 C MET A 49 -7.888 7.682 -32.877 1.00 0.00 C ATOM 709 O MET A 49 -8.951 7.626 -33.494 1.00 0.00 O ATOM 710 CB MET A 49 -6.928 5.658 -33.991 1.00 0.00 C ATOM 711 CG MET A 49 -5.626 4.886 -34.135 1.00 0.00 C ATOM 712 SD MET A 49 -4.174 5.951 -34.058 1.00 0.00 S ATOM 713 CE MET A 49 -3.094 5.138 -35.232 1.00 0.00 C ATOM 0 H MET A 49 -8.599 5.711 -31.477 1.00 0.00 H new ATOM 0 HA MET A 49 -6.040 6.740 -32.360 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.764 4.962 -34.064 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.021 6.356 -34.823 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.564 4.136 -33.346 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.629 4.351 -35.084 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.151 5.681 -35.296 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.903 4.116 -34.903 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.570 5.121 -36.213 1.00 0.00 H new ATOM 723 N GLU A 50 -7.413 8.807 -32.351 1.00 0.00 N ATOM 724 CA GLU A 50 -8.133 10.069 -32.473 1.00 0.00 C ATOM 725 C GLU A 50 -7.450 10.989 -33.481 1.00 0.00 C ATOM 726 O GLU A 50 -7.690 12.197 -33.498 1.00 0.00 O ATOM 727 CB GLU A 50 -8.224 10.763 -31.113 1.00 0.00 C ATOM 728 CG GLU A 50 -9.336 10.225 -30.228 1.00 0.00 C ATOM 729 CD GLU A 50 -9.219 8.732 -29.987 1.00 0.00 C ATOM 730 OE1 GLU A 50 -8.172 8.295 -29.466 1.00 0.00 O ATOM 731 OE2 GLU A 50 -10.175 8.001 -30.320 1.00 0.00 O ATOM 0 H GLU A 50 -6.534 8.870 -31.837 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.140 9.851 -32.830 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.272 10.652 -30.594 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.380 11.830 -31.269 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.318 10.746 -29.271 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.299 10.440 -30.690 1.00 0.00 H new ATOM 738 N VAL A 51 -6.598 10.409 -34.321 1.00 0.00 N ATOM 739 CA VAL A 51 -5.881 11.176 -35.332 1.00 0.00 C ATOM 740 C VAL A 51 -6.775 11.478 -36.530 1.00 0.00 C ATOM 741 O VAL A 51 -6.305 11.944 -37.568 1.00 0.00 O ATOM 742 CB VAL A 51 -4.626 10.427 -35.818 1.00 0.00 C ATOM 743 CG1 VAL A 51 -3.658 10.202 -34.666 1.00 0.00 C ATOM 744 CG2 VAL A 51 -5.012 9.107 -36.467 1.00 0.00 C ATOM 0 H VAL A 51 -6.388 9.411 -34.321 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.578 12.112 -34.863 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.125 11.041 -36.567 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.778 9.672 -35.029 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.357 11.164 -34.251 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.145 9.609 -33.892 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.113 8.591 -36.805 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.537 8.485 -35.742 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.663 9.298 -37.320 1.00 0.00 H new ATOM 754 N LYS A 52 -8.067 11.209 -36.379 1.00 0.00 N ATOM 755 CA LYS A 52 -9.030 11.453 -37.447 1.00 0.00 C ATOM 756 C LYS A 52 -9.847 12.710 -37.166 1.00 0.00 C ATOM 757 O LYS A 52 -10.707 12.718 -36.286 1.00 0.00 O ATOM 758 CB LYS A 52 -9.963 10.250 -37.605 1.00 0.00 C ATOM 759 CG LYS A 52 -9.456 9.212 -38.591 1.00 0.00 C ATOM 760 CD LYS A 52 -9.920 9.514 -40.006 1.00 0.00 C ATOM 761 CE LYS A 52 -9.098 10.628 -40.636 1.00 0.00 C ATOM 762 NZ LYS A 52 -9.688 11.970 -40.373 1.00 0.00 N ATOM 0 H LYS A 52 -8.472 10.822 -35.527 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.477 11.600 -38.375 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.101 9.778 -36.632 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.942 10.601 -37.931 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.367 9.183 -38.563 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.809 8.224 -38.294 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.842 8.614 -40.616 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.972 9.800 -39.992 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.081 10.595 -40.244 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.030 10.466 -41.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.150 12.321 -41.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.390 11.897 -39.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.936 12.630 -40.090 1.00 0.00 H new ATOM 776 N ASP A 53 -9.573 13.768 -37.920 1.00 0.00 N ATOM 777 CA ASP A 53 -10.285 15.030 -37.754 1.00 0.00 C ATOM 778 C ASP A 53 -10.287 15.828 -39.055 1.00 0.00 C ATOM 779 O ASP A 53 -9.245 16.252 -39.553 1.00 0.00 O ATOM 780 CB ASP A 53 -9.648 15.856 -36.636 1.00 0.00 C ATOM 781 CG ASP A 53 -8.151 16.014 -36.814 1.00 0.00 C ATOM 782 OD1 ASP A 53 -7.421 15.022 -36.609 1.00 0.00 O ATOM 783 OD2 ASP A 53 -7.708 17.131 -37.157 1.00 0.00 O ATOM 0 H ASP A 53 -8.863 13.777 -38.652 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.317 14.804 -37.486 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.113 16.841 -36.606 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.849 15.379 -35.677 1.00 0.00 H new ATOM 788 N PRO A 54 -11.486 16.037 -39.619 1.00 0.00 N ATOM 789 CA PRO A 54 -11.654 16.784 -40.869 1.00 0.00 C ATOM 790 C PRO A 54 -11.366 18.272 -40.698 1.00 0.00 C ATOM 791 O PRO A 54 -10.593 18.855 -41.457 1.00 0.00 O ATOM 792 CB PRO A 54 -13.127 16.561 -41.221 1.00 0.00 C ATOM 793 CG PRO A 54 -13.790 16.283 -39.916 1.00 0.00 C ATOM 794 CD PRO A 54 -12.771 15.560 -39.080 1.00 0.00 C ATOM 0 HA PRO A 54 -10.962 16.448 -41.641 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.556 17.439 -41.704 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -13.247 15.727 -41.912 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.105 17.208 -39.433 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.684 15.675 -40.054 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.877 15.800 -38.022 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.869 14.478 -39.173 1.00 0.00 H new ATOM 802 N ASN A 55 -11.993 18.880 -39.696 1.00 0.00 N ATOM 803 CA ASN A 55 -11.803 20.300 -39.426 1.00 0.00 C ATOM 804 C ASN A 55 -11.086 20.510 -38.096 1.00 0.00 C ATOM 805 O ASN A 55 -10.366 21.496 -37.949 1.00 0.00 O ATOM 806 CB ASN A 55 -13.152 21.022 -39.411 1.00 0.00 C ATOM 807 CG ASN A 55 -13.138 22.256 -38.529 1.00 0.00 C ATOM 808 OD1 ASN A 55 -12.334 23.166 -38.729 1.00 0.00 O ATOM 809 ND2 ASN A 55 -14.030 22.290 -37.545 1.00 0.00 N ATOM 0 H ASN A 55 -12.637 18.412 -39.058 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.184 20.716 -40.221 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -13.419 21.309 -40.428 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -13.924 20.337 -39.060 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -14.067 23.094 -36.918 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.678 21.512 -37.417 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -11.096 -10.947 -8.596 1.00 0.00 ZN