USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 524 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 35 HIS HE2 : A 35 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0859 (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 HIS : no HD1:sc= -0.661 X(o=-0.66,f=-0.66) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.77 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 22 HIS : no HD1:sc= -0.532 X(o=-0.53,f=-0.8) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0358 K(o=-0.036,f=-0.62) USER MOD Single : A 52 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.6) USER MOD Single : A 56 LYS NZ :NH3+ -156:sc=-0.00601 (180deg=-0.444) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 30:sc= 0.33 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.057 -46.688 27.532 1.00 0.00 N ATOM 2 CA GLY A 1 -17.828 -47.054 26.359 1.00 0.00 C ATOM 3 C GLY A 1 -17.367 -46.327 25.111 1.00 0.00 C ATOM 4 O GLY A 1 -16.518 -45.439 25.181 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.541 -47.520 27.882 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.379 -45.940 27.282 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.698 -46.341 28.274 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.751 -48.129 26.199 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.880 -46.833 26.536 1.00 0.00 H new ATOM 8 N SER A 2 -17.927 -46.706 23.967 1.00 0.00 N ATOM 9 CA SER A 2 -17.563 -46.087 22.697 1.00 0.00 C ATOM 10 C SER A 2 -18.348 -44.798 22.477 1.00 0.00 C ATOM 11 O SER A 2 -19.483 -44.663 22.934 1.00 0.00 O ATOM 12 CB SER A 2 -17.819 -47.057 21.542 1.00 0.00 C ATOM 13 OG SER A 2 -17.119 -48.274 21.733 1.00 0.00 O ATOM 0 H SER A 2 -18.634 -47.438 23.893 1.00 0.00 H new ATOM 0 HA SER A 2 -16.501 -45.844 22.730 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.887 -47.257 21.461 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.509 -46.599 20.603 1.00 0.00 H new ATOM 0 HG SER A 2 -17.301 -48.877 20.982 1.00 0.00 H new ATOM 19 N SER A 3 -17.735 -43.851 21.773 1.00 0.00 N ATOM 20 CA SER A 3 -18.373 -42.570 21.495 1.00 0.00 C ATOM 21 C SER A 3 -18.632 -42.406 20.000 1.00 0.00 C ATOM 22 O SER A 3 -18.007 -43.069 19.174 1.00 0.00 O ATOM 23 CB SER A 3 -17.501 -41.421 22.002 1.00 0.00 C ATOM 24 OG SER A 3 -16.226 -41.437 21.384 1.00 0.00 O ATOM 0 H SER A 3 -16.797 -43.947 21.385 1.00 0.00 H new ATOM 0 HA SER A 3 -19.330 -42.547 22.017 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.994 -40.470 21.801 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.385 -41.498 23.083 1.00 0.00 H new ATOM 0 HG SER A 3 -15.688 -40.691 21.724 1.00 0.00 H new ATOM 30 N GLY A 4 -19.560 -41.516 19.661 1.00 0.00 N ATOM 31 CA GLY A 4 -19.886 -41.279 18.267 1.00 0.00 C ATOM 32 C GLY A 4 -19.754 -39.819 17.880 1.00 0.00 C ATOM 33 O GLY A 4 -20.610 -39.001 18.215 1.00 0.00 O ATOM 0 H GLY A 4 -20.092 -40.955 20.327 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.230 -41.879 17.637 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.906 -41.612 18.074 1.00 0.00 H new ATOM 37 N SER A 5 -18.676 -39.491 17.174 1.00 0.00 N ATOM 38 CA SER A 5 -18.432 -38.119 16.746 1.00 0.00 C ATOM 39 C SER A 5 -18.688 -37.962 15.251 1.00 0.00 C ATOM 40 O SER A 5 -18.409 -38.867 14.464 1.00 0.00 O ATOM 41 CB SER A 5 -16.995 -37.708 17.074 1.00 0.00 C ATOM 42 OG SER A 5 -16.683 -36.447 16.510 1.00 0.00 O ATOM 0 H SER A 5 -17.958 -40.157 16.887 1.00 0.00 H new ATOM 0 HA SER A 5 -19.121 -37.469 17.285 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.863 -37.669 18.155 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.303 -38.460 16.695 1.00 0.00 H new ATOM 0 HG SER A 5 -15.760 -36.207 16.736 1.00 0.00 H new ATOM 48 N SER A 6 -19.222 -36.808 14.866 1.00 0.00 N ATOM 49 CA SER A 6 -19.521 -36.532 13.465 1.00 0.00 C ATOM 50 C SER A 6 -18.975 -35.170 13.051 1.00 0.00 C ATOM 51 O SER A 6 -19.110 -34.187 13.778 1.00 0.00 O ATOM 52 CB SER A 6 -21.031 -36.584 13.224 1.00 0.00 C ATOM 53 OG SER A 6 -21.506 -37.919 13.249 1.00 0.00 O ATOM 0 H SER A 6 -19.457 -36.048 15.505 1.00 0.00 H new ATOM 0 HA SER A 6 -19.037 -37.297 12.858 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.544 -35.998 13.986 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.265 -36.130 12.261 1.00 0.00 H new ATOM 0 HG SER A 6 -22.474 -37.925 13.094 1.00 0.00 H new ATOM 59 N GLY A 7 -18.356 -35.120 11.875 1.00 0.00 N ATOM 60 CA GLY A 7 -17.798 -33.874 11.383 1.00 0.00 C ATOM 61 C GLY A 7 -18.459 -33.408 10.101 1.00 0.00 C ATOM 62 O GLY A 7 -18.414 -34.100 9.083 1.00 0.00 O ATOM 0 H GLY A 7 -18.231 -35.920 11.255 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.909 -33.104 12.146 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.729 -34.001 11.211 1.00 0.00 H new ATOM 66 N HIS A 8 -19.078 -32.233 10.149 1.00 0.00 N ATOM 67 CA HIS A 8 -19.753 -31.676 8.983 1.00 0.00 C ATOM 68 C HIS A 8 -19.453 -30.187 8.840 1.00 0.00 C ATOM 69 O HIS A 8 -19.722 -29.401 9.748 1.00 0.00 O ATOM 70 CB HIS A 8 -21.263 -31.896 9.088 1.00 0.00 C ATOM 71 CG HIS A 8 -21.964 -30.855 9.905 1.00 0.00 C ATOM 72 ND1 HIS A 8 -21.901 -30.810 11.282 1.00 0.00 N ATOM 73 CD2 HIS A 8 -22.746 -29.815 9.532 1.00 0.00 C ATOM 74 CE1 HIS A 8 -22.615 -29.789 11.720 1.00 0.00 C ATOM 75 NE2 HIS A 8 -23.138 -29.168 10.678 1.00 0.00 N ATOM 0 H HIS A 8 -19.126 -31.648 10.983 1.00 0.00 H new ATOM 0 HA HIS A 8 -19.379 -32.190 8.098 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -21.691 -31.908 8.086 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -21.450 -32.876 9.526 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -23.012 -29.544 8.521 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -22.749 -29.509 12.755 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -23.736 -28.342 10.718 1.00 0.00 H new ATOM 83 N GLU A 9 -18.894 -29.807 7.696 1.00 0.00 N ATOM 84 CA GLU A 9 -18.556 -28.413 7.437 1.00 0.00 C ATOM 85 C GLU A 9 -19.771 -27.644 6.925 1.00 0.00 C ATOM 86 O GLU A 9 -20.277 -27.918 5.837 1.00 0.00 O ATOM 87 CB GLU A 9 -17.416 -28.321 6.420 1.00 0.00 C ATOM 88 CG GLU A 9 -16.888 -26.910 6.223 1.00 0.00 C ATOM 89 CD GLU A 9 -15.863 -26.821 5.109 1.00 0.00 C ATOM 90 OE1 GLU A 9 -16.274 -26.749 3.931 1.00 0.00 O ATOM 91 OE2 GLU A 9 -14.652 -26.823 5.413 1.00 0.00 O ATOM 0 H GLU A 9 -18.666 -30.445 6.934 1.00 0.00 H new ATOM 0 HA GLU A 9 -18.233 -27.965 8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -16.598 -28.964 6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -17.763 -28.707 5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -17.720 -26.242 6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.440 -26.561 7.153 1.00 0.00 H new ATOM 98 N GLU A 10 -20.233 -26.683 7.718 1.00 0.00 N ATOM 99 CA GLU A 10 -21.389 -25.876 7.346 1.00 0.00 C ATOM 100 C GLU A 10 -21.262 -24.458 7.894 1.00 0.00 C ATOM 101 O GLU A 10 -20.531 -24.213 8.854 1.00 0.00 O ATOM 102 CB GLU A 10 -22.677 -26.521 7.863 1.00 0.00 C ATOM 103 CG GLU A 10 -23.929 -25.723 7.541 1.00 0.00 C ATOM 104 CD GLU A 10 -25.171 -26.297 8.196 1.00 0.00 C ATOM 105 OE1 GLU A 10 -25.737 -27.266 7.650 1.00 0.00 O ATOM 106 OE2 GLU A 10 -25.576 -25.775 9.257 1.00 0.00 O ATOM 0 H GLU A 10 -19.825 -26.444 8.622 1.00 0.00 H new ATOM 0 HA GLU A 10 -21.428 -25.824 6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.772 -27.518 7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -22.603 -26.645 8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.793 -24.692 7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -24.071 -25.697 6.461 1.00 0.00 H new ATOM 113 N THR A 11 -21.981 -23.524 7.277 1.00 0.00 N ATOM 114 CA THR A 11 -21.948 -22.130 7.701 1.00 0.00 C ATOM 115 C THR A 11 -23.251 -21.733 8.386 1.00 0.00 C ATOM 116 O THR A 11 -24.332 -22.143 7.967 1.00 0.00 O ATOM 117 CB THR A 11 -21.700 -21.187 6.509 1.00 0.00 C ATOM 118 OG1 THR A 11 -20.521 -21.589 5.802 1.00 0.00 O ATOM 119 CG2 THR A 11 -21.549 -19.748 6.980 1.00 0.00 C ATOM 0 H THR A 11 -22.593 -23.709 6.482 1.00 0.00 H new ATOM 0 HA THR A 11 -21.125 -22.034 8.409 1.00 0.00 H new ATOM 0 HB THR A 11 -22.560 -21.247 5.842 1.00 0.00 H new ATOM 0 HG1 THR A 11 -20.372 -20.985 5.045 1.00 0.00 H new ATOM 0 HG21 THR A 11 -21.375 -19.100 6.121 1.00 0.00 H new ATOM 0 HG22 THR A 11 -22.459 -19.435 7.491 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.705 -19.676 7.666 1.00 0.00 H new ATOM 127 N GLU A 12 -23.138 -20.933 9.442 1.00 0.00 N ATOM 128 CA GLU A 12 -24.309 -20.481 10.185 1.00 0.00 C ATOM 129 C GLU A 12 -24.964 -19.288 9.495 1.00 0.00 C ATOM 130 O GLU A 12 -26.184 -19.245 9.330 1.00 0.00 O ATOM 131 CB GLU A 12 -23.919 -20.107 11.616 1.00 0.00 C ATOM 132 CG GLU A 12 -22.891 -18.990 11.694 1.00 0.00 C ATOM 133 CD GLU A 12 -22.494 -18.661 13.120 1.00 0.00 C ATOM 134 OE1 GLU A 12 -23.199 -17.853 13.760 1.00 0.00 O ATOM 135 OE2 GLU A 12 -21.479 -19.212 13.596 1.00 0.00 O ATOM 0 H GLU A 12 -22.249 -20.585 9.802 1.00 0.00 H new ATOM 0 HA GLU A 12 -25.028 -21.300 10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -24.814 -19.805 12.160 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -23.523 -20.990 12.118 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -22.003 -19.278 11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -23.294 -18.096 11.218 1.00 0.00 H new ATOM 142 N CYS A 13 -24.145 -18.321 9.095 1.00 0.00 N ATOM 143 CA CYS A 13 -24.644 -17.125 8.425 1.00 0.00 C ATOM 144 C CYS A 13 -23.711 -16.708 7.293 1.00 0.00 C ATOM 145 O CYS A 13 -22.510 -16.980 7.313 1.00 0.00 O ATOM 146 CB CYS A 13 -24.796 -15.980 9.426 1.00 0.00 C ATOM 147 SG CYS A 13 -23.273 -15.563 10.307 1.00 0.00 S ATOM 0 H CYS A 13 -23.133 -18.342 9.223 1.00 0.00 H new ATOM 0 HA CYS A 13 -25.621 -17.357 8.000 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -25.152 -15.095 8.898 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -25.563 -16.247 10.154 1.00 0.00 H new ATOM 0 HG CYS A 13 -23.502 -14.582 11.129 1.00 0.00 H new ATOM 153 N PRO A 14 -24.274 -16.032 6.281 1.00 0.00 N ATOM 154 CA PRO A 14 -23.511 -15.563 5.120 1.00 0.00 C ATOM 155 C PRO A 14 -22.555 -14.429 5.475 1.00 0.00 C ATOM 156 O PRO A 14 -22.629 -13.859 6.564 1.00 0.00 O ATOM 157 CB PRO A 14 -24.595 -15.068 4.159 1.00 0.00 C ATOM 158 CG PRO A 14 -25.744 -14.710 5.037 1.00 0.00 C ATOM 159 CD PRO A 14 -25.699 -15.673 6.191 1.00 0.00 C ATOM 0 HA PRO A 14 -22.879 -16.347 4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -24.252 -14.207 3.585 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -24.871 -15.841 3.441 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -25.663 -13.680 5.385 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -26.688 -14.791 4.497 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -26.056 -15.213 7.112 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -26.323 -16.548 6.009 1.00 0.00 H new ATOM 167 N LEU A 15 -21.659 -14.106 4.549 1.00 0.00 N ATOM 168 CA LEU A 15 -20.688 -13.038 4.764 1.00 0.00 C ATOM 169 C LEU A 15 -20.509 -12.203 3.500 1.00 0.00 C ATOM 170 O LEU A 15 -20.091 -12.713 2.461 1.00 0.00 O ATOM 171 CB LEU A 15 -19.343 -13.625 5.196 1.00 0.00 C ATOM 172 CG LEU A 15 -18.762 -14.711 4.289 1.00 0.00 C ATOM 173 CD1 LEU A 15 -17.322 -15.012 4.672 1.00 0.00 C ATOM 174 CD2 LEU A 15 -19.610 -15.973 4.360 1.00 0.00 C ATOM 0 H LEU A 15 -21.584 -14.568 3.643 1.00 0.00 H new ATOM 0 HA LEU A 15 -21.066 -12.390 5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.620 -12.812 5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -19.455 -14.038 6.198 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.774 -14.346 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.925 -15.787 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -16.722 -14.108 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.285 -15.357 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -19.183 -16.736 3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.629 -16.341 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -20.626 -15.747 4.036 1.00 0.00 H new ATOM 186 N ARG A 16 -20.827 -10.916 3.598 1.00 0.00 N ATOM 187 CA ARG A 16 -20.701 -10.009 2.464 1.00 0.00 C ATOM 188 C ARG A 16 -19.654 -8.933 2.741 1.00 0.00 C ATOM 189 O ARG A 16 -19.591 -7.919 2.045 1.00 0.00 O ATOM 190 CB ARG A 16 -22.049 -9.356 2.152 1.00 0.00 C ATOM 191 CG ARG A 16 -22.121 -8.740 0.765 1.00 0.00 C ATOM 192 CD ARG A 16 -23.403 -7.945 0.575 1.00 0.00 C ATOM 193 NE ARG A 16 -24.509 -8.787 0.128 1.00 0.00 N ATOM 194 CZ ARG A 16 -25.787 -8.501 0.349 1.00 0.00 C ATOM 195 NH1 ARG A 16 -26.118 -7.398 1.007 1.00 0.00 N ATOM 196 NH2 ARG A 16 -26.737 -9.317 -0.088 1.00 0.00 N ATOM 0 H ARG A 16 -21.174 -10.478 4.452 1.00 0.00 H new ATOM 0 HA ARG A 16 -20.379 -10.591 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -22.836 -10.103 2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -22.249 -8.583 2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -21.261 -8.088 0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -22.065 -9.527 0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -23.672 -7.462 1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -23.233 -7.153 -0.154 1.00 0.00 H new ATOM 0 HE ARG A 16 -24.288 -9.642 -0.382 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -25.390 -6.768 1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -27.100 -7.180 1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -26.487 -10.166 -0.595 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -27.718 -9.095 0.083 1.00 0.00 H new ATOM 210 N LEU A 17 -18.836 -9.161 3.763 1.00 0.00 N ATOM 211 CA LEU A 17 -17.792 -8.212 4.133 1.00 0.00 C ATOM 212 C LEU A 17 -16.443 -8.634 3.559 1.00 0.00 C ATOM 213 O LEU A 17 -16.126 -9.821 3.501 1.00 0.00 O ATOM 214 CB LEU A 17 -17.698 -8.097 5.656 1.00 0.00 C ATOM 215 CG LEU A 17 -19.006 -7.797 6.389 1.00 0.00 C ATOM 216 CD1 LEU A 17 -18.912 -8.227 7.845 1.00 0.00 C ATOM 217 CD2 LEU A 17 -19.348 -6.318 6.288 1.00 0.00 C ATOM 0 H LEU A 17 -18.876 -9.994 4.350 1.00 0.00 H new ATOM 0 HA LEU A 17 -18.054 -7.240 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -17.292 -9.030 6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -16.981 -7.312 5.897 1.00 0.00 H new ATOM 0 HG LEU A 17 -19.805 -8.366 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -19.852 -8.006 8.351 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -18.716 -9.298 7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -18.101 -7.686 8.333 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -20.282 -6.124 6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -18.548 -5.728 6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -19.459 -6.041 5.240 1.00 0.00 H new ATOM 229 N ALA A 18 -15.653 -7.652 3.138 1.00 0.00 N ATOM 230 CA ALA A 18 -14.336 -7.921 2.572 1.00 0.00 C ATOM 231 C ALA A 18 -13.231 -7.389 3.478 1.00 0.00 C ATOM 232 O ALA A 18 -13.474 -6.548 4.343 1.00 0.00 O ATOM 233 CB ALA A 18 -14.224 -7.311 1.183 1.00 0.00 C ATOM 0 H ALA A 18 -15.901 -6.664 3.178 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.215 -9.001 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.236 -7.520 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -14.985 -7.743 0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.370 -6.233 1.246 1.00 0.00 H new ATOM 239 N VAL A 19 -12.014 -7.884 3.273 1.00 0.00 N ATOM 240 CA VAL A 19 -10.871 -7.458 4.071 1.00 0.00 C ATOM 241 C VAL A 19 -9.771 -6.878 3.188 1.00 0.00 C ATOM 242 O VAL A 19 -9.484 -7.401 2.111 1.00 0.00 O ATOM 243 CB VAL A 19 -10.293 -8.625 4.892 1.00 0.00 C ATOM 244 CG1 VAL A 19 -9.128 -8.152 5.747 1.00 0.00 C ATOM 245 CG2 VAL A 19 -11.376 -9.257 5.754 1.00 0.00 C ATOM 0 H VAL A 19 -11.795 -8.581 2.561 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.230 -6.687 4.753 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.921 -9.382 4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.733 -8.991 6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.345 -7.750 5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.470 -7.375 6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.950 -10.080 6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.780 -8.510 6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.175 -9.635 5.116 1.00 0.00 H new ATOM 255 N CYS A 20 -9.157 -5.795 3.653 1.00 0.00 N ATOM 256 CA CYS A 20 -8.087 -5.143 2.907 1.00 0.00 C ATOM 257 C CYS A 20 -6.833 -6.012 2.882 1.00 0.00 C ATOM 258 O CYS A 20 -6.684 -6.925 3.693 1.00 0.00 O ATOM 259 CB CYS A 20 -7.765 -3.780 3.523 1.00 0.00 C ATOM 260 SG CYS A 20 -6.711 -2.723 2.479 1.00 0.00 S ATOM 0 H CYS A 20 -9.382 -5.350 4.543 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.428 -4.999 1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.699 -3.256 3.727 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.270 -3.934 4.482 1.00 0.00 H new ATOM 265 N GLN A 21 -5.935 -5.720 1.947 1.00 0.00 N ATOM 266 CA GLN A 21 -4.695 -6.474 1.817 1.00 0.00 C ATOM 267 C GLN A 21 -3.519 -5.693 2.393 1.00 0.00 C ATOM 268 O GLN A 21 -2.508 -6.274 2.788 1.00 0.00 O ATOM 269 CB GLN A 21 -4.429 -6.809 0.348 1.00 0.00 C ATOM 270 CG GLN A 21 -4.337 -5.585 -0.548 1.00 0.00 C ATOM 271 CD GLN A 21 -3.690 -5.888 -1.886 1.00 0.00 C ATOM 272 OE1 GLN A 21 -2.583 -6.423 -1.946 1.00 0.00 O ATOM 273 NE2 GLN A 21 -4.380 -5.547 -2.968 1.00 0.00 N ATOM 0 H GLN A 21 -6.043 -4.966 1.268 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.803 -7.401 2.381 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.499 -7.373 0.275 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.225 -7.458 -0.018 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.337 -5.185 -0.715 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.765 -4.809 -0.039 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.294 -5.105 -2.872 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.996 -5.727 -3.896 1.00 0.00 H new ATOM 282 N HIS A 22 -3.658 -4.371 2.438 1.00 0.00 N ATOM 283 CA HIS A 22 -2.607 -3.509 2.967 1.00 0.00 C ATOM 284 C HIS A 22 -2.782 -3.297 4.468 1.00 0.00 C ATOM 285 O HIS A 22 -1.867 -3.549 5.252 1.00 0.00 O ATOM 286 CB HIS A 22 -2.612 -2.161 2.245 1.00 0.00 C ATOM 287 CG HIS A 22 -2.812 -2.275 0.765 1.00 0.00 C ATOM 288 ND1 HIS A 22 -1.777 -2.496 -0.119 1.00 0.00 N ATOM 289 CD2 HIS A 22 -3.936 -2.199 0.015 1.00 0.00 C ATOM 290 CE1 HIS A 22 -2.256 -2.549 -1.349 1.00 0.00 C ATOM 291 NE2 HIS A 22 -3.563 -2.372 -1.295 1.00 0.00 N ATOM 0 H HIS A 22 -4.488 -3.874 2.115 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.649 -4.000 2.797 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.402 -1.537 2.663 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.668 -1.651 2.438 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.939 -2.033 0.379 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.677 -2.710 -2.246 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.194 -2.365 -2.097 1.00 0.00 H new ATOM 299 N CYS A 23 -3.963 -2.832 4.861 1.00 0.00 N ATOM 300 CA CYS A 23 -4.259 -2.584 6.267 1.00 0.00 C ATOM 301 C CYS A 23 -4.826 -3.835 6.932 1.00 0.00 C ATOM 302 O CYS A 23 -4.694 -4.021 8.142 1.00 0.00 O ATOM 303 CB CYS A 23 -5.249 -1.426 6.405 1.00 0.00 C ATOM 304 SG CYS A 23 -6.973 -1.872 6.019 1.00 0.00 S ATOM 0 H CYS A 23 -4.731 -2.619 4.225 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.328 -2.318 6.767 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.204 -1.043 7.424 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.938 -0.616 5.746 1.00 0.00 H new ATOM 309 N ASP A 24 -5.456 -4.689 6.133 1.00 0.00 N ATOM 310 CA ASP A 24 -6.043 -5.923 6.643 1.00 0.00 C ATOM 311 C ASP A 24 -7.123 -5.624 7.677 1.00 0.00 C ATOM 312 O ASP A 24 -7.188 -6.266 8.727 1.00 0.00 O ATOM 313 CB ASP A 24 -4.960 -6.810 7.260 1.00 0.00 C ATOM 314 CG ASP A 24 -3.809 -7.066 6.307 1.00 0.00 C ATOM 315 OD1 ASP A 24 -4.070 -7.491 5.162 1.00 0.00 O ATOM 316 OD2 ASP A 24 -2.647 -6.841 6.706 1.00 0.00 O ATOM 0 H ASP A 24 -5.573 -4.550 5.129 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.502 -6.451 5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.580 -6.337 8.166 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.400 -7.762 7.558 1.00 0.00 H new ATOM 321 N LEU A 25 -7.970 -4.646 7.375 1.00 0.00 N ATOM 322 CA LEU A 25 -9.048 -4.261 8.279 1.00 0.00 C ATOM 323 C LEU A 25 -10.395 -4.758 7.764 1.00 0.00 C ATOM 324 O LEU A 25 -10.587 -4.920 6.559 1.00 0.00 O ATOM 325 CB LEU A 25 -9.082 -2.740 8.445 1.00 0.00 C ATOM 326 CG LEU A 25 -9.915 -2.211 9.613 1.00 0.00 C ATOM 327 CD1 LEU A 25 -9.284 -2.603 10.940 1.00 0.00 C ATOM 328 CD2 LEU A 25 -10.068 -0.700 9.518 1.00 0.00 C ATOM 0 H LEU A 25 -7.931 -4.105 6.511 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.858 -4.722 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.059 -2.385 8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.466 -2.302 7.523 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.907 -2.660 9.560 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.891 -2.218 11.759 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.228 -3.689 11.009 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.280 -2.183 11.004 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.664 -0.341 10.357 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.084 -0.232 9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.566 -0.443 8.583 1.00 0.00 H new ATOM 340 N GLU A 26 -11.324 -4.996 8.684 1.00 0.00 N ATOM 341 CA GLU A 26 -12.653 -5.473 8.321 1.00 0.00 C ATOM 342 C GLU A 26 -13.528 -4.324 7.828 1.00 0.00 C ATOM 343 O GLU A 26 -13.731 -3.335 8.535 1.00 0.00 O ATOM 344 CB GLU A 26 -13.318 -6.157 9.517 1.00 0.00 C ATOM 345 CG GLU A 26 -14.543 -6.976 9.147 1.00 0.00 C ATOM 346 CD GLU A 26 -15.818 -6.156 9.162 1.00 0.00 C ATOM 347 OE1 GLU A 26 -15.734 -4.923 8.981 1.00 0.00 O ATOM 348 OE2 GLU A 26 -16.901 -6.748 9.354 1.00 0.00 O ATOM 0 H GLU A 26 -11.181 -4.866 9.686 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.543 -6.196 7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.591 -6.807 10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.605 -5.398 10.245 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.403 -7.405 8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.643 -7.809 9.843 1.00 0.00 H new ATOM 355 N LEU A 27 -14.043 -4.460 6.611 1.00 0.00 N ATOM 356 CA LEU A 27 -14.895 -3.434 6.022 1.00 0.00 C ATOM 357 C LEU A 27 -15.932 -4.056 5.092 1.00 0.00 C ATOM 358 O LEU A 27 -15.886 -5.252 4.805 1.00 0.00 O ATOM 359 CB LEU A 27 -14.048 -2.418 5.254 1.00 0.00 C ATOM 360 CG LEU A 27 -13.355 -1.348 6.097 1.00 0.00 C ATOM 361 CD1 LEU A 27 -11.959 -1.803 6.495 1.00 0.00 C ATOM 362 CD2 LEU A 27 -13.292 -0.030 5.340 1.00 0.00 C ATOM 0 H LEU A 27 -13.885 -5.271 6.013 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.418 -2.923 6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.286 -2.960 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.687 -1.920 4.525 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.938 -1.195 7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.481 -1.028 7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.028 -2.722 7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.366 -1.985 5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.795 0.720 5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.733 -0.168 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.303 0.304 5.106 1.00 0.00 H new ATOM 374 N SER A 28 -16.866 -3.235 4.622 1.00 0.00 N ATOM 375 CA SER A 28 -17.916 -3.704 3.725 1.00 0.00 C ATOM 376 C SER A 28 -17.362 -3.954 2.325 1.00 0.00 C ATOM 377 O SER A 28 -16.343 -3.382 1.938 1.00 0.00 O ATOM 378 CB SER A 28 -19.055 -2.685 3.662 1.00 0.00 C ATOM 379 OG SER A 28 -20.231 -3.268 3.129 1.00 0.00 O ATOM 0 H SER A 28 -16.917 -2.242 4.848 1.00 0.00 H new ATOM 0 HA SER A 28 -18.302 -4.645 4.117 1.00 0.00 H new ATOM 0 HB2 SER A 28 -19.257 -2.299 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.755 -1.837 3.047 1.00 0.00 H new ATOM 0 HG SER A 28 -20.945 -2.597 3.101 1.00 0.00 H new ATOM 385 N ILE A 29 -18.043 -4.810 1.571 1.00 0.00 N ATOM 386 CA ILE A 29 -17.621 -5.135 0.214 1.00 0.00 C ATOM 387 C ILE A 29 -17.911 -3.984 -0.742 1.00 0.00 C ATOM 388 O ILE A 29 -17.234 -3.820 -1.758 1.00 0.00 O ATOM 389 CB ILE A 29 -18.320 -6.406 -0.303 1.00 0.00 C ATOM 390 CG1 ILE A 29 -17.659 -6.886 -1.597 1.00 0.00 C ATOM 391 CG2 ILE A 29 -19.802 -6.143 -0.525 1.00 0.00 C ATOM 392 CD1 ILE A 29 -18.296 -6.320 -2.847 1.00 0.00 C ATOM 0 H ILE A 29 -18.889 -5.291 1.877 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.546 -5.311 0.251 1.00 0.00 H new ATOM 0 HB ILE A 29 -18.219 -7.190 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -16.604 -6.611 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -17.704 -7.974 -1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -20.282 -7.051 -0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -20.263 -5.842 0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -19.924 -5.347 -1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -17.777 -6.703 -3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.344 -6.616 -2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -18.227 -5.232 -2.830 1.00 0.00 H new ATOM 404 N LEU A 30 -18.920 -3.186 -0.409 1.00 0.00 N ATOM 405 CA LEU A 30 -19.299 -2.046 -1.238 1.00 0.00 C ATOM 406 C LEU A 30 -18.317 -0.893 -1.060 1.00 0.00 C ATOM 407 O LEU A 30 -17.896 -0.266 -2.032 1.00 0.00 O ATOM 408 CB LEU A 30 -20.714 -1.585 -0.887 1.00 0.00 C ATOM 409 CG LEU A 30 -21.842 -2.170 -1.738 1.00 0.00 C ATOM 410 CD1 LEU A 30 -22.325 -3.487 -1.150 1.00 0.00 C ATOM 411 CD2 LEU A 30 -22.992 -1.181 -1.853 1.00 0.00 C ATOM 0 H LEU A 30 -19.490 -3.307 0.428 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.274 -2.362 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.907 -1.834 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.751 -0.499 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.454 -2.362 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -23.128 -3.889 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.499 -4.197 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.695 -3.320 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.785 -1.615 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.379 -0.956 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -22.637 -0.263 -2.320 1.00 0.00 H new ATOM 423 N LYS A 31 -17.954 -0.619 0.188 1.00 0.00 N ATOM 424 CA LYS A 31 -17.018 0.456 0.495 1.00 0.00 C ATOM 425 C LYS A 31 -15.583 0.029 0.203 1.00 0.00 C ATOM 426 O LYS A 31 -14.793 0.801 -0.342 1.00 0.00 O ATOM 427 CB LYS A 31 -17.149 0.872 1.962 1.00 0.00 C ATOM 428 CG LYS A 31 -18.457 1.576 2.280 1.00 0.00 C ATOM 429 CD LYS A 31 -18.373 2.343 3.589 1.00 0.00 C ATOM 430 CE LYS A 31 -18.517 1.418 4.788 1.00 0.00 C ATOM 431 NZ LYS A 31 -17.817 1.953 5.989 1.00 0.00 N ATOM 0 H LYS A 31 -18.294 -1.127 1.004 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.262 1.307 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.060 -0.014 2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.320 1.531 2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -18.708 2.262 1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.261 0.843 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.418 2.866 3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.155 3.102 3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.574 1.280 5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.114 0.436 4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.939 1.294 6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.804 2.061 5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.219 2.878 6.242 1.00 0.00 H new ATOM 445 N LEU A 32 -15.253 -1.205 0.568 1.00 0.00 N ATOM 446 CA LEU A 32 -13.913 -1.736 0.343 1.00 0.00 C ATOM 447 C LEU A 32 -13.302 -1.155 -0.928 1.00 0.00 C ATOM 448 O LEU A 32 -12.297 -0.446 -0.880 1.00 0.00 O ATOM 449 CB LEU A 32 -13.956 -3.262 0.250 1.00 0.00 C ATOM 450 CG LEU A 32 -12.681 -3.941 -0.250 1.00 0.00 C ATOM 451 CD1 LEU A 32 -11.666 -4.066 0.875 1.00 0.00 C ATOM 452 CD2 LEU A 32 -13.000 -5.308 -0.838 1.00 0.00 C ATOM 0 H LEU A 32 -15.894 -1.856 1.021 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.289 -1.447 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.192 -3.659 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.776 -3.543 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.247 -3.322 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.765 -4.552 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.414 -3.074 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.090 -4.662 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.081 -5.777 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.458 -5.935 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.690 -5.193 -1.674 1.00 0.00 H new ATOM 464 N LYS A 33 -13.918 -1.459 -2.066 1.00 0.00 N ATOM 465 CA LYS A 33 -13.439 -0.964 -3.351 1.00 0.00 C ATOM 466 C LYS A 33 -12.855 0.438 -3.212 1.00 0.00 C ATOM 467 O LYS A 33 -11.667 0.651 -3.448 1.00 0.00 O ATOM 468 CB LYS A 33 -14.578 -0.955 -4.374 1.00 0.00 C ATOM 469 CG LYS A 33 -14.134 -0.570 -5.775 1.00 0.00 C ATOM 470 CD LYS A 33 -13.736 -1.790 -6.589 1.00 0.00 C ATOM 471 CE LYS A 33 -12.257 -2.106 -6.433 1.00 0.00 C ATOM 472 NZ LYS A 33 -11.802 -3.129 -7.414 1.00 0.00 N ATOM 0 H LYS A 33 -14.750 -2.046 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.652 -1.633 -3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.035 -1.944 -4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.348 -0.259 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.942 -0.041 -6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -13.291 0.119 -5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -14.328 -2.649 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.963 -1.617 -7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.675 -1.194 -6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.067 -2.463 -5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.789 -3.317 -7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.339 -4.008 -7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.960 -2.778 -8.380 1.00 0.00 H new ATOM 486 N GLU A 34 -13.699 1.390 -2.826 1.00 0.00 N ATOM 487 CA GLU A 34 -13.265 2.771 -2.655 1.00 0.00 C ATOM 488 C GLU A 34 -12.182 2.872 -1.585 1.00 0.00 C ATOM 489 O GLU A 34 -11.174 3.556 -1.768 1.00 0.00 O ATOM 490 CB GLU A 34 -14.453 3.659 -2.279 1.00 0.00 C ATOM 491 CG GLU A 34 -14.111 5.139 -2.216 1.00 0.00 C ATOM 492 CD GLU A 34 -15.255 5.980 -1.685 1.00 0.00 C ATOM 493 OE1 GLU A 34 -15.392 6.083 -0.448 1.00 0.00 O ATOM 494 OE2 GLU A 34 -16.014 6.535 -2.507 1.00 0.00 O ATOM 0 H GLU A 34 -14.686 1.230 -2.626 1.00 0.00 H new ATOM 0 HA GLU A 34 -12.849 3.114 -3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.252 3.510 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.840 3.343 -1.310 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.237 5.279 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.840 5.488 -3.212 1.00 0.00 H new ATOM 501 N HIS A 35 -12.397 2.187 -0.466 1.00 0.00 N ATOM 502 CA HIS A 35 -11.439 2.199 0.634 1.00 0.00 C ATOM 503 C HIS A 35 -10.032 1.885 0.133 1.00 0.00 C ATOM 504 O HIS A 35 -9.124 2.707 0.251 1.00 0.00 O ATOM 505 CB HIS A 35 -11.849 1.189 1.706 1.00 0.00 C ATOM 506 CG HIS A 35 -10.712 0.739 2.571 1.00 0.00 C ATOM 507 ND1 HIS A 35 -10.405 1.330 3.778 1.00 0.00 N ATOM 508 CD2 HIS A 35 -9.806 -0.252 2.398 1.00 0.00 C ATOM 509 CE1 HIS A 35 -9.359 0.723 4.310 1.00 0.00 C ATOM 510 NE2 HIS A 35 -8.977 -0.241 3.492 1.00 0.00 N ATOM 0 H HIS A 35 -13.226 1.617 -0.297 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.436 3.198 1.069 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.620 1.633 2.336 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.294 0.319 1.223 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -10.907 2.114 4.195 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.747 -0.926 1.556 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.895 0.973 5.253 1.00 0.00 H new ATOM 518 N GLU A 36 -9.861 0.691 -0.424 1.00 0.00 N ATOM 519 CA GLU A 36 -8.564 0.269 -0.941 1.00 0.00 C ATOM 520 C GLU A 36 -7.850 1.428 -1.631 1.00 0.00 C ATOM 521 O GLU A 36 -6.683 1.705 -1.355 1.00 0.00 O ATOM 522 CB GLU A 36 -8.734 -0.895 -1.920 1.00 0.00 C ATOM 523 CG GLU A 36 -8.703 -2.260 -1.253 1.00 0.00 C ATOM 524 CD GLU A 36 -7.300 -2.824 -1.142 1.00 0.00 C ATOM 525 OE1 GLU A 36 -6.428 -2.403 -1.931 1.00 0.00 O ATOM 526 OE2 GLU A 36 -7.073 -3.685 -0.266 1.00 0.00 O ATOM 0 H GLU A 36 -10.603 -0.001 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.956 -0.060 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.680 -0.779 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.943 -0.848 -2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.139 -2.183 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.325 -2.952 -1.821 1.00 0.00 H new ATOM 533 N ASP A 37 -8.560 2.101 -2.530 1.00 0.00 N ATOM 534 CA ASP A 37 -7.995 3.230 -3.260 1.00 0.00 C ATOM 535 C ASP A 37 -7.340 4.222 -2.304 1.00 0.00 C ATOM 536 O ASP A 37 -6.248 4.725 -2.569 1.00 0.00 O ATOM 537 CB ASP A 37 -9.082 3.932 -4.076 1.00 0.00 C ATOM 538 CG ASP A 37 -8.508 4.827 -5.157 1.00 0.00 C ATOM 539 OD1 ASP A 37 -7.375 5.322 -4.978 1.00 0.00 O ATOM 540 OD2 ASP A 37 -9.191 5.031 -6.182 1.00 0.00 O ATOM 0 H ASP A 37 -9.527 1.884 -2.771 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.232 2.848 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.729 3.184 -4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.706 4.527 -3.409 1.00 0.00 H new ATOM 545 N TYR A 38 -8.013 4.499 -1.193 1.00 0.00 N ATOM 546 CA TYR A 38 -7.498 5.433 -0.200 1.00 0.00 C ATOM 547 C TYR A 38 -6.392 4.789 0.632 1.00 0.00 C ATOM 548 O TYR A 38 -5.383 5.423 0.943 1.00 0.00 O ATOM 549 CB TYR A 38 -8.626 5.911 0.715 1.00 0.00 C ATOM 550 CG TYR A 38 -8.176 6.901 1.767 1.00 0.00 C ATOM 551 CD1 TYR A 38 -7.605 6.468 2.957 1.00 0.00 C ATOM 552 CD2 TYR A 38 -8.320 8.268 1.568 1.00 0.00 C ATOM 553 CE1 TYR A 38 -7.193 7.368 3.920 1.00 0.00 C ATOM 554 CE2 TYR A 38 -7.909 9.176 2.526 1.00 0.00 C ATOM 555 CZ TYR A 38 -7.347 8.721 3.700 1.00 0.00 C ATOM 556 OH TYR A 38 -6.936 9.621 4.657 1.00 0.00 O ATOM 0 H TYR A 38 -8.917 4.090 -0.958 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.079 6.290 -0.728 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.406 6.369 0.107 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.073 5.048 1.208 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.481 5.410 3.132 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.760 8.628 0.650 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.753 7.014 4.841 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.027 10.236 2.356 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.114 10.533 4.346 1.00 0.00 H new ATOM 566 N CYS A 39 -6.590 3.525 0.989 1.00 0.00 N ATOM 567 CA CYS A 39 -5.612 2.792 1.784 1.00 0.00 C ATOM 568 C CYS A 39 -4.233 2.843 1.132 1.00 0.00 C ATOM 569 O CYS A 39 -3.251 3.233 1.761 1.00 0.00 O ATOM 570 CB CYS A 39 -6.052 1.337 1.959 1.00 0.00 C ATOM 571 SG CYS A 39 -5.399 0.538 3.460 1.00 0.00 S ATOM 0 H CYS A 39 -7.420 2.986 0.740 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.549 3.266 2.764 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.141 1.299 1.984 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.733 0.765 1.088 1.00 0.00 H new ATOM 576 N GLY A 40 -4.169 2.445 -0.135 1.00 0.00 N ATOM 577 CA GLY A 40 -2.907 2.453 -0.852 1.00 0.00 C ATOM 578 C GLY A 40 -2.556 3.824 -1.395 1.00 0.00 C ATOM 579 O GLY A 40 -1.800 3.943 -2.358 1.00 0.00 O ATOM 0 H GLY A 40 -4.968 2.117 -0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.113 2.115 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.957 1.741 -1.676 1.00 0.00 H new ATOM 583 N ALA A 41 -3.109 4.862 -0.776 1.00 0.00 N ATOM 584 CA ALA A 41 -2.851 6.232 -1.202 1.00 0.00 C ATOM 585 C ALA A 41 -1.983 6.968 -0.187 1.00 0.00 C ATOM 586 O ALA A 41 -1.183 7.831 -0.550 1.00 0.00 O ATOM 587 CB ALA A 41 -4.161 6.974 -1.417 1.00 0.00 C ATOM 0 H ALA A 41 -3.739 4.780 0.022 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.308 6.196 -2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.953 7.996 -1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.745 6.467 -2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.726 6.992 -0.485 1.00 0.00 H new ATOM 593 N ARG A 42 -2.148 6.624 1.086 1.00 0.00 N ATOM 594 CA ARG A 42 -1.382 7.254 2.153 1.00 0.00 C ATOM 595 C ARG A 42 0.116 7.075 1.926 1.00 0.00 C ATOM 596 O ARG A 42 0.579 5.984 1.589 1.00 0.00 O ATOM 597 CB ARG A 42 -1.777 6.666 3.509 1.00 0.00 C ATOM 598 CG ARG A 42 -3.250 6.838 3.842 1.00 0.00 C ATOM 599 CD ARG A 42 -3.617 6.119 5.131 1.00 0.00 C ATOM 600 NE ARG A 42 -3.337 4.688 5.058 1.00 0.00 N ATOM 601 CZ ARG A 42 -2.156 4.154 5.351 1.00 0.00 C ATOM 602 NH1 ARG A 42 -1.151 4.930 5.734 1.00 0.00 N ATOM 603 NH2 ARG A 42 -1.979 2.842 5.261 1.00 0.00 N ATOM 0 H ARG A 42 -2.806 5.912 1.403 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.608 8.320 2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.532 5.604 3.520 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.179 7.139 4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.481 7.899 3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.857 6.452 3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.061 6.555 5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.676 6.271 5.342 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.089 4.064 4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.284 5.939 5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.245 4.518 5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.750 2.242 4.967 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.072 2.433 5.486 1.00 0.00 H new ATOM 617 N THR A 43 0.872 8.153 2.112 1.00 0.00 N ATOM 618 CA THR A 43 2.316 8.116 1.925 1.00 0.00 C ATOM 619 C THR A 43 3.046 8.268 3.255 1.00 0.00 C ATOM 620 O THR A 43 2.668 9.088 4.090 1.00 0.00 O ATOM 621 CB THR A 43 2.788 9.224 0.964 1.00 0.00 C ATOM 622 OG1 THR A 43 2.347 10.502 1.436 1.00 0.00 O ATOM 623 CG2 THR A 43 2.255 8.984 -0.440 1.00 0.00 C ATOM 0 H THR A 43 0.507 9.063 2.392 1.00 0.00 H new ATOM 0 HA THR A 43 2.553 7.145 1.491 1.00 0.00 H new ATOM 0 HB THR A 43 3.877 9.206 0.930 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.652 11.201 0.821 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.601 9.779 -1.101 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.616 8.023 -0.807 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.165 8.978 -0.419 1.00 0.00 H new ATOM 631 N GLU A 44 4.095 7.473 3.444 1.00 0.00 N ATOM 632 CA GLU A 44 4.877 7.521 4.673 1.00 0.00 C ATOM 633 C GLU A 44 6.271 8.085 4.410 1.00 0.00 C ATOM 634 O GLU A 44 6.910 7.750 3.412 1.00 0.00 O ATOM 635 CB GLU A 44 4.988 6.124 5.288 1.00 0.00 C ATOM 636 CG GLU A 44 3.766 5.715 6.092 1.00 0.00 C ATOM 637 CD GLU A 44 3.800 6.241 7.514 1.00 0.00 C ATOM 638 OE1 GLU A 44 4.906 6.342 8.084 1.00 0.00 O ATOM 639 OE2 GLU A 44 2.719 6.553 8.056 1.00 0.00 O ATOM 0 H GLU A 44 4.422 6.789 2.762 1.00 0.00 H new ATOM 0 HA GLU A 44 4.364 8.179 5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.149 5.397 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.866 6.089 5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.869 6.082 5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.697 4.627 6.113 1.00 0.00 H new ATOM 646 N LEU A 45 6.735 8.943 5.311 1.00 0.00 N ATOM 647 CA LEU A 45 8.053 9.555 5.177 1.00 0.00 C ATOM 648 C LEU A 45 9.152 8.572 5.566 1.00 0.00 C ATOM 649 O LEU A 45 9.393 8.329 6.749 1.00 0.00 O ATOM 650 CB LEU A 45 8.145 10.810 6.047 1.00 0.00 C ATOM 651 CG LEU A 45 9.543 11.404 6.223 1.00 0.00 C ATOM 652 CD1 LEU A 45 9.984 12.116 4.954 1.00 0.00 C ATOM 653 CD2 LEU A 45 9.572 12.357 7.409 1.00 0.00 C ATOM 0 H LEU A 45 6.219 9.231 6.142 1.00 0.00 H new ATOM 0 HA LEU A 45 8.193 9.833 4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.499 11.575 5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.746 10.574 7.033 1.00 0.00 H new ATOM 0 HG LEU A 45 10.241 10.590 6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.981 12.532 5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.003 11.407 4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.284 12.920 4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.575 12.770 7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.862 13.167 7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.300 11.817 8.316 1.00 0.00 H new ATOM 665 N CYS A 46 9.818 8.010 4.562 1.00 0.00 N ATOM 666 CA CYS A 46 10.893 7.054 4.798 1.00 0.00 C ATOM 667 C CYS A 46 12.092 7.735 5.451 1.00 0.00 C ATOM 668 O CYS A 46 12.317 8.930 5.268 1.00 0.00 O ATOM 669 CB CYS A 46 11.318 6.399 3.482 1.00 0.00 C ATOM 670 SG CYS A 46 12.544 5.066 3.678 1.00 0.00 S ATOM 0 H CYS A 46 9.632 8.200 3.577 1.00 0.00 H new ATOM 0 HA CYS A 46 10.521 6.285 5.475 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.434 5.996 2.987 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.731 7.164 2.824 1.00 0.00 H new ATOM 675 N GLY A 47 12.861 6.963 6.214 1.00 0.00 N ATOM 676 CA GLY A 47 14.028 7.508 6.883 1.00 0.00 C ATOM 677 C GLY A 47 15.313 7.221 6.133 1.00 0.00 C ATOM 678 O GLY A 47 16.242 8.026 6.149 1.00 0.00 O ATOM 0 H GLY A 47 12.696 5.970 6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.909 8.586 6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.096 7.089 7.887 1.00 0.00 H new ATOM 682 N ASN A 48 15.367 6.067 5.475 1.00 0.00 N ATOM 683 CA ASN A 48 16.549 5.674 4.717 1.00 0.00 C ATOM 684 C ASN A 48 16.830 6.667 3.593 1.00 0.00 C ATOM 685 O ASN A 48 17.918 7.239 3.512 1.00 0.00 O ATOM 686 CB ASN A 48 16.366 4.270 4.138 1.00 0.00 C ATOM 687 CG ASN A 48 16.594 3.184 5.171 1.00 0.00 C ATOM 688 OD1 ASN A 48 17.523 3.262 5.975 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.744 2.163 5.154 1.00 0.00 N ATOM 0 H ASN A 48 14.606 5.388 5.452 1.00 0.00 H new ATOM 0 HA ASN A 48 17.401 5.671 5.397 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.359 4.176 3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.058 4.129 3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.847 1.402 5.826 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.988 2.140 4.469 1.00 0.00 H new ATOM 696 N CYS A 49 15.841 6.868 2.728 1.00 0.00 N ATOM 697 CA CYS A 49 15.980 7.792 1.608 1.00 0.00 C ATOM 698 C CYS A 49 15.533 9.196 2.003 1.00 0.00 C ATOM 699 O CYS A 49 16.224 10.178 1.734 1.00 0.00 O ATOM 700 CB CYS A 49 15.162 7.302 0.412 1.00 0.00 C ATOM 701 SG CYS A 49 13.365 7.260 0.707 1.00 0.00 S ATOM 0 H CYS A 49 14.935 6.403 2.781 1.00 0.00 H new ATOM 0 HA CYS A 49 17.033 7.830 1.329 1.00 0.00 H new ATOM 0 HB2 CYS A 49 15.364 7.948 -0.442 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.498 6.301 0.141 1.00 0.00 H new ATOM 706 N GLY A 50 14.372 9.284 2.645 1.00 0.00 N ATOM 707 CA GLY A 50 13.853 10.571 3.068 1.00 0.00 C ATOM 708 C GLY A 50 12.877 11.159 2.067 1.00 0.00 C ATOM 709 O GLY A 50 12.832 12.374 1.875 1.00 0.00 O ATOM 0 H GLY A 50 13.781 8.486 2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.357 10.460 4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.682 11.264 3.213 1.00 0.00 H new ATOM 713 N ARG A 51 12.096 10.296 1.427 1.00 0.00 N ATOM 714 CA ARG A 51 11.119 10.736 0.439 1.00 0.00 C ATOM 715 C ARG A 51 9.737 10.171 0.751 1.00 0.00 C ATOM 716 O ARG A 51 9.590 9.305 1.613 1.00 0.00 O ATOM 717 CB ARG A 51 11.552 10.307 -0.964 1.00 0.00 C ATOM 718 CG ARG A 51 12.822 10.991 -1.446 1.00 0.00 C ATOM 719 CD ARG A 51 14.064 10.309 -0.896 1.00 0.00 C ATOM 720 NE ARG A 51 15.248 10.594 -1.703 1.00 0.00 N ATOM 721 CZ ARG A 51 15.998 11.679 -1.550 1.00 0.00 C ATOM 722 NH1 ARG A 51 15.691 12.576 -0.624 1.00 0.00 N ATOM 723 NH2 ARG A 51 17.060 11.867 -2.324 1.00 0.00 N ATOM 0 H ARG A 51 12.121 9.287 1.575 1.00 0.00 H new ATOM 0 HA ARG A 51 11.065 11.824 0.479 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.705 9.228 -0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.746 10.521 -1.665 1.00 0.00 H new ATOM 0 HG2 ARG A 51 12.852 10.980 -2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.813 12.037 -1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.235 10.640 0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.900 9.232 -0.860 1.00 0.00 H new ATOM 0 HE ARG A 51 15.513 9.923 -2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.877 12.434 -0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.269 13.408 -0.509 1.00 0.00 H new ATOM 0 HH21 ARG A 51 17.300 11.178 -3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.636 12.701 -2.206 1.00 0.00 H new ATOM 737 N ASN A 52 8.726 10.667 0.044 1.00 0.00 N ATOM 738 CA ASN A 52 7.356 10.212 0.246 1.00 0.00 C ATOM 739 C ASN A 52 7.039 9.022 -0.655 1.00 0.00 C ATOM 740 O ASN A 52 7.038 9.140 -1.880 1.00 0.00 O ATOM 741 CB ASN A 52 6.372 11.351 -0.029 1.00 0.00 C ATOM 742 CG ASN A 52 6.778 12.643 0.654 1.00 0.00 C ATOM 743 OD1 ASN A 52 7.768 13.272 0.278 1.00 0.00 O ATOM 744 ND2 ASN A 52 6.013 13.044 1.662 1.00 0.00 N ATOM 0 H ASN A 52 8.831 11.384 -0.674 1.00 0.00 H new ATOM 0 HA ASN A 52 7.254 9.896 1.284 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.304 11.517 -1.104 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.379 11.060 0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.236 13.906 2.160 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.202 12.490 1.939 1.00 0.00 H new ATOM 751 N VAL A 53 6.768 7.875 -0.039 1.00 0.00 N ATOM 752 CA VAL A 53 6.448 6.664 -0.785 1.00 0.00 C ATOM 753 C VAL A 53 5.076 6.126 -0.395 1.00 0.00 C ATOM 754 O VAL A 53 4.708 6.125 0.780 1.00 0.00 O ATOM 755 CB VAL A 53 7.502 5.566 -0.552 1.00 0.00 C ATOM 756 CG1 VAL A 53 7.147 4.310 -1.333 1.00 0.00 C ATOM 757 CG2 VAL A 53 8.887 6.068 -0.935 1.00 0.00 C ATOM 0 H VAL A 53 6.764 7.760 0.974 1.00 0.00 H new ATOM 0 HA VAL A 53 6.443 6.934 -1.841 1.00 0.00 H new ATOM 0 HB VAL A 53 7.511 5.315 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.903 3.545 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.175 3.941 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.108 4.542 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.620 5.280 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.894 6.348 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 53 9.140 6.937 -0.327 1.00 0.00 H new ATOM 767 N LEU A 54 4.322 5.669 -1.389 1.00 0.00 N ATOM 768 CA LEU A 54 2.988 5.127 -1.151 1.00 0.00 C ATOM 769 C LEU A 54 3.069 3.748 -0.504 1.00 0.00 C ATOM 770 O LEU A 54 3.983 2.972 -0.784 1.00 0.00 O ATOM 771 CB LEU A 54 2.209 5.042 -2.465 1.00 0.00 C ATOM 772 CG LEU A 54 2.104 6.339 -3.268 1.00 0.00 C ATOM 773 CD1 LEU A 54 2.019 6.039 -4.756 1.00 0.00 C ATOM 774 CD2 LEU A 54 0.899 7.151 -2.816 1.00 0.00 C ATOM 0 H LEU A 54 4.611 5.663 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 54 2.466 5.798 -0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.678 4.286 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.201 4.692 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 54 3.002 6.929 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.945 6.974 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.913 5.500 -5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.138 5.428 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.841 8.070 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.010 6.568 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.002 7.397 -1.759 1.00 0.00 H new ATOM 786 N VAL A 55 2.105 3.448 0.360 1.00 0.00 N ATOM 787 CA VAL A 55 2.065 2.161 1.045 1.00 0.00 C ATOM 788 C VAL A 55 2.226 1.009 0.059 1.00 0.00 C ATOM 789 O VAL A 55 3.093 0.152 0.225 1.00 0.00 O ATOM 790 CB VAL A 55 0.746 1.979 1.819 1.00 0.00 C ATOM 791 CG1 VAL A 55 0.696 0.606 2.473 1.00 0.00 C ATOM 792 CG2 VAL A 55 0.581 3.079 2.857 1.00 0.00 C ATOM 0 H VAL A 55 1.341 4.079 0.603 1.00 0.00 H new ATOM 0 HA VAL A 55 2.896 2.151 1.750 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.082 2.050 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.243 0.495 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.765 -0.165 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.530 0.503 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.356 2.935 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.412 3.043 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.569 4.049 2.360 1.00 0.00 H new ATOM 802 N LYS A 56 1.384 0.996 -0.969 1.00 0.00 N ATOM 803 CA LYS A 56 1.432 -0.049 -1.985 1.00 0.00 C ATOM 804 C LYS A 56 2.865 -0.291 -2.449 1.00 0.00 C ATOM 805 O LYS A 56 3.222 -1.403 -2.840 1.00 0.00 O ATOM 806 CB LYS A 56 0.556 0.331 -3.180 1.00 0.00 C ATOM 807 CG LYS A 56 1.116 1.476 -4.005 1.00 0.00 C ATOM 808 CD LYS A 56 1.987 0.970 -5.143 1.00 0.00 C ATOM 809 CE LYS A 56 1.946 1.912 -6.337 1.00 0.00 C ATOM 810 NZ LYS A 56 2.900 3.045 -6.183 1.00 0.00 N ATOM 0 H LYS A 56 0.660 1.698 -1.121 1.00 0.00 H new ATOM 0 HA LYS A 56 1.051 -0.969 -1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.433 -0.542 -3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.436 0.605 -2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.296 2.069 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.701 2.136 -3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.015 0.864 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.650 -0.021 -5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.184 1.358 -7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.935 2.302 -6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.582 3.848 -6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.939 3.333 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.846 2.747 -6.495 1.00 0.00 H new ATOM 824 N ASP A 57 3.682 0.755 -2.401 1.00 0.00 N ATOM 825 CA ASP A 57 5.077 0.656 -2.813 1.00 0.00 C ATOM 826 C ASP A 57 5.968 0.281 -1.633 1.00 0.00 C ATOM 827 O ASP A 57 6.898 -0.514 -1.771 1.00 0.00 O ATOM 828 CB ASP A 57 5.547 1.978 -3.423 1.00 0.00 C ATOM 829 CG ASP A 57 6.721 1.797 -4.364 1.00 0.00 C ATOM 830 OD1 ASP A 57 7.428 0.775 -4.241 1.00 0.00 O ATOM 831 OD2 ASP A 57 6.933 2.677 -5.224 1.00 0.00 O ATOM 0 H ASP A 57 3.402 1.682 -2.081 1.00 0.00 H new ATOM 0 HA ASP A 57 5.152 -0.129 -3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.720 2.440 -3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.828 2.664 -2.624 1.00 0.00 H new ATOM 836 N LEU A 58 5.678 0.860 -0.473 1.00 0.00 N ATOM 837 CA LEU A 58 6.453 0.588 0.733 1.00 0.00 C ATOM 838 C LEU A 58 6.938 -0.858 0.753 1.00 0.00 C ATOM 839 O LEU A 58 8.043 -1.148 1.214 1.00 0.00 O ATOM 840 CB LEU A 58 5.613 0.874 1.978 1.00 0.00 C ATOM 841 CG LEU A 58 5.612 2.322 2.470 1.00 0.00 C ATOM 842 CD1 LEU A 58 4.493 2.543 3.475 1.00 0.00 C ATOM 843 CD2 LEU A 58 6.960 2.678 3.080 1.00 0.00 C ATOM 0 H LEU A 58 4.912 1.521 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 58 7.324 1.244 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.584 0.581 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.970 0.237 2.787 1.00 0.00 H new ATOM 0 HG LEU A 58 5.439 2.977 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.508 3.579 3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.534 2.329 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.634 1.880 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.942 3.712 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.164 2.018 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.742 2.560 2.330 1.00 0.00 H new ATOM 855 N LYS A 59 6.106 -1.763 0.249 1.00 0.00 N ATOM 856 CA LYS A 59 6.450 -3.180 0.206 1.00 0.00 C ATOM 857 C LYS A 59 7.741 -3.402 -0.576 1.00 0.00 C ATOM 858 O LYS A 59 8.683 -4.018 -0.078 1.00 0.00 O ATOM 859 CB LYS A 59 5.312 -3.983 -0.428 1.00 0.00 C ATOM 860 CG LYS A 59 5.729 -5.369 -0.889 1.00 0.00 C ATOM 861 CD LYS A 59 4.544 -6.319 -0.941 1.00 0.00 C ATOM 862 CE LYS A 59 4.995 -7.771 -0.958 1.00 0.00 C ATOM 863 NZ LYS A 59 5.630 -8.140 -2.253 1.00 0.00 N ATOM 0 H LYS A 59 5.188 -1.541 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 59 6.602 -3.523 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.500 -4.078 0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.918 -3.429 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.187 -5.303 -1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.486 -5.766 -0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.900 -6.147 -0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.948 -6.111 -1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.702 -7.941 -0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.138 -8.419 -0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.923 -9.137 -2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.948 -8.002 -3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.463 -7.539 -2.415 1.00 0.00 H new ATOM 877 N THR A 60 7.777 -2.896 -1.805 1.00 0.00 N ATOM 878 CA THR A 60 8.952 -3.040 -2.656 1.00 0.00 C ATOM 879 C THR A 60 9.690 -1.714 -2.802 1.00 0.00 C ATOM 880 O THR A 60 10.496 -1.538 -3.717 1.00 0.00 O ATOM 881 CB THR A 60 8.572 -3.560 -4.055 1.00 0.00 C ATOM 882 OG1 THR A 60 7.669 -2.647 -4.689 1.00 0.00 O ATOM 883 CG2 THR A 60 7.930 -4.936 -3.965 1.00 0.00 C ATOM 0 H THR A 60 7.006 -2.383 -2.233 1.00 0.00 H new ATOM 0 HA THR A 60 9.606 -3.766 -2.172 1.00 0.00 H new ATOM 0 HB THR A 60 9.483 -3.640 -4.648 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.434 -2.984 -5.579 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.670 -5.282 -4.965 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.631 -5.635 -3.509 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.028 -4.878 -3.356 1.00 0.00 H new ATOM 891 N HIS A 61 9.411 -0.783 -1.895 1.00 0.00 N ATOM 892 CA HIS A 61 10.050 0.527 -1.923 1.00 0.00 C ATOM 893 C HIS A 61 11.537 0.414 -1.599 1.00 0.00 C ATOM 894 O HIS A 61 12.384 1.050 -2.226 1.00 0.00 O ATOM 895 CB HIS A 61 9.370 1.471 -0.931 1.00 0.00 C ATOM 896 CG HIS A 61 10.222 2.637 -0.534 1.00 0.00 C ATOM 897 ND1 HIS A 61 10.762 3.520 -1.445 1.00 0.00 N ATOM 898 CD2 HIS A 61 10.625 3.065 0.686 1.00 0.00 C ATOM 899 CE1 HIS A 61 11.462 4.439 -0.804 1.00 0.00 C ATOM 900 NE2 HIS A 61 11.394 4.185 0.491 1.00 0.00 N ATOM 0 H HIS A 61 8.747 -0.912 -1.132 1.00 0.00 H new ATOM 0 HA HIS A 61 9.946 0.933 -2.929 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.444 1.841 -1.371 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.097 0.910 -0.037 1.00 0.00 H new ATOM 0 HD1 HIS A 61 10.640 3.471 -2.457 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.386 2.610 1.636 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.998 5.258 -1.260 1.00 0.00 H new ATOM 908 N PRO A 62 11.863 -0.415 -0.596 1.00 0.00 N ATOM 909 CA PRO A 62 13.247 -0.631 -0.166 1.00 0.00 C ATOM 910 C PRO A 62 14.183 -0.903 -1.339 1.00 0.00 C ATOM 911 O PRO A 62 15.306 -0.401 -1.377 1.00 0.00 O ATOM 912 CB PRO A 62 13.150 -1.863 0.737 1.00 0.00 C ATOM 913 CG PRO A 62 11.751 -1.847 1.250 1.00 0.00 C ATOM 914 CD PRO A 62 10.904 -1.206 0.194 1.00 0.00 C ATOM 0 HA PRO A 62 13.661 0.247 0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 62 13.358 -2.778 0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 62 13.871 -1.814 1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.406 -2.859 1.459 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.689 -1.290 2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.399 -1.951 -0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.130 -0.575 0.631 1.00 0.00 H new ATOM 922 N GLU A 63 13.713 -1.700 -2.293 1.00 0.00 N ATOM 923 CA GLU A 63 14.509 -2.038 -3.467 1.00 0.00 C ATOM 924 C GLU A 63 15.088 -0.782 -4.111 1.00 0.00 C ATOM 925 O GLU A 63 16.293 -0.692 -4.351 1.00 0.00 O ATOM 926 CB GLU A 63 13.660 -2.802 -4.485 1.00 0.00 C ATOM 927 CG GLU A 63 13.243 -4.185 -4.014 1.00 0.00 C ATOM 928 CD GLU A 63 14.359 -5.205 -4.140 1.00 0.00 C ATOM 929 OE1 GLU A 63 15.157 -5.094 -5.094 1.00 0.00 O ATOM 930 OE2 GLU A 63 14.433 -6.112 -3.286 1.00 0.00 O ATOM 0 H GLU A 63 12.785 -2.124 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 63 15.334 -2.673 -3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.767 -2.220 -4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.221 -2.898 -5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.922 -4.129 -2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.383 -4.519 -4.595 1.00 0.00 H new ATOM 937 N VAL A 64 14.221 0.186 -4.390 1.00 0.00 N ATOM 938 CA VAL A 64 14.645 1.438 -5.006 1.00 0.00 C ATOM 939 C VAL A 64 15.259 2.378 -3.975 1.00 0.00 C ATOM 940 O VAL A 64 16.207 3.107 -4.270 1.00 0.00 O ATOM 941 CB VAL A 64 13.468 2.150 -5.697 1.00 0.00 C ATOM 942 CG1 VAL A 64 12.915 1.296 -6.828 1.00 0.00 C ATOM 943 CG2 VAL A 64 12.379 2.481 -4.687 1.00 0.00 C ATOM 0 H VAL A 64 13.221 0.127 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 64 15.396 1.184 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 64 13.832 3.084 -6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.084 1.816 -7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.699 1.115 -7.564 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.566 0.344 -6.428 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.555 2.984 -5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.016 1.561 -4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.785 3.135 -3.916 1.00 0.00 H new ATOM 953 N CYS A 65 14.714 2.356 -2.763 1.00 0.00 N ATOM 954 CA CYS A 65 15.207 3.205 -1.686 1.00 0.00 C ATOM 955 C CYS A 65 16.703 2.995 -1.469 1.00 0.00 C ATOM 956 O CYS A 65 17.199 1.871 -1.538 1.00 0.00 O ATOM 957 CB CYS A 65 14.446 2.916 -0.391 1.00 0.00 C ATOM 958 SG CYS A 65 15.044 3.859 1.049 1.00 0.00 S ATOM 0 H CYS A 65 13.930 1.758 -2.502 1.00 0.00 H new ATOM 0 HA CYS A 65 15.042 4.244 -1.971 1.00 0.00 H new ATOM 0 HB2 CYS A 65 13.390 3.139 -0.545 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.518 1.851 -0.170 1.00 0.00 H new ATOM 963 N GLY A 66 17.416 4.086 -1.205 1.00 0.00 N ATOM 964 CA GLY A 66 18.847 4.000 -0.981 1.00 0.00 C ATOM 965 C GLY A 66 19.627 3.828 -2.270 1.00 0.00 C ATOM 966 O GLY A 66 20.643 4.490 -2.481 1.00 0.00 O ATOM 0 H GLY A 66 17.028 5.027 -1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.187 4.902 -0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 66 19.058 3.161 -0.318 1.00 0.00 H new ATOM 970 N ARG A 67 19.150 2.938 -3.134 1.00 0.00 N ATOM 971 CA ARG A 67 19.811 2.679 -4.407 1.00 0.00 C ATOM 972 C ARG A 67 19.791 3.922 -5.292 1.00 0.00 C ATOM 973 O ARG A 67 20.813 4.309 -5.858 1.00 0.00 O ATOM 974 CB ARG A 67 19.133 1.514 -5.131 1.00 0.00 C ATOM 975 CG ARG A 67 19.788 1.155 -6.454 1.00 0.00 C ATOM 976 CD ARG A 67 19.329 -0.206 -6.952 1.00 0.00 C ATOM 977 NE ARG A 67 19.696 -1.278 -6.031 1.00 0.00 N ATOM 978 CZ ARG A 67 20.940 -1.714 -5.868 1.00 0.00 C ATOM 979 NH1 ARG A 67 21.932 -1.171 -6.561 1.00 0.00 N ATOM 980 NH2 ARG A 67 21.195 -2.693 -5.011 1.00 0.00 N ATOM 0 H ARG A 67 18.308 2.384 -2.975 1.00 0.00 H new ATOM 0 HA ARG A 67 20.849 2.416 -4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 67 19.142 0.639 -4.481 1.00 0.00 H new ATOM 0 HB3 ARG A 67 18.088 1.767 -5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 67 19.549 1.915 -7.198 1.00 0.00 H new ATOM 0 HG3 ARG A 67 20.872 1.154 -6.336 1.00 0.00 H new ATOM 0 HD2 ARG A 67 18.247 -0.197 -7.085 1.00 0.00 H new ATOM 0 HD3 ARG A 67 19.769 -0.402 -7.930 1.00 0.00 H new ATOM 0 HE ARG A 67 18.956 -1.716 -5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 67 21.740 -0.417 -7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 67 22.887 -1.507 -6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 67 20.435 -3.113 -4.475 1.00 0.00 H new ATOM 0 HH22 ARG A 67 22.151 -3.026 -4.887 1.00 0.00 H new ATOM 994 N GLU A 68 18.621 4.542 -5.406 1.00 0.00 N ATOM 995 CA GLU A 68 18.468 5.741 -6.223 1.00 0.00 C ATOM 996 C GLU A 68 19.026 6.965 -5.503 1.00 0.00 C ATOM 997 O GLU A 68 19.194 6.959 -4.284 1.00 0.00 O ATOM 998 CB GLU A 68 16.995 5.965 -6.569 1.00 0.00 C ATOM 999 CG GLU A 68 16.111 6.182 -5.352 1.00 0.00 C ATOM 1000 CD GLU A 68 16.121 7.620 -4.872 1.00 0.00 C ATOM 1001 OE1 GLU A 68 15.302 8.419 -5.375 1.00 0.00 O ATOM 1002 OE2 GLU A 68 16.947 7.948 -3.995 1.00 0.00 O ATOM 0 H GLU A 68 17.765 4.235 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 68 19.031 5.596 -7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.912 6.830 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.626 5.104 -7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.089 5.891 -5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.445 5.531 -4.544 1.00 0.00 H new ATOM 1009 N GLY A 69 19.311 8.015 -6.267 1.00 0.00 N ATOM 1010 CA GLY A 69 19.847 9.232 -5.686 1.00 0.00 C ATOM 1011 C GLY A 69 21.294 9.082 -5.259 1.00 0.00 C ATOM 1012 O GLY A 69 21.954 8.104 -5.611 1.00 0.00 O ATOM 0 H GLY A 69 19.180 8.045 -7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 69 19.767 10.043 -6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 69 19.244 9.515 -4.823 1.00 0.00 H new ATOM 1016 N SER A 70 21.789 10.054 -4.500 1.00 0.00 N ATOM 1017 CA SER A 70 23.169 10.029 -4.029 1.00 0.00 C ATOM 1018 C SER A 70 23.318 10.829 -2.739 1.00 0.00 C ATOM 1019 O SER A 70 22.579 11.783 -2.498 1.00 0.00 O ATOM 1020 CB SER A 70 24.106 10.589 -5.101 1.00 0.00 C ATOM 1021 OG SER A 70 24.532 9.570 -5.989 1.00 0.00 O ATOM 0 H SER A 70 21.255 10.869 -4.198 1.00 0.00 H new ATOM 0 HA SER A 70 23.439 8.993 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 70 23.596 11.373 -5.660 1.00 0.00 H new ATOM 0 HB3 SER A 70 24.973 11.048 -4.627 1.00 0.00 H new ATOM 0 HG SER A 70 23.837 8.882 -6.055 1.00 0.00 H new ATOM 1027 N GLY A 71 24.281 10.433 -1.912 1.00 0.00 N ATOM 1028 CA GLY A 71 24.510 11.123 -0.656 1.00 0.00 C ATOM 1029 C GLY A 71 25.889 11.748 -0.581 1.00 0.00 C ATOM 1030 O GLY A 71 26.869 11.205 -1.092 1.00 0.00 O ATOM 0 H GLY A 71 24.906 9.647 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 71 23.755 11.899 -0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 71 24.387 10.421 0.168 1.00 0.00 H new ATOM 1034 N PRO A 72 25.977 12.919 0.067 1.00 0.00 N ATOM 1035 CA PRO A 72 27.242 13.645 0.221 1.00 0.00 C ATOM 1036 C PRO A 72 28.206 12.937 1.166 1.00 0.00 C ATOM 1037 O PRO A 72 27.841 11.963 1.826 1.00 0.00 O ATOM 1038 CB PRO A 72 26.809 14.991 0.808 1.00 0.00 C ATOM 1039 CG PRO A 72 25.522 14.705 1.502 1.00 0.00 C ATOM 1040 CD PRO A 72 24.851 13.624 0.700 1.00 0.00 C ATOM 0 HA PRO A 72 27.781 13.729 -0.723 1.00 0.00 H new ATOM 0 HB2 PRO A 72 27.555 15.379 1.502 1.00 0.00 H new ATOM 0 HB3 PRO A 72 26.680 15.740 0.027 1.00 0.00 H new ATOM 0 HG2 PRO A 72 25.696 14.379 2.528 1.00 0.00 H new ATOM 0 HG3 PRO A 72 24.899 15.598 1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 72 24.266 12.958 1.334 1.00 0.00 H new ATOM 0 HD3 PRO A 72 24.169 14.039 -0.042 1.00 0.00 H new ATOM 1048 N SER A 73 29.438 13.432 1.228 1.00 0.00 N ATOM 1049 CA SER A 73 30.455 12.843 2.091 1.00 0.00 C ATOM 1050 C SER A 73 30.048 12.943 3.558 1.00 0.00 C ATOM 1051 O SER A 73 29.083 13.626 3.900 1.00 0.00 O ATOM 1052 CB SER A 73 31.801 13.539 1.876 1.00 0.00 C ATOM 1053 OG SER A 73 32.365 13.182 0.626 1.00 0.00 O ATOM 0 H SER A 73 29.756 14.239 0.691 1.00 0.00 H new ATOM 0 HA SER A 73 30.552 11.789 1.830 1.00 0.00 H new ATOM 0 HB2 SER A 73 31.667 14.620 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 73 32.487 13.268 2.679 1.00 0.00 H new ATOM 0 HG SER A 73 33.223 13.641 0.511 1.00 0.00 H new ATOM 1059 N SER A 74 30.790 12.256 4.420 1.00 0.00 N ATOM 1060 CA SER A 74 30.505 12.263 5.850 1.00 0.00 C ATOM 1061 C SER A 74 31.078 13.512 6.512 1.00 0.00 C ATOM 1062 O SER A 74 30.404 14.177 7.297 1.00 0.00 O ATOM 1063 CB SER A 74 31.081 11.010 6.513 1.00 0.00 C ATOM 1064 OG SER A 74 30.401 9.845 6.079 1.00 0.00 O ATOM 0 H SER A 74 31.593 11.687 4.153 1.00 0.00 H new ATOM 0 HA SER A 74 29.423 12.269 5.980 1.00 0.00 H new ATOM 0 HB2 SER A 74 32.142 10.925 6.277 1.00 0.00 H new ATOM 0 HB3 SER A 74 31.002 11.099 7.596 1.00 0.00 H new ATOM 0 HG SER A 74 30.789 9.058 6.516 1.00 0.00 H new ATOM 1070 N GLY A 75 32.329 13.824 6.189 1.00 0.00 N ATOM 1071 CA GLY A 75 32.974 14.992 6.761 1.00 0.00 C ATOM 1072 C GLY A 75 33.607 14.703 8.107 1.00 0.00 C ATOM 1073 O GLY A 75 34.800 14.407 8.157 1.00 0.00 O ATOM 0 H GLY A 75 32.908 13.289 5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 75 33.738 15.354 6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 75 32.241 15.791 6.872 1.00 0.00 H new TER 1077 GLY A 75 HETATM 1078 ZN ZN A 401 -7.097 -0.918 3.895 1.00 0.00 ZN HETATM 1079 ZN ZN A 601 13.036 5.032 1.386 1.00 0.00 ZN