USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0117 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 1.24 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 29:sc= 0.212 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -129:sc= -0.248 (180deg=-1.62!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.036 K(o=-0.036,f=-1.3) USER MOD Single : A 22 HIS : no HD1:sc= -0.859 K(o=-0.86,f=-1.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.4!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.86! C(o=-2.9!,f=-4.2!) USER MOD Single : A 44 THR OG1 : rot 97:sc= 0.855 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.51) USER MOD Single : A 59 GLN : amide:sc= -1.63 K(o=-1.6,f=0.042) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -2.83! C(o=-2.8!,f=-0.91!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0463) USER MOD Single : A 71 SER OG : rot -130:sc= -0.96 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -55:sc= 0.0638 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.776 -46.896 23.007 1.00 0.00 N ATOM 2 CA GLY A 1 33.752 -45.891 22.789 1.00 0.00 C ATOM 3 C GLY A 1 32.667 -46.366 21.844 1.00 0.00 C ATOM 4 O GLY A 1 32.943 -47.074 20.875 1.00 0.00 O ATOM 0 H1 GLY A 1 34.632 -47.342 23.935 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.717 -47.619 22.262 1.00 0.00 H new ATOM 0 H3 GLY A 1 35.714 -46.448 22.980 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.304 -45.620 23.745 1.00 0.00 H new ATOM 0 HA3 GLY A 1 34.212 -44.989 22.385 1.00 0.00 H new ATOM 8 N SER A 2 31.427 -45.977 22.125 1.00 0.00 N ATOM 9 CA SER A 2 30.295 -46.372 21.296 1.00 0.00 C ATOM 10 C SER A 2 29.042 -45.589 21.677 1.00 0.00 C ATOM 11 O SER A 2 28.707 -45.469 22.855 1.00 0.00 O ATOM 12 CB SER A 2 30.034 -47.873 21.434 1.00 0.00 C ATOM 13 OG SER A 2 30.866 -48.618 20.561 1.00 0.00 O ATOM 0 H SER A 2 31.181 -45.388 22.921 1.00 0.00 H new ATOM 0 HA SER A 2 30.541 -46.147 20.258 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.212 -48.183 22.464 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.988 -48.085 21.214 1.00 0.00 H new ATOM 0 HG SER A 2 31.670 -48.098 20.353 1.00 0.00 H new ATOM 19 N SER A 3 28.355 -45.058 20.671 1.00 0.00 N ATOM 20 CA SER A 3 27.141 -44.283 20.900 1.00 0.00 C ATOM 21 C SER A 3 26.428 -43.989 19.584 1.00 0.00 C ATOM 22 O SER A 3 26.930 -44.309 18.507 1.00 0.00 O ATOM 23 CB SER A 3 27.474 -42.973 21.616 1.00 0.00 C ATOM 24 OG SER A 3 28.501 -42.269 20.939 1.00 0.00 O ATOM 0 H SER A 3 28.618 -45.150 19.690 1.00 0.00 H new ATOM 0 HA SER A 3 26.476 -44.874 21.530 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.581 -42.351 21.677 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.786 -43.183 22.639 1.00 0.00 H new ATOM 0 HG SER A 3 28.694 -41.435 21.415 1.00 0.00 H new ATOM 30 N GLY A 4 25.252 -43.376 19.679 1.00 0.00 N ATOM 31 CA GLY A 4 24.488 -43.049 18.489 1.00 0.00 C ATOM 32 C GLY A 4 22.992 -43.159 18.712 1.00 0.00 C ATOM 33 O GLY A 4 22.494 -44.209 19.118 1.00 0.00 O ATOM 0 H GLY A 4 24.815 -43.100 20.558 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.731 -42.035 18.172 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.781 -43.716 17.678 1.00 0.00 H new ATOM 37 N SER A 5 22.274 -42.073 18.447 1.00 0.00 N ATOM 38 CA SER A 5 20.827 -42.050 18.627 1.00 0.00 C ATOM 39 C SER A 5 20.234 -40.749 18.095 1.00 0.00 C ATOM 40 O SER A 5 20.681 -39.659 18.451 1.00 0.00 O ATOM 41 CB SER A 5 20.473 -42.219 20.105 1.00 0.00 C ATOM 42 OG SER A 5 21.033 -41.178 20.886 1.00 0.00 O ATOM 0 H SER A 5 22.670 -41.197 18.107 1.00 0.00 H new ATOM 0 HA SER A 5 20.402 -42.880 18.062 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.390 -42.225 20.224 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.838 -43.182 20.462 1.00 0.00 H new ATOM 0 HG SER A 5 21.112 -40.367 20.342 1.00 0.00 H new ATOM 48 N SER A 6 19.223 -40.872 17.241 1.00 0.00 N ATOM 49 CA SER A 6 18.570 -39.707 16.656 1.00 0.00 C ATOM 50 C SER A 6 17.264 -40.102 15.973 1.00 0.00 C ATOM 51 O SER A 6 17.185 -41.134 15.308 1.00 0.00 O ATOM 52 CB SER A 6 19.499 -39.027 15.649 1.00 0.00 C ATOM 53 OG SER A 6 19.150 -37.665 15.472 1.00 0.00 O ATOM 0 H SER A 6 18.838 -41.767 16.939 1.00 0.00 H new ATOM 0 HA SER A 6 18.343 -39.007 17.460 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.530 -39.099 15.994 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.446 -39.547 14.692 1.00 0.00 H new ATOM 0 HG SER A 6 19.760 -37.252 14.825 1.00 0.00 H new ATOM 59 N GLY A 7 16.239 -39.272 16.144 1.00 0.00 N ATOM 60 CA GLY A 7 14.950 -39.550 15.539 1.00 0.00 C ATOM 61 C GLY A 7 14.015 -38.358 15.592 1.00 0.00 C ATOM 62 O GLY A 7 13.551 -37.970 16.665 1.00 0.00 O ATOM 0 H GLY A 7 16.279 -38.412 16.691 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.096 -39.847 14.501 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.487 -40.394 16.050 1.00 0.00 H new ATOM 66 N LEU A 8 13.739 -37.774 14.431 1.00 0.00 N ATOM 67 CA LEU A 8 12.854 -36.617 14.349 1.00 0.00 C ATOM 68 C LEU A 8 12.011 -36.666 13.079 1.00 0.00 C ATOM 69 O LEU A 8 12.471 -37.125 12.032 1.00 0.00 O ATOM 70 CB LEU A 8 13.669 -35.323 14.384 1.00 0.00 C ATOM 71 CG LEU A 8 12.915 -34.044 14.021 1.00 0.00 C ATOM 72 CD1 LEU A 8 13.554 -32.838 14.692 1.00 0.00 C ATOM 73 CD2 LEU A 8 12.876 -33.858 12.511 1.00 0.00 C ATOM 0 H LEU A 8 14.115 -38.082 13.534 1.00 0.00 H new ATOM 0 HA LEU A 8 12.185 -36.641 15.209 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.083 -35.205 15.386 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.512 -35.430 13.701 1.00 0.00 H new ATOM 0 HG LEU A 8 11.891 -34.134 14.383 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.003 -31.937 14.422 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.529 -32.968 15.774 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.589 -32.744 14.362 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.335 -32.942 12.271 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.894 -33.790 12.126 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.371 -34.708 12.053 1.00 0.00 H new ATOM 85 N LEU A 9 10.776 -36.187 13.176 1.00 0.00 N ATOM 86 CA LEU A 9 9.868 -36.173 12.034 1.00 0.00 C ATOM 87 C LEU A 9 8.706 -35.215 12.274 1.00 0.00 C ATOM 88 O LEU A 9 8.292 -34.999 13.412 1.00 0.00 O ATOM 89 CB LEU A 9 9.335 -37.581 11.764 1.00 0.00 C ATOM 90 CG LEU A 9 8.474 -38.196 12.868 1.00 0.00 C ATOM 91 CD1 LEU A 9 7.065 -37.627 12.826 1.00 0.00 C ATOM 92 CD2 LEU A 9 8.443 -39.712 12.738 1.00 0.00 C ATOM 0 H LEU A 9 10.380 -35.803 14.034 1.00 0.00 H new ATOM 0 HA LEU A 9 10.425 -35.828 11.163 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.749 -37.556 10.845 1.00 0.00 H new ATOM 0 HB3 LEU A 9 10.184 -38.241 11.583 1.00 0.00 H new ATOM 0 HG LEU A 9 8.917 -37.943 13.831 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.467 -38.077 13.619 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.104 -36.547 12.969 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.612 -37.849 11.860 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.826 -40.133 13.532 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.025 -39.986 11.769 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.456 -40.105 12.820 1.00 0.00 H new ATOM 104 N GLU A 10 8.183 -34.645 11.192 1.00 0.00 N ATOM 105 CA GLU A 10 7.067 -33.711 11.286 1.00 0.00 C ATOM 106 C GLU A 10 6.487 -33.416 9.906 1.00 0.00 C ATOM 107 O GLU A 10 7.204 -32.996 8.997 1.00 0.00 O ATOM 108 CB GLU A 10 7.518 -32.408 11.951 1.00 0.00 C ATOM 109 CG GLU A 10 8.765 -31.806 11.326 1.00 0.00 C ATOM 110 CD GLU A 10 9.337 -30.667 12.147 1.00 0.00 C ATOM 111 OE1 GLU A 10 9.812 -30.927 13.273 1.00 0.00 O ATOM 112 OE2 GLU A 10 9.311 -29.515 11.665 1.00 0.00 O ATOM 0 H GLU A 10 8.514 -34.814 10.242 1.00 0.00 H new ATOM 0 HA GLU A 10 6.291 -34.172 11.896 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.707 -31.682 11.895 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.706 -32.596 13.008 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.521 -32.583 11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.527 -31.444 10.326 1.00 0.00 H new ATOM 119 N ILE A 11 5.186 -33.639 9.757 1.00 0.00 N ATOM 120 CA ILE A 11 4.509 -33.397 8.489 1.00 0.00 C ATOM 121 C ILE A 11 3.470 -32.289 8.623 1.00 0.00 C ATOM 122 O ILE A 11 2.656 -32.294 9.547 1.00 0.00 O ATOM 123 CB ILE A 11 3.821 -34.671 7.966 1.00 0.00 C ATOM 124 CG1 ILE A 11 4.773 -35.866 8.059 1.00 0.00 C ATOM 125 CG2 ILE A 11 3.353 -34.470 6.533 1.00 0.00 C ATOM 126 CD1 ILE A 11 4.098 -37.196 7.807 1.00 0.00 C ATOM 0 H ILE A 11 4.579 -33.987 10.499 1.00 0.00 H new ATOM 0 HA ILE A 11 5.274 -33.089 7.776 1.00 0.00 H new ATOM 0 HB ILE A 11 2.949 -34.876 8.587 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.580 -35.735 7.338 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.229 -35.881 9.049 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.869 -35.379 6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.644 -33.643 6.494 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.210 -34.244 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.832 -37.998 7.889 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.309 -37.349 8.544 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.666 -37.201 6.806 1.00 0.00 H new ATOM 138 N LYS A 12 3.500 -31.341 7.693 1.00 0.00 N ATOM 139 CA LYS A 12 2.559 -30.227 7.704 1.00 0.00 C ATOM 140 C LYS A 12 2.338 -29.689 6.294 1.00 0.00 C ATOM 141 O LYS A 12 3.292 -29.434 5.559 1.00 0.00 O ATOM 142 CB LYS A 12 3.071 -29.109 8.614 1.00 0.00 C ATOM 143 CG LYS A 12 1.984 -28.151 9.071 1.00 0.00 C ATOM 144 CD LYS A 12 2.570 -26.938 9.774 1.00 0.00 C ATOM 145 CE LYS A 12 2.994 -25.868 8.780 1.00 0.00 C ATOM 146 NZ LYS A 12 4.400 -26.060 8.326 1.00 0.00 N ATOM 0 H LYS A 12 4.167 -31.322 6.921 1.00 0.00 H new ATOM 0 HA LYS A 12 1.606 -30.592 8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.544 -29.553 9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.841 -28.546 8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.398 -27.827 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.301 -28.669 9.745 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.834 -26.525 10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.430 -27.242 10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.328 -25.889 7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.891 -24.885 9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.925 -25.169 8.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.852 -26.801 8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.406 -26.345 7.326 1.00 0.00 H new ATOM 160 N ARG A 13 1.073 -29.516 5.923 1.00 0.00 N ATOM 161 CA ARG A 13 0.727 -29.007 4.602 1.00 0.00 C ATOM 162 C ARG A 13 -0.748 -28.622 4.537 1.00 0.00 C ATOM 163 O ARG A 13 -1.574 -29.158 5.275 1.00 0.00 O ATOM 164 CB ARG A 13 1.039 -30.054 3.531 1.00 0.00 C ATOM 165 CG ARG A 13 1.411 -29.456 2.184 1.00 0.00 C ATOM 166 CD ARG A 13 1.413 -30.509 1.088 1.00 0.00 C ATOM 167 NE ARG A 13 2.044 -30.024 -0.137 1.00 0.00 N ATOM 168 CZ ARG A 13 2.622 -30.819 -1.031 1.00 0.00 C ATOM 169 NH1 ARG A 13 2.648 -32.130 -0.838 1.00 0.00 N ATOM 170 NH2 ARG A 13 3.174 -30.302 -2.121 1.00 0.00 N ATOM 0 H ARG A 13 0.271 -29.721 6.519 1.00 0.00 H new ATOM 0 HA ARG A 13 1.326 -28.116 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.858 -30.683 3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.171 -30.701 3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.706 -28.665 1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.397 -28.995 2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.939 -31.397 1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.388 -30.810 0.873 1.00 0.00 H new ATOM 0 HE ARG A 13 2.041 -29.020 -0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.224 -32.531 -0.002 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.092 -32.738 -1.526 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.155 -29.294 -2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.618 -30.913 -2.807 1.00 0.00 H new ATOM 184 N LYS A 14 -1.071 -27.688 3.649 1.00 0.00 N ATOM 185 CA LYS A 14 -2.446 -27.230 3.485 1.00 0.00 C ATOM 186 C LYS A 14 -3.196 -28.104 2.485 1.00 0.00 C ATOM 187 O LYS A 14 -3.277 -27.780 1.301 1.00 0.00 O ATOM 188 CB LYS A 14 -2.468 -25.772 3.021 1.00 0.00 C ATOM 189 CG LYS A 14 -1.454 -25.465 1.932 1.00 0.00 C ATOM 190 CD LYS A 14 -1.664 -24.077 1.350 1.00 0.00 C ATOM 191 CE LYS A 14 -0.866 -23.028 2.109 1.00 0.00 C ATOM 192 NZ LYS A 14 -1.177 -21.649 1.641 1.00 0.00 N ATOM 0 H LYS A 14 -0.399 -27.233 3.031 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.945 -27.305 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.466 -25.531 2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.277 -25.124 3.877 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.446 -25.541 2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.534 -26.209 1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.368 -24.072 0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.724 -23.824 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.083 -23.107 3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.199 -23.222 1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.613 -20.963 2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.947 -21.565 0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.189 -21.454 1.783 1.00 0.00 H new ATOM 206 N GLY A 15 -3.744 -29.214 2.971 1.00 0.00 N ATOM 207 CA GLY A 15 -4.481 -30.117 2.106 1.00 0.00 C ATOM 208 C GLY A 15 -4.675 -31.486 2.727 1.00 0.00 C ATOM 209 O GLY A 15 -4.248 -32.495 2.167 1.00 0.00 O ATOM 0 H GLY A 15 -3.691 -29.504 3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.455 -29.683 1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.950 -30.223 1.160 1.00 0.00 H new ATOM 213 N ALA A 16 -5.319 -31.521 3.889 1.00 0.00 N ATOM 214 CA ALA A 16 -5.569 -32.776 4.586 1.00 0.00 C ATOM 215 C ALA A 16 -7.061 -33.088 4.638 1.00 0.00 C ATOM 216 O ALA A 16 -7.496 -34.164 4.228 1.00 0.00 O ATOM 217 CB ALA A 16 -4.990 -32.722 5.992 1.00 0.00 C ATOM 0 H ALA A 16 -5.677 -30.694 4.367 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.077 -33.575 4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.184 -33.666 6.502 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.915 -32.554 5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.456 -31.908 6.547 1.00 0.00 H new ATOM 223 N LYS A 17 -7.841 -32.140 5.146 1.00 0.00 N ATOM 224 CA LYS A 17 -9.285 -32.312 5.252 1.00 0.00 C ATOM 225 C LYS A 17 -10.022 -31.187 4.531 1.00 0.00 C ATOM 226 O LYS A 17 -9.544 -30.054 4.479 1.00 0.00 O ATOM 227 CB LYS A 17 -9.709 -32.353 6.722 1.00 0.00 C ATOM 228 CG LYS A 17 -11.185 -32.647 6.922 1.00 0.00 C ATOM 229 CD LYS A 17 -11.635 -32.307 8.333 1.00 0.00 C ATOM 230 CE LYS A 17 -11.882 -30.815 8.495 1.00 0.00 C ATOM 231 NZ LYS A 17 -13.258 -30.431 8.071 1.00 0.00 N ATOM 0 H LYS A 17 -7.497 -31.244 5.491 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.548 -33.258 4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.123 -33.112 7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.472 -31.396 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.772 -32.074 6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.377 -33.701 6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.547 -32.855 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.877 -32.631 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.731 -30.533 9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.152 -30.260 7.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.387 -29.407 8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.394 -30.677 7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.955 -30.941 8.650 1.00 0.00 H new ATOM 245 N ARG A 18 -11.187 -31.508 3.978 1.00 0.00 N ATOM 246 CA ARG A 18 -11.989 -30.524 3.260 1.00 0.00 C ATOM 247 C ARG A 18 -12.158 -29.254 4.088 1.00 0.00 C ATOM 248 O ARG A 18 -11.940 -29.255 5.298 1.00 0.00 O ATOM 249 CB ARG A 18 -13.360 -31.107 2.914 1.00 0.00 C ATOM 250 CG ARG A 18 -13.291 -32.353 2.047 1.00 0.00 C ATOM 251 CD ARG A 18 -14.568 -32.545 1.245 1.00 0.00 C ATOM 252 NE ARG A 18 -14.377 -33.458 0.121 1.00 0.00 N ATOM 253 CZ ARG A 18 -14.286 -34.777 0.253 1.00 0.00 C ATOM 254 NH1 ARG A 18 -14.367 -35.334 1.453 1.00 0.00 N ATOM 255 NH2 ARG A 18 -14.112 -35.542 -0.818 1.00 0.00 N ATOM 0 H ARG A 18 -11.597 -32.441 4.013 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.467 -30.269 2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.887 -31.346 3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.948 -30.348 2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.441 -32.279 1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.121 -33.226 2.676 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.351 -32.932 1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.911 -31.579 0.873 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.310 -33.061 -0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.500 -34.750 2.279 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.297 -36.347 1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.048 -35.117 -1.743 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.042 -36.554 -0.716 1.00 0.00 H new ATOM 269 N GLY A 19 -12.548 -28.169 3.424 1.00 0.00 N ATOM 270 CA GLY A 19 -12.740 -26.907 4.114 1.00 0.00 C ATOM 271 C GLY A 19 -12.061 -25.751 3.406 1.00 0.00 C ATOM 272 O GLY A 19 -11.115 -25.163 3.929 1.00 0.00 O ATOM 0 H GLY A 19 -12.734 -28.142 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.807 -26.701 4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.350 -26.988 5.128 1.00 0.00 H new ATOM 276 N SER A 20 -12.545 -25.424 2.212 1.00 0.00 N ATOM 277 CA SER A 20 -11.976 -24.334 1.429 1.00 0.00 C ATOM 278 C SER A 20 -13.059 -23.616 0.629 1.00 0.00 C ATOM 279 O SER A 20 -13.581 -24.152 -0.348 1.00 0.00 O ATOM 280 CB SER A 20 -10.897 -24.866 0.484 1.00 0.00 C ATOM 281 OG SER A 20 -10.299 -23.814 -0.253 1.00 0.00 O ATOM 0 H SER A 20 -13.330 -25.899 1.766 1.00 0.00 H new ATOM 0 HA SER A 20 -11.526 -23.621 2.119 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.134 -25.391 1.058 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.335 -25.591 -0.202 1.00 0.00 H new ATOM 0 HG SER A 20 -9.612 -24.181 -0.848 1.00 0.00 H new ATOM 287 N GLN A 21 -13.390 -22.400 1.052 1.00 0.00 N ATOM 288 CA GLN A 21 -14.411 -21.609 0.376 1.00 0.00 C ATOM 289 C GLN A 21 -13.824 -20.874 -0.825 1.00 0.00 C ATOM 290 O GLN A 21 -14.418 -20.851 -1.903 1.00 0.00 O ATOM 291 CB GLN A 21 -15.035 -20.606 1.348 1.00 0.00 C ATOM 292 CG GLN A 21 -15.993 -21.239 2.344 1.00 0.00 C ATOM 293 CD GLN A 21 -16.279 -20.341 3.531 1.00 0.00 C ATOM 294 OE1 GLN A 21 -15.769 -19.223 3.615 1.00 0.00 O ATOM 295 NE2 GLN A 21 -17.098 -20.825 4.457 1.00 0.00 N ATOM 0 H GLN A 21 -12.966 -21.942 1.859 1.00 0.00 H new ATOM 0 HA GLN A 21 -15.185 -22.289 0.020 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -14.240 -20.099 1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.567 -19.844 0.779 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -16.930 -21.478 1.840 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -15.573 -22.180 2.698 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.498 -21.757 4.347 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -17.327 -20.265 5.278 1.00 0.00 H new ATOM 304 N HIS A 22 -12.654 -20.274 -0.631 1.00 0.00 N ATOM 305 CA HIS A 22 -11.986 -19.538 -1.698 1.00 0.00 C ATOM 306 C HIS A 22 -10.491 -19.414 -1.420 1.00 0.00 C ATOM 307 O HIS A 22 -10.082 -19.060 -0.314 1.00 0.00 O ATOM 308 CB HIS A 22 -12.604 -18.148 -1.852 1.00 0.00 C ATOM 309 CG HIS A 22 -12.656 -17.371 -0.573 1.00 0.00 C ATOM 310 ND1 HIS A 22 -13.551 -17.646 0.439 1.00 0.00 N ATOM 311 CD2 HIS A 22 -11.916 -16.322 -0.144 1.00 0.00 C ATOM 312 CE1 HIS A 22 -13.360 -16.799 1.435 1.00 0.00 C ATOM 313 NE2 HIS A 22 -12.373 -15.985 1.107 1.00 0.00 N ATOM 0 H HIS A 22 -12.149 -20.283 0.255 1.00 0.00 H new ATOM 0 HA HIS A 22 -12.120 -20.093 -2.627 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.030 -17.584 -2.587 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -13.615 -18.250 -2.247 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -11.115 -15.840 -0.685 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.917 -16.776 2.360 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -12.009 -15.229 1.688 1.00 0.00 H new ATOM 321 N TYR A 23 -9.680 -19.710 -2.430 1.00 0.00 N ATOM 322 CA TYR A 23 -8.230 -19.635 -2.293 1.00 0.00 C ATOM 323 C TYR A 23 -7.730 -18.218 -2.558 1.00 0.00 C ATOM 324 O TYR A 23 -7.007 -17.641 -1.746 1.00 0.00 O ATOM 325 CB TYR A 23 -7.555 -20.614 -3.255 1.00 0.00 C ATOM 326 CG TYR A 23 -6.134 -20.959 -2.870 1.00 0.00 C ATOM 327 CD1 TYR A 23 -5.066 -20.191 -3.317 1.00 0.00 C ATOM 328 CD2 TYR A 23 -5.859 -22.052 -2.057 1.00 0.00 C ATOM 329 CE1 TYR A 23 -3.766 -20.502 -2.969 1.00 0.00 C ATOM 330 CE2 TYR A 23 -4.562 -22.370 -1.702 1.00 0.00 C ATOM 331 CZ TYR A 23 -3.520 -21.592 -2.160 1.00 0.00 C ATOM 332 OH TYR A 23 -2.226 -21.905 -1.809 1.00 0.00 O ATOM 0 H TYR A 23 -10.002 -20.004 -3.352 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.973 -19.906 -1.269 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.143 -21.531 -3.299 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.557 -20.185 -4.257 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.256 -19.335 -3.948 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.673 -22.663 -1.696 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.947 -19.896 -3.328 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.366 -23.223 -1.069 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.226 -22.700 -1.235 1.00 0.00 H new ATOM 342 N SER A 24 -8.121 -17.664 -3.701 1.00 0.00 N ATOM 343 CA SER A 24 -7.711 -16.316 -4.077 1.00 0.00 C ATOM 344 C SER A 24 -8.277 -15.285 -3.105 1.00 0.00 C ATOM 345 O SER A 24 -9.347 -15.482 -2.527 1.00 0.00 O ATOM 346 CB SER A 24 -8.173 -15.998 -5.500 1.00 0.00 C ATOM 347 OG SER A 24 -7.556 -16.861 -6.441 1.00 0.00 O ATOM 0 H SER A 24 -8.721 -18.128 -4.383 1.00 0.00 H new ATOM 0 HA SER A 24 -6.623 -16.270 -4.037 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.256 -16.099 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.934 -14.962 -5.740 1.00 0.00 H new ATOM 0 HG SER A 24 -7.869 -16.639 -7.343 1.00 0.00 H new ATOM 353 N ASP A 25 -7.552 -14.186 -2.929 1.00 0.00 N ATOM 354 CA ASP A 25 -7.981 -13.123 -2.028 1.00 0.00 C ATOM 355 C ASP A 25 -7.103 -11.886 -2.191 1.00 0.00 C ATOM 356 O ASP A 25 -5.903 -11.993 -2.441 1.00 0.00 O ATOM 357 CB ASP A 25 -7.939 -13.606 -0.578 1.00 0.00 C ATOM 358 CG ASP A 25 -9.225 -14.292 -0.158 1.00 0.00 C ATOM 359 OD1 ASP A 25 -10.310 -13.789 -0.519 1.00 0.00 O ATOM 360 OD2 ASP A 25 -9.146 -15.330 0.530 1.00 0.00 O ATOM 0 H ASP A 25 -6.664 -14.008 -3.399 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.006 -12.855 -2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.105 -14.296 -0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.752 -12.757 0.079 1.00 0.00 H new ATOM 365 N ARG A 26 -7.710 -10.712 -2.047 1.00 0.00 N ATOM 366 CA ARG A 26 -6.984 -9.455 -2.180 1.00 0.00 C ATOM 367 C ARG A 26 -6.947 -8.706 -0.851 1.00 0.00 C ATOM 368 O ARG A 26 -7.870 -7.962 -0.518 1.00 0.00 O ATOM 369 CB ARG A 26 -7.632 -8.579 -3.254 1.00 0.00 C ATOM 370 CG ARG A 26 -7.883 -9.306 -4.565 1.00 0.00 C ATOM 371 CD ARG A 26 -6.579 -9.689 -5.247 1.00 0.00 C ATOM 372 NE ARG A 26 -6.129 -8.663 -6.184 1.00 0.00 N ATOM 373 CZ ARG A 26 -5.244 -8.886 -7.148 1.00 0.00 C ATOM 374 NH1 ARG A 26 -4.716 -10.092 -7.303 1.00 0.00 N ATOM 375 NH2 ARG A 26 -4.885 -7.900 -7.962 1.00 0.00 N ATOM 0 H ARG A 26 -8.703 -10.606 -1.838 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.961 -9.684 -2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.579 -8.195 -2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.991 -7.718 -3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.474 -10.202 -4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.469 -8.670 -5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.810 -9.853 -4.492 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.711 -10.632 -5.778 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.516 -7.724 -6.093 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.989 -10.852 -6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.036 -10.260 -8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.289 -6.971 -7.847 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.205 -8.072 -8.702 1.00 0.00 H new ATOM 389 N THR A 27 -5.872 -8.907 -0.095 1.00 0.00 N ATOM 390 CA THR A 27 -5.714 -8.253 1.198 1.00 0.00 C ATOM 391 C THR A 27 -4.348 -7.587 1.314 1.00 0.00 C ATOM 392 O THR A 27 -3.383 -8.012 0.678 1.00 0.00 O ATOM 393 CB THR A 27 -5.886 -9.252 2.358 1.00 0.00 C ATOM 394 OG1 THR A 27 -5.490 -10.562 1.938 1.00 0.00 O ATOM 395 CG2 THR A 27 -7.329 -9.281 2.837 1.00 0.00 C ATOM 0 H THR A 27 -5.098 -9.518 -0.356 1.00 0.00 H new ATOM 0 HA THR A 27 -6.492 -7.493 1.265 1.00 0.00 H new ATOM 0 HB THR A 27 -5.253 -8.929 3.184 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.601 -11.191 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.426 -9.993 3.656 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.618 -8.288 3.183 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.979 -9.582 2.015 1.00 0.00 H new ATOM 403 N CYS A 28 -4.272 -6.541 2.130 1.00 0.00 N ATOM 404 CA CYS A 28 -3.023 -5.816 2.330 1.00 0.00 C ATOM 405 C CYS A 28 -1.921 -6.754 2.814 1.00 0.00 C ATOM 406 O CYS A 28 -2.196 -7.814 3.375 1.00 0.00 O ATOM 407 CB CYS A 28 -3.223 -4.683 3.338 1.00 0.00 C ATOM 408 SG CYS A 28 -1.836 -3.503 3.416 1.00 0.00 S ATOM 0 H CYS A 28 -5.061 -6.176 2.664 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.720 -5.392 1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.133 -4.141 3.083 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.375 -5.114 4.327 1.00 0.00 H new ATOM 413 N ALA A 29 -0.672 -6.355 2.592 1.00 0.00 N ATOM 414 CA ALA A 29 0.471 -7.158 3.007 1.00 0.00 C ATOM 415 C ALA A 29 1.070 -6.629 4.306 1.00 0.00 C ATOM 416 O ALA A 29 2.070 -7.153 4.798 1.00 0.00 O ATOM 417 CB ALA A 29 1.525 -7.182 1.910 1.00 0.00 C ATOM 0 H ALA A 29 -0.427 -5.481 2.127 1.00 0.00 H new ATOM 0 HA ALA A 29 0.124 -8.176 3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.373 -7.785 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.098 -7.613 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.860 -6.165 1.705 1.00 0.00 H new ATOM 423 N ARG A 30 0.453 -5.589 4.857 1.00 0.00 N ATOM 424 CA ARG A 30 0.926 -4.989 6.099 1.00 0.00 C ATOM 425 C ARG A 30 -0.176 -4.981 7.154 1.00 0.00 C ATOM 426 O ARG A 30 0.081 -5.205 8.337 1.00 0.00 O ATOM 427 CB ARG A 30 1.416 -3.562 5.846 1.00 0.00 C ATOM 428 CG ARG A 30 2.407 -3.452 4.699 1.00 0.00 C ATOM 429 CD ARG A 30 3.811 -3.840 5.137 1.00 0.00 C ATOM 430 NE ARG A 30 4.004 -5.288 5.135 1.00 0.00 N ATOM 431 CZ ARG A 30 4.309 -5.987 4.047 1.00 0.00 C ATOM 432 NH1 ARG A 30 4.455 -5.374 2.880 1.00 0.00 N ATOM 433 NH2 ARG A 30 4.469 -7.302 4.125 1.00 0.00 N ATOM 0 H ARG A 30 -0.376 -5.144 4.463 1.00 0.00 H new ATOM 0 HA ARG A 30 1.756 -5.590 6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.558 -2.924 5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.881 -3.180 6.755 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.089 -4.096 3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.413 -2.431 4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.539 -3.376 4.472 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.999 -3.450 6.137 1.00 0.00 H new ATOM 0 HE ARG A 30 3.899 -5.790 6.017 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.333 -4.363 2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.689 -5.913 2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.358 -7.777 5.021 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.703 -7.838 3.289 1.00 0.00 H new ATOM 447 N CYS A 31 -1.404 -4.722 6.717 1.00 0.00 N ATOM 448 CA CYS A 31 -2.545 -4.683 7.623 1.00 0.00 C ATOM 449 C CYS A 31 -3.564 -5.759 7.260 1.00 0.00 C ATOM 450 O CYS A 31 -4.539 -5.972 7.980 1.00 0.00 O ATOM 451 CB CYS A 31 -3.208 -3.304 7.584 1.00 0.00 C ATOM 452 SG CYS A 31 -4.011 -2.910 5.997 1.00 0.00 S ATOM 0 H CYS A 31 -1.634 -4.536 5.741 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.182 -4.876 8.633 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.951 -3.247 8.379 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.455 -2.545 7.797 1.00 0.00 H new ATOM 457 N GLN A 32 -3.330 -6.434 6.139 1.00 0.00 N ATOM 458 CA GLN A 32 -4.228 -7.488 5.681 1.00 0.00 C ATOM 459 C GLN A 32 -5.679 -7.021 5.718 1.00 0.00 C ATOM 460 O GLN A 32 -6.545 -7.701 6.267 1.00 0.00 O ATOM 461 CB GLN A 32 -4.060 -8.740 6.542 1.00 0.00 C ATOM 462 CG GLN A 32 -2.736 -9.455 6.325 1.00 0.00 C ATOM 463 CD GLN A 32 -2.795 -10.461 5.192 1.00 0.00 C ATOM 464 OE1 GLN A 32 -3.838 -11.061 4.933 1.00 0.00 O ATOM 465 NE2 GLN A 32 -1.672 -10.650 4.509 1.00 0.00 N ATOM 0 H GLN A 32 -2.527 -6.270 5.532 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.969 -7.728 4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.145 -8.462 7.593 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.876 -9.430 6.327 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.961 -8.719 6.112 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.448 -9.965 7.244 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.830 -10.131 4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.651 -11.314 3.735 1.00 0.00 H new ATOM 474 N GLU A 33 -5.936 -5.856 5.131 1.00 0.00 N ATOM 475 CA GLU A 33 -7.283 -5.298 5.099 1.00 0.00 C ATOM 476 C GLU A 33 -8.043 -5.780 3.866 1.00 0.00 C ATOM 477 O GLU A 33 -7.467 -6.401 2.973 1.00 0.00 O ATOM 478 CB GLU A 33 -7.227 -3.769 5.112 1.00 0.00 C ATOM 479 CG GLU A 33 -6.765 -3.166 3.796 1.00 0.00 C ATOM 480 CD GLU A 33 -7.346 -1.787 3.551 1.00 0.00 C ATOM 481 OE1 GLU A 33 -7.208 -0.919 4.437 1.00 0.00 O ATOM 482 OE2 GLU A 33 -7.939 -1.577 2.471 1.00 0.00 O ATOM 0 H GLU A 33 -5.230 -5.281 4.672 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.812 -5.642 5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.216 -3.380 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.555 -3.445 5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.677 -3.104 3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.050 -3.827 2.978 1.00 0.00 H new ATOM 489 N SER A 34 -9.339 -5.489 3.826 1.00 0.00 N ATOM 490 CA SER A 34 -10.179 -5.896 2.705 1.00 0.00 C ATOM 491 C SER A 34 -9.975 -4.970 1.510 1.00 0.00 C ATOM 492 O SER A 34 -10.594 -3.909 1.419 1.00 0.00 O ATOM 493 CB SER A 34 -11.652 -5.897 3.119 1.00 0.00 C ATOM 494 OG SER A 34 -12.480 -6.329 2.053 1.00 0.00 O ATOM 0 H SER A 34 -9.830 -4.973 4.556 1.00 0.00 H new ATOM 0 HA SER A 34 -9.890 -6.906 2.413 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.791 -6.551 3.980 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.947 -4.895 3.430 1.00 0.00 H new ATOM 0 HG SER A 34 -13.416 -6.322 2.343 1.00 0.00 H new ATOM 500 N LEU A 35 -9.104 -5.380 0.594 1.00 0.00 N ATOM 501 CA LEU A 35 -8.818 -4.588 -0.597 1.00 0.00 C ATOM 502 C LEU A 35 -9.859 -4.842 -1.683 1.00 0.00 C ATOM 503 O LEU A 35 -9.541 -4.851 -2.872 1.00 0.00 O ATOM 504 CB LEU A 35 -7.421 -4.916 -1.128 1.00 0.00 C ATOM 505 CG LEU A 35 -6.267 -4.725 -0.143 1.00 0.00 C ATOM 506 CD1 LEU A 35 -5.034 -5.482 -0.611 1.00 0.00 C ATOM 507 CD2 LEU A 35 -5.953 -3.246 0.031 1.00 0.00 C ATOM 0 H LEU A 35 -8.584 -6.256 0.653 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.857 -3.534 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.416 -5.952 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.232 -4.295 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.570 -5.128 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.224 -5.334 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.265 -6.545 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.728 -5.111 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.129 -3.129 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.671 -2.818 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.833 -2.730 0.414 1.00 0.00 H new ATOM 519 N GLY A 36 -11.105 -5.045 -1.265 1.00 0.00 N ATOM 520 CA GLY A 36 -12.174 -5.294 -2.214 1.00 0.00 C ATOM 521 C GLY A 36 -12.378 -4.139 -3.174 1.00 0.00 C ATOM 522 O GLY A 36 -11.732 -4.070 -4.220 1.00 0.00 O ATOM 0 H GLY A 36 -11.393 -5.041 -0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.950 -6.198 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.101 -5.480 -1.672 1.00 0.00 H new ATOM 526 N ARG A 37 -13.279 -3.228 -2.819 1.00 0.00 N ATOM 527 CA ARG A 37 -13.568 -2.072 -3.658 1.00 0.00 C ATOM 528 C ARG A 37 -12.279 -1.435 -4.168 1.00 0.00 C ATOM 529 O ARG A 37 -12.181 -1.057 -5.337 1.00 0.00 O ATOM 530 CB ARG A 37 -14.385 -1.040 -2.877 1.00 0.00 C ATOM 531 CG ARG A 37 -15.877 -1.331 -2.861 1.00 0.00 C ATOM 532 CD ARG A 37 -16.561 -0.666 -1.676 1.00 0.00 C ATOM 533 NE ARG A 37 -15.982 -1.086 -0.403 1.00 0.00 N ATOM 534 CZ ARG A 37 -16.142 -2.300 0.112 1.00 0.00 C ATOM 535 NH1 ARG A 37 -16.860 -3.208 -0.533 1.00 0.00 N ATOM 536 NH2 ARG A 37 -15.583 -2.607 1.276 1.00 0.00 N ATOM 0 H ARG A 37 -13.821 -3.269 -1.956 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.149 -2.412 -4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -14.020 -1.001 -1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.220 -0.054 -3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.328 -0.978 -3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -16.038 -2.408 -2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.480 0.417 -1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.624 -0.908 -1.688 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.424 -0.410 0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.292 -2.976 -1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.981 -4.139 -0.135 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.030 -1.911 1.776 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.706 -3.539 1.671 1.00 0.00 H new ATOM 550 N LEU A 38 -11.293 -1.317 -3.286 1.00 0.00 N ATOM 551 CA LEU A 38 -10.010 -0.725 -3.647 1.00 0.00 C ATOM 552 C LEU A 38 -9.435 -1.389 -4.894 1.00 0.00 C ATOM 553 O LEU A 38 -9.945 -2.409 -5.357 1.00 0.00 O ATOM 554 CB LEU A 38 -9.022 -0.854 -2.486 1.00 0.00 C ATOM 555 CG LEU A 38 -9.114 0.223 -1.404 1.00 0.00 C ATOM 556 CD1 LEU A 38 -8.229 -0.134 -0.219 1.00 0.00 C ATOM 557 CD2 LEU A 38 -8.729 1.582 -1.969 1.00 0.00 C ATOM 0 H LEU A 38 -11.357 -1.624 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.173 0.331 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.169 -1.826 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.011 -0.847 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.146 0.275 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.307 0.644 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.551 -1.086 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.194 -0.215 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.800 2.336 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.706 1.544 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.404 1.842 -2.784 1.00 0.00 H new ATOM 569 N SER A 39 -8.370 -0.804 -5.432 1.00 0.00 N ATOM 570 CA SER A 39 -7.726 -1.338 -6.627 1.00 0.00 C ATOM 571 C SER A 39 -6.421 -2.044 -6.271 1.00 0.00 C ATOM 572 O SER A 39 -5.378 -1.419 -6.085 1.00 0.00 O ATOM 573 CB SER A 39 -7.455 -0.216 -7.630 1.00 0.00 C ATOM 574 OG SER A 39 -8.622 0.553 -7.864 1.00 0.00 O ATOM 0 H SER A 39 -7.935 0.040 -5.060 1.00 0.00 H new ATOM 0 HA SER A 39 -8.400 -2.065 -7.080 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.661 0.428 -7.253 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.102 -0.641 -8.569 1.00 0.00 H new ATOM 0 HG SER A 39 -8.421 1.265 -8.507 1.00 0.00 H new ATOM 580 N PRO A 40 -6.480 -3.381 -6.176 1.00 0.00 N ATOM 581 CA PRO A 40 -5.313 -4.203 -5.843 1.00 0.00 C ATOM 582 C PRO A 40 -4.284 -4.231 -6.968 1.00 0.00 C ATOM 583 O PRO A 40 -3.078 -4.247 -6.720 1.00 0.00 O ATOM 584 CB PRO A 40 -5.910 -5.596 -5.629 1.00 0.00 C ATOM 585 CG PRO A 40 -7.162 -5.600 -6.435 1.00 0.00 C ATOM 586 CD PRO A 40 -7.691 -4.193 -6.385 1.00 0.00 C ATOM 0 HA PRO A 40 -4.776 -3.817 -4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.224 -6.376 -5.960 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.117 -5.780 -4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.964 -5.906 -7.462 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.887 -6.304 -6.027 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.202 -3.923 -7.309 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.408 -4.062 -5.574 1.00 0.00 H new ATOM 594 N LYS A 41 -4.767 -4.237 -8.205 1.00 0.00 N ATOM 595 CA LYS A 41 -3.890 -4.261 -9.370 1.00 0.00 C ATOM 596 C LYS A 41 -2.869 -3.130 -9.305 1.00 0.00 C ATOM 597 O LYS A 41 -1.661 -3.365 -9.364 1.00 0.00 O ATOM 598 CB LYS A 41 -4.712 -4.148 -10.656 1.00 0.00 C ATOM 599 CG LYS A 41 -5.109 -5.490 -11.245 1.00 0.00 C ATOM 600 CD LYS A 41 -4.070 -5.994 -12.233 1.00 0.00 C ATOM 601 CE LYS A 41 -4.698 -6.877 -13.300 1.00 0.00 C ATOM 602 NZ LYS A 41 -5.110 -8.200 -12.754 1.00 0.00 N ATOM 0 H LYS A 41 -5.762 -4.226 -8.427 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.355 -5.211 -9.371 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.613 -3.570 -10.451 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.138 -3.592 -11.397 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.233 -6.218 -10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.073 -5.398 -11.745 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.575 -5.146 -12.706 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.302 -6.555 -11.701 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.567 -6.373 -13.724 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.987 -7.025 -14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.533 -8.772 -13.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.277 -8.693 -12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.807 -8.060 -11.995 1.00 0.00 H new ATOM 616 N THR A 42 -3.360 -1.901 -9.182 1.00 0.00 N ATOM 617 CA THR A 42 -2.491 -0.734 -9.109 1.00 0.00 C ATOM 618 C THR A 42 -1.891 -0.582 -7.716 1.00 0.00 C ATOM 619 O THR A 42 -0.834 0.026 -7.548 1.00 0.00 O ATOM 620 CB THR A 42 -3.250 0.556 -9.472 1.00 0.00 C ATOM 621 OG1 THR A 42 -4.372 0.727 -8.598 1.00 0.00 O ATOM 622 CG2 THR A 42 -3.728 0.515 -10.916 1.00 0.00 C ATOM 0 H THR A 42 -4.356 -1.688 -9.131 1.00 0.00 H new ATOM 0 HA THR A 42 -1.690 -0.891 -9.832 1.00 0.00 H new ATOM 0 HB THR A 42 -2.567 1.398 -9.355 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.848 1.550 -8.834 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.261 1.437 -11.149 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.870 0.414 -11.581 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.396 -0.335 -11.054 1.00 0.00 H new ATOM 630 N ASN A 43 -2.571 -1.139 -6.720 1.00 0.00 N ATOM 631 CA ASN A 43 -2.104 -1.065 -5.340 1.00 0.00 C ATOM 632 C ASN A 43 -0.975 -2.061 -5.094 1.00 0.00 C ATOM 633 O ASN A 43 -0.951 -2.750 -4.073 1.00 0.00 O ATOM 634 CB ASN A 43 -3.259 -1.336 -4.373 1.00 0.00 C ATOM 635 CG ASN A 43 -4.185 -0.144 -4.231 1.00 0.00 C ATOM 636 OD1 ASN A 43 -4.012 0.874 -4.900 1.00 0.00 O ATOM 637 ND2 ASN A 43 -5.176 -0.267 -3.354 1.00 0.00 N ATOM 0 H ASN A 43 -3.447 -1.647 -6.842 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.722 -0.059 -5.165 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.829 -2.196 -4.724 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.856 -1.599 -3.395 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.832 0.502 -3.214 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.281 -1.130 -2.821 1.00 0.00 H new ATOM 644 N THR A 44 -0.040 -2.132 -6.036 1.00 0.00 N ATOM 645 CA THR A 44 1.092 -3.043 -5.922 1.00 0.00 C ATOM 646 C THR A 44 2.378 -2.287 -5.612 1.00 0.00 C ATOM 647 O THR A 44 2.859 -1.498 -6.426 1.00 0.00 O ATOM 648 CB THR A 44 1.288 -3.859 -7.214 1.00 0.00 C ATOM 649 OG1 THR A 44 0.108 -4.618 -7.498 1.00 0.00 O ATOM 650 CG2 THR A 44 2.482 -4.794 -7.088 1.00 0.00 C ATOM 0 H THR A 44 -0.044 -1.569 -6.887 1.00 0.00 H new ATOM 0 HA THR A 44 0.868 -3.724 -5.101 1.00 0.00 H new ATOM 0 HB THR A 44 1.477 -3.163 -8.032 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.441 -4.137 -8.152 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.600 -5.360 -8.012 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.383 -4.210 -6.902 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.319 -5.483 -6.259 1.00 0.00 H new ATOM 658 N CYS A 45 2.932 -2.531 -4.429 1.00 0.00 N ATOM 659 CA CYS A 45 4.164 -1.874 -4.010 1.00 0.00 C ATOM 660 C CYS A 45 5.314 -2.221 -4.951 1.00 0.00 C ATOM 661 O CYS A 45 5.763 -3.366 -5.003 1.00 0.00 O ATOM 662 CB CYS A 45 4.522 -2.279 -2.579 1.00 0.00 C ATOM 663 SG CYS A 45 6.212 -1.819 -2.076 1.00 0.00 S ATOM 0 H CYS A 45 2.546 -3.180 -3.743 1.00 0.00 H new ATOM 0 HA CYS A 45 4.001 -0.797 -4.046 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.812 -1.816 -1.894 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.406 -3.358 -2.478 1.00 0.00 H new ATOM 668 N ARG A 46 5.785 -1.224 -5.694 1.00 0.00 N ATOM 669 CA ARG A 46 6.881 -1.424 -6.634 1.00 0.00 C ATOM 670 C ARG A 46 8.138 -1.901 -5.911 1.00 0.00 C ATOM 671 O ARG A 46 9.030 -2.491 -6.518 1.00 0.00 O ATOM 672 CB ARG A 46 7.176 -0.127 -7.390 1.00 0.00 C ATOM 673 CG ARG A 46 5.943 0.512 -8.006 1.00 0.00 C ATOM 674 CD ARG A 46 6.317 1.598 -9.002 1.00 0.00 C ATOM 675 NE ARG A 46 5.282 1.793 -10.014 1.00 0.00 N ATOM 676 CZ ARG A 46 4.206 2.550 -9.828 1.00 0.00 C ATOM 677 NH1 ARG A 46 4.025 3.179 -8.676 1.00 0.00 N ATOM 678 NH2 ARG A 46 3.309 2.678 -10.797 1.00 0.00 N ATOM 0 H ARG A 46 5.425 -0.270 -5.663 1.00 0.00 H new ATOM 0 HA ARG A 46 6.579 -2.192 -7.347 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.641 0.584 -6.707 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.901 -0.332 -8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.347 -0.252 -8.506 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.321 0.937 -7.219 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.485 2.535 -8.471 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.256 1.335 -9.490 1.00 0.00 H new ATOM 0 HE ARG A 46 5.391 1.322 -10.912 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.713 3.083 -7.929 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.198 3.759 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.445 2.195 -11.685 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.483 3.259 -10.654 1.00 0.00 H new ATOM 692 N GLY A 47 8.200 -1.640 -4.608 1.00 0.00 N ATOM 693 CA GLY A 47 9.351 -2.048 -3.824 1.00 0.00 C ATOM 694 C GLY A 47 9.481 -3.555 -3.728 1.00 0.00 C ATOM 695 O GLY A 47 10.449 -4.135 -4.221 1.00 0.00 O ATOM 0 H GLY A 47 7.474 -1.154 -4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.256 -1.636 -4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.271 -1.628 -2.821 1.00 0.00 H new ATOM 699 N CYS A 48 8.506 -4.192 -3.088 1.00 0.00 N ATOM 700 CA CYS A 48 8.516 -5.641 -2.926 1.00 0.00 C ATOM 701 C CYS A 48 7.456 -6.295 -3.807 1.00 0.00 C ATOM 702 O CYS A 48 7.107 -7.459 -3.617 1.00 0.00 O ATOM 703 CB CYS A 48 8.278 -6.013 -1.461 1.00 0.00 C ATOM 704 SG CYS A 48 6.800 -5.239 -0.729 1.00 0.00 S ATOM 0 H CYS A 48 7.699 -3.727 -2.673 1.00 0.00 H new ATOM 0 HA CYS A 48 9.495 -6.009 -3.233 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.184 -7.096 -1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.153 -5.726 -0.877 1.00 0.00 H new ATOM 709 N ASN A 49 6.947 -5.536 -4.773 1.00 0.00 N ATOM 710 CA ASN A 49 5.926 -6.041 -5.684 1.00 0.00 C ATOM 711 C ASN A 49 4.847 -6.804 -4.922 1.00 0.00 C ATOM 712 O ASN A 49 4.398 -7.866 -5.356 1.00 0.00 O ATOM 713 CB ASN A 49 6.559 -6.949 -6.740 1.00 0.00 C ATOM 714 CG ASN A 49 7.100 -6.169 -7.923 1.00 0.00 C ATOM 715 OD1 ASN A 49 6.341 -5.580 -8.692 1.00 0.00 O ATOM 716 ND2 ASN A 49 8.420 -6.162 -8.073 1.00 0.00 N ATOM 0 H ASN A 49 7.225 -4.570 -4.945 1.00 0.00 H new ATOM 0 HA ASN A 49 5.462 -5.188 -6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.367 -7.522 -6.286 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.817 -7.667 -7.090 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.842 -5.654 -8.850 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.011 -6.665 -7.411 1.00 0.00 H new ATOM 723 N HIS A 50 4.433 -6.255 -3.784 1.00 0.00 N ATOM 724 CA HIS A 50 3.405 -6.884 -2.962 1.00 0.00 C ATOM 725 C HIS A 50 2.078 -6.142 -3.090 1.00 0.00 C ATOM 726 O HIS A 50 1.949 -5.213 -3.889 1.00 0.00 O ATOM 727 CB HIS A 50 3.844 -6.918 -1.497 1.00 0.00 C ATOM 728 CG HIS A 50 4.697 -8.100 -1.155 1.00 0.00 C ATOM 729 ND1 HIS A 50 4.557 -9.330 -1.762 1.00 0.00 N ATOM 730 CD2 HIS A 50 5.706 -8.236 -0.263 1.00 0.00 C ATOM 731 CE1 HIS A 50 5.442 -10.171 -1.257 1.00 0.00 C ATOM 732 NE2 HIS A 50 6.152 -9.532 -0.346 1.00 0.00 N ATOM 0 H HIS A 50 4.793 -5.377 -3.411 1.00 0.00 H new ATOM 0 HA HIS A 50 3.266 -7.905 -3.316 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.395 -6.005 -1.270 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.959 -6.923 -0.861 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.089 -7.468 0.392 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.564 -11.206 -1.541 1.00 0.00 H new ATOM 0 HE2 HIS A 50 6.909 -9.935 0.206 1.00 0.00 H new ATOM 740 N LEU A 51 1.094 -6.559 -2.301 1.00 0.00 N ATOM 741 CA LEU A 51 -0.224 -5.935 -2.327 1.00 0.00 C ATOM 742 C LEU A 51 -0.491 -5.173 -1.033 1.00 0.00 C ATOM 743 O LEU A 51 -0.616 -5.770 0.036 1.00 0.00 O ATOM 744 CB LEU A 51 -1.307 -6.993 -2.542 1.00 0.00 C ATOM 745 CG LEU A 51 -2.748 -6.535 -2.315 1.00 0.00 C ATOM 746 CD1 LEU A 51 -3.135 -5.468 -3.327 1.00 0.00 C ATOM 747 CD2 LEU A 51 -3.702 -7.718 -2.394 1.00 0.00 C ATOM 0 H LEU A 51 1.184 -7.327 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.247 -5.227 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.223 -7.368 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.104 -7.832 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.818 -6.102 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.164 -5.154 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.471 -4.610 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.048 -5.874 -4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.723 -7.374 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.628 -8.180 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.439 -8.449 -1.630 1.00 0.00 H new ATOM 759 N VAL A 52 -0.581 -3.851 -1.138 1.00 0.00 N ATOM 760 CA VAL A 52 -0.837 -3.007 0.023 1.00 0.00 C ATOM 761 C VAL A 52 -1.876 -1.937 -0.294 1.00 0.00 C ATOM 762 O VAL A 52 -1.951 -1.443 -1.419 1.00 0.00 O ATOM 763 CB VAL A 52 0.453 -2.324 0.516 1.00 0.00 C ATOM 764 CG1 VAL A 52 1.187 -3.219 1.502 1.00 0.00 C ATOM 765 CG2 VAL A 52 1.348 -1.965 -0.660 1.00 0.00 C ATOM 0 H VAL A 52 -0.480 -3.341 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.218 -3.658 0.810 1.00 0.00 H new ATOM 0 HB VAL A 52 0.182 -1.402 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.096 -2.720 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.544 -3.421 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.448 -4.159 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.255 -1.483 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.613 -2.871 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.819 -1.283 -1.325 1.00 0.00 H new ATOM 775 N CYS A 53 -2.676 -1.584 0.706 1.00 0.00 N ATOM 776 CA CYS A 53 -3.712 -0.572 0.536 1.00 0.00 C ATOM 777 C CYS A 53 -3.096 0.798 0.269 1.00 0.00 C ATOM 778 O CYS A 53 -1.875 0.956 0.291 1.00 0.00 O ATOM 779 CB CYS A 53 -4.603 -0.510 1.779 1.00 0.00 C ATOM 780 SG CYS A 53 -3.736 0.027 3.288 1.00 0.00 S ATOM 0 H CYS A 53 -2.627 -1.984 1.643 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.320 -0.851 -0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.431 0.172 1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.036 -1.495 1.952 1.00 0.00 H new ATOM 785 N ARG A 54 -3.949 1.786 0.018 1.00 0.00 N ATOM 786 CA ARG A 54 -3.489 3.142 -0.254 1.00 0.00 C ATOM 787 C ARG A 54 -3.166 3.877 1.044 1.00 0.00 C ATOM 788 O ARG A 54 -2.960 5.091 1.047 1.00 0.00 O ATOM 789 CB ARG A 54 -4.550 3.915 -1.040 1.00 0.00 C ATOM 790 CG ARG A 54 -4.892 3.288 -2.381 1.00 0.00 C ATOM 791 CD ARG A 54 -6.008 4.045 -3.082 1.00 0.00 C ATOM 792 NE ARG A 54 -7.118 4.342 -2.181 1.00 0.00 N ATOM 793 CZ ARG A 54 -7.164 5.417 -1.401 1.00 0.00 C ATOM 794 NH1 ARG A 54 -6.169 6.292 -1.413 1.00 0.00 N ATOM 795 NH2 ARG A 54 -8.209 5.618 -0.608 1.00 0.00 N ATOM 0 H ARG A 54 -4.962 1.672 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.579 3.078 -0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.457 3.984 -0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.198 4.934 -1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.005 3.276 -3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.192 2.251 -2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.614 4.976 -3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.372 3.456 -3.924 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.901 3.689 -2.149 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.365 6.141 -2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.207 7.116 -0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.977 4.947 -0.597 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.244 6.443 -0.010 1.00 0.00 H new ATOM 809 N ASP A 55 -3.125 3.134 2.144 1.00 0.00 N ATOM 810 CA ASP A 55 -2.827 3.714 3.449 1.00 0.00 C ATOM 811 C ASP A 55 -1.463 3.251 3.950 1.00 0.00 C ATOM 812 O ASP A 55 -0.779 3.972 4.677 1.00 0.00 O ATOM 813 CB ASP A 55 -3.911 3.335 4.459 1.00 0.00 C ATOM 814 CG ASP A 55 -5.001 4.385 4.559 1.00 0.00 C ATOM 815 OD1 ASP A 55 -5.731 4.578 3.565 1.00 0.00 O ATOM 816 OD2 ASP A 55 -5.123 5.013 5.631 1.00 0.00 O ATOM 0 H ASP A 55 -3.294 2.128 2.159 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.806 4.798 3.341 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.354 2.382 4.172 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.456 3.193 5.439 1.00 0.00 H new ATOM 821 N CYS A 56 -1.073 2.042 3.559 1.00 0.00 N ATOM 822 CA CYS A 56 0.208 1.481 3.969 1.00 0.00 C ATOM 823 C CYS A 56 1.327 1.940 3.038 1.00 0.00 C ATOM 824 O CYS A 56 2.508 1.793 3.351 1.00 0.00 O ATOM 825 CB CYS A 56 0.138 -0.047 3.985 1.00 0.00 C ATOM 826 SG CYS A 56 -0.778 -0.735 5.401 1.00 0.00 S ATOM 0 H CYS A 56 -1.627 1.432 2.958 1.00 0.00 H new ATOM 0 HA CYS A 56 0.427 1.839 4.975 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.331 -0.388 3.062 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.152 -0.446 3.993 1.00 0.00 H new ATOM 831 N ARG A 57 0.945 2.498 1.894 1.00 0.00 N ATOM 832 CA ARG A 57 1.915 2.978 0.917 1.00 0.00 C ATOM 833 C ARG A 57 2.371 4.394 1.255 1.00 0.00 C ATOM 834 O ARG A 57 1.678 5.129 1.960 1.00 0.00 O ATOM 835 CB ARG A 57 1.313 2.946 -0.489 1.00 0.00 C ATOM 836 CG ARG A 57 0.085 3.829 -0.646 1.00 0.00 C ATOM 837 CD ARG A 57 -0.406 3.849 -2.085 1.00 0.00 C ATOM 838 NE ARG A 57 0.350 4.789 -2.908 1.00 0.00 N ATOM 839 CZ ARG A 57 -0.091 5.274 -4.063 1.00 0.00 C ATOM 840 NH1 ARG A 57 -1.278 4.909 -4.530 1.00 0.00 N ATOM 841 NH2 ARG A 57 0.655 6.126 -4.755 1.00 0.00 N ATOM 0 H ARG A 57 -0.029 2.629 1.621 1.00 0.00 H new ATOM 0 HA ARG A 57 2.782 2.318 0.948 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.071 3.261 -1.207 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.046 1.919 -0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.710 3.468 0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.322 4.844 -0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.325 2.848 -2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.462 4.118 -2.104 1.00 0.00 H new ATOM 0 HE ARG A 57 1.267 5.090 -2.578 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.855 4.254 -4.002 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.614 5.283 -5.417 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.568 6.409 -4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.315 6.498 -5.642 1.00 0.00 H new ATOM 855 N ILE A 58 3.540 4.771 0.747 1.00 0.00 N ATOM 856 CA ILE A 58 4.088 6.099 0.994 1.00 0.00 C ATOM 857 C ILE A 58 4.417 6.810 -0.314 1.00 0.00 C ATOM 858 O ILE A 58 5.373 6.453 -1.002 1.00 0.00 O ATOM 859 CB ILE A 58 5.358 6.031 1.863 1.00 0.00 C ATOM 860 CG1 ILE A 58 4.989 5.786 3.327 1.00 0.00 C ATOM 861 CG2 ILE A 58 6.165 7.313 1.721 1.00 0.00 C ATOM 862 CD1 ILE A 58 4.955 4.322 3.705 1.00 0.00 C ATOM 0 H ILE A 58 4.126 4.175 0.162 1.00 0.00 H new ATOM 0 HA ILE A 58 3.323 6.662 1.528 1.00 0.00 H new ATOM 0 HB ILE A 58 5.972 5.198 1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.707 6.301 3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.012 6.227 3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.059 7.250 2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.454 7.447 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.560 8.161 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.686 4.224 4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.216 3.805 3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.938 3.880 3.539 1.00 0.00 H new ATOM 874 N GLN A 59 3.619 7.819 -0.649 1.00 0.00 N ATOM 875 CA GLN A 59 3.827 8.582 -1.874 1.00 0.00 C ATOM 876 C GLN A 59 5.235 9.168 -1.919 1.00 0.00 C ATOM 877 O GLN A 59 5.527 10.155 -1.244 1.00 0.00 O ATOM 878 CB GLN A 59 2.791 9.702 -1.985 1.00 0.00 C ATOM 879 CG GLN A 59 1.524 9.288 -2.715 1.00 0.00 C ATOM 880 CD GLN A 59 1.639 9.443 -4.218 1.00 0.00 C ATOM 881 OE1 GLN A 59 1.117 10.397 -4.798 1.00 0.00 O ATOM 882 NE2 GLN A 59 2.326 8.505 -4.860 1.00 0.00 N ATOM 0 H GLN A 59 2.823 8.127 -0.090 1.00 0.00 H new ATOM 0 HA GLN A 59 3.709 7.903 -2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.528 10.043 -0.984 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.239 10.550 -2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.295 8.249 -2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.689 9.889 -2.355 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.742 7.732 -4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.438 8.558 -5.872 1.00 0.00 H new ATOM 891 N GLU A 60 6.102 8.553 -2.717 1.00 0.00 N ATOM 892 CA GLU A 60 7.479 9.015 -2.847 1.00 0.00 C ATOM 893 C GLU A 60 7.559 10.238 -3.756 1.00 0.00 C ATOM 894 O GLU A 60 6.707 10.438 -4.622 1.00 0.00 O ATOM 895 CB GLU A 60 8.365 7.896 -3.399 1.00 0.00 C ATOM 896 CG GLU A 60 8.508 6.712 -2.458 1.00 0.00 C ATOM 897 CD GLU A 60 9.838 6.000 -2.613 1.00 0.00 C ATOM 898 OE1 GLU A 60 10.839 6.484 -2.044 1.00 0.00 O ATOM 899 OE2 GLU A 60 9.878 4.961 -3.304 1.00 0.00 O ATOM 0 H GLU A 60 5.876 7.735 -3.282 1.00 0.00 H new ATOM 0 HA GLU A 60 7.836 9.297 -1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.950 7.549 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.354 8.300 -3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.402 7.056 -1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.699 6.006 -2.643 1.00 0.00 H new ATOM 906 N SER A 61 8.589 11.053 -3.552 1.00 0.00 N ATOM 907 CA SER A 61 8.779 12.259 -4.349 1.00 0.00 C ATOM 908 C SER A 61 8.400 12.012 -5.806 1.00 0.00 C ATOM 909 O SER A 61 7.515 12.672 -6.349 1.00 0.00 O ATOM 910 CB SER A 61 10.232 12.730 -4.261 1.00 0.00 C ATOM 911 OG SER A 61 10.487 13.369 -3.023 1.00 0.00 O ATOM 0 H SER A 61 9.305 10.900 -2.842 1.00 0.00 H new ATOM 0 HA SER A 61 8.128 13.036 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.901 11.878 -4.379 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.445 13.418 -5.079 1.00 0.00 H new ATOM 0 HG SER A 61 11.423 13.659 -2.991 1.00 0.00 H new ATOM 917 N ASN A 62 9.077 11.055 -6.433 1.00 0.00 N ATOM 918 CA ASN A 62 8.812 10.720 -7.828 1.00 0.00 C ATOM 919 C ASN A 62 7.450 10.049 -7.977 1.00 0.00 C ATOM 920 O ASN A 62 6.693 9.937 -7.014 1.00 0.00 O ATOM 921 CB ASN A 62 9.909 9.801 -8.370 1.00 0.00 C ATOM 922 CG ASN A 62 10.040 9.886 -9.879 1.00 0.00 C ATOM 923 OD1 ASN A 62 10.600 10.844 -10.411 1.00 0.00 O ATOM 924 ND2 ASN A 62 9.523 8.880 -10.575 1.00 0.00 N ATOM 0 H ASN A 62 9.813 10.498 -5.998 1.00 0.00 H new ATOM 0 HA ASN A 62 8.805 11.646 -8.404 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.861 10.065 -7.910 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.691 8.772 -8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.581 8.881 -11.593 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.068 8.106 -10.091 1.00 0.00 H new ATOM 931 N GLY A 63 7.146 9.605 -9.193 1.00 0.00 N ATOM 932 CA GLY A 63 5.876 8.950 -9.447 1.00 0.00 C ATOM 933 C GLY A 63 5.872 7.500 -9.004 1.00 0.00 C ATOM 934 O GLY A 63 5.460 6.615 -9.754 1.00 0.00 O ATOM 0 H GLY A 63 7.756 9.687 -10.006 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.083 9.488 -8.927 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.651 9.002 -10.512 1.00 0.00 H new ATOM 938 N THR A 64 6.335 7.255 -7.782 1.00 0.00 N ATOM 939 CA THR A 64 6.386 5.902 -7.242 1.00 0.00 C ATOM 940 C THR A 64 5.966 5.880 -5.776 1.00 0.00 C ATOM 941 O THR A 64 5.950 6.914 -5.110 1.00 0.00 O ATOM 942 CB THR A 64 7.798 5.300 -7.369 1.00 0.00 C ATOM 943 OG1 THR A 64 8.730 6.069 -6.601 1.00 0.00 O ATOM 944 CG2 THR A 64 8.241 5.262 -8.824 1.00 0.00 C ATOM 0 H THR A 64 6.680 7.976 -7.148 1.00 0.00 H new ATOM 0 HA THR A 64 5.689 5.301 -7.826 1.00 0.00 H new ATOM 0 HB THR A 64 7.769 4.279 -6.988 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.625 5.678 -6.686 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.241 4.833 -8.889 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.546 4.651 -9.400 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.254 6.275 -9.227 1.00 0.00 H new ATOM 952 N TRP A 65 5.629 4.694 -5.281 1.00 0.00 N ATOM 953 CA TRP A 65 5.210 4.538 -3.893 1.00 0.00 C ATOM 954 C TRP A 65 5.561 3.148 -3.372 1.00 0.00 C ATOM 955 O TRP A 65 5.614 2.184 -4.136 1.00 0.00 O ATOM 956 CB TRP A 65 3.705 4.779 -3.763 1.00 0.00 C ATOM 957 CG TRP A 65 2.874 3.704 -4.394 1.00 0.00 C ATOM 958 CD1 TRP A 65 2.215 3.772 -5.588 1.00 0.00 C ATOM 959 CD2 TRP A 65 2.612 2.400 -3.863 1.00 0.00 C ATOM 960 NE1 TRP A 65 1.559 2.590 -5.832 1.00 0.00 N ATOM 961 CE2 TRP A 65 1.787 1.731 -4.789 1.00 0.00 C ATOM 962 CE3 TRP A 65 2.995 1.732 -2.697 1.00 0.00 C ATOM 963 CZ2 TRP A 65 1.340 0.429 -4.582 1.00 0.00 C ATOM 964 CZ3 TRP A 65 2.550 0.440 -2.493 1.00 0.00 C ATOM 965 CH2 TRP A 65 1.730 -0.201 -3.431 1.00 0.00 C ATOM 0 H TRP A 65 5.638 3.828 -5.819 1.00 0.00 H new ATOM 0 HA TRP A 65 5.742 5.276 -3.293 1.00 0.00 H new ATOM 0 HB2 TRP A 65 3.447 4.855 -2.707 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.457 5.736 -4.222 1.00 0.00 H new ATOM 0 HD1 TRP A 65 2.210 4.630 -6.244 1.00 0.00 H new ATOM 0 HE1 TRP A 65 0.994 2.385 -6.656 1.00 0.00 H new ATOM 0 HE3 TRP A 65 3.628 2.217 -1.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.708 -0.067 -5.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.839 -0.085 -1.595 1.00 0.00 H new ATOM 0 HH2 TRP A 65 1.399 -1.212 -3.242 1.00 0.00 H new ATOM 976 N ARG A 66 5.800 3.053 -2.068 1.00 0.00 N ATOM 977 CA ARG A 66 6.147 1.781 -1.446 1.00 0.00 C ATOM 978 C ARG A 66 5.420 1.611 -0.115 1.00 0.00 C ATOM 979 O ARG A 66 4.883 2.570 0.439 1.00 0.00 O ATOM 980 CB ARG A 66 7.658 1.691 -1.229 1.00 0.00 C ATOM 981 CG ARG A 66 8.412 1.130 -2.424 1.00 0.00 C ATOM 982 CD ARG A 66 9.895 1.459 -2.351 1.00 0.00 C ATOM 983 NE ARG A 66 10.594 1.115 -3.587 1.00 0.00 N ATOM 984 CZ ARG A 66 11.910 0.958 -3.667 1.00 0.00 C ATOM 985 NH1 ARG A 66 12.667 1.111 -2.590 1.00 0.00 N ATOM 986 NH2 ARG A 66 12.472 0.645 -4.828 1.00 0.00 N ATOM 0 H ARG A 66 5.760 3.841 -1.422 1.00 0.00 H new ATOM 0 HA ARG A 66 5.835 0.980 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.044 2.685 -1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.855 1.065 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.280 0.049 -2.464 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.993 1.537 -3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.021 2.522 -2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.345 0.920 -1.518 1.00 0.00 H new ATOM 0 HE ARG A 66 10.041 0.989 -4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.239 1.350 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.678 0.990 -2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.893 0.525 -5.659 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.483 0.524 -4.889 1.00 0.00 H new ATOM 1000 N CYS A 67 5.407 0.383 0.393 1.00 0.00 N ATOM 1001 CA CYS A 67 4.747 0.085 1.658 1.00 0.00 C ATOM 1002 C CYS A 67 5.548 0.637 2.834 1.00 0.00 C ATOM 1003 O CYS A 67 6.749 0.884 2.720 1.00 0.00 O ATOM 1004 CB CYS A 67 4.561 -1.425 1.818 1.00 0.00 C ATOM 1005 SG CYS A 67 6.121 -2.367 1.844 1.00 0.00 S ATOM 0 H CYS A 67 5.847 -0.422 -0.053 1.00 0.00 H new ATOM 0 HA CYS A 67 3.769 0.566 1.650 1.00 0.00 H new ATOM 0 HB2 CYS A 67 4.017 -1.617 2.743 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.940 -1.793 1.001 1.00 0.00 H new ATOM 1010 N LYS A 68 4.875 0.829 3.963 1.00 0.00 N ATOM 1011 CA LYS A 68 5.522 1.350 5.161 1.00 0.00 C ATOM 1012 C LYS A 68 6.895 0.715 5.358 1.00 0.00 C ATOM 1013 O LYS A 68 7.891 1.412 5.552 1.00 0.00 O ATOM 1014 CB LYS A 68 4.649 1.093 6.391 1.00 0.00 C ATOM 1015 CG LYS A 68 3.222 1.590 6.239 1.00 0.00 C ATOM 1016 CD LYS A 68 3.177 3.090 5.996 1.00 0.00 C ATOM 1017 CE LYS A 68 1.937 3.717 6.612 1.00 0.00 C ATOM 1018 NZ LYS A 68 2.044 3.819 8.094 1.00 0.00 N ATOM 0 H LYS A 68 3.880 0.631 4.074 1.00 0.00 H new ATOM 0 HA LYS A 68 5.653 2.425 5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.632 0.023 6.597 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.103 1.577 7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.742 1.071 5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.654 1.349 7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.068 3.555 6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.191 3.287 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.785 4.710 6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.062 3.122 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.272 4.414 8.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.977 2.870 8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.958 4.245 8.348 1.00 0.00 H new ATOM 1032 N VAL A 69 6.941 -0.613 5.305 1.00 0.00 N ATOM 1033 CA VAL A 69 8.193 -1.341 5.475 1.00 0.00 C ATOM 1034 C VAL A 69 9.230 -0.899 4.449 1.00 0.00 C ATOM 1035 O VAL A 69 10.371 -0.591 4.796 1.00 0.00 O ATOM 1036 CB VAL A 69 7.978 -2.861 5.348 1.00 0.00 C ATOM 1037 CG1 VAL A 69 9.277 -3.608 5.612 1.00 0.00 C ATOM 1038 CG2 VAL A 69 6.885 -3.326 6.299 1.00 0.00 C ATOM 0 H VAL A 69 6.126 -1.206 5.146 1.00 0.00 H new ATOM 0 HA VAL A 69 8.558 -1.114 6.477 1.00 0.00 H new ATOM 0 HB VAL A 69 7.660 -3.081 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.106 -4.680 5.518 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.030 -3.296 4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.627 -3.384 6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.747 -4.402 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.172 -3.094 7.325 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.952 -2.816 6.059 1.00 0.00 H new ATOM 1048 N CYS A 70 8.827 -0.868 3.183 1.00 0.00 N ATOM 1049 CA CYS A 70 9.720 -0.463 2.105 1.00 0.00 C ATOM 1050 C CYS A 70 10.118 1.003 2.250 1.00 0.00 C ATOM 1051 O CYS A 70 11.253 1.317 2.607 1.00 0.00 O ATOM 1052 CB CYS A 70 9.051 -0.689 0.748 1.00 0.00 C ATOM 1053 SG CYS A 70 9.250 -2.378 0.093 1.00 0.00 S ATOM 0 H CYS A 70 7.886 -1.119 2.879 1.00 0.00 H new ATOM 0 HA CYS A 70 10.621 -1.074 2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 70 7.987 -0.469 0.838 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.463 0.019 0.029 1.00 0.00 H new ATOM 1058 N SER A 71 9.175 1.897 1.970 1.00 0.00 N ATOM 1059 CA SER A 71 9.427 3.330 2.066 1.00 0.00 C ATOM 1060 C SER A 71 9.950 3.698 3.451 1.00 0.00 C ATOM 1061 O SER A 71 10.812 4.565 3.592 1.00 0.00 O ATOM 1062 CB SER A 71 8.149 4.115 1.765 1.00 0.00 C ATOM 1063 OG SER A 71 8.065 4.445 0.390 1.00 0.00 O ATOM 0 H SER A 71 8.229 1.654 1.675 1.00 0.00 H new ATOM 0 HA SER A 71 10.187 3.591 1.329 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.279 3.525 2.054 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.129 5.026 2.363 1.00 0.00 H new ATOM 0 HG SER A 71 7.869 5.400 0.294 1.00 0.00 H new ATOM 1069 N GLY A 72 9.420 3.033 4.473 1.00 0.00 N ATOM 1070 CA GLY A 72 9.844 3.303 5.834 1.00 0.00 C ATOM 1071 C GLY A 72 11.333 3.564 5.937 1.00 0.00 C ATOM 1072 O GLY A 72 12.158 2.741 5.539 1.00 0.00 O ATOM 0 H GLY A 72 8.704 2.312 4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.300 4.167 6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.582 2.456 6.468 1.00 0.00 H new ATOM 1076 N PRO A 73 11.697 4.735 6.480 1.00 0.00 N ATOM 1077 CA PRO A 73 13.099 5.130 6.644 1.00 0.00 C ATOM 1078 C PRO A 73 13.813 4.304 7.708 1.00 0.00 C ATOM 1079 O PRO A 73 13.175 3.711 8.579 1.00 0.00 O ATOM 1080 CB PRO A 73 13.006 6.595 7.078 1.00 0.00 C ATOM 1081 CG PRO A 73 11.665 6.718 7.714 1.00 0.00 C ATOM 1082 CD PRO A 73 10.767 5.764 6.975 1.00 0.00 C ATOM 0 HA PRO A 73 13.675 4.977 5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.801 6.852 7.778 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.103 7.267 6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.711 6.468 8.774 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.292 7.740 7.643 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.008 5.338 7.630 1.00 0.00 H new ATOM 0 HD3 PRO A 73 10.242 6.258 6.157 1.00 0.00 H new ATOM 1090 N SER A 74 15.140 4.269 7.633 1.00 0.00 N ATOM 1091 CA SER A 74 15.940 3.511 8.588 1.00 0.00 C ATOM 1092 C SER A 74 15.242 2.210 8.971 1.00 0.00 C ATOM 1093 O SER A 74 15.206 1.834 10.142 1.00 0.00 O ATOM 1094 CB SER A 74 16.205 4.349 9.840 1.00 0.00 C ATOM 1095 OG SER A 74 17.045 5.452 9.548 1.00 0.00 O ATOM 0 H SER A 74 15.684 4.757 6.921 1.00 0.00 H new ATOM 0 HA SER A 74 16.891 3.266 8.115 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.260 4.706 10.249 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.669 3.727 10.606 1.00 0.00 H new ATOM 0 HG SER A 74 17.197 5.972 10.364 1.00 0.00 H new ATOM 1101 N SER A 75 14.687 1.528 7.974 1.00 0.00 N ATOM 1102 CA SER A 75 13.986 0.271 8.206 1.00 0.00 C ATOM 1103 C SER A 75 14.709 -0.888 7.526 1.00 0.00 C ATOM 1104 O SER A 75 14.081 -1.762 6.930 1.00 0.00 O ATOM 1105 CB SER A 75 12.548 0.362 7.691 1.00 0.00 C ATOM 1106 OG SER A 75 11.739 -0.657 8.253 1.00 0.00 O ATOM 0 H SER A 75 14.709 1.825 6.998 1.00 0.00 H new ATOM 0 HA SER A 75 13.969 0.086 9.280 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.131 1.339 7.937 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.542 0.278 6.604 1.00 0.00 H new ATOM 0 HG SER A 75 12.143 -1.532 8.074 1.00 0.00 H new ATOM 1112 N GLY A 76 16.035 -0.887 7.620 1.00 0.00 N ATOM 1113 CA GLY A 76 16.823 -1.942 7.010 1.00 0.00 C ATOM 1114 C GLY A 76 16.134 -3.290 7.073 1.00 0.00 C ATOM 1115 O GLY A 76 15.388 -3.538 8.019 1.00 0.00 O ATOM 0 H GLY A 76 16.578 -0.174 8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 76 17.022 -1.687 5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.788 -2.007 7.512 1.00 0.00 H new TER 1119 GLY A 76 HETATM 1120 ZN ZN A 201 -2.726 -1.660 4.521 1.00 0.00 ZN HETATM 1121 ZN ZN A 401 6.977 -2.984 -0.217 1.00 0.00 ZN