USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 519 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 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 171:sc= 0 (180deg=-0.0822) USER MOD Single : A 2 SER OG : rot 21:sc= 0.894 USER MOD Single : A 3 SER OG : rot 58:sc= 0.616 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.134 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-3.3!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 103:sc= 0.901 USER MOD Single : A 35 LYS NZ :NH3+ -119:sc=-0.00146 (180deg=-0.916) USER MOD Single : A 36 HIS : no HD1:sc= -0.136 K(o=-0.14,f=-0.83) USER MOD Single : A 39 ASN : amide:sc= -0.643 K(o=-0.64,f=-4.3!) USER MOD Single : A 40 MET CE :methyl -147:sc= -0.018 (180deg=-0.362) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.873 F(o=-1.8,f=-0.87) USER MOD Single : A 48 ASN : amide:sc= -0.06 X(o=-0.06,f=-0.069) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.746 USER MOD Single : A 54 TYR OH : rot -165:sc= 1.23 USER MOD Single : A 57 ASN : amide:sc= 0.554 K(o=0.55,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -159:sc=-0.00376 (180deg=-0.139) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.464 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -44:sc= 0.957 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.242 -1.090 20.594 1.00 0.00 N ATOM 2 CA GLY A 1 -37.219 -0.209 19.981 1.00 0.00 C ATOM 3 C GLY A 1 -36.642 0.582 18.825 1.00 0.00 C ATOM 4 O GLY A 1 -36.983 1.749 18.631 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.637 -1.492 21.468 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.006 -1.859 19.935 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.382 -0.551 20.820 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.064 -0.799 19.627 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -37.604 0.480 20.733 1.00 0.00 H new ATOM 8 N SER A 2 -35.764 -0.053 18.055 1.00 0.00 N ATOM 9 CA SER A 2 -35.134 0.602 16.914 1.00 0.00 C ATOM 10 C SER A 2 -35.238 -0.267 15.664 1.00 0.00 C ATOM 11 O SER A 2 -34.700 -1.373 15.617 1.00 0.00 O ATOM 12 CB SER A 2 -33.665 0.903 17.219 1.00 0.00 C ATOM 13 OG SER A 2 -32.895 -0.286 17.242 1.00 0.00 O ATOM 0 H SER A 2 -35.473 -1.020 18.200 1.00 0.00 H new ATOM 0 HA SER A 2 -35.659 1.539 16.729 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.266 1.584 16.467 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.586 1.410 18.181 1.00 0.00 H new ATOM 0 HG SER A 2 -33.367 -0.991 16.751 1.00 0.00 H new ATOM 19 N SER A 3 -35.934 0.243 14.653 1.00 0.00 N ATOM 20 CA SER A 3 -36.113 -0.487 13.403 1.00 0.00 C ATOM 21 C SER A 3 -35.551 0.306 12.227 1.00 0.00 C ATOM 22 O SER A 3 -36.255 0.578 11.255 1.00 0.00 O ATOM 23 CB SER A 3 -37.595 -0.786 13.170 1.00 0.00 C ATOM 24 OG SER A 3 -38.322 0.404 12.919 1.00 0.00 O ATOM 0 H SER A 3 -36.383 1.159 14.675 1.00 0.00 H new ATOM 0 HA SER A 3 -35.568 -1.428 13.478 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.703 -1.467 12.326 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.009 -1.291 14.043 1.00 0.00 H new ATOM 0 HG SER A 3 -37.938 0.865 12.144 1.00 0.00 H new ATOM 30 N GLY A 4 -34.277 0.673 12.323 1.00 0.00 N ATOM 31 CA GLY A 4 -33.641 1.431 11.261 1.00 0.00 C ATOM 32 C GLY A 4 -34.214 2.827 11.122 1.00 0.00 C ATOM 33 O GLY A 4 -35.356 2.998 10.696 1.00 0.00 O ATOM 0 H GLY A 4 -33.674 0.459 13.117 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.571 1.499 11.458 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.759 0.898 10.318 1.00 0.00 H new ATOM 37 N SER A 5 -33.419 3.830 11.484 1.00 0.00 N ATOM 38 CA SER A 5 -33.856 5.219 11.402 1.00 0.00 C ATOM 39 C SER A 5 -32.674 6.145 11.137 1.00 0.00 C ATOM 40 O SER A 5 -32.763 7.067 10.326 1.00 0.00 O ATOM 41 CB SER A 5 -34.561 5.630 12.697 1.00 0.00 C ATOM 42 OG SER A 5 -34.437 4.624 13.687 1.00 0.00 O ATOM 0 H SER A 5 -32.470 3.706 11.837 1.00 0.00 H new ATOM 0 HA SER A 5 -34.556 5.306 10.571 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.135 6.563 13.067 1.00 0.00 H new ATOM 0 HB3 SER A 5 -35.616 5.819 12.496 1.00 0.00 H new ATOM 0 HG SER A 5 -34.894 4.912 14.505 1.00 0.00 H new ATOM 48 N SER A 6 -31.566 5.893 11.828 1.00 0.00 N ATOM 49 CA SER A 6 -30.366 6.707 11.670 1.00 0.00 C ATOM 50 C SER A 6 -29.110 5.871 11.900 1.00 0.00 C ATOM 51 O SER A 6 -29.115 4.925 12.687 1.00 0.00 O ATOM 52 CB SER A 6 -30.392 7.886 12.644 1.00 0.00 C ATOM 53 OG SER A 6 -31.722 8.234 12.988 1.00 0.00 O ATOM 0 H SER A 6 -31.475 5.133 12.502 1.00 0.00 H new ATOM 0 HA SER A 6 -30.347 7.089 10.649 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.835 7.630 13.545 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.893 8.744 12.194 1.00 0.00 H new ATOM 0 HG SER A 6 -31.711 8.989 13.613 1.00 0.00 H new ATOM 59 N GLY A 7 -28.034 6.229 11.206 1.00 0.00 N ATOM 60 CA GLY A 7 -26.785 5.503 11.347 1.00 0.00 C ATOM 61 C GLY A 7 -25.713 6.322 12.039 1.00 0.00 C ATOM 62 O GLY A 7 -25.868 7.529 12.224 1.00 0.00 O ATOM 0 H GLY A 7 -28.005 7.009 10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.962 4.589 11.914 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.429 5.203 10.361 1.00 0.00 H new ATOM 66 N ARG A 8 -24.625 5.664 12.425 1.00 0.00 N ATOM 67 CA ARG A 8 -23.525 6.338 13.105 1.00 0.00 C ATOM 68 C ARG A 8 -22.963 7.464 12.243 1.00 0.00 C ATOM 69 O ARG A 8 -23.241 7.542 11.047 1.00 0.00 O ATOM 70 CB ARG A 8 -22.418 5.338 13.443 1.00 0.00 C ATOM 71 CG ARG A 8 -22.644 4.598 14.751 1.00 0.00 C ATOM 72 CD ARG A 8 -23.104 3.169 14.510 1.00 0.00 C ATOM 73 NE ARG A 8 -23.779 2.606 15.676 1.00 0.00 N ATOM 74 CZ ARG A 8 -23.138 2.153 16.748 1.00 0.00 C ATOM 75 NH1 ARG A 8 -21.814 2.196 16.801 1.00 0.00 N ATOM 76 NH2 ARG A 8 -23.822 1.656 17.771 1.00 0.00 N ATOM 0 H ARG A 8 -24.481 4.665 12.279 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.910 6.769 14.029 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -22.337 4.612 12.634 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -21.466 5.866 13.494 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -21.721 4.591 15.331 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -23.390 5.126 15.345 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -23.779 3.145 13.654 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -22.244 2.550 14.255 1.00 0.00 H new ATOM 0 HE ARG A 8 -24.798 2.558 15.667 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -21.284 2.578 16.017 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.325 1.847 17.625 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -24.841 1.622 17.735 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -23.329 1.308 18.593 1.00 0.00 H new ATOM 90 N ASN A 9 -22.171 8.335 12.859 1.00 0.00 N ATOM 91 CA ASN A 9 -21.570 9.458 12.149 1.00 0.00 C ATOM 92 C ASN A 9 -20.102 9.621 12.531 1.00 0.00 C ATOM 93 O ASN A 9 -19.769 9.764 13.708 1.00 0.00 O ATOM 94 CB ASN A 9 -22.334 10.748 12.453 1.00 0.00 C ATOM 95 CG ASN A 9 -23.087 11.272 11.245 1.00 0.00 C ATOM 96 OD1 ASN A 9 -24.307 11.133 11.153 1.00 0.00 O ATOM 97 ND2 ASN A 9 -22.362 11.877 10.312 1.00 0.00 N ATOM 0 H ASN A 9 -21.930 8.285 13.849 1.00 0.00 H new ATOM 0 HA ASN A 9 -21.628 9.252 11.080 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -23.037 10.568 13.266 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -21.634 11.508 12.800 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -22.814 12.249 9.477 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.353 11.970 10.430 1.00 0.00 H new ATOM 104 N ASP A 10 -19.229 9.599 11.530 1.00 0.00 N ATOM 105 CA ASP A 10 -17.797 9.747 11.760 1.00 0.00 C ATOM 106 C ASP A 10 -17.085 10.195 10.487 1.00 0.00 C ATOM 107 O ASP A 10 -17.169 9.536 9.451 1.00 0.00 O ATOM 108 CB ASP A 10 -17.200 8.428 12.256 1.00 0.00 C ATOM 109 CG ASP A 10 -17.731 7.230 11.494 1.00 0.00 C ATOM 110 OD1 ASP A 10 -18.884 6.824 11.753 1.00 0.00 O ATOM 111 OD2 ASP A 10 -16.994 6.698 10.637 1.00 0.00 O ATOM 0 H ASP A 10 -19.488 9.480 10.551 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.654 10.512 12.523 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.115 8.465 12.160 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.422 8.308 13.316 1.00 0.00 H new ATOM 116 N THR A 11 -16.384 11.321 10.573 1.00 0.00 N ATOM 117 CA THR A 11 -15.660 11.859 9.428 1.00 0.00 C ATOM 118 C THR A 11 -14.227 12.218 9.804 1.00 0.00 C ATOM 119 O THR A 11 -13.965 12.688 10.910 1.00 0.00 O ATOM 120 CB THR A 11 -16.357 13.109 8.859 1.00 0.00 C ATOM 121 OG1 THR A 11 -16.998 13.836 9.913 1.00 0.00 O ATOM 122 CG2 THR A 11 -17.384 12.723 7.805 1.00 0.00 C ATOM 0 H THR A 11 -16.302 11.878 11.424 1.00 0.00 H new ATOM 0 HA THR A 11 -15.649 11.080 8.666 1.00 0.00 H new ATOM 0 HB THR A 11 -15.600 13.739 8.393 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.437 14.630 9.543 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.863 13.622 7.418 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.888 12.196 6.990 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.137 12.074 8.252 1.00 0.00 H new ATOM 130 N GLU A 12 -13.302 11.993 8.875 1.00 0.00 N ATOM 131 CA GLU A 12 -11.895 12.293 9.111 1.00 0.00 C ATOM 132 C GLU A 12 -11.344 11.451 10.257 1.00 0.00 C ATOM 133 O GLU A 12 -12.071 10.676 10.879 1.00 0.00 O ATOM 134 CB GLU A 12 -11.713 13.780 9.422 1.00 0.00 C ATOM 135 CG GLU A 12 -10.950 14.538 8.349 1.00 0.00 C ATOM 136 CD GLU A 12 -11.554 14.362 6.969 1.00 0.00 C ATOM 137 OE1 GLU A 12 -11.230 13.357 6.303 1.00 0.00 O ATOM 138 OE2 GLU A 12 -12.351 15.230 6.557 1.00 0.00 O ATOM 0 H GLU A 12 -13.502 11.604 7.953 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.341 12.048 8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.694 14.238 9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.186 13.882 10.371 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.933 15.598 8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.915 14.197 8.335 1.00 0.00 H new ATOM 145 N CYS A 13 -10.053 11.607 10.531 1.00 0.00 N ATOM 146 CA CYS A 13 -9.402 10.862 11.601 1.00 0.00 C ATOM 147 C CYS A 13 -9.471 11.628 12.919 1.00 0.00 C ATOM 148 O CYS A 13 -9.060 12.786 12.998 1.00 0.00 O ATOM 149 CB CYS A 13 -7.942 10.579 11.239 1.00 0.00 C ATOM 150 SG CYS A 13 -7.146 9.321 12.289 1.00 0.00 S ATOM 0 H CYS A 13 -9.437 12.244 10.026 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.930 9.916 11.723 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.893 10.253 10.200 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.375 11.507 11.309 1.00 0.00 H new ATOM 155 N ASP A 14 -9.993 10.974 13.950 1.00 0.00 N ATOM 156 CA ASP A 14 -10.116 11.593 15.265 1.00 0.00 C ATOM 157 C ASP A 14 -8.891 11.292 16.123 1.00 0.00 C ATOM 158 O ASP A 14 -8.545 12.060 17.022 1.00 0.00 O ATOM 159 CB ASP A 14 -11.381 11.099 15.969 1.00 0.00 C ATOM 160 CG ASP A 14 -12.630 11.323 15.140 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.559 12.091 14.157 1.00 0.00 O ATOM 162 OD2 ASP A 14 -13.678 10.733 15.474 1.00 0.00 O ATOM 0 H ASP A 14 -10.338 10.015 13.901 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.185 12.672 15.127 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.280 10.036 16.188 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.486 11.613 16.925 1.00 0.00 H new ATOM 167 N LEU A 15 -8.238 10.170 15.841 1.00 0.00 N ATOM 168 CA LEU A 15 -7.052 9.766 16.588 1.00 0.00 C ATOM 169 C LEU A 15 -6.017 10.886 16.612 1.00 0.00 C ATOM 170 O LEU A 15 -5.288 11.052 17.591 1.00 0.00 O ATOM 171 CB LEU A 15 -6.442 8.506 15.973 1.00 0.00 C ATOM 172 CG LEU A 15 -7.198 7.201 16.227 1.00 0.00 C ATOM 173 CD1 LEU A 15 -8.359 7.059 15.256 1.00 0.00 C ATOM 174 CD2 LEU A 15 -6.258 6.010 16.116 1.00 0.00 C ATOM 0 H LEU A 15 -8.510 9.524 15.100 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.354 9.552 17.613 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.363 8.653 14.896 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.427 8.395 16.354 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.600 7.228 17.240 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.885 6.125 15.452 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.045 7.896 15.385 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.980 7.055 14.234 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.813 5.090 16.300 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.826 5.980 15.116 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.461 6.106 16.853 1.00 0.00 H new ATOM 186 N CYS A 16 -5.959 11.655 15.530 1.00 0.00 N ATOM 187 CA CYS A 16 -5.015 12.761 15.426 1.00 0.00 C ATOM 188 C CYS A 16 -5.741 14.069 15.127 1.00 0.00 C ATOM 189 O CYS A 16 -5.378 15.125 15.645 1.00 0.00 O ATOM 190 CB CYS A 16 -3.982 12.477 14.333 1.00 0.00 C ATOM 191 SG CYS A 16 -4.707 12.023 12.725 1.00 0.00 S ATOM 0 H CYS A 16 -6.556 11.532 14.712 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.503 12.860 16.383 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.356 13.360 14.201 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.329 11.670 14.666 1.00 0.00 H new ATOM 196 N GLY A 17 -6.769 13.991 14.288 1.00 0.00 N ATOM 197 CA GLY A 17 -7.530 15.175 13.935 1.00 0.00 C ATOM 198 C GLY A 17 -7.342 15.574 12.484 1.00 0.00 C ATOM 199 O GLY A 17 -8.189 16.252 11.905 1.00 0.00 O ATOM 0 H GLY A 17 -7.088 13.129 13.846 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.588 14.993 14.124 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.229 16.002 14.578 1.00 0.00 H new ATOM 203 N GLY A 18 -6.227 15.152 11.896 1.00 0.00 N ATOM 204 CA GLY A 18 -5.950 15.480 10.509 1.00 0.00 C ATOM 205 C GLY A 18 -4.806 16.463 10.363 1.00 0.00 C ATOM 206 O GLY A 18 -4.984 17.558 9.829 1.00 0.00 O ATOM 0 H GLY A 18 -5.511 14.589 12.355 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.712 14.567 9.964 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.846 15.900 10.052 1.00 0.00 H new ATOM 210 N ASP A 19 -3.629 16.073 10.841 1.00 0.00 N ATOM 211 CA ASP A 19 -2.451 16.929 10.762 1.00 0.00 C ATOM 212 C ASP A 19 -1.172 16.099 10.827 1.00 0.00 C ATOM 213 O ASP A 19 -1.147 14.994 11.367 1.00 0.00 O ATOM 214 CB ASP A 19 -2.464 17.958 11.893 1.00 0.00 C ATOM 215 CG ASP A 19 -2.895 19.332 11.420 1.00 0.00 C ATOM 216 OD1 ASP A 19 -2.054 20.052 10.842 1.00 0.00 O ATOM 217 OD2 ASP A 19 -4.074 19.688 11.629 1.00 0.00 O ATOM 0 H ASP A 19 -3.466 15.170 11.287 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.476 17.452 9.806 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.138 17.620 12.680 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.469 18.024 12.332 1.00 0.00 H new ATOM 222 N PRO A 20 -0.084 16.644 10.262 1.00 0.00 N ATOM 223 CA PRO A 20 1.218 15.971 10.243 1.00 0.00 C ATOM 224 C PRO A 20 1.853 15.897 11.627 1.00 0.00 C ATOM 225 O PRO A 20 2.320 14.840 12.049 1.00 0.00 O ATOM 226 CB PRO A 20 2.059 16.853 9.315 1.00 0.00 C ATOM 227 CG PRO A 20 1.430 18.200 9.400 1.00 0.00 C ATOM 228 CD PRO A 20 -0.041 17.959 9.600 1.00 0.00 C ATOM 0 HA PRO A 20 1.137 14.936 9.912 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.101 16.882 9.633 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.048 16.475 8.293 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.847 18.774 10.227 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.611 18.773 8.491 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.495 18.735 10.217 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.579 17.950 8.652 1.00 0.00 H new ATOM 236 N GLU A 21 1.867 17.027 12.328 1.00 0.00 N ATOM 237 CA GLU A 21 2.446 17.088 13.665 1.00 0.00 C ATOM 238 C GLU A 21 1.810 16.047 14.582 1.00 0.00 C ATOM 239 O GLU A 21 2.501 15.218 15.173 1.00 0.00 O ATOM 240 CB GLU A 21 2.265 18.486 14.260 1.00 0.00 C ATOM 241 CG GLU A 21 2.837 19.595 13.393 1.00 0.00 C ATOM 242 CD GLU A 21 1.767 20.527 12.856 1.00 0.00 C ATOM 243 OE1 GLU A 21 0.760 20.024 12.315 1.00 0.00 O ATOM 244 OE2 GLU A 21 1.937 21.758 12.978 1.00 0.00 O ATOM 0 H GLU A 21 1.485 17.911 11.993 1.00 0.00 H new ATOM 0 HA GLU A 21 3.511 16.871 13.582 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.202 18.670 14.417 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.742 18.519 15.240 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.557 20.171 13.975 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.382 19.154 12.558 1.00 0.00 H new ATOM 251 N LYS A 22 0.487 16.097 14.695 1.00 0.00 N ATOM 252 CA LYS A 22 -0.245 15.159 15.538 1.00 0.00 C ATOM 253 C LYS A 22 0.132 13.719 15.205 1.00 0.00 C ATOM 254 O LYS A 22 -0.302 13.172 14.191 1.00 0.00 O ATOM 255 CB LYS A 22 -1.753 15.356 15.365 1.00 0.00 C ATOM 256 CG LYS A 22 -2.208 16.789 15.579 1.00 0.00 C ATOM 257 CD LYS A 22 -3.045 16.927 16.840 1.00 0.00 C ATOM 258 CE LYS A 22 -2.172 17.129 18.069 1.00 0.00 C ATOM 259 NZ LYS A 22 -2.615 18.299 18.877 1.00 0.00 N ATOM 0 H LYS A 22 -0.100 16.778 14.213 1.00 0.00 H new ATOM 0 HA LYS A 22 0.024 15.355 16.576 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.040 15.039 14.362 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.278 14.708 16.067 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.338 17.442 15.646 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.789 17.120 14.718 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.727 17.770 16.735 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.658 16.035 16.970 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.199 16.231 18.686 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.137 17.272 17.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.995 18.403 19.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.565 19.161 18.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.594 18.151 19.194 1.00 0.00 H new ATOM 273 N LYS A 23 0.940 13.110 16.065 1.00 0.00 N ATOM 274 CA LYS A 23 1.374 11.732 15.865 1.00 0.00 C ATOM 275 C LYS A 23 0.191 10.772 15.947 1.00 0.00 C ATOM 276 O LYS A 23 -0.541 10.755 16.937 1.00 0.00 O ATOM 277 CB LYS A 23 2.427 11.350 16.907 1.00 0.00 C ATOM 278 CG LYS A 23 3.378 10.261 16.440 1.00 0.00 C ATOM 279 CD LYS A 23 4.076 9.591 17.611 1.00 0.00 C ATOM 280 CE LYS A 23 3.239 8.459 18.187 1.00 0.00 C ATOM 281 NZ LYS A 23 3.363 8.375 19.668 1.00 0.00 N ATOM 0 H LYS A 23 1.308 13.549 16.909 1.00 0.00 H new ATOM 0 HA LYS A 23 1.813 11.657 14.870 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.004 12.236 17.170 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.924 11.017 17.815 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.826 9.515 15.869 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.122 10.690 15.769 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.041 9.202 17.286 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.275 10.329 18.388 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.193 8.608 17.918 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.551 7.514 17.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.778 7.591 20.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.357 8.208 19.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.041 9.267 20.094 1.00 0.00 H new ATOM 295 N CYS A 24 0.010 9.973 14.901 1.00 0.00 N ATOM 296 CA CYS A 24 -1.083 9.009 14.854 1.00 0.00 C ATOM 297 C CYS A 24 -0.550 7.591 14.669 1.00 0.00 C ATOM 298 O CYS A 24 0.504 7.386 14.066 1.00 0.00 O ATOM 299 CB CYS A 24 -2.048 9.355 13.719 1.00 0.00 C ATOM 300 SG CYS A 24 -3.725 8.678 13.936 1.00 0.00 S ATOM 0 H CYS A 24 0.607 9.974 14.074 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.617 9.057 15.803 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.114 10.439 13.631 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.636 8.983 12.781 1.00 0.00 H new ATOM 305 N HIS A 25 -1.285 6.615 15.193 1.00 0.00 N ATOM 306 CA HIS A 25 -0.888 5.216 15.085 1.00 0.00 C ATOM 307 C HIS A 25 -1.521 4.564 13.860 1.00 0.00 C ATOM 308 O HIS A 25 -0.990 3.597 13.315 1.00 0.00 O ATOM 309 CB HIS A 25 -1.287 4.452 16.348 1.00 0.00 C ATOM 310 CG HIS A 25 -0.136 4.160 17.260 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.037 3.577 16.830 1.00 0.00 N ATOM 312 CD2 HIS A 25 0.019 4.377 18.587 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.862 3.446 17.853 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.269 3.924 18.931 1.00 0.00 N ATOM 0 H HIS A 25 -2.159 6.768 15.697 1.00 0.00 H new ATOM 0 HA HIS A 25 0.196 5.179 14.974 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.033 5.031 16.892 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.759 3.513 16.061 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.706 4.823 19.252 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.854 3.020 17.814 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.673 3.952 19.867 1.00 0.00 H new ATOM 322 N SER A 26 -2.660 5.100 13.433 1.00 0.00 N ATOM 323 CA SER A 26 -3.369 4.567 12.275 1.00 0.00 C ATOM 324 C SER A 26 -2.831 5.174 10.982 1.00 0.00 C ATOM 325 O SER A 26 -2.388 4.457 10.084 1.00 0.00 O ATOM 326 CB SER A 26 -4.869 4.845 12.396 1.00 0.00 C ATOM 327 OG SER A 26 -5.551 4.488 11.206 1.00 0.00 O ATOM 0 H SER A 26 -3.112 5.903 13.871 1.00 0.00 H new ATOM 0 HA SER A 26 -3.207 3.489 12.246 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.279 4.285 13.236 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.030 5.902 12.608 1.00 0.00 H new ATOM 0 HG SER A 26 -6.508 4.674 11.309 1.00 0.00 H new ATOM 333 N CYS A 27 -2.872 6.499 10.896 1.00 0.00 N ATOM 334 CA CYS A 27 -2.390 7.204 9.715 1.00 0.00 C ATOM 335 C CYS A 27 -0.954 6.804 9.391 1.00 0.00 C ATOM 336 O CYS A 27 -0.529 6.856 8.236 1.00 0.00 O ATOM 337 CB CYS A 27 -2.473 8.717 9.929 1.00 0.00 C ATOM 338 SG CYS A 27 -4.167 9.342 10.170 1.00 0.00 S ATOM 0 H CYS A 27 -3.234 7.106 11.631 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.025 6.927 8.873 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.872 8.984 10.798 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.031 9.220 9.069 1.00 0.00 H new ATOM 343 N SER A 28 -0.211 6.403 10.417 1.00 0.00 N ATOM 344 CA SER A 28 1.179 5.997 10.243 1.00 0.00 C ATOM 345 C SER A 28 1.415 4.606 10.823 1.00 0.00 C ATOM 346 O SER A 28 0.471 3.903 11.185 1.00 0.00 O ATOM 347 CB SER A 28 2.115 7.006 10.910 1.00 0.00 C ATOM 348 OG SER A 28 2.279 6.716 12.288 1.00 0.00 O ATOM 0 H SER A 28 -0.548 6.350 11.378 1.00 0.00 H new ATOM 0 HA SER A 28 1.392 5.967 9.174 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.085 6.990 10.414 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.713 8.012 10.792 1.00 0.00 H new ATOM 0 HG SER A 28 3.151 6.292 12.432 1.00 0.00 H new ATOM 354 N CYS A 29 2.682 4.215 10.909 1.00 0.00 N ATOM 355 CA CYS A 29 3.045 2.908 11.445 1.00 0.00 C ATOM 356 C CYS A 29 2.421 2.692 12.820 1.00 0.00 C ATOM 357 O CYS A 29 2.575 3.518 13.720 1.00 0.00 O ATOM 358 CB CYS A 29 4.567 2.776 11.536 1.00 0.00 C ATOM 359 SG CYS A 29 5.149 1.077 11.838 1.00 0.00 S ATOM 0 H CYS A 29 3.475 4.785 10.614 1.00 0.00 H new ATOM 0 HA CYS A 29 2.661 2.145 10.768 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.009 3.140 10.609 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.930 3.421 12.337 1.00 0.00 H new ATOM 364 N ARG A 30 1.717 1.575 12.976 1.00 0.00 N ATOM 365 CA ARG A 30 1.069 1.250 14.241 1.00 0.00 C ATOM 366 C ARG A 30 1.969 0.367 15.101 1.00 0.00 C ATOM 367 O ARG A 30 1.784 0.270 16.314 1.00 0.00 O ATOM 368 CB ARG A 30 -0.265 0.545 13.988 1.00 0.00 C ATOM 369 CG ARG A 30 -1.335 0.881 15.015 1.00 0.00 C ATOM 370 CD ARG A 30 -2.620 1.345 14.348 1.00 0.00 C ATOM 371 NE ARG A 30 -3.803 0.763 14.976 1.00 0.00 N ATOM 372 CZ ARG A 30 -5.003 0.744 14.407 1.00 0.00 C ATOM 373 NH1 ARG A 30 -5.178 1.271 13.203 1.00 0.00 N ATOM 374 NH2 ARG A 30 -6.032 0.197 15.042 1.00 0.00 N ATOM 0 H ARG A 30 1.581 0.880 12.242 1.00 0.00 H new ATOM 0 HA ARG A 30 0.884 2.181 14.776 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.627 0.816 12.996 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.102 -0.533 13.985 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.539 0.004 15.630 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.968 1.661 15.683 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.682 2.432 14.396 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.599 1.074 13.293 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.702 0.348 15.902 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.390 1.692 12.711 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.101 1.255 12.768 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.902 -0.210 15.968 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.953 0.183 14.604 1.00 0.00 H new ATOM 388 N VAL A 31 2.942 -0.275 14.464 1.00 0.00 N ATOM 389 CA VAL A 31 3.871 -1.150 15.171 1.00 0.00 C ATOM 390 C VAL A 31 4.809 -0.347 16.066 1.00 0.00 C ATOM 391 O VAL A 31 4.671 -0.351 17.289 1.00 0.00 O ATOM 392 CB VAL A 31 4.710 -1.989 14.188 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.705 -2.857 14.943 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.806 -2.840 13.309 1.00 0.00 C ATOM 0 H VAL A 31 3.108 -0.206 13.460 1.00 0.00 H new ATOM 0 HA VAL A 31 3.270 -1.819 15.787 1.00 0.00 H new ATOM 0 HB VAL A 31 5.271 -1.311 13.544 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.289 -3.443 14.233 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.373 -2.222 15.526 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.167 -3.529 15.612 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.415 -3.426 12.621 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.217 -3.511 13.934 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.137 -2.193 12.741 1.00 0.00 H new ATOM 404 N CYS A 32 5.763 0.341 15.448 1.00 0.00 N ATOM 405 CA CYS A 32 6.725 1.149 16.187 1.00 0.00 C ATOM 406 C CYS A 32 6.112 2.486 16.595 1.00 0.00 C ATOM 407 O CYS A 32 6.534 3.102 17.572 1.00 0.00 O ATOM 408 CB CYS A 32 7.979 1.386 15.343 1.00 0.00 C ATOM 409 SG CYS A 32 7.734 2.539 13.955 1.00 0.00 S ATOM 0 H CYS A 32 5.890 0.355 14.436 1.00 0.00 H new ATOM 0 HA CYS A 32 7.001 0.605 17.090 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.770 1.772 15.987 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.326 0.430 14.950 1.00 0.00 H new ATOM 414 N GLY A 33 5.114 2.929 15.837 1.00 0.00 N ATOM 415 CA GLY A 33 4.459 4.190 16.135 1.00 0.00 C ATOM 416 C GLY A 33 5.192 5.377 15.542 1.00 0.00 C ATOM 417 O GLY A 33 5.265 6.440 16.158 1.00 0.00 O ATOM 0 H GLY A 33 4.747 2.438 15.022 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.440 4.167 15.750 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.389 4.313 17.216 1.00 0.00 H new ATOM 421 N GLY A 34 5.737 5.197 14.343 1.00 0.00 N ATOM 422 CA GLY A 34 6.462 6.270 13.689 1.00 0.00 C ATOM 423 C GLY A 34 5.647 6.941 12.601 1.00 0.00 C ATOM 424 O GLY A 34 4.823 6.301 11.947 1.00 0.00 O ATOM 0 H GLY A 34 5.689 4.327 13.813 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.753 7.013 14.431 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.381 5.873 13.258 1.00 0.00 H new ATOM 428 N LYS A 35 5.874 8.236 12.407 1.00 0.00 N ATOM 429 CA LYS A 35 5.155 8.996 11.392 1.00 0.00 C ATOM 430 C LYS A 35 6.121 9.592 10.373 1.00 0.00 C ATOM 431 O LYS A 35 5.991 10.754 9.985 1.00 0.00 O ATOM 432 CB LYS A 35 4.334 10.110 12.045 1.00 0.00 C ATOM 433 CG LYS A 35 3.251 10.677 11.144 1.00 0.00 C ATOM 434 CD LYS A 35 2.194 11.420 11.942 1.00 0.00 C ATOM 435 CE LYS A 35 0.825 11.317 11.286 1.00 0.00 C ATOM 436 NZ LYS A 35 0.676 12.278 10.159 1.00 0.00 N ATOM 0 H LYS A 35 6.551 8.781 12.940 1.00 0.00 H new ATOM 0 HA LYS A 35 4.482 8.314 10.873 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.873 9.724 12.954 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.004 10.916 12.344 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.699 11.352 10.415 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.783 9.868 10.583 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.146 11.013 12.952 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.476 12.469 12.034 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.673 10.302 10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.051 11.507 12.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.105 12.934 10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.558 12.816 10.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.470 11.757 9.283 1.00 0.00 H new ATOM 450 N HIS A 36 7.088 8.789 9.941 1.00 0.00 N ATOM 451 CA HIS A 36 8.075 9.238 8.964 1.00 0.00 C ATOM 452 C HIS A 36 8.207 8.232 7.825 1.00 0.00 C ATOM 453 O HIS A 36 7.642 7.140 7.880 1.00 0.00 O ATOM 454 CB HIS A 36 9.432 9.446 9.637 1.00 0.00 C ATOM 455 CG HIS A 36 9.870 8.282 10.473 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.322 7.991 11.704 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.809 7.334 10.246 1.00 0.00 C ATOM 458 CE1 HIS A 36 9.907 6.915 12.200 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.812 6.496 11.334 1.00 0.00 N ATOM 0 H HIS A 36 7.210 7.825 10.251 1.00 0.00 H new ATOM 0 HA HIS A 36 7.735 10.187 8.550 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.183 9.636 8.870 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.385 10.336 10.264 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.438 7.252 9.372 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.683 6.456 13.152 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.415 5.682 11.454 1.00 0.00 H new ATOM 467 N GLU A 37 8.957 8.609 6.793 1.00 0.00 N ATOM 468 CA GLU A 37 9.162 7.739 5.641 1.00 0.00 C ATOM 469 C GLU A 37 7.826 7.304 5.044 1.00 0.00 C ATOM 470 O GLU A 37 7.465 6.127 5.060 1.00 0.00 O ATOM 471 CB GLU A 37 9.980 6.509 6.041 1.00 0.00 C ATOM 472 CG GLU A 37 11.444 6.813 6.308 1.00 0.00 C ATOM 473 CD GLU A 37 12.294 5.560 6.393 1.00 0.00 C ATOM 474 OE1 GLU A 37 11.722 4.468 6.594 1.00 0.00 O ATOM 475 OE2 GLU A 37 13.530 5.672 6.259 1.00 0.00 O ATOM 0 H GLU A 37 9.432 9.510 6.732 1.00 0.00 H new ATOM 0 HA GLU A 37 9.712 8.301 4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.541 6.066 6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.911 5.764 5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.828 7.455 5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.531 7.371 7.240 1.00 0.00 H new ATOM 482 N PRO A 38 7.075 8.275 4.505 1.00 0.00 N ATOM 483 CA PRO A 38 5.768 8.017 3.892 1.00 0.00 C ATOM 484 C PRO A 38 5.884 7.244 2.583 1.00 0.00 C ATOM 485 O PRO A 38 4.916 6.645 2.118 1.00 0.00 O ATOM 486 CB PRO A 38 5.213 9.420 3.638 1.00 0.00 C ATOM 487 CG PRO A 38 6.417 10.290 3.523 1.00 0.00 C ATOM 488 CD PRO A 38 7.443 9.699 4.450 1.00 0.00 C ATOM 0 HA PRO A 38 5.133 7.402 4.529 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.615 9.450 2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.567 9.744 4.454 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.785 10.314 2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.184 11.318 3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.455 9.838 4.070 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.407 10.162 5.436 1.00 0.00 H new ATOM 496 N ASN A 39 7.075 7.263 1.993 1.00 0.00 N ATOM 497 CA ASN A 39 7.317 6.563 0.737 1.00 0.00 C ATOM 498 C ASN A 39 7.481 5.065 0.971 1.00 0.00 C ATOM 499 O ASN A 39 7.118 4.250 0.123 1.00 0.00 O ATOM 500 CB ASN A 39 8.564 7.123 0.049 1.00 0.00 C ATOM 501 CG ASN A 39 9.819 6.924 0.877 1.00 0.00 C ATOM 502 OD1 ASN A 39 9.875 7.315 2.043 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.833 6.313 0.276 1.00 0.00 N ATOM 0 H ASN A 39 7.887 7.755 2.365 1.00 0.00 H new ATOM 0 HA ASN A 39 6.453 6.719 0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.690 6.639 -0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.423 8.187 -0.143 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.703 6.151 0.783 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.742 6.006 -0.692 1.00 0.00 H new ATOM 510 N MET A 40 8.030 4.709 2.128 1.00 0.00 N ATOM 511 CA MET A 40 8.241 3.308 2.474 1.00 0.00 C ATOM 512 C MET A 40 7.111 2.791 3.359 1.00 0.00 C ATOM 513 O MET A 40 7.298 1.855 4.135 1.00 0.00 O ATOM 514 CB MET A 40 9.583 3.133 3.187 1.00 0.00 C ATOM 515 CG MET A 40 10.776 3.567 2.351 1.00 0.00 C ATOM 516 SD MET A 40 12.332 3.464 3.256 1.00 0.00 S ATOM 517 CE MET A 40 12.714 1.723 3.077 1.00 0.00 C ATOM 0 H MET A 40 8.337 5.371 2.841 1.00 0.00 H new ATOM 0 HA MET A 40 8.250 2.729 1.551 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.571 3.707 4.113 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.705 2.086 3.463 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.837 2.943 1.460 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.624 4.592 2.013 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.232 1.371 3.969 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.790 1.159 2.948 1.00 0.00 H new ATOM 0 HE3 MET A 40 13.352 1.578 2.206 1.00 0.00 H new ATOM 527 N GLN A 41 5.939 3.407 3.236 1.00 0.00 N ATOM 528 CA GLN A 41 4.780 3.009 4.026 1.00 0.00 C ATOM 529 C GLN A 41 3.775 2.246 3.170 1.00 0.00 C ATOM 530 O GLN A 41 3.394 2.698 2.089 1.00 0.00 O ATOM 531 CB GLN A 41 4.112 4.238 4.645 1.00 0.00 C ATOM 532 CG GLN A 41 4.672 4.612 6.008 1.00 0.00 C ATOM 533 CD GLN A 41 4.301 6.022 6.424 1.00 0.00 C ATOM 534 OE1 GLN A 41 3.032 6.374 6.256 1.00 0.00 O flip ATOM 535 NE2 GLN A 41 5.145 6.787 6.892 1.00 0.00 N flip ATOM 0 H GLN A 41 5.767 4.183 2.597 1.00 0.00 H new ATOM 0 HA GLN A 41 5.124 2.351 4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.229 5.085 3.968 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.042 4.051 4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.303 3.908 6.754 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.758 4.516 5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.110 6.475 7.004 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.879 7.732 7.168 1.00 0.00 H new ATOM 544 N LEU A 42 3.348 1.087 3.660 1.00 0.00 N ATOM 545 CA LEU A 42 2.386 0.260 2.940 1.00 0.00 C ATOM 546 C LEU A 42 0.978 0.454 3.494 1.00 0.00 C ATOM 547 O LEU A 42 0.748 0.312 4.696 1.00 0.00 O ATOM 548 CB LEU A 42 2.783 -1.214 3.029 1.00 0.00 C ATOM 549 CG LEU A 42 4.280 -1.513 2.939 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.536 -3.006 3.070 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.852 -0.985 1.631 1.00 0.00 C ATOM 0 H LEU A 42 3.653 0.699 4.553 1.00 0.00 H new ATOM 0 HA LEU A 42 2.390 0.568 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.409 -1.614 3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.276 -1.755 2.230 1.00 0.00 H new ATOM 0 HG LEU A 42 4.782 -1.006 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.607 -3.199 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.163 -3.356 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.022 -3.535 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.918 -1.207 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.345 -1.463 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.703 0.093 1.578 1.00 0.00 H new ATOM 563 N LEU A 43 0.040 0.777 2.612 1.00 0.00 N ATOM 564 CA LEU A 43 -1.347 0.988 3.012 1.00 0.00 C ATOM 565 C LEU A 43 -2.182 -0.264 2.764 1.00 0.00 C ATOM 566 O LEU A 43 -1.995 -0.960 1.766 1.00 0.00 O ATOM 567 CB LEU A 43 -1.944 2.173 2.251 1.00 0.00 C ATOM 568 CG LEU A 43 -2.570 3.274 3.107 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.807 2.755 3.824 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.558 3.813 4.107 1.00 0.00 C ATOM 0 H LEU A 43 0.214 0.899 1.614 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.362 1.206 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.160 2.618 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.705 1.794 1.568 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.872 4.090 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.239 3.553 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.539 2.419 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.531 1.921 4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.021 4.596 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.225 3.005 4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.702 4.225 3.572 1.00 0.00 H new ATOM 582 N CYS A 44 -3.106 -0.543 3.677 1.00 0.00 N ATOM 583 CA CYS A 44 -3.972 -1.710 3.557 1.00 0.00 C ATOM 584 C CYS A 44 -5.192 -1.396 2.696 1.00 0.00 C ATOM 585 O CYS A 44 -5.718 -0.283 2.728 1.00 0.00 O ATOM 586 CB CYS A 44 -4.420 -2.183 4.942 1.00 0.00 C ATOM 587 SG CYS A 44 -5.380 -3.732 4.924 1.00 0.00 S ATOM 0 H CYS A 44 -3.274 0.023 4.508 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.404 -2.505 3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.539 -2.321 5.570 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.022 -1.401 5.404 1.00 0.00 H new ATOM 592 N ASP A 45 -5.636 -2.384 1.926 1.00 0.00 N ATOM 593 CA ASP A 45 -6.794 -2.214 1.057 1.00 0.00 C ATOM 594 C ASP A 45 -8.062 -2.723 1.735 1.00 0.00 C ATOM 595 O ASP A 45 -9.006 -3.148 1.069 1.00 0.00 O ATOM 596 CB ASP A 45 -6.578 -2.950 -0.266 1.00 0.00 C ATOM 597 CG ASP A 45 -6.721 -2.037 -1.468 1.00 0.00 C ATOM 598 OD1 ASP A 45 -6.187 -0.909 -1.423 1.00 0.00 O ATOM 599 OD2 ASP A 45 -7.367 -2.450 -2.453 1.00 0.00 O ATOM 0 H ASP A 45 -5.211 -3.311 1.886 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.913 -1.149 0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.585 -3.399 -0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.296 -3.766 -0.346 1.00 0.00 H new ATOM 604 N GLU A 46 -8.076 -2.678 3.063 1.00 0.00 N ATOM 605 CA GLU A 46 -9.228 -3.136 3.831 1.00 0.00 C ATOM 606 C GLU A 46 -9.523 -2.187 4.988 1.00 0.00 C ATOM 607 O GLU A 46 -10.627 -1.652 5.101 1.00 0.00 O ATOM 608 CB GLU A 46 -8.982 -4.549 4.366 1.00 0.00 C ATOM 609 CG GLU A 46 -10.230 -5.215 4.921 1.00 0.00 C ATOM 610 CD GLU A 46 -11.314 -5.386 3.875 1.00 0.00 C ATOM 611 OE1 GLU A 46 -11.034 -6.002 2.826 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.443 -4.903 4.105 1.00 0.00 O ATOM 0 H GLU A 46 -7.303 -2.329 3.630 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.092 -3.151 3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.577 -5.167 3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.225 -4.505 5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.966 -6.191 5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.618 -4.619 5.747 1.00 0.00 H new ATOM 619 N CYS A 47 -8.530 -1.981 5.846 1.00 0.00 N ATOM 620 CA CYS A 47 -8.682 -1.097 6.996 1.00 0.00 C ATOM 621 C CYS A 47 -8.007 0.247 6.741 1.00 0.00 C ATOM 622 O CYS A 47 -8.219 1.209 7.478 1.00 0.00 O ATOM 623 CB CYS A 47 -8.090 -1.748 8.248 1.00 0.00 C ATOM 624 SG CYS A 47 -6.311 -2.119 8.123 1.00 0.00 S ATOM 0 H CYS A 47 -7.610 -2.415 5.767 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.747 -0.925 7.153 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.254 -1.088 9.100 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.629 -2.673 8.453 1.00 0.00 H new ATOM 629 N ASN A 48 -7.193 0.305 5.692 1.00 0.00 N ATOM 630 CA ASN A 48 -6.486 1.531 5.340 1.00 0.00 C ATOM 631 C ASN A 48 -5.511 1.933 6.442 1.00 0.00 C ATOM 632 O ASN A 48 -5.668 2.978 7.074 1.00 0.00 O ATOM 633 CB ASN A 48 -7.483 2.664 5.087 1.00 0.00 C ATOM 634 CG ASN A 48 -8.635 2.233 4.200 1.00 0.00 C ATOM 635 OD1 ASN A 48 -9.747 2.002 4.675 1.00 0.00 O ATOM 636 ND2 ASN A 48 -8.373 2.123 2.902 1.00 0.00 N ATOM 0 H ASN A 48 -7.007 -0.482 5.071 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.918 1.345 4.428 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.875 3.019 6.040 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.965 3.503 4.623 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.108 1.837 2.256 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.436 2.325 2.552 1.00 0.00 H new ATOM 643 N VAL A 49 -4.503 1.096 6.667 1.00 0.00 N ATOM 644 CA VAL A 49 -3.501 1.365 7.692 1.00 0.00 C ATOM 645 C VAL A 49 -2.100 1.404 7.092 1.00 0.00 C ATOM 646 O VAL A 49 -1.741 0.561 6.271 1.00 0.00 O ATOM 647 CB VAL A 49 -3.541 0.303 8.807 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.090 -1.048 8.275 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.680 0.736 9.984 1.00 0.00 C ATOM 0 H VAL A 49 -4.359 0.227 6.154 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.738 2.339 8.120 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.569 0.204 9.154 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.125 -1.785 9.077 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.751 -1.360 7.467 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.070 -0.969 7.899 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.719 -0.025 10.763 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.649 0.864 9.653 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.054 1.680 10.380 1.00 0.00 H new ATOM 659 N ALA A 50 -1.311 2.389 7.510 1.00 0.00 N ATOM 660 CA ALA A 50 0.053 2.538 7.017 1.00 0.00 C ATOM 661 C ALA A 50 1.040 1.775 7.894 1.00 0.00 C ATOM 662 O ALA A 50 1.098 1.984 9.106 1.00 0.00 O ATOM 663 CB ALA A 50 0.432 4.009 6.949 1.00 0.00 C ATOM 0 H ALA A 50 -1.593 3.096 8.189 1.00 0.00 H new ATOM 0 HA ALA A 50 0.098 2.116 6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.453 4.105 6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.248 4.529 6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.364 4.449 7.944 1.00 0.00 H new ATOM 669 N TYR A 51 1.813 0.891 7.275 1.00 0.00 N ATOM 670 CA TYR A 51 2.796 0.094 8.000 1.00 0.00 C ATOM 671 C TYR A 51 4.147 0.119 7.292 1.00 0.00 C ATOM 672 O TYR A 51 4.221 0.017 6.067 1.00 0.00 O ATOM 673 CB TYR A 51 2.309 -1.349 8.143 1.00 0.00 C ATOM 674 CG TYR A 51 1.436 -1.576 9.357 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.951 -1.450 10.641 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.095 -1.915 9.219 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.157 -1.657 11.752 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.706 -2.122 10.324 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.171 -1.993 11.589 1.00 0.00 C ATOM 680 OH TYR A 51 -0.965 -2.199 12.693 1.00 0.00 O ATOM 0 H TYR A 51 1.778 0.708 6.272 1.00 0.00 H new ATOM 0 HA TYR A 51 2.918 0.529 8.992 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.752 -1.626 7.248 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.173 -2.011 8.198 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.990 -1.186 10.773 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.327 -2.018 8.230 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.574 -1.556 12.743 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.746 -2.384 10.199 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.873 -2.427 12.405 1.00 0.00 H new ATOM 690 N HIS A 52 5.215 0.254 8.072 1.00 0.00 N ATOM 691 CA HIS A 52 6.565 0.291 7.521 1.00 0.00 C ATOM 692 C HIS A 52 6.961 -1.072 6.962 1.00 0.00 C ATOM 693 O HIS A 52 6.356 -2.091 7.298 1.00 0.00 O ATOM 694 CB HIS A 52 7.564 0.725 8.594 1.00 0.00 C ATOM 695 CG HIS A 52 7.366 2.134 9.063 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.867 2.607 10.257 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.718 3.174 8.489 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.534 3.877 10.399 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.837 4.246 9.339 1.00 0.00 N ATOM 0 H HIS A 52 5.172 0.340 9.087 1.00 0.00 H new ATOM 0 HA HIS A 52 6.579 1.016 6.707 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.483 0.052 9.448 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.575 0.621 8.201 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.203 3.163 7.540 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.788 4.507 11.239 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.450 5.176 9.178 1.00 0.00 H new ATOM 707 N ILE A 53 7.978 -1.083 6.107 1.00 0.00 N ATOM 708 CA ILE A 53 8.454 -2.320 5.502 1.00 0.00 C ATOM 709 C ILE A 53 9.366 -3.084 6.456 1.00 0.00 C ATOM 710 O ILE A 53 9.653 -4.263 6.248 1.00 0.00 O ATOM 711 CB ILE A 53 9.213 -2.050 4.190 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.422 -1.149 4.451 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.287 -1.417 3.163 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.689 -1.626 3.775 1.00 0.00 C ATOM 0 H ILE A 53 8.488 -0.249 5.818 1.00 0.00 H new ATOM 0 HA ILE A 53 7.573 -2.923 5.284 1.00 0.00 H new ATOM 0 HB ILE A 53 9.570 -3.000 3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.194 -0.140 4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.594 -1.088 5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.838 -1.232 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.455 -2.091 2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.903 -0.474 3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.504 -0.939 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.942 -2.623 4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.535 -1.660 2.696 1.00 0.00 H new ATOM 726 N TYR A 54 9.818 -2.404 7.505 1.00 0.00 N ATOM 727 CA TYR A 54 10.698 -3.017 8.492 1.00 0.00 C ATOM 728 C TYR A 54 10.018 -3.096 9.855 1.00 0.00 C ATOM 729 O TYR A 54 10.680 -3.122 10.892 1.00 0.00 O ATOM 730 CB TYR A 54 12.002 -2.225 8.605 1.00 0.00 C ATOM 731 CG TYR A 54 11.797 -0.730 8.688 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.502 -0.115 9.898 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.896 0.069 7.555 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.312 1.251 9.979 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.710 1.436 7.626 1.00 0.00 C ATOM 736 CZ TYR A 54 11.418 2.022 8.840 1.00 0.00 C ATOM 737 OH TYR A 54 11.230 3.383 8.915 1.00 0.00 O ATOM 0 H TYR A 54 9.589 -1.428 7.693 1.00 0.00 H new ATOM 0 HA TYR A 54 10.923 -4.030 8.160 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.544 -2.559 9.490 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.630 -2.450 7.743 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.420 -0.716 10.792 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.122 -0.387 6.602 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.082 1.712 10.928 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.793 2.042 6.736 1.00 0.00 H new ATOM 0 HH TYR A 54 11.101 3.746 8.014 1.00 0.00 H new ATOM 747 N CYS A 55 8.690 -3.135 9.844 1.00 0.00 N ATOM 748 CA CYS A 55 7.916 -3.212 11.078 1.00 0.00 C ATOM 749 C CYS A 55 6.784 -4.226 10.948 1.00 0.00 C ATOM 750 O CYS A 55 5.805 -4.180 11.695 1.00 0.00 O ATOM 751 CB CYS A 55 7.346 -1.837 11.432 1.00 0.00 C ATOM 752 SG CYS A 55 8.604 -0.612 11.916 1.00 0.00 S ATOM 0 H CYS A 55 8.127 -3.115 8.994 1.00 0.00 H new ATOM 0 HA CYS A 55 8.582 -3.539 11.876 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.792 -1.454 10.575 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.632 -1.951 12.248 1.00 0.00 H new ATOM 757 N LEU A 56 6.924 -5.142 9.996 1.00 0.00 N ATOM 758 CA LEU A 56 5.914 -6.170 9.768 1.00 0.00 C ATOM 759 C LEU A 56 6.226 -7.428 10.571 1.00 0.00 C ATOM 760 O LEU A 56 7.201 -7.472 11.320 1.00 0.00 O ATOM 761 CB LEU A 56 5.830 -6.509 8.279 1.00 0.00 C ATOM 762 CG LEU A 56 5.042 -5.528 7.410 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.139 -5.917 5.943 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.588 -5.472 7.855 1.00 0.00 C ATOM 0 H LEU A 56 7.727 -5.194 9.369 1.00 0.00 H new ATOM 0 HA LEU A 56 4.952 -5.779 10.100 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.844 -6.579 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.380 -7.496 8.177 1.00 0.00 H new ATOM 0 HG LEU A 56 5.476 -4.535 7.530 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.572 -5.208 5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.183 -5.905 5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.731 -6.918 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.042 -4.769 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.142 -6.462 7.765 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.538 -5.144 8.893 1.00 0.00 H new ATOM 776 N ASN A 57 5.393 -8.450 10.408 1.00 0.00 N ATOM 777 CA ASN A 57 5.581 -9.711 11.117 1.00 0.00 C ATOM 778 C ASN A 57 5.085 -10.886 10.278 1.00 0.00 C ATOM 779 O ASN A 57 3.900 -11.219 10.270 1.00 0.00 O ATOM 780 CB ASN A 57 4.845 -9.681 12.458 1.00 0.00 C ATOM 781 CG ASN A 57 5.776 -9.905 13.633 1.00 0.00 C ATOM 782 OD1 ASN A 57 5.600 -10.845 14.409 1.00 0.00 O ATOM 783 ND2 ASN A 57 6.774 -9.039 13.771 1.00 0.00 N ATOM 0 H ASN A 57 4.581 -8.430 9.791 1.00 0.00 H new ATOM 0 HA ASN A 57 6.648 -9.841 11.299 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.344 -8.720 12.573 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.070 -10.447 12.461 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.432 -9.138 14.544 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.882 -8.275 13.104 1.00 0.00 H new ATOM 790 N PRO A 58 6.014 -11.530 9.555 1.00 0.00 N ATOM 791 CA PRO A 58 7.427 -11.142 9.556 1.00 0.00 C ATOM 792 C PRO A 58 7.663 -9.809 8.853 1.00 0.00 C ATOM 793 O PRO A 58 6.783 -9.269 8.183 1.00 0.00 O ATOM 794 CB PRO A 58 8.107 -12.279 8.790 1.00 0.00 C ATOM 795 CG PRO A 58 7.039 -12.838 7.915 1.00 0.00 C ATOM 796 CD PRO A 58 5.754 -12.686 8.681 1.00 0.00 C ATOM 0 HA PRO A 58 7.811 -11.001 10.567 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.949 -11.913 8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.498 -13.036 9.470 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.993 -12.304 6.966 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.233 -13.885 7.683 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.909 -12.506 8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.521 -13.581 9.257 1.00 0.00 H new ATOM 804 N PRO A 59 8.880 -9.265 9.008 1.00 0.00 N ATOM 805 CA PRO A 59 9.260 -7.989 8.394 1.00 0.00 C ATOM 806 C PRO A 59 9.390 -8.091 6.878 1.00 0.00 C ATOM 807 O PRO A 59 9.118 -9.139 6.290 1.00 0.00 O ATOM 808 CB PRO A 59 10.618 -7.682 9.028 1.00 0.00 C ATOM 809 CG PRO A 59 11.165 -9.012 9.417 1.00 0.00 C ATOM 810 CD PRO A 59 9.977 -9.854 9.793 1.00 0.00 C ATOM 0 HA PRO A 59 8.511 -7.216 8.563 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.277 -7.173 8.325 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.512 -7.029 9.894 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.718 -9.463 8.593 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.858 -8.920 10.253 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.132 -10.903 9.542 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.775 -9.809 10.863 1.00 0.00 H new ATOM 818 N LEU A 60 9.808 -6.998 6.250 1.00 0.00 N ATOM 819 CA LEU A 60 9.975 -6.964 4.801 1.00 0.00 C ATOM 820 C LEU A 60 11.308 -6.329 4.422 1.00 0.00 C ATOM 821 O LEU A 60 11.569 -5.169 4.745 1.00 0.00 O ATOM 822 CB LEU A 60 8.825 -6.191 4.153 1.00 0.00 C ATOM 823 CG LEU A 60 7.751 -7.035 3.466 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.633 -6.150 2.939 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.359 -7.857 2.339 1.00 0.00 C ATOM 0 H LEU A 60 10.038 -6.123 6.721 1.00 0.00 H new ATOM 0 HA LEU A 60 9.966 -7.990 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.345 -5.583 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.244 -5.504 3.418 1.00 0.00 H new ATOM 0 HG LEU A 60 7.328 -7.720 4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.878 -6.768 2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.179 -5.606 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.040 -5.441 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.580 -8.452 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.809 -7.190 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.124 -8.519 2.744 1.00 0.00 H new ATOM 837 N ASP A 61 12.148 -7.094 3.733 1.00 0.00 N ATOM 838 CA ASP A 61 13.454 -6.604 3.306 1.00 0.00 C ATOM 839 C ASP A 61 13.316 -5.301 2.525 1.00 0.00 C ATOM 840 O ASP A 61 14.227 -4.472 2.514 1.00 0.00 O ATOM 841 CB ASP A 61 14.160 -7.655 2.448 1.00 0.00 C ATOM 842 CG ASP A 61 15.217 -8.419 3.222 1.00 0.00 C ATOM 843 OD1 ASP A 61 14.870 -9.443 3.846 1.00 0.00 O ATOM 844 OD2 ASP A 61 16.390 -7.992 3.204 1.00 0.00 O ATOM 0 H ASP A 61 11.948 -8.056 3.458 1.00 0.00 H new ATOM 0 HA ASP A 61 14.052 -6.411 4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.422 -8.356 2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.623 -7.168 1.590 1.00 0.00 H new ATOM 849 N LYS A 62 12.173 -5.126 1.872 1.00 0.00 N ATOM 850 CA LYS A 62 11.915 -3.924 1.088 1.00 0.00 C ATOM 851 C LYS A 62 10.431 -3.797 0.760 1.00 0.00 C ATOM 852 O LYS A 62 9.606 -4.559 1.262 1.00 0.00 O ATOM 853 CB LYS A 62 12.734 -3.948 -0.205 1.00 0.00 C ATOM 854 CG LYS A 62 12.314 -5.043 -1.170 1.00 0.00 C ATOM 855 CD LYS A 62 13.053 -4.933 -2.494 1.00 0.00 C ATOM 856 CE LYS A 62 13.849 -6.193 -2.794 1.00 0.00 C ATOM 857 NZ LYS A 62 14.907 -6.437 -1.775 1.00 0.00 N ATOM 0 H LYS A 62 11.409 -5.802 1.870 1.00 0.00 H new ATOM 0 HA LYS A 62 12.213 -3.061 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.642 -2.982 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.787 -4.079 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.509 -6.018 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.240 -4.982 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.338 -4.753 -3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.725 -4.075 -2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.175 -7.049 -2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.307 -6.107 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.636 -7.062 -2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.340 -5.532 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.485 -6.887 -0.938 1.00 0.00 H new ATOM 871 N VAL A 63 10.098 -2.828 -0.088 1.00 0.00 N ATOM 872 CA VAL A 63 8.713 -2.603 -0.486 1.00 0.00 C ATOM 873 C VAL A 63 8.289 -3.577 -1.579 1.00 0.00 C ATOM 874 O VAL A 63 9.006 -3.804 -2.554 1.00 0.00 O ATOM 875 CB VAL A 63 8.500 -1.162 -0.986 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.046 -0.940 -1.373 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.938 -0.160 0.072 1.00 0.00 C ATOM 0 H VAL A 63 10.768 -2.187 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 63 8.099 -2.767 0.400 1.00 0.00 H new ATOM 0 HB VAL A 63 9.114 -1.010 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.915 0.084 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.771 -1.634 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.408 -1.111 -0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.780 0.853 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.353 -0.310 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.995 -0.304 0.294 1.00 0.00 H new ATOM 887 N PRO A 64 7.096 -4.167 -1.416 1.00 0.00 N ATOM 888 CA PRO A 64 6.549 -5.126 -2.380 1.00 0.00 C ATOM 889 C PRO A 64 6.151 -4.464 -3.694 1.00 0.00 C ATOM 890 O PRO A 64 6.350 -3.264 -3.880 1.00 0.00 O ATOM 891 CB PRO A 64 5.314 -5.682 -1.666 1.00 0.00 C ATOM 892 CG PRO A 64 4.913 -4.609 -0.713 1.00 0.00 C ATOM 893 CD PRO A 64 6.189 -3.943 -0.278 1.00 0.00 C ATOM 0 HA PRO A 64 7.278 -5.888 -2.655 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.514 -5.903 -2.373 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.543 -6.611 -1.143 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.243 -3.894 -1.190 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.379 -5.025 0.141 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.042 -2.880 -0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.579 -4.383 0.640 1.00 0.00 H new ATOM 901 N GLU A 65 5.587 -5.254 -4.603 1.00 0.00 N ATOM 902 CA GLU A 65 5.162 -4.742 -5.900 1.00 0.00 C ATOM 903 C GLU A 65 4.171 -5.695 -6.563 1.00 0.00 C ATOM 904 O GLU A 65 4.052 -5.730 -7.787 1.00 0.00 O ATOM 905 CB GLU A 65 6.372 -4.532 -6.812 1.00 0.00 C ATOM 906 CG GLU A 65 6.126 -3.535 -7.932 1.00 0.00 C ATOM 907 CD GLU A 65 7.266 -3.483 -8.929 1.00 0.00 C ATOM 908 OE1 GLU A 65 8.435 -3.447 -8.491 1.00 0.00 O ATOM 909 OE2 GLU A 65 6.991 -3.478 -10.147 1.00 0.00 O ATOM 0 H GLU A 65 5.414 -6.250 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 65 4.667 -3.784 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.214 -4.189 -6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.659 -5.490 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.205 -3.799 -8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.977 -2.544 -7.504 1.00 0.00 H new ATOM 916 N GLU A 66 3.463 -6.467 -5.744 1.00 0.00 N ATOM 917 CA GLU A 66 2.484 -7.422 -6.251 1.00 0.00 C ATOM 918 C GLU A 66 1.159 -6.730 -6.557 1.00 0.00 C ATOM 919 O GLU A 66 1.072 -5.503 -6.552 1.00 0.00 O ATOM 920 CB GLU A 66 2.263 -8.546 -5.237 1.00 0.00 C ATOM 921 CG GLU A 66 3.551 -9.185 -4.746 1.00 0.00 C ATOM 922 CD GLU A 66 3.516 -10.699 -4.817 1.00 0.00 C ATOM 923 OE1 GLU A 66 2.967 -11.325 -3.887 1.00 0.00 O ATOM 924 OE2 GLU A 66 4.038 -11.257 -5.805 1.00 0.00 O ATOM 0 H GLU A 66 3.549 -6.450 -4.728 1.00 0.00 H new ATOM 0 HA GLU A 66 2.874 -7.848 -7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.715 -8.150 -4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.636 -9.314 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.385 -8.816 -5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.735 -8.878 -3.717 1.00 0.00 H new ATOM 931 N GLU A 67 0.130 -7.528 -6.825 1.00 0.00 N ATOM 932 CA GLU A 67 -1.191 -6.993 -7.135 1.00 0.00 C ATOM 933 C GLU A 67 -1.640 -6.000 -6.067 1.00 0.00 C ATOM 934 O GLU A 67 -2.074 -4.891 -6.379 1.00 0.00 O ATOM 935 CB GLU A 67 -2.210 -8.128 -7.254 1.00 0.00 C ATOM 936 CG GLU A 67 -3.539 -7.692 -7.848 1.00 0.00 C ATOM 937 CD GLU A 67 -3.565 -7.796 -9.360 1.00 0.00 C ATOM 938 OE1 GLU A 67 -2.491 -7.658 -9.983 1.00 0.00 O ATOM 939 OE2 GLU A 67 -4.659 -8.016 -9.921 1.00 0.00 O ATOM 0 H GLU A 67 0.186 -8.546 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.129 -6.470 -8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.788 -8.921 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.385 -8.553 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.338 -8.306 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.743 -6.662 -7.555 1.00 0.00 H new ATOM 946 N TYR A 68 -1.533 -6.407 -4.807 1.00 0.00 N ATOM 947 CA TYR A 68 -1.931 -5.556 -3.693 1.00 0.00 C ATOM 948 C TYR A 68 -1.213 -5.966 -2.410 1.00 0.00 C ATOM 949 O TYR A 68 -0.583 -7.022 -2.350 1.00 0.00 O ATOM 950 CB TYR A 68 -3.445 -5.623 -3.487 1.00 0.00 C ATOM 951 CG TYR A 68 -3.998 -7.030 -3.520 1.00 0.00 C ATOM 952 CD1 TYR A 68 -3.791 -7.904 -2.460 1.00 0.00 C ATOM 953 CD2 TYR A 68 -4.730 -7.484 -4.610 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.294 -9.191 -2.486 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.238 -8.768 -4.644 1.00 0.00 C ATOM 956 CZ TYR A 68 -5.017 -9.618 -3.580 1.00 0.00 C ATOM 957 OH TYR A 68 -5.521 -10.898 -3.610 1.00 0.00 O ATOM 0 H TYR A 68 -1.174 -7.321 -4.532 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.649 -4.531 -3.934 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.694 -5.166 -2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.935 -5.031 -4.260 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.227 -7.572 -1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.905 -6.822 -5.445 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.122 -9.858 -1.655 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.805 -9.105 -5.499 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.006 -11.039 -4.450 1.00 0.00 H new ATOM 967 N TRP A 69 -1.315 -5.125 -1.388 1.00 0.00 N ATOM 968 CA TRP A 69 -0.677 -5.399 -0.106 1.00 0.00 C ATOM 969 C TRP A 69 -1.665 -5.228 1.042 1.00 0.00 C ATOM 970 O TRP A 69 -2.288 -4.175 1.186 1.00 0.00 O ATOM 971 CB TRP A 69 0.525 -4.475 0.097 1.00 0.00 C ATOM 972 CG TRP A 69 1.228 -4.693 1.403 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.324 -5.478 1.623 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.882 -4.120 2.668 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.679 -5.427 2.949 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.811 -4.600 3.611 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.121 -3.246 3.096 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.765 -4.236 4.954 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.166 -2.886 4.430 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.772 -3.379 5.346 1.00 0.00 C ATOM 0 H TRP A 69 -1.834 -4.247 -1.422 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.334 -6.434 -0.114 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.233 -4.627 -0.718 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.191 -3.439 0.041 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.836 -6.054 0.866 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.462 -5.925 3.372 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.848 -2.859 2.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.487 -4.616 5.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.938 -2.213 4.772 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.711 -3.077 6.381 1.00 0.00 H new ATOM 991 N TYR A 70 -1.805 -6.267 1.857 1.00 0.00 N ATOM 992 CA TYR A 70 -2.720 -6.231 2.992 1.00 0.00 C ATOM 993 C TYR A 70 -1.967 -6.417 4.306 1.00 0.00 C ATOM 994 O TYR A 70 -1.181 -7.352 4.458 1.00 0.00 O ATOM 995 CB TYR A 70 -3.789 -7.316 2.846 1.00 0.00 C ATOM 996 CG TYR A 70 -4.894 -6.951 1.881 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.620 -6.697 0.543 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.214 -6.861 2.308 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.627 -6.362 -0.341 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.227 -6.528 1.430 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.929 -6.279 0.107 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.935 -5.948 -0.772 1.00 0.00 O ATOM 0 H TYR A 70 -1.296 -7.145 1.753 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.202 -5.254 3.006 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.315 -8.238 2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.225 -7.519 3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.602 -6.763 0.188 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.451 -7.055 3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.396 -6.166 -1.378 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.247 -6.463 1.778 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.792 -5.934 -0.298 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.213 -5.518 5.253 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.560 -5.581 6.555 1.00 0.00 C ATOM 1014 C CYS A 71 -1.706 -6.969 7.171 1.00 0.00 C ATOM 1015 O CYS A 71 -2.633 -7.719 6.862 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.151 -4.529 7.496 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.799 -4.954 8.146 1.00 0.00 S ATOM 0 H CYS A 71 -2.860 -4.737 5.143 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.499 -5.377 6.412 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.469 -4.382 8.333 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.215 -3.578 6.966 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.769 -7.322 8.064 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.771 -8.621 8.742 1.00 0.00 C ATOM 1024 C PRO A 72 -1.914 -8.750 9.744 1.00 0.00 C ATOM 1025 O PRO A 72 -2.161 -9.829 10.283 1.00 0.00 O ATOM 1026 CB PRO A 72 0.578 -8.647 9.464 1.00 0.00 C ATOM 1027 CG PRO A 72 0.927 -7.212 9.666 1.00 0.00 C ATOM 1028 CD PRO A 72 0.364 -6.479 8.480 1.00 0.00 C ATOM 0 HA PRO A 72 -0.911 -9.445 8.043 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.508 -9.175 10.415 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.335 -9.159 8.870 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.502 -6.834 10.596 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.007 -7.078 9.731 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.040 -5.473 8.746 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.102 -6.376 7.684 1.00 0.00 H new ATOM 1036 N SER A 73 -2.608 -7.643 9.988 1.00 0.00 N ATOM 1037 CA SER A 73 -3.723 -7.632 10.928 1.00 0.00 C ATOM 1038 C SER A 73 -5.028 -7.998 10.227 1.00 0.00 C ATOM 1039 O SER A 73 -6.020 -8.337 10.874 1.00 0.00 O ATOM 1040 CB SER A 73 -3.852 -6.255 11.583 1.00 0.00 C ATOM 1041 OG SER A 73 -2.579 -5.663 11.778 1.00 0.00 O ATOM 0 H SER A 73 -2.418 -6.743 9.548 1.00 0.00 H new ATOM 0 HA SER A 73 -3.523 -8.376 11.699 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.466 -5.607 10.958 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.363 -6.351 12.541 1.00 0.00 H new ATOM 0 HG SER A 73 -2.688 -4.783 12.196 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.020 -7.927 8.901 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.201 -8.250 8.110 1.00 0.00 C ATOM 1049 C CYS A 74 -6.066 -9.627 7.467 1.00 0.00 C ATOM 1050 O CYS A 74 -6.948 -10.476 7.599 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.422 -7.190 7.029 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.316 -5.712 7.608 1.00 0.00 S ATOM 0 H CYS A 74 -4.208 -7.648 8.351 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.062 -8.264 8.778 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.454 -6.884 6.632 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -6.977 -7.637 6.205 1.00 0.00 H new ATOM 1057 N LYS A 75 -4.954 -9.843 6.771 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.700 -11.116 6.109 1.00 0.00 C ATOM 1059 C LYS A 75 -4.880 -12.280 7.079 1.00 0.00 C ATOM 1060 O LYS A 75 -4.065 -12.483 7.979 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.286 -11.138 5.526 1.00 0.00 C ATOM 1062 CG LYS A 75 -2.862 -12.503 5.010 1.00 0.00 C ATOM 1063 CD LYS A 75 -1.505 -12.444 4.328 1.00 0.00 C ATOM 1064 CE LYS A 75 -1.383 -13.496 3.237 1.00 0.00 C ATOM 1065 NZ LYS A 75 -0.536 -13.027 2.106 1.00 0.00 N ATOM 0 H LYS A 75 -4.214 -9.151 6.651 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.422 -11.226 5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.227 -10.416 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.581 -10.813 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.824 -13.210 5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.608 -12.875 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.356 -11.454 3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.718 -12.593 5.068 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.956 -14.407 3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.376 -13.751 2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.478 -13.773 1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.957 -12.172 1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.419 -12.808 2.455 1.00 0.00 H new ATOM 1079 N THR A 76 -5.953 -13.042 6.889 1.00 0.00 N ATOM 1080 CA THR A 76 -6.239 -14.185 7.747 1.00 0.00 C ATOM 1081 C THR A 76 -6.275 -15.480 6.943 1.00 0.00 C ATOM 1082 O THR A 76 -6.964 -16.431 7.312 1.00 0.00 O ATOM 1083 CB THR A 76 -7.581 -14.013 8.483 1.00 0.00 C ATOM 1084 OG1 THR A 76 -7.767 -15.082 9.418 1.00 0.00 O ATOM 1085 CG2 THR A 76 -8.739 -13.988 7.497 1.00 0.00 C ATOM 0 H THR A 76 -6.638 -12.888 6.149 1.00 0.00 H new ATOM 0 HA THR A 76 -5.435 -14.239 8.481 1.00 0.00 H new ATOM 0 HB THR A 76 -7.559 -13.063 9.017 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.515 -15.931 8.998 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.676 -13.866 8.040 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.609 -13.156 6.805 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.762 -14.924 6.939 1.00 0.00 H new ATOM 1093 N ASP A 77 -5.529 -15.510 5.845 1.00 0.00 N ATOM 1094 CA ASP A 77 -5.474 -16.690 4.989 1.00 0.00 C ATOM 1095 C ASP A 77 -4.179 -17.465 5.214 1.00 0.00 C ATOM 1096 O ASP A 77 -3.101 -16.899 5.037 1.00 0.00 O ATOM 1097 CB ASP A 77 -5.594 -16.286 3.519 1.00 0.00 C ATOM 1098 CG ASP A 77 -7.034 -16.233 3.048 1.00 0.00 C ATOM 1099 OD1 ASP A 77 -7.915 -15.913 3.873 1.00 0.00 O ATOM 1100 OD2 ASP A 77 -7.279 -16.511 1.856 1.00 0.00 O ATOM 0 H ASP A 77 -4.953 -14.731 5.526 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.312 -17.337 5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.132 -15.309 3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.040 -16.995 2.904 1.00 0.00 H new TER 1105 ASP A 77 HETATM 1106 ZN ZN A 201 7.481 1.446 11.905 1.00 0.00 ZN HETATM 1107 ZN ZN A 401 -5.649 -4.080 7.241 1.00 0.00 ZN HETATM 1108 ZN ZN A 601 -4.867 9.822 12.262 1.00 0.00 ZN