USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=16 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0903 USER MOD Single : A 3 SER OG : rot 36:sc= 0.0209 USER MOD Single : A 5 SER OG : rot 180:sc= 0.17 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.033) 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= -1.36 K(o=-1.4,f=-3.2!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 102:sc= 1.02 USER MOD Single : A 35 LYS NZ :NH3+ -149:sc= 0.538 (180deg=0.118) USER MOD Single : A 36 HIS : no HD1:sc= -0.0379 K(o=-0.038,f=-0.79) USER MOD Single : A 39 ASN : amide:sc= -0.788 K(o=-0.79,f=-2) USER MOD Single : A 40 MET CE :methyl 175:sc= -0.0346 (180deg=-0.0846) USER MOD Single : A 41 GLN : amide:sc= -0.861 K(o=-0.86,f=-2.6!) USER MOD Single : A 48 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.028) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.74 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.448 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= -0.0868 (180deg=-0.383) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -45.791 15.181 16.221 1.00 0.00 N ATOM 2 CA GLY A 1 -44.800 15.032 17.270 1.00 0.00 C ATOM 3 C GLY A 1 -44.070 13.705 17.194 1.00 0.00 C ATOM 4 O GLY A 1 -44.677 12.646 17.352 1.00 0.00 O ATOM 0 H1 GLY A 1 -46.262 16.103 16.317 1.00 0.00 H new ATOM 0 H2 GLY A 1 -45.325 15.124 15.293 1.00 0.00 H new ATOM 0 H3 GLY A 1 -46.498 14.422 16.301 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -44.077 15.845 17.201 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -45.287 15.120 18.241 1.00 0.00 H new ATOM 8 N SER A 2 -42.765 13.762 16.951 1.00 0.00 N ATOM 9 CA SER A 2 -41.953 12.556 16.849 1.00 0.00 C ATOM 10 C SER A 2 -40.492 12.856 17.168 1.00 0.00 C ATOM 11 O SER A 2 -40.039 13.994 17.048 1.00 0.00 O ATOM 12 CB SER A 2 -42.067 11.956 15.446 1.00 0.00 C ATOM 13 OG SER A 2 -43.053 12.629 14.682 1.00 0.00 O ATOM 0 H SER A 2 -42.247 14.631 16.821 1.00 0.00 H new ATOM 0 HA SER A 2 -42.325 11.835 17.577 1.00 0.00 H new ATOM 0 HB2 SER A 2 -41.104 12.021 14.940 1.00 0.00 H new ATOM 0 HB3 SER A 2 -42.318 10.898 15.519 1.00 0.00 H new ATOM 0 HG SER A 2 -43.105 12.228 13.789 1.00 0.00 H new ATOM 19 N SER A 3 -39.758 11.825 17.576 1.00 0.00 N ATOM 20 CA SER A 3 -38.348 11.977 17.917 1.00 0.00 C ATOM 21 C SER A 3 -37.580 10.689 17.638 1.00 0.00 C ATOM 22 O SER A 3 -37.985 9.607 18.060 1.00 0.00 O ATOM 23 CB SER A 3 -38.197 12.366 19.389 1.00 0.00 C ATOM 24 OG SER A 3 -38.997 11.543 20.219 1.00 0.00 O ATOM 0 H SER A 3 -40.117 10.876 17.678 1.00 0.00 H new ATOM 0 HA SER A 3 -37.932 12.769 17.295 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.152 12.280 19.686 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.482 13.410 19.524 1.00 0.00 H new ATOM 0 HG SER A 3 -39.007 10.630 19.862 1.00 0.00 H new ATOM 30 N GLY A 4 -36.466 10.815 16.923 1.00 0.00 N ATOM 31 CA GLY A 4 -35.657 9.655 16.598 1.00 0.00 C ATOM 32 C GLY A 4 -34.234 10.024 16.231 1.00 0.00 C ATOM 33 O GLY A 4 -33.960 10.417 15.097 1.00 0.00 O ATOM 0 H GLY A 4 -36.109 11.700 16.563 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.644 8.975 17.450 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -36.115 9.118 15.768 1.00 0.00 H new ATOM 37 N SER A 5 -33.325 9.899 17.193 1.00 0.00 N ATOM 38 CA SER A 5 -31.922 10.228 16.967 1.00 0.00 C ATOM 39 C SER A 5 -31.241 9.153 16.125 1.00 0.00 C ATOM 40 O SER A 5 -31.508 7.962 16.284 1.00 0.00 O ATOM 41 CB SER A 5 -31.192 10.385 18.301 1.00 0.00 C ATOM 42 OG SER A 5 -32.005 9.961 19.381 1.00 0.00 O ATOM 0 H SER A 5 -33.535 9.572 18.136 1.00 0.00 H new ATOM 0 HA SER A 5 -31.879 11.172 16.424 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.270 9.803 18.285 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.908 11.428 18.443 1.00 0.00 H new ATOM 0 HG SER A 5 -31.514 10.070 20.222 1.00 0.00 H new ATOM 48 N SER A 6 -30.359 9.583 15.228 1.00 0.00 N ATOM 49 CA SER A 6 -29.642 8.659 14.358 1.00 0.00 C ATOM 50 C SER A 6 -28.331 9.273 13.877 1.00 0.00 C ATOM 51 O SER A 6 -28.316 10.094 12.961 1.00 0.00 O ATOM 52 CB SER A 6 -30.510 8.278 13.157 1.00 0.00 C ATOM 53 OG SER A 6 -29.913 7.234 12.407 1.00 0.00 O ATOM 0 H SER A 6 -30.124 10.565 15.085 1.00 0.00 H new ATOM 0 HA SER A 6 -29.414 7.761 14.932 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.496 7.965 13.501 1.00 0.00 H new ATOM 0 HB3 SER A 6 -30.657 9.150 12.519 1.00 0.00 H new ATOM 0 HG SER A 6 -30.488 7.008 11.646 1.00 0.00 H new ATOM 59 N GLY A 7 -27.230 8.868 14.503 1.00 0.00 N ATOM 60 CA GLY A 7 -25.928 9.387 14.126 1.00 0.00 C ATOM 61 C GLY A 7 -25.049 8.336 13.480 1.00 0.00 C ATOM 62 O GLY A 7 -24.371 7.574 14.170 1.00 0.00 O ATOM 0 H GLY A 7 -27.217 8.190 15.265 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.059 10.221 13.436 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.427 9.781 15.011 1.00 0.00 H new ATOM 66 N ARG A 8 -25.060 8.292 12.152 1.00 0.00 N ATOM 67 CA ARG A 8 -24.260 7.323 11.412 1.00 0.00 C ATOM 68 C ARG A 8 -23.233 8.027 10.530 1.00 0.00 C ATOM 69 O ARG A 8 -22.865 7.526 9.468 1.00 0.00 O ATOM 70 CB ARG A 8 -25.161 6.434 10.554 1.00 0.00 C ATOM 71 CG ARG A 8 -24.741 4.973 10.541 1.00 0.00 C ATOM 72 CD ARG A 8 -25.684 4.130 9.697 1.00 0.00 C ATOM 73 NE ARG A 8 -25.934 2.822 10.298 1.00 0.00 N ATOM 74 CZ ARG A 8 -26.594 1.846 9.685 1.00 0.00 C ATOM 75 NH1 ARG A 8 -27.067 2.028 8.460 1.00 0.00 N ATOM 76 NH2 ARG A 8 -26.781 0.683 10.297 1.00 0.00 N ATOM 0 H ARG A 8 -25.614 8.916 11.566 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.729 6.701 12.133 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -26.184 6.506 10.922 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -25.163 6.812 9.532 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -23.727 4.888 10.150 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.723 4.589 11.561 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.629 4.658 9.572 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -25.259 3.997 8.702 1.00 0.00 H new ATOM 0 HE ARG A 8 -25.582 2.649 11.240 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -26.924 2.920 7.986 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -27.573 1.276 7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -26.418 0.538 11.239 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -27.288 -0.066 9.825 1.00 0.00 H new ATOM 90 N ASN A 9 -22.775 9.192 10.977 1.00 0.00 N ATOM 91 CA ASN A 9 -21.792 9.966 10.228 1.00 0.00 C ATOM 92 C ASN A 9 -20.403 9.819 10.841 1.00 0.00 C ATOM 93 O ASN A 9 -20.209 10.068 12.031 1.00 0.00 O ATOM 94 CB ASN A 9 -22.193 11.442 10.193 1.00 0.00 C ATOM 95 CG ASN A 9 -21.344 12.249 9.230 1.00 0.00 C ATOM 96 OD1 ASN A 9 -21.772 12.561 8.119 1.00 0.00 O ATOM 97 ND2 ASN A 9 -20.132 12.590 9.653 1.00 0.00 N ATOM 0 H ASN A 9 -23.069 9.621 11.855 1.00 0.00 H new ATOM 0 HA ASN A 9 -21.763 9.581 9.209 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -23.241 11.524 9.906 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -22.103 11.864 11.194 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -19.515 13.132 9.049 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.819 12.310 10.582 1.00 0.00 H new ATOM 104 N ASP A 10 -19.440 9.415 10.021 1.00 0.00 N ATOM 105 CA ASP A 10 -18.067 9.237 10.481 1.00 0.00 C ATOM 106 C ASP A 10 -17.075 9.529 9.360 1.00 0.00 C ATOM 107 O ASP A 10 -17.067 8.852 8.331 1.00 0.00 O ATOM 108 CB ASP A 10 -17.862 7.814 11.002 1.00 0.00 C ATOM 109 CG ASP A 10 -18.651 7.541 12.268 1.00 0.00 C ATOM 110 OD1 ASP A 10 -18.223 8.004 13.346 1.00 0.00 O ATOM 111 OD2 ASP A 10 -19.698 6.866 12.180 1.00 0.00 O ATOM 0 H ASP A 10 -19.584 9.204 9.033 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.888 9.943 11.292 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.159 7.102 10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.802 7.650 11.196 1.00 0.00 H new ATOM 116 N THR A 11 -16.240 10.543 9.564 1.00 0.00 N ATOM 117 CA THR A 11 -15.246 10.927 8.570 1.00 0.00 C ATOM 118 C THR A 11 -14.001 11.505 9.233 1.00 0.00 C ATOM 119 O THR A 11 -13.999 11.788 10.430 1.00 0.00 O ATOM 120 CB THR A 11 -15.813 11.961 7.579 1.00 0.00 C ATOM 121 OG1 THR A 11 -16.595 12.935 8.280 1.00 0.00 O ATOM 122 CG2 THR A 11 -16.669 11.283 6.520 1.00 0.00 C ATOM 0 H THR A 11 -16.233 11.113 10.410 1.00 0.00 H new ATOM 0 HA THR A 11 -14.977 10.022 8.025 1.00 0.00 H new ATOM 0 HB THR A 11 -14.976 12.455 7.086 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.950 13.589 7.643 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.058 12.033 5.832 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.063 10.564 5.968 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.499 10.765 7.000 1.00 0.00 H new ATOM 130 N GLU A 12 -12.943 11.677 8.446 1.00 0.00 N ATOM 131 CA GLU A 12 -11.691 12.221 8.958 1.00 0.00 C ATOM 132 C GLU A 12 -11.124 11.334 10.063 1.00 0.00 C ATOM 133 O GLU A 12 -11.704 10.303 10.406 1.00 0.00 O ATOM 134 CB GLU A 12 -11.905 13.641 9.488 1.00 0.00 C ATOM 135 CG GLU A 12 -11.152 14.702 8.705 1.00 0.00 C ATOM 136 CD GLU A 12 -10.791 15.907 9.553 1.00 0.00 C ATOM 137 OE1 GLU A 12 -11.646 16.351 10.347 1.00 0.00 O ATOM 138 OE2 GLU A 12 -9.653 16.404 9.421 1.00 0.00 O ATOM 0 H GLU A 12 -12.928 11.448 7.452 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.975 12.251 8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.970 13.872 9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.593 13.681 10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.242 14.267 8.293 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.761 15.026 7.861 1.00 0.00 H new ATOM 145 N CYS A 13 -9.987 11.742 10.616 1.00 0.00 N ATOM 146 CA CYS A 13 -9.340 10.986 11.681 1.00 0.00 C ATOM 147 C CYS A 13 -9.403 11.745 13.003 1.00 0.00 C ATOM 148 O CYS A 13 -8.996 12.904 13.086 1.00 0.00 O ATOM 149 CB CYS A 13 -7.882 10.696 11.316 1.00 0.00 C ATOM 150 SG CYS A 13 -7.087 9.441 12.369 1.00 0.00 S ATOM 0 H CYS A 13 -9.494 12.593 10.344 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.873 10.043 11.798 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.837 10.365 10.278 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.312 11.623 11.380 1.00 0.00 H new ATOM 155 N ASP A 14 -9.916 11.083 14.034 1.00 0.00 N ATOM 156 CA ASP A 14 -10.032 11.694 15.354 1.00 0.00 C ATOM 157 C ASP A 14 -8.799 11.396 16.201 1.00 0.00 C ATOM 158 O ASP A 14 -8.438 12.173 17.086 1.00 0.00 O ATOM 159 CB ASP A 14 -11.288 11.189 16.064 1.00 0.00 C ATOM 160 CG ASP A 14 -12.563 11.683 15.408 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.905 12.870 15.595 1.00 0.00 O ATOM 162 OD2 ASP A 14 -13.217 10.883 14.708 1.00 0.00 O ATOM 0 H ASP A 14 -10.258 10.124 13.982 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.108 12.773 15.222 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.285 10.099 16.070 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.269 11.514 17.104 1.00 0.00 H new ATOM 167 N LEU A 15 -8.157 10.266 15.925 1.00 0.00 N ATOM 168 CA LEU A 15 -6.964 9.864 16.662 1.00 0.00 C ATOM 169 C LEU A 15 -5.931 10.987 16.681 1.00 0.00 C ATOM 170 O LEU A 15 -5.236 11.188 17.677 1.00 0.00 O ATOM 171 CB LEU A 15 -6.355 8.606 16.039 1.00 0.00 C ATOM 172 CG LEU A 15 -7.159 7.317 16.209 1.00 0.00 C ATOM 173 CD1 LEU A 15 -7.697 6.842 14.868 1.00 0.00 C ATOM 174 CD2 LEU A 15 -6.304 6.237 16.855 1.00 0.00 C ATOM 0 H LEU A 15 -8.443 9.612 15.196 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.258 9.648 17.689 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.214 8.785 14.973 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.366 8.453 16.471 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.005 7.523 16.864 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.266 5.923 15.009 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.345 7.609 14.444 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.866 6.653 14.189 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.892 5.326 16.968 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.438 6.033 16.225 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.968 6.576 17.835 1.00 0.00 H new ATOM 186 N CYS A 16 -5.838 11.716 15.574 1.00 0.00 N ATOM 187 CA CYS A 16 -4.892 12.820 15.463 1.00 0.00 C ATOM 188 C CYS A 16 -5.613 14.122 15.124 1.00 0.00 C ATOM 189 O CYS A 16 -5.230 15.195 15.588 1.00 0.00 O ATOM 190 CB CYS A 16 -3.841 12.513 14.395 1.00 0.00 C ATOM 191 SG CYS A 16 -4.537 12.096 12.765 1.00 0.00 S ATOM 0 H CYS A 16 -6.406 11.562 14.741 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.397 12.940 16.427 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.185 13.377 14.288 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.223 11.683 14.737 1.00 0.00 H new ATOM 196 N GLY A 17 -6.660 14.018 14.311 1.00 0.00 N ATOM 197 CA GLY A 17 -7.417 15.193 13.923 1.00 0.00 C ATOM 198 C GLY A 17 -7.189 15.579 12.475 1.00 0.00 C ATOM 199 O GLY A 17 -8.040 16.212 11.852 1.00 0.00 O ATOM 0 H GLY A 17 -6.997 13.141 13.914 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.479 15.006 14.083 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.140 16.028 14.566 1.00 0.00 H new ATOM 203 N GLY A 18 -6.034 15.198 11.938 1.00 0.00 N ATOM 204 CA GLY A 18 -5.716 15.519 10.559 1.00 0.00 C ATOM 205 C GLY A 18 -4.595 16.533 10.443 1.00 0.00 C ATOM 206 O GLY A 18 -4.778 17.608 9.872 1.00 0.00 O ATOM 0 H GLY A 18 -5.313 14.673 12.433 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.433 14.607 10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.606 15.908 10.065 1.00 0.00 H new ATOM 210 N ASP A 19 -3.432 16.191 10.987 1.00 0.00 N ATOM 211 CA ASP A 19 -2.277 17.080 10.943 1.00 0.00 C ATOM 212 C ASP A 19 -0.977 16.287 11.035 1.00 0.00 C ATOM 213 O ASP A 19 -0.934 15.178 11.568 1.00 0.00 O ATOM 214 CB ASP A 19 -2.348 18.101 12.080 1.00 0.00 C ATOM 215 CG ASP A 19 -2.741 19.482 11.594 1.00 0.00 C ATOM 216 OD1 ASP A 19 -2.151 19.951 10.599 1.00 0.00 O ATOM 217 OD2 ASP A 19 -3.639 20.095 12.210 1.00 0.00 O ATOM 0 H ASP A 19 -3.264 15.305 11.463 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.293 17.608 9.990 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.069 17.762 12.824 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.379 18.156 12.576 1.00 0.00 H new ATOM 222 N PRO A 20 0.109 16.867 10.503 1.00 0.00 N ATOM 223 CA PRO A 20 1.430 16.231 10.512 1.00 0.00 C ATOM 224 C PRO A 20 2.031 16.165 11.912 1.00 0.00 C ATOM 225 O PRO A 20 2.520 15.118 12.337 1.00 0.00 O ATOM 226 CB PRO A 20 2.269 17.143 9.613 1.00 0.00 C ATOM 227 CG PRO A 20 1.599 18.472 9.691 1.00 0.00 C ATOM 228 CD PRO A 20 0.131 18.187 9.851 1.00 0.00 C ATOM 0 HA PRO A 20 1.387 15.196 10.171 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.301 17.199 9.959 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.296 16.773 8.588 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.978 19.051 10.533 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.787 19.057 8.791 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.361 18.945 10.461 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.382 18.169 8.889 1.00 0.00 H new ATOM 236 N GLU A 21 1.992 17.287 12.622 1.00 0.00 N ATOM 237 CA GLU A 21 2.533 17.355 13.974 1.00 0.00 C ATOM 238 C GLU A 21 1.901 16.291 14.867 1.00 0.00 C ATOM 239 O GLU A 21 2.599 15.477 15.472 1.00 0.00 O ATOM 240 CB GLU A 21 2.300 18.743 14.573 1.00 0.00 C ATOM 241 CG GLU A 21 2.995 19.859 13.810 1.00 0.00 C ATOM 242 CD GLU A 21 3.061 21.152 14.600 1.00 0.00 C ATOM 243 OE1 GLU A 21 2.980 21.091 15.845 1.00 0.00 O ATOM 244 OE2 GLU A 21 3.193 22.224 13.974 1.00 0.00 O ATOM 0 H GLU A 21 1.591 18.162 12.284 1.00 0.00 H new ATOM 0 HA GLU A 21 3.605 17.168 13.918 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.229 18.944 14.598 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.650 18.747 15.605 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.006 19.543 13.552 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.468 20.037 12.873 1.00 0.00 H new ATOM 251 N LYS A 22 0.575 16.305 14.946 1.00 0.00 N ATOM 252 CA LYS A 22 -0.154 15.343 15.764 1.00 0.00 C ATOM 253 C LYS A 22 0.150 13.915 15.324 1.00 0.00 C ATOM 254 O LYS A 22 -0.414 13.421 14.347 1.00 0.00 O ATOM 255 CB LYS A 22 -1.659 15.605 15.676 1.00 0.00 C ATOM 256 CG LYS A 22 -2.056 17.014 16.085 1.00 0.00 C ATOM 257 CD LYS A 22 -3.133 17.001 17.156 1.00 0.00 C ATOM 258 CE LYS A 22 -2.550 17.262 18.536 1.00 0.00 C ATOM 259 NZ LYS A 22 -3.556 17.855 19.460 1.00 0.00 N ATOM 0 H LYS A 22 -0.018 16.973 14.453 1.00 0.00 H new ATOM 0 HA LYS A 22 0.170 15.463 16.798 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.992 15.425 14.654 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.182 14.890 16.312 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.180 17.547 16.455 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.416 17.559 15.213 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.884 17.758 16.928 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.641 16.037 17.151 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.178 16.327 18.956 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.697 17.934 18.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.120 18.018 20.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.893 18.759 19.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.359 17.202 19.564 1.00 0.00 H new ATOM 273 N LYS A 23 1.044 13.254 16.052 1.00 0.00 N ATOM 274 CA LYS A 23 1.421 11.881 15.739 1.00 0.00 C ATOM 275 C LYS A 23 0.218 10.949 15.839 1.00 0.00 C ATOM 276 O LYS A 23 -0.586 11.054 16.766 1.00 0.00 O ATOM 277 CB LYS A 23 2.527 11.406 16.685 1.00 0.00 C ATOM 278 CG LYS A 23 3.655 10.671 15.982 1.00 0.00 C ATOM 279 CD LYS A 23 4.932 11.494 15.967 1.00 0.00 C ATOM 280 CE LYS A 23 5.946 10.968 16.972 1.00 0.00 C ATOM 281 NZ LYS A 23 5.679 11.476 18.346 1.00 0.00 N ATOM 0 H LYS A 23 1.521 13.648 16.863 1.00 0.00 H new ATOM 0 HA LYS A 23 1.792 11.858 14.714 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.938 12.268 17.211 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.092 10.750 17.439 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.839 9.721 16.483 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.358 10.440 14.959 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.366 11.476 14.967 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.699 12.534 16.194 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.921 9.878 16.976 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.949 11.263 16.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.391 11.095 19.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.727 12.515 18.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.732 11.173 18.650 1.00 0.00 H new ATOM 295 N CYS A 24 0.100 10.037 14.880 1.00 0.00 N ATOM 296 CA CYS A 24 -1.005 9.086 14.860 1.00 0.00 C ATOM 297 C CYS A 24 -0.490 7.657 14.716 1.00 0.00 C ATOM 298 O CYS A 24 0.586 7.426 14.164 1.00 0.00 O ATOM 299 CB CYS A 24 -1.965 9.412 13.714 1.00 0.00 C ATOM 300 SG CYS A 24 -3.641 8.732 13.932 1.00 0.00 S ATOM 0 H CYS A 24 0.757 9.936 14.106 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.539 9.167 15.807 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.035 10.495 13.609 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.547 9.028 12.784 1.00 0.00 H new ATOM 305 N HIS A 25 -1.266 6.701 15.216 1.00 0.00 N ATOM 306 CA HIS A 25 -0.889 5.294 15.143 1.00 0.00 C ATOM 307 C HIS A 25 -1.513 4.627 13.921 1.00 0.00 C ATOM 308 O HIS A 25 -0.967 3.665 13.381 1.00 0.00 O ATOM 309 CB HIS A 25 -1.322 4.562 16.414 1.00 0.00 C ATOM 310 CG HIS A 25 -0.179 4.178 17.303 1.00 0.00 C ATOM 311 ND1 HIS A 25 0.972 3.581 16.833 1.00 0.00 N ATOM 312 CD2 HIS A 25 -0.013 4.311 18.639 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.795 3.362 17.843 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.221 3.796 18.950 1.00 0.00 N ATOM 0 H HIS A 25 -2.160 6.875 15.676 1.00 0.00 H new ATOM 0 HA HIS A 25 0.196 5.238 15.052 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.009 5.197 16.973 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.873 3.664 16.136 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.720 4.742 19.332 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.771 2.906 17.775 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.628 3.755 19.884 1.00 0.00 H new ATOM 322 N SER A 26 -2.659 5.145 13.490 1.00 0.00 N ATOM 323 CA SER A 26 -3.359 4.597 12.334 1.00 0.00 C ATOM 324 C SER A 26 -2.813 5.189 11.038 1.00 0.00 C ATOM 325 O SER A 26 -2.356 4.463 10.155 1.00 0.00 O ATOM 326 CB SER A 26 -4.860 4.873 12.442 1.00 0.00 C ATOM 327 OG SER A 26 -5.551 4.385 11.306 1.00 0.00 O ATOM 0 H SER A 26 -3.122 5.943 13.924 1.00 0.00 H new ATOM 0 HA SER A 26 -3.196 3.519 12.318 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.256 4.402 13.342 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.030 5.945 12.542 1.00 0.00 H new ATOM 0 HG SER A 26 -6.508 4.572 11.400 1.00 0.00 H new ATOM 333 N CYS A 27 -2.866 6.512 10.931 1.00 0.00 N ATOM 334 CA CYS A 27 -2.379 7.204 9.744 1.00 0.00 C ATOM 335 C CYS A 27 -0.946 6.788 9.422 1.00 0.00 C ATOM 336 O CYS A 27 -0.531 6.803 8.263 1.00 0.00 O ATOM 337 CB CYS A 27 -2.447 8.719 9.947 1.00 0.00 C ATOM 338 SG CYS A 27 -4.135 9.360 10.195 1.00 0.00 S ATOM 0 H CYS A 27 -3.242 7.127 11.653 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.018 6.927 8.905 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.837 8.987 10.810 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.006 9.211 9.080 1.00 0.00 H new ATOM 343 N SER A 28 -0.197 6.416 10.455 1.00 0.00 N ATOM 344 CA SER A 28 1.189 5.999 10.282 1.00 0.00 C ATOM 345 C SER A 28 1.414 4.606 10.864 1.00 0.00 C ATOM 346 O SER A 28 0.464 3.910 11.224 1.00 0.00 O ATOM 347 CB SER A 28 2.133 7.001 10.951 1.00 0.00 C ATOM 348 OG SER A 28 2.319 6.690 12.321 1.00 0.00 O ATOM 0 H SER A 28 -0.527 6.395 11.420 1.00 0.00 H new ATOM 0 HA SER A 28 1.402 5.967 9.213 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.096 6.996 10.440 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.727 8.008 10.855 1.00 0.00 H new ATOM 0 HG SER A 28 3.187 6.251 12.442 1.00 0.00 H new ATOM 354 N CYS A 29 2.678 4.205 10.951 1.00 0.00 N ATOM 355 CA CYS A 29 3.030 2.896 11.488 1.00 0.00 C ATOM 356 C CYS A 29 2.389 2.679 12.856 1.00 0.00 C ATOM 357 O CYS A 29 2.524 3.509 13.755 1.00 0.00 O ATOM 358 CB CYS A 29 4.549 2.758 11.596 1.00 0.00 C ATOM 359 SG CYS A 29 5.126 1.045 11.824 1.00 0.00 S ATOM 0 H CYS A 29 3.476 4.768 10.656 1.00 0.00 H new ATOM 0 HA CYS A 29 2.651 2.136 10.804 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.005 3.167 10.694 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.899 3.362 12.433 1.00 0.00 H new ATOM 364 N ARG A 30 1.692 1.557 13.005 1.00 0.00 N ATOM 365 CA ARG A 30 1.030 1.230 14.262 1.00 0.00 C ATOM 366 C ARG A 30 1.923 0.354 15.135 1.00 0.00 C ATOM 367 O ARG A 30 1.728 0.263 16.347 1.00 0.00 O ATOM 368 CB ARG A 30 -0.297 0.518 13.994 1.00 0.00 C ATOM 369 CG ARG A 30 -1.378 0.840 15.014 1.00 0.00 C ATOM 370 CD ARG A 30 -2.664 1.290 14.339 1.00 0.00 C ATOM 371 NE ARG A 30 -3.497 2.093 15.230 1.00 0.00 N ATOM 372 CZ ARG A 30 -4.134 1.599 16.286 1.00 0.00 C ATOM 373 NH1 ARG A 30 -4.032 0.310 16.582 1.00 0.00 N ATOM 374 NH2 ARG A 30 -4.873 2.394 17.048 1.00 0.00 N ATOM 0 H ARG A 30 1.571 0.859 12.271 1.00 0.00 H new ATOM 0 HA ARG A 30 0.834 2.161 14.793 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.653 0.793 13.001 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.127 -0.559 13.985 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.576 -0.040 15.626 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.025 1.623 15.685 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.422 1.870 13.448 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.225 0.416 14.008 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.595 3.088 15.030 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.464 -0.304 15.998 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.522 -0.067 17.393 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.953 3.386 16.824 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.362 2.014 17.859 1.00 0.00 H new ATOM 388 N VAL A 31 2.904 -0.290 14.511 1.00 0.00 N ATOM 389 CA VAL A 31 3.827 -1.159 15.230 1.00 0.00 C ATOM 390 C VAL A 31 4.770 -0.349 16.112 1.00 0.00 C ATOM 391 O VAL A 31 4.631 -0.330 17.336 1.00 0.00 O ATOM 392 CB VAL A 31 4.660 -2.018 14.260 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.651 -2.881 15.027 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.751 -2.878 13.395 1.00 0.00 C ATOM 0 H VAL A 31 3.080 -0.226 13.508 1.00 0.00 H new ATOM 0 HA VAL A 31 3.222 -1.815 15.856 1.00 0.00 H new ATOM 0 HB VAL A 31 5.224 -1.353 13.606 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.230 -3.481 14.325 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.323 -2.242 15.599 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.110 -3.539 15.707 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.356 -3.478 12.716 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.159 -3.536 14.031 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.085 -2.237 12.817 1.00 0.00 H new ATOM 404 N CYS A 32 5.731 0.321 15.484 1.00 0.00 N ATOM 405 CA CYS A 32 6.698 1.134 16.210 1.00 0.00 C ATOM 406 C CYS A 32 6.086 2.470 16.622 1.00 0.00 C ATOM 407 O CYS A 32 6.522 3.093 17.588 1.00 0.00 O ATOM 408 CB CYS A 32 7.942 1.373 15.352 1.00 0.00 C ATOM 409 SG CYS A 32 7.678 2.526 13.966 1.00 0.00 S ATOM 0 H CYS A 32 5.860 0.316 14.472 1.00 0.00 H new ATOM 0 HA CYS A 32 6.985 0.593 17.111 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.739 1.761 15.986 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.286 0.418 14.956 1.00 0.00 H new ATOM 414 N GLY A 33 5.071 2.903 15.880 1.00 0.00 N ATOM 415 CA GLY A 33 4.415 4.161 16.183 1.00 0.00 C ATOM 416 C GLY A 33 5.160 5.354 15.618 1.00 0.00 C ATOM 417 O GLY A 33 5.242 6.403 16.256 1.00 0.00 O ATOM 0 H GLY A 33 4.692 2.405 15.075 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.402 4.145 15.781 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.327 4.270 17.264 1.00 0.00 H new ATOM 421 N GLY A 34 5.707 5.194 14.416 1.00 0.00 N ATOM 422 CA GLY A 34 6.444 6.274 13.787 1.00 0.00 C ATOM 423 C GLY A 34 5.668 6.925 12.658 1.00 0.00 C ATOM 424 O GLY A 34 4.865 6.273 11.990 1.00 0.00 O ATOM 0 H GLY A 34 5.653 4.336 13.867 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.690 7.027 14.536 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.388 5.889 13.400 1.00 0.00 H new ATOM 428 N LYS A 35 5.906 8.214 12.445 1.00 0.00 N ATOM 429 CA LYS A 35 5.224 8.955 11.390 1.00 0.00 C ATOM 430 C LYS A 35 6.222 9.482 10.364 1.00 0.00 C ATOM 431 O LYS A 35 6.067 10.588 9.844 1.00 0.00 O ATOM 432 CB LYS A 35 4.428 10.117 11.987 1.00 0.00 C ATOM 433 CG LYS A 35 3.370 10.673 11.050 1.00 0.00 C ATOM 434 CD LYS A 35 2.255 11.366 11.817 1.00 0.00 C ATOM 435 CE LYS A 35 0.985 11.465 10.985 1.00 0.00 C ATOM 436 NZ LYS A 35 0.029 12.458 11.550 1.00 0.00 N ATOM 0 H LYS A 35 6.567 8.768 12.989 1.00 0.00 H new ATOM 0 HA LYS A 35 4.538 8.274 10.887 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.948 9.783 12.907 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.117 10.917 12.259 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.830 11.378 10.358 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.952 9.864 10.450 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.048 10.817 12.736 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.579 12.365 12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.241 11.747 9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.506 10.487 10.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.945 12.161 11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.158 12.516 12.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.206 13.391 11.126 1.00 0.00 H new ATOM 450 N HIS A 36 7.246 8.685 10.076 1.00 0.00 N ATOM 451 CA HIS A 36 8.268 9.072 9.110 1.00 0.00 C ATOM 452 C HIS A 36 8.356 8.054 7.976 1.00 0.00 C ATOM 453 O HIS A 36 7.739 6.991 8.034 1.00 0.00 O ATOM 454 CB HIS A 36 9.626 9.205 9.798 1.00 0.00 C ATOM 455 CG HIS A 36 10.017 7.996 10.591 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.486 7.703 11.829 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.893 7.001 10.314 1.00 0.00 C ATOM 458 CE1 HIS A 36 10.018 6.581 12.280 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.875 6.135 11.379 1.00 0.00 N ATOM 0 H HIS A 36 7.390 7.767 10.498 1.00 0.00 H new ATOM 0 HA HIS A 36 7.988 10.037 8.688 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.389 9.397 9.044 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.606 10.072 10.459 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.494 6.906 9.422 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.791 6.109 13.224 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.433 5.285 11.461 1.00 0.00 H new ATOM 467 N GLU A 37 9.128 8.389 6.946 1.00 0.00 N ATOM 468 CA GLU A 37 9.295 7.504 5.799 1.00 0.00 C ATOM 469 C GLU A 37 7.943 7.136 5.194 1.00 0.00 C ATOM 470 O GLU A 37 7.533 5.975 5.188 1.00 0.00 O ATOM 471 CB GLU A 37 10.044 6.235 6.210 1.00 0.00 C ATOM 472 CG GLU A 37 11.555 6.394 6.211 1.00 0.00 C ATOM 473 CD GLU A 37 12.256 5.316 5.406 1.00 0.00 C ATOM 474 OE1 GLU A 37 11.833 4.144 5.492 1.00 0.00 O ATOM 475 OE2 GLU A 37 13.226 5.644 4.692 1.00 0.00 O ATOM 0 H GLU A 37 9.646 9.265 6.883 1.00 0.00 H new ATOM 0 HA GLU A 37 9.879 8.034 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.718 5.937 7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.773 5.427 5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.814 7.372 5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.918 6.369 7.238 1.00 0.00 H new ATOM 482 N PRO A 38 7.232 8.148 4.674 1.00 0.00 N ATOM 483 CA PRO A 38 5.916 7.956 4.058 1.00 0.00 C ATOM 484 C PRO A 38 6.000 7.205 2.733 1.00 0.00 C ATOM 485 O PRO A 38 5.037 6.571 2.307 1.00 0.00 O ATOM 486 CB PRO A 38 5.419 9.386 3.831 1.00 0.00 C ATOM 487 CG PRO A 38 6.659 10.207 3.733 1.00 0.00 C ATOM 488 CD PRO A 38 7.660 9.557 4.648 1.00 0.00 C ATOM 0 HA PRO A 38 5.257 7.355 4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.823 9.458 2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.787 9.721 4.653 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.028 10.235 2.708 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.469 11.238 4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.677 9.661 4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.643 10.001 5.643 1.00 0.00 H new ATOM 496 N ASN A 39 7.159 7.281 2.088 1.00 0.00 N ATOM 497 CA ASN A 39 7.369 6.608 0.811 1.00 0.00 C ATOM 498 C ASN A 39 7.522 5.103 1.008 1.00 0.00 C ATOM 499 O ASN A 39 7.191 4.314 0.124 1.00 0.00 O ATOM 500 CB ASN A 39 8.607 7.171 0.111 1.00 0.00 C ATOM 501 CG ASN A 39 9.896 6.597 0.666 1.00 0.00 C ATOM 502 OD1 ASN A 39 10.157 6.676 1.867 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.710 6.016 -0.208 1.00 0.00 N ATOM 0 H ASN A 39 7.967 7.802 2.428 1.00 0.00 H new ATOM 0 HA ASN A 39 6.494 6.787 0.186 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.547 6.957 -0.956 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.620 8.256 0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.592 5.612 0.107 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.453 5.973 -1.194 1.00 0.00 H new ATOM 510 N MET A 40 8.027 4.713 2.174 1.00 0.00 N ATOM 511 CA MET A 40 8.222 3.303 2.488 1.00 0.00 C ATOM 512 C MET A 40 7.088 2.778 3.363 1.00 0.00 C ATOM 513 O MET A 40 7.267 1.825 4.121 1.00 0.00 O ATOM 514 CB MET A 40 9.563 3.097 3.195 1.00 0.00 C ATOM 515 CG MET A 40 10.765 3.454 2.335 1.00 0.00 C ATOM 516 SD MET A 40 11.465 2.023 1.492 1.00 0.00 S ATOM 517 CE MET A 40 12.757 1.552 2.640 1.00 0.00 C ATOM 0 H MET A 40 8.308 5.354 2.916 1.00 0.00 H new ATOM 0 HA MET A 40 8.223 2.745 1.551 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.583 3.702 4.102 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.645 2.055 3.505 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.469 4.198 1.595 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.531 3.913 2.960 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.224 0.627 2.302 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.507 2.341 2.687 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.327 1.400 3.630 1.00 0.00 H new ATOM 527 N GLN A 41 5.921 3.406 3.251 1.00 0.00 N ATOM 528 CA GLN A 41 4.759 3.002 4.033 1.00 0.00 C ATOM 529 C GLN A 41 3.764 2.233 3.170 1.00 0.00 C ATOM 530 O GLN A 41 3.384 2.685 2.089 1.00 0.00 O ATOM 531 CB GLN A 41 4.080 4.227 4.647 1.00 0.00 C ATOM 532 CG GLN A 41 4.505 4.504 6.080 1.00 0.00 C ATOM 533 CD GLN A 41 3.778 5.688 6.686 1.00 0.00 C ATOM 534 OE1 GLN A 41 2.672 6.033 6.268 1.00 0.00 O ATOM 535 NE2 GLN A 41 4.397 6.319 7.677 1.00 0.00 N ATOM 0 H GLN A 41 5.756 4.196 2.627 1.00 0.00 H new ATOM 0 HA GLN A 41 5.101 2.346 4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.304 5.101 4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.000 4.086 4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.319 3.618 6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.579 4.689 6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.313 5.999 7.992 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.956 7.123 8.123 1.00 0.00 H new ATOM 544 N LEU A 42 3.344 1.069 3.654 1.00 0.00 N ATOM 545 CA LEU A 42 2.392 0.236 2.927 1.00 0.00 C ATOM 546 C LEU A 42 0.981 0.416 3.476 1.00 0.00 C ATOM 547 O LEU A 42 0.735 0.212 4.666 1.00 0.00 O ATOM 548 CB LEU A 42 2.802 -1.235 3.013 1.00 0.00 C ATOM 549 CG LEU A 42 4.303 -1.519 2.944 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.570 -3.010 3.080 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.887 -0.987 1.644 1.00 0.00 C ATOM 0 H LEU A 42 3.648 0.681 4.547 1.00 0.00 H new ATOM 0 HA LEU A 42 2.398 0.548 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.418 -1.644 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.313 -1.776 2.203 1.00 0.00 H new ATOM 0 HG LEU A 42 4.789 -1.006 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.643 -3.194 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.187 -3.362 4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.071 -3.544 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.956 -1.198 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.396 -1.471 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.728 0.090 1.587 1.00 0.00 H new ATOM 563 N LEU A 43 0.056 0.797 2.602 1.00 0.00 N ATOM 564 CA LEU A 43 -1.333 1.003 2.999 1.00 0.00 C ATOM 565 C LEU A 43 -2.162 -0.252 2.746 1.00 0.00 C ATOM 566 O LEU A 43 -1.968 -0.948 1.749 1.00 0.00 O ATOM 567 CB LEU A 43 -1.932 2.186 2.236 1.00 0.00 C ATOM 568 CG LEU A 43 -2.570 3.281 3.091 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.780 2.741 3.836 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.553 3.856 4.067 1.00 0.00 C ATOM 0 H LEU A 43 0.242 0.970 1.614 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.352 1.220 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.146 2.637 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.686 1.804 1.548 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.904 4.082 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.220 3.535 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.517 2.379 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.472 1.921 4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.024 4.634 4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.188 3.064 4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.717 4.282 3.512 1.00 0.00 H new ATOM 582 N CYS A 44 -3.090 -0.535 3.655 1.00 0.00 N ATOM 583 CA CYS A 44 -3.951 -1.705 3.531 1.00 0.00 C ATOM 584 C CYS A 44 -5.170 -1.393 2.668 1.00 0.00 C ATOM 585 O CYS A 44 -5.700 -0.283 2.701 1.00 0.00 O ATOM 586 CB CYS A 44 -4.400 -2.182 4.914 1.00 0.00 C ATOM 587 SG CYS A 44 -5.356 -3.732 4.891 1.00 0.00 S ATOM 0 H CYS A 44 -3.265 0.031 4.486 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.379 -2.498 3.049 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.520 -2.320 5.543 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.004 -1.402 5.377 1.00 0.00 H new ATOM 592 N ASP A 45 -5.610 -2.382 1.897 1.00 0.00 N ATOM 593 CA ASP A 45 -6.768 -2.215 1.026 1.00 0.00 C ATOM 594 C ASP A 45 -8.035 -2.729 1.702 1.00 0.00 C ATOM 595 O ASP A 45 -8.975 -3.158 1.034 1.00 0.00 O ATOM 596 CB ASP A 45 -6.547 -2.949 -0.297 1.00 0.00 C ATOM 597 CG ASP A 45 -6.696 -2.035 -1.498 1.00 0.00 C ATOM 598 OD1 ASP A 45 -6.319 -0.850 -1.391 1.00 0.00 O ATOM 599 OD2 ASP A 45 -7.190 -2.506 -2.544 1.00 0.00 O ATOM 0 H ASP A 45 -5.182 -3.307 1.858 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.891 -1.151 0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.551 -3.391 -0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.260 -3.769 -0.378 1.00 0.00 H new ATOM 604 N GLU A 46 -8.051 -2.684 3.031 1.00 0.00 N ATOM 605 CA GLU A 46 -9.203 -3.148 3.796 1.00 0.00 C ATOM 606 C GLU A 46 -9.503 -2.200 4.954 1.00 0.00 C ATOM 607 O GLU A 46 -10.605 -1.660 5.059 1.00 0.00 O ATOM 608 CB GLU A 46 -8.953 -4.560 4.329 1.00 0.00 C ATOM 609 CG GLU A 46 -10.200 -5.231 4.881 1.00 0.00 C ATOM 610 CD GLU A 46 -11.284 -5.398 3.834 1.00 0.00 C ATOM 611 OE1 GLU A 46 -11.154 -6.306 2.986 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.261 -4.622 3.862 1.00 0.00 O ATOM 0 H GLU A 46 -7.281 -2.332 3.599 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.067 -3.167 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.544 -5.175 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.197 -4.515 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.934 -6.209 5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.589 -4.640 5.710 1.00 0.00 H new ATOM 619 N CYS A 47 -8.516 -2.004 5.822 1.00 0.00 N ATOM 620 CA CYS A 47 -8.673 -1.124 6.973 1.00 0.00 C ATOM 621 C CYS A 47 -8.004 0.225 6.722 1.00 0.00 C ATOM 622 O CYS A 47 -8.223 1.184 7.460 1.00 0.00 O ATOM 623 CB CYS A 47 -8.079 -1.775 8.224 1.00 0.00 C ATOM 624 SG CYS A 47 -6.298 -2.137 8.099 1.00 0.00 S ATOM 0 H CYS A 47 -7.598 -2.443 5.750 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.739 -0.958 7.129 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.246 -1.117 9.077 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.614 -2.703 8.427 1.00 0.00 H new ATOM 629 N ASN A 48 -7.189 0.288 5.675 1.00 0.00 N ATOM 630 CA ASN A 48 -6.488 1.519 5.325 1.00 0.00 C ATOM 631 C ASN A 48 -5.517 1.924 6.430 1.00 0.00 C ATOM 632 O ASN A 48 -5.682 2.965 7.066 1.00 0.00 O ATOM 633 CB ASN A 48 -7.490 2.647 5.073 1.00 0.00 C ATOM 634 CG ASN A 48 -8.611 2.227 4.143 1.00 0.00 C ATOM 635 OD1 ASN A 48 -9.721 1.931 4.585 1.00 0.00 O ATOM 636 ND2 ASN A 48 -8.325 2.198 2.846 1.00 0.00 N ATOM 0 H ASN A 48 -6.997 -0.498 5.054 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.919 1.337 4.413 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.913 2.973 6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.969 3.504 4.646 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.039 1.922 2.172 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.391 2.452 2.524 1.00 0.00 H new ATOM 643 N VAL A 49 -4.502 1.093 6.653 1.00 0.00 N ATOM 644 CA VAL A 49 -3.503 1.365 7.680 1.00 0.00 C ATOM 645 C VAL A 49 -2.102 1.419 7.082 1.00 0.00 C ATOM 646 O VAL A 49 -1.746 0.601 6.234 1.00 0.00 O ATOM 647 CB VAL A 49 -3.535 0.299 8.790 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.081 -1.049 8.251 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.673 0.730 9.967 1.00 0.00 C ATOM 0 H VAL A 49 -4.351 0.227 6.136 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.748 2.335 8.112 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.562 0.195 9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.111 -1.789 9.051 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.744 -1.360 7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.063 -0.965 7.872 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.707 -0.035 10.742 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.644 0.864 9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.050 1.671 10.369 1.00 0.00 H new ATOM 659 N ALA A 50 -1.310 2.387 7.530 1.00 0.00 N ATOM 660 CA ALA A 50 0.054 2.546 7.042 1.00 0.00 C ATOM 661 C ALA A 50 1.042 1.776 7.912 1.00 0.00 C ATOM 662 O ALA A 50 1.103 1.976 9.125 1.00 0.00 O ATOM 663 CB ALA A 50 0.429 4.019 6.992 1.00 0.00 C ATOM 0 H ALA A 50 -1.590 3.073 8.231 1.00 0.00 H new ATOM 0 HA ALA A 50 0.102 2.136 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.450 4.122 6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.252 4.545 6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.357 4.447 7.992 1.00 0.00 H new ATOM 669 N TYR A 51 1.813 0.894 7.285 1.00 0.00 N ATOM 670 CA TYR A 51 2.796 0.092 8.003 1.00 0.00 C ATOM 671 C TYR A 51 4.146 0.119 7.291 1.00 0.00 C ATOM 672 O TYR A 51 4.217 0.011 6.066 1.00 0.00 O ATOM 673 CB TYR A 51 2.307 -1.351 8.138 1.00 0.00 C ATOM 674 CG TYR A 51 1.430 -1.582 9.348 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.939 -1.452 10.634 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.092 -1.928 9.204 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.141 -1.663 11.742 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.713 -2.139 10.307 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.184 -2.006 11.573 1.00 0.00 C ATOM 680 OH TYR A 51 -0.983 -2.216 12.675 1.00 0.00 O ATOM 0 H TYR A 51 1.776 0.717 6.281 1.00 0.00 H new ATOM 0 HA TYR A 51 2.921 0.521 8.997 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.752 -1.623 7.240 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.170 -2.015 8.193 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.976 -1.182 10.770 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.326 -2.034 8.214 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.553 -1.560 12.735 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.751 -2.407 10.178 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.889 -2.449 12.383 1.00 0.00 H new ATOM 690 N HIS A 52 5.215 0.262 8.068 1.00 0.00 N ATOM 691 CA HIS A 52 6.563 0.302 7.514 1.00 0.00 C ATOM 692 C HIS A 52 6.960 -1.060 6.952 1.00 0.00 C ATOM 693 O HIS A 52 6.349 -2.078 7.278 1.00 0.00 O ATOM 694 CB HIS A 52 7.565 0.736 8.584 1.00 0.00 C ATOM 695 CG HIS A 52 7.355 2.138 9.068 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.845 2.601 10.271 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.703 3.181 8.503 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.503 3.867 10.425 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.810 4.244 9.366 1.00 0.00 N ATOM 0 H HIS A 52 5.174 0.352 9.083 1.00 0.00 H new ATOM 0 HA HIS A 52 6.573 1.028 6.701 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.497 0.054 9.431 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.574 0.646 8.183 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.193 3.178 7.551 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.748 4.489 11.273 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.418 5.173 9.214 1.00 0.00 H new ATOM 707 N ILE A 53 7.984 -1.070 6.106 1.00 0.00 N ATOM 708 CA ILE A 53 8.461 -2.307 5.499 1.00 0.00 C ATOM 709 C ILE A 53 9.373 -3.070 6.453 1.00 0.00 C ATOM 710 O ILE A 53 9.661 -4.249 6.243 1.00 0.00 O ATOM 711 CB ILE A 53 9.222 -2.034 4.188 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.430 -1.134 4.452 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.296 -1.399 3.161 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.689 -1.590 3.748 1.00 0.00 C ATOM 0 H ILE A 53 8.500 -0.236 5.825 1.00 0.00 H new ATOM 0 HA ILE A 53 7.581 -2.911 5.279 1.00 0.00 H new ATOM 0 HB ILE A 53 9.580 -2.983 3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.193 -0.119 4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.617 -1.096 5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.848 -1.212 2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.464 -2.073 2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.911 -0.457 3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.504 -0.905 3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.951 -2.593 4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.520 -1.601 2.671 1.00 0.00 H new ATOM 726 N TYR A 54 9.823 -2.392 7.503 1.00 0.00 N ATOM 727 CA TYR A 54 10.704 -3.006 8.489 1.00 0.00 C ATOM 728 C TYR A 54 10.021 -3.090 9.851 1.00 0.00 C ATOM 729 O TYR A 54 10.681 -3.130 10.889 1.00 0.00 O ATOM 730 CB TYR A 54 12.005 -2.211 8.608 1.00 0.00 C ATOM 731 CG TYR A 54 11.796 -0.716 8.692 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.496 -0.104 9.903 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.897 0.085 7.561 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.303 1.261 9.985 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.708 1.451 7.634 1.00 0.00 C ATOM 736 CZ TYR A 54 11.410 2.035 8.848 1.00 0.00 C ATOM 737 OH TYR A 54 11.219 3.395 8.925 1.00 0.00 O ATOM 0 H TYR A 54 9.592 -1.417 7.693 1.00 0.00 H new ATOM 0 HA TYR A 54 10.934 -4.017 8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.545 -2.544 9.494 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.637 -2.433 7.748 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.412 -0.706 10.796 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.127 -0.369 6.608 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.070 1.720 10.934 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.793 2.059 6.745 1.00 0.00 H new ATOM 0 HH TYR A 54 11.331 3.792 8.036 1.00 0.00 H new ATOM 747 N CYS A 55 8.692 -3.118 9.838 1.00 0.00 N ATOM 748 CA CYS A 55 7.917 -3.198 11.070 1.00 0.00 C ATOM 749 C CYS A 55 6.785 -4.213 10.935 1.00 0.00 C ATOM 750 O CYS A 55 5.802 -4.165 11.676 1.00 0.00 O ATOM 751 CB CYS A 55 7.345 -1.825 11.428 1.00 0.00 C ATOM 752 SG CYS A 55 8.603 -0.601 11.919 1.00 0.00 S ATOM 0 H CYS A 55 8.130 -3.086 8.988 1.00 0.00 H new ATOM 0 HA CYS A 55 8.583 -3.526 11.868 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.792 -1.439 10.572 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.630 -1.942 12.242 1.00 0.00 H new ATOM 757 N LEU A 56 6.930 -5.130 9.985 1.00 0.00 N ATOM 758 CA LEU A 56 5.921 -6.157 9.753 1.00 0.00 C ATOM 759 C LEU A 56 6.230 -7.417 10.555 1.00 0.00 C ATOM 760 O LEU A 56 7.203 -7.461 11.308 1.00 0.00 O ATOM 761 CB LEU A 56 5.842 -6.495 8.263 1.00 0.00 C ATOM 762 CG LEU A 56 5.054 -5.514 7.393 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.155 -5.902 5.926 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.599 -5.460 7.834 1.00 0.00 C ATOM 0 H LEU A 56 7.737 -5.183 9.363 1.00 0.00 H new ATOM 0 HA LEU A 56 4.959 -5.766 10.083 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.857 -6.562 7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.394 -7.483 8.158 1.00 0.00 H new ATOM 0 HG LEU A 56 5.486 -4.521 7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.588 -5.193 5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.200 -5.888 5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.749 -6.904 5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.054 -4.757 7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.154 -6.451 7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.545 -5.133 8.873 1.00 0.00 H new ATOM 776 N ASN A 57 5.397 -8.439 10.388 1.00 0.00 N ATOM 777 CA ASN A 57 5.583 -9.700 11.096 1.00 0.00 C ATOM 778 C ASN A 57 5.090 -10.874 10.255 1.00 0.00 C ATOM 779 O ASN A 57 3.904 -11.206 10.243 1.00 0.00 O ATOM 780 CB ASN A 57 4.844 -9.671 12.435 1.00 0.00 C ATOM 781 CG ASN A 57 5.604 -10.394 13.530 1.00 0.00 C ATOM 782 OD1 ASN A 57 5.974 -11.558 13.380 1.00 0.00 O ATOM 783 ND2 ASN A 57 5.840 -9.704 14.640 1.00 0.00 N ATOM 0 H ASN A 57 4.587 -8.419 9.769 1.00 0.00 H new ATOM 0 HA ASN A 57 6.649 -9.831 11.280 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.679 -8.636 12.734 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.862 -10.129 12.315 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.347 -10.137 15.412 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.514 -8.741 14.721 1.00 0.00 H new ATOM 790 N PRO A 58 6.020 -11.517 9.534 1.00 0.00 N ATOM 791 CA PRO A 58 7.434 -11.130 9.539 1.00 0.00 C ATOM 792 C PRO A 58 7.672 -9.797 8.838 1.00 0.00 C ATOM 793 O PRO A 58 6.794 -9.256 8.165 1.00 0.00 O ATOM 794 CB PRO A 58 8.115 -12.267 8.773 1.00 0.00 C ATOM 795 CG PRO A 58 7.049 -12.824 7.894 1.00 0.00 C ATOM 796 CD PRO A 58 5.763 -12.673 8.657 1.00 0.00 C ATOM 0 HA PRO A 58 7.816 -10.991 10.550 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.959 -11.901 8.188 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.504 -13.025 9.453 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.005 -12.288 6.946 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.243 -13.871 7.660 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.919 -12.492 7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.529 -13.569 9.232 1.00 0.00 H new ATOM 804 N PRO A 59 8.888 -9.253 8.997 1.00 0.00 N ATOM 805 CA PRO A 59 9.270 -7.977 8.386 1.00 0.00 C ATOM 806 C PRO A 59 9.406 -8.077 6.870 1.00 0.00 C ATOM 807 O PRO A 59 9.138 -9.125 6.281 1.00 0.00 O ATOM 808 CB PRO A 59 10.627 -7.670 9.025 1.00 0.00 C ATOM 809 CG PRO A 59 11.172 -9.001 9.414 1.00 0.00 C ATOM 810 CD PRO A 59 9.983 -9.843 9.785 1.00 0.00 C ATOM 0 HA PRO A 59 8.519 -7.204 8.554 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.289 -7.161 8.324 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.518 -7.018 9.892 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.727 -9.451 8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.863 -8.910 10.252 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.139 -10.892 9.533 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.777 -9.799 10.855 1.00 0.00 H new ATOM 818 N LEU A 60 9.823 -6.982 6.244 1.00 0.00 N ATOM 819 CA LEU A 60 9.994 -6.947 4.796 1.00 0.00 C ATOM 820 C LEU A 60 11.327 -6.307 4.421 1.00 0.00 C ATOM 821 O LEU A 60 11.582 -5.147 4.744 1.00 0.00 O ATOM 822 CB LEU A 60 8.844 -6.176 4.145 1.00 0.00 C ATOM 823 CG LEU A 60 7.775 -7.023 3.455 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.655 -6.141 2.925 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.388 -7.843 2.329 1.00 0.00 C ATOM 0 H LEU A 60 10.049 -6.107 6.717 1.00 0.00 H new ATOM 0 HA LEU A 60 9.988 -7.973 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.360 -5.569 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.264 -5.488 3.411 1.00 0.00 H new ATOM 0 HG LEU A 60 7.353 -7.709 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.903 -6.761 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.197 -5.599 3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.061 -5.430 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.612 -8.440 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.837 -7.174 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.154 -8.503 2.735 1.00 0.00 H new ATOM 837 N ASP A 61 12.172 -7.070 3.737 1.00 0.00 N ATOM 838 CA ASP A 61 13.477 -6.577 3.314 1.00 0.00 C ATOM 839 C ASP A 61 13.339 -5.277 2.528 1.00 0.00 C ATOM 840 O ASP A 61 14.247 -4.446 2.516 1.00 0.00 O ATOM 841 CB ASP A 61 14.193 -7.628 2.464 1.00 0.00 C ATOM 842 CG ASP A 61 14.267 -8.977 3.152 1.00 0.00 C ATOM 843 OD1 ASP A 61 14.123 -9.019 4.391 1.00 0.00 O ATOM 844 OD2 ASP A 61 14.470 -9.990 2.451 1.00 0.00 O ATOM 0 H ASP A 61 11.976 -8.033 3.464 1.00 0.00 H new ATOM 0 HA ASP A 61 14.069 -6.379 4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.673 -7.737 1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 61 15.202 -7.283 2.238 1.00 0.00 H new ATOM 849 N LYS A 62 12.196 -5.107 1.872 1.00 0.00 N ATOM 850 CA LYS A 62 11.937 -3.909 1.083 1.00 0.00 C ATOM 851 C LYS A 62 10.453 -3.787 0.750 1.00 0.00 C ATOM 852 O LYS A 62 9.630 -4.554 1.248 1.00 0.00 O ATOM 853 CB LYS A 62 12.759 -3.935 -0.208 1.00 0.00 C ATOM 854 CG LYS A 62 12.422 -5.103 -1.120 1.00 0.00 C ATOM 855 CD LYS A 62 12.419 -4.686 -2.581 1.00 0.00 C ATOM 856 CE LYS A 62 12.877 -5.820 -3.485 1.00 0.00 C ATOM 857 NZ LYS A 62 13.933 -5.378 -4.437 1.00 0.00 N ATOM 0 H LYS A 62 11.434 -5.785 1.871 1.00 0.00 H new ATOM 0 HA LYS A 62 12.231 -3.043 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.598 -3.003 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.818 -3.977 0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.147 -5.903 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.444 -5.504 -0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.416 -4.372 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.073 -3.825 -2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.258 -6.639 -2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.024 -6.207 -4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.218 -6.179 -5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.562 -4.613 -5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.757 -5.032 -3.905 1.00 0.00 H new ATOM 871 N VAL A 63 10.119 -2.817 -0.096 1.00 0.00 N ATOM 872 CA VAL A 63 8.735 -2.597 -0.497 1.00 0.00 C ATOM 873 C VAL A 63 8.318 -3.570 -1.594 1.00 0.00 C ATOM 874 O VAL A 63 9.039 -3.791 -2.568 1.00 0.00 O ATOM 875 CB VAL A 63 8.518 -1.155 -0.994 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.063 -0.938 -1.383 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.950 -0.155 0.067 1.00 0.00 C ATOM 0 H VAL A 63 10.788 -2.172 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 63 8.119 -2.766 0.386 1.00 0.00 H new ATOM 0 HB VAL A 63 9.133 -0.998 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.928 0.086 -1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.792 -1.631 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.425 -1.113 -0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.790 0.858 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.363 -0.309 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.007 -0.296 0.291 1.00 0.00 H new ATOM 887 N PRO A 64 7.127 -4.166 -1.436 1.00 0.00 N ATOM 888 CA PRO A 64 6.587 -5.124 -2.405 1.00 0.00 C ATOM 889 C PRO A 64 6.190 -4.460 -3.718 1.00 0.00 C ATOM 890 O PRO A 64 6.393 -3.261 -3.903 1.00 0.00 O ATOM 891 CB PRO A 64 5.353 -5.688 -1.696 1.00 0.00 C ATOM 892 CG PRO A 64 4.944 -4.619 -0.741 1.00 0.00 C ATOM 893 CD PRO A 64 6.216 -3.949 -0.300 1.00 0.00 C ATOM 0 HA PRO A 64 7.321 -5.881 -2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.556 -5.911 -2.405 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.586 -6.617 -1.175 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.272 -3.905 -1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.409 -5.040 0.110 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.064 -2.888 -0.104 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.605 -4.390 0.617 1.00 0.00 H new ATOM 901 N GLU A 65 5.623 -5.248 -4.627 1.00 0.00 N ATOM 902 CA GLU A 65 5.198 -4.734 -5.924 1.00 0.00 C ATOM 903 C GLU A 65 4.209 -5.687 -6.589 1.00 0.00 C ATOM 904 O GLU A 65 4.092 -5.721 -7.813 1.00 0.00 O ATOM 905 CB GLU A 65 6.409 -4.521 -6.835 1.00 0.00 C ATOM 906 CG GLU A 65 6.164 -3.517 -7.949 1.00 0.00 C ATOM 907 CD GLU A 65 6.764 -2.157 -7.650 1.00 0.00 C ATOM 908 OE1 GLU A 65 7.896 -2.111 -7.126 1.00 0.00 O ATOM 909 OE2 GLU A 65 6.101 -1.139 -7.941 1.00 0.00 O ATOM 0 H GLU A 65 5.448 -6.243 -4.489 1.00 0.00 H new ATOM 0 HA GLU A 65 4.702 -3.777 -5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.252 -4.183 -6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.695 -5.477 -7.275 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.586 -3.900 -8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.091 -3.410 -8.107 1.00 0.00 H new ATOM 916 N GLU A 66 3.499 -6.459 -5.772 1.00 0.00 N ATOM 917 CA GLU A 66 2.521 -7.413 -6.281 1.00 0.00 C ATOM 918 C GLU A 66 1.196 -6.722 -6.588 1.00 0.00 C ATOM 919 O GLU A 66 1.109 -5.494 -6.581 1.00 0.00 O ATOM 920 CB GLU A 66 2.299 -8.539 -5.269 1.00 0.00 C ATOM 921 CG GLU A 66 3.587 -9.174 -4.773 1.00 0.00 C ATOM 922 CD GLU A 66 3.380 -10.583 -4.252 1.00 0.00 C ATOM 923 OE1 GLU A 66 3.449 -11.531 -5.062 1.00 0.00 O ATOM 924 OE2 GLU A 66 3.148 -10.737 -3.035 1.00 0.00 O ATOM 0 H GLU A 66 3.583 -6.442 -4.756 1.00 0.00 H new ATOM 0 HA GLU A 66 2.913 -7.837 -7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.746 -8.146 -4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.677 -9.309 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.314 -9.194 -5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.011 -8.556 -3.981 1.00 0.00 H new ATOM 931 N GLU A 67 0.168 -7.520 -6.858 1.00 0.00 N ATOM 932 CA GLU A 67 -1.153 -6.985 -7.170 1.00 0.00 C ATOM 933 C GLU A 67 -1.604 -5.993 -6.101 1.00 0.00 C ATOM 934 O GLU A 67 -2.039 -4.884 -6.413 1.00 0.00 O ATOM 935 CB GLU A 67 -2.172 -8.120 -7.291 1.00 0.00 C ATOM 936 CG GLU A 67 -2.706 -8.311 -8.700 1.00 0.00 C ATOM 937 CD GLU A 67 -3.115 -9.744 -8.980 1.00 0.00 C ATOM 938 OE1 GLU A 67 -3.563 -10.427 -8.035 1.00 0.00 O ATOM 939 OE2 GLU A 67 -2.987 -10.182 -10.142 1.00 0.00 O ATOM 0 H GLU A 67 0.224 -8.538 -6.867 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.089 -6.461 -8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.710 -9.049 -6.958 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.007 -7.921 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.564 -7.656 -8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.944 -8.008 -9.418 1.00 0.00 H new ATOM 946 N TYR A 68 -1.496 -6.400 -4.842 1.00 0.00 N ATOM 947 CA TYR A 68 -1.896 -5.550 -3.727 1.00 0.00 C ATOM 948 C TYR A 68 -1.179 -5.960 -2.444 1.00 0.00 C ATOM 949 O TYR A 68 -0.547 -7.015 -2.384 1.00 0.00 O ATOM 950 CB TYR A 68 -3.410 -5.619 -3.522 1.00 0.00 C ATOM 951 CG TYR A 68 -3.962 -7.026 -3.557 1.00 0.00 C ATOM 952 CD1 TYR A 68 -3.758 -7.900 -2.496 1.00 0.00 C ATOM 953 CD2 TYR A 68 -4.688 -7.482 -4.651 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.260 -9.186 -2.524 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.195 -8.766 -4.686 1.00 0.00 C ATOM 956 CZ TYR A 68 -4.978 -9.615 -3.621 1.00 0.00 C ATOM 957 OH TYR A 68 -5.480 -10.895 -3.653 1.00 0.00 O ATOM 0 H TYR A 68 -1.135 -7.314 -4.567 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.615 -4.525 -3.967 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.660 -5.163 -2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.900 -5.026 -4.294 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.197 -7.568 -1.635 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.858 -6.821 -5.488 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.091 -9.853 -1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.759 -9.104 -5.543 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.961 -11.037 -4.495 1.00 0.00 H new ATOM 967 N TRP A 69 -1.283 -5.120 -1.421 1.00 0.00 N ATOM 968 CA TRP A 69 -0.645 -5.395 -0.139 1.00 0.00 C ATOM 969 C TRP A 69 -1.635 -5.225 1.008 1.00 0.00 C ATOM 970 O TRP A 69 -2.260 -4.174 1.151 1.00 0.00 O ATOM 971 CB TRP A 69 0.555 -4.469 0.066 1.00 0.00 C ATOM 972 CG TRP A 69 1.256 -4.685 1.373 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.352 -5.468 1.596 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.906 -4.112 2.638 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.705 -5.417 2.923 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.834 -4.591 3.583 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.099 -3.239 3.063 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.784 -4.226 4.926 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.148 -2.879 4.396 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.789 -3.371 5.315 1.00 0.00 C ATOM 0 H TRP A 69 -1.803 -4.243 -1.454 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.300 -6.429 -0.147 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.264 -4.620 -0.748 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.220 -3.433 0.009 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.866 -6.043 0.840 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.488 -5.914 3.348 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.824 -2.853 2.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.505 -4.604 5.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.922 -2.207 4.736 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.724 -3.069 6.350 1.00 0.00 H new ATOM 991 N TYR A 70 -1.772 -6.265 1.824 1.00 0.00 N ATOM 992 CA TYR A 70 -2.688 -6.231 2.958 1.00 0.00 C ATOM 993 C TYR A 70 -1.935 -6.414 4.272 1.00 0.00 C ATOM 994 O TYR A 70 -1.145 -7.347 4.424 1.00 0.00 O ATOM 995 CB TYR A 70 -3.754 -7.318 2.812 1.00 0.00 C ATOM 996 CG TYR A 70 -4.862 -6.954 1.849 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.591 -6.702 0.510 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.181 -6.864 2.279 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.600 -6.368 -0.372 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.196 -6.533 1.403 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.901 -6.285 0.079 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.909 -5.955 -0.797 1.00 0.00 O ATOM 0 H TYR A 70 -1.260 -7.141 1.721 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.173 -5.255 2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.278 -8.239 2.474 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.188 -7.524 3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.574 -6.768 0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.416 -7.056 3.315 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.372 -6.173 -1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.216 -6.469 1.753 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.765 -5.941 -0.320 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.187 -5.518 5.220 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.535 -5.579 6.523 1.00 0.00 C ATOM 1014 C CYS A 71 -1.676 -6.969 7.138 1.00 0.00 C ATOM 1015 O CYS A 71 -2.599 -7.721 6.827 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.130 -4.530 7.464 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.778 -4.961 8.111 1.00 0.00 S ATOM 0 H CYS A 71 -2.838 -4.741 5.110 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.475 -5.370 6.381 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.450 -4.382 8.303 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.196 -3.579 6.935 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.739 -7.318 8.031 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.737 -8.618 8.709 1.00 0.00 C ATOM 1024 C PRO A 72 -1.880 -8.752 9.709 1.00 0.00 C ATOM 1025 O PRO A 72 -2.122 -9.832 10.248 1.00 0.00 O ATOM 1026 CB PRO A 72 0.612 -8.639 9.432 1.00 0.00 C ATOM 1027 CG PRO A 72 0.955 -7.203 9.635 1.00 0.00 C ATOM 1028 CD PRO A 72 0.391 -6.471 8.449 1.00 0.00 C ATOM 0 HA PRO A 72 -0.874 -9.443 8.010 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.544 -9.168 10.383 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.372 -9.147 8.838 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.528 -6.827 10.565 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.034 -7.065 9.702 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.063 -5.466 8.716 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.129 -6.365 7.654 1.00 0.00 H new ATOM 1036 N SER A 73 -2.579 -7.648 9.952 1.00 0.00 N ATOM 1037 CA SER A 73 -3.696 -7.642 10.891 1.00 0.00 C ATOM 1038 C SER A 73 -4.998 -8.011 10.188 1.00 0.00 C ATOM 1039 O SER A 73 -5.991 -8.352 10.832 1.00 0.00 O ATOM 1040 CB SER A 73 -3.829 -6.267 11.549 1.00 0.00 C ATOM 1041 OG SER A 73 -3.739 -6.366 12.959 1.00 0.00 O ATOM 0 H SER A 73 -2.392 -6.747 9.512 1.00 0.00 H new ATOM 0 HA SER A 73 -3.496 -8.387 11.661 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.047 -5.605 11.177 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.784 -5.819 11.273 1.00 0.00 H new ATOM 0 HG SER A 73 -3.825 -5.474 13.356 1.00 0.00 H new ATOM 1047 N CYS A 74 -4.988 -7.938 8.861 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.168 -8.263 8.068 1.00 0.00 C ATOM 1049 C CYS A 74 -6.028 -9.640 7.424 1.00 0.00 C ATOM 1050 O CYS A 74 -6.909 -10.491 7.555 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.389 -7.203 6.987 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.291 -5.729 7.564 1.00 0.00 S ATOM 0 H CYS A 74 -4.176 -7.657 8.312 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.030 -8.279 8.735 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.421 -6.893 6.594 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -6.939 -7.652 6.160 1.00 0.00 H new ATOM 1057 N LYS A 75 -4.916 -9.852 6.729 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.659 -11.125 6.066 1.00 0.00 C ATOM 1059 C LYS A 75 -4.836 -12.289 7.036 1.00 0.00 C ATOM 1060 O LYS A 75 -4.064 -12.446 7.983 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.244 -11.143 5.484 1.00 0.00 C ATOM 1062 CG LYS A 75 -2.816 -12.506 4.967 1.00 0.00 C ATOM 1063 CD LYS A 75 -1.569 -12.409 4.105 1.00 0.00 C ATOM 1064 CE LYS A 75 -1.917 -12.367 2.624 1.00 0.00 C ATOM 1065 NZ LYS A 75 -2.468 -11.043 2.222 1.00 0.00 N ATOM 0 H LYS A 75 -4.178 -9.158 6.610 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.380 -11.237 5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.186 -10.420 4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.541 -10.817 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.627 -13.172 5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.627 -12.947 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.008 -11.514 4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.921 -13.263 4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.026 -12.584 2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.645 -13.147 2.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.471 -10.969 1.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.440 -10.949 2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.878 -10.286 2.622 1.00 0.00 H new ATOM 1079 N THR A 76 -5.857 -13.105 6.793 1.00 0.00 N ATOM 1080 CA THR A 76 -6.135 -14.255 7.644 1.00 0.00 C ATOM 1081 C THR A 76 -6.301 -15.524 6.817 1.00 0.00 C ATOM 1082 O THR A 76 -6.985 -16.461 7.230 1.00 0.00 O ATOM 1083 CB THR A 76 -7.406 -14.036 8.487 1.00 0.00 C ATOM 1084 OG1 THR A 76 -8.548 -13.922 7.631 1.00 0.00 O ATOM 1085 CG2 THR A 76 -7.279 -12.783 9.341 1.00 0.00 C ATOM 0 H THR A 76 -6.505 -12.991 6.014 1.00 0.00 H new ATOM 0 HA THR A 76 -5.280 -14.368 8.311 1.00 0.00 H new ATOM 0 HB THR A 76 -7.531 -14.895 9.146 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.352 -13.785 8.175 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.188 -12.649 9.927 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.426 -12.885 10.012 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.132 -11.917 8.696 1.00 0.00 H new ATOM 1093 N ASP A 77 -5.672 -15.549 5.647 1.00 0.00 N ATOM 1094 CA ASP A 77 -5.749 -16.705 4.762 1.00 0.00 C ATOM 1095 C ASP A 77 -4.460 -17.519 4.818 1.00 0.00 C ATOM 1096 O ASP A 77 -3.377 -16.936 4.769 1.00 0.00 O ATOM 1097 CB ASP A 77 -6.021 -16.257 3.325 1.00 0.00 C ATOM 1098 CG ASP A 77 -7.493 -16.000 3.068 1.00 0.00 C ATOM 1099 OD1 ASP A 77 -8.328 -16.791 3.556 1.00 0.00 O ATOM 1100 OD2 ASP A 77 -7.811 -15.008 2.379 1.00 0.00 O ATOM 0 H ASP A 77 -5.103 -14.782 5.290 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.571 -17.336 5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.455 -15.349 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.663 -17.021 2.635 1.00 0.00 H new TER 1105 ASP A 77 HETATM 1106 ZN ZN A 201 7.448 1.425 11.907 1.00 0.00 ZN HETATM 1107 ZN ZN A 401 -5.628 -4.090 7.206 1.00 0.00 ZN HETATM 1108 ZN ZN A 601 -4.817 9.893 12.273 1.00 0.00 ZN