USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 539 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 38 HIS HE2 : A 38 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 72 HIS HE2 : A 72 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0513 (180deg=0) USER MOD Single : A 2 SER OG : rot 19:sc= 0.0411 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 40:sc= 0.761 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -7.84! C(o=-7.8!,f=-11!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.392 K(o=-0.39,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.545 USER MOD Single : A 29 TYR OH : rot 148:sc= 0.258 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 33 SER OG : rot 180:sc= -0.122 USER MOD Single : A 34 HIS : no HD1:sc= -0.985 X(o=-0.98,f=-1.1) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= -0.165 (180deg=-0.765) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -37:sc= 0.0585 USER MOD Single : A 43 THR OG1 : rot -64:sc= 0.0617 USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.394) USER MOD Single : A 49 SER OG : rot 37:sc= 0.266 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0228) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0692 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -15:sc= -0.626 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.129 11.555 -7.766 1.00 0.00 N ATOM 2 CA GLY A 1 -33.119 11.087 -8.698 1.00 0.00 C ATOM 3 C GLY A 1 -32.134 10.132 -8.053 1.00 0.00 C ATOM 4 O GLY A 1 -31.983 10.116 -6.831 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.053 11.153 -8.025 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.878 11.254 -6.803 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.181 12.593 -7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.606 10.590 -9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.579 11.942 -9.104 1.00 0.00 H new ATOM 8 N SER A 2 -31.464 9.332 -8.875 1.00 0.00 N ATOM 9 CA SER A 2 -30.492 8.365 -8.378 1.00 0.00 C ATOM 10 C SER A 2 -29.472 8.015 -9.458 1.00 0.00 C ATOM 11 O SER A 2 -29.834 7.718 -10.596 1.00 0.00 O ATOM 12 CB SER A 2 -31.201 7.097 -7.900 1.00 0.00 C ATOM 13 OG SER A 2 -31.903 6.474 -8.963 1.00 0.00 O ATOM 0 H SER A 2 -31.576 9.334 -9.889 1.00 0.00 H new ATOM 0 HA SER A 2 -29.965 8.816 -7.538 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.470 6.402 -7.486 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.895 7.345 -7.097 1.00 0.00 H new ATOM 0 HG SER A 2 -31.550 6.794 -9.820 1.00 0.00 H new ATOM 19 N SER A 3 -28.195 8.053 -9.091 1.00 0.00 N ATOM 20 CA SER A 3 -27.121 7.744 -10.027 1.00 0.00 C ATOM 21 C SER A 3 -25.795 7.566 -9.294 1.00 0.00 C ATOM 22 O SER A 3 -25.593 8.113 -8.211 1.00 0.00 O ATOM 23 CB SER A 3 -26.993 8.853 -11.073 1.00 0.00 C ATOM 24 OG SER A 3 -26.628 10.082 -10.471 1.00 0.00 O ATOM 0 H SER A 3 -27.879 8.295 -8.152 1.00 0.00 H new ATOM 0 HA SER A 3 -27.368 6.808 -10.528 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.246 8.572 -11.816 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.939 8.970 -11.601 1.00 0.00 H new ATOM 0 HG SER A 3 -26.551 10.774 -11.161 1.00 0.00 H new ATOM 30 N GLY A 4 -24.893 6.796 -9.894 1.00 0.00 N ATOM 31 CA GLY A 4 -23.597 6.559 -9.285 1.00 0.00 C ATOM 32 C GLY A 4 -22.829 5.446 -9.970 1.00 0.00 C ATOM 33 O GLY A 4 -23.362 4.762 -10.846 1.00 0.00 O ATOM 0 H GLY A 4 -25.036 6.332 -10.791 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.009 7.476 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.734 6.308 -8.233 1.00 0.00 H new ATOM 37 N SER A 5 -21.574 5.263 -9.574 1.00 0.00 N ATOM 38 CA SER A 5 -20.729 4.228 -10.160 1.00 0.00 C ATOM 39 C SER A 5 -19.520 3.947 -9.273 1.00 0.00 C ATOM 40 O SER A 5 -19.119 4.786 -8.466 1.00 0.00 O ATOM 41 CB SER A 5 -20.265 4.650 -11.556 1.00 0.00 C ATOM 42 OG SER A 5 -19.954 3.520 -12.352 1.00 0.00 O ATOM 0 H SER A 5 -21.119 5.818 -8.849 1.00 0.00 H new ATOM 0 HA SER A 5 -21.318 3.314 -10.241 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.046 5.237 -12.040 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.389 5.293 -11.473 1.00 0.00 H new ATOM 0 HG SER A 5 -19.662 3.815 -13.240 1.00 0.00 H new ATOM 48 N SER A 6 -18.943 2.760 -9.430 1.00 0.00 N ATOM 49 CA SER A 6 -17.782 2.365 -8.641 1.00 0.00 C ATOM 50 C SER A 6 -16.527 2.320 -9.507 1.00 0.00 C ATOM 51 O SER A 6 -16.582 2.559 -10.713 1.00 0.00 O ATOM 52 CB SER A 6 -18.019 0.999 -7.995 1.00 0.00 C ATOM 53 OG SER A 6 -18.280 0.009 -8.975 1.00 0.00 O ATOM 0 H SER A 6 -19.260 2.055 -10.096 1.00 0.00 H new ATOM 0 HA SER A 6 -17.635 3.109 -7.858 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.145 0.714 -7.409 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.859 1.061 -7.304 1.00 0.00 H new ATOM 0 HG SER A 6 -18.426 -0.855 -8.536 1.00 0.00 H new ATOM 59 N GLY A 7 -15.394 2.012 -8.881 1.00 0.00 N ATOM 60 CA GLY A 7 -14.140 1.942 -9.609 1.00 0.00 C ATOM 61 C GLY A 7 -13.261 0.801 -9.138 1.00 0.00 C ATOM 62 O GLY A 7 -13.719 -0.133 -8.479 1.00 0.00 O ATOM 0 H GLY A 7 -15.323 1.810 -7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.347 1.823 -10.673 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.602 2.883 -9.493 1.00 0.00 H new ATOM 66 N PRO A 8 -11.966 0.868 -9.480 1.00 0.00 N ATOM 67 CA PRO A 8 -10.993 -0.161 -9.099 1.00 0.00 C ATOM 68 C PRO A 8 -10.699 -0.156 -7.604 1.00 0.00 C ATOM 69 O PRO A 8 -11.281 0.626 -6.851 1.00 0.00 O ATOM 70 CB PRO A 8 -9.741 0.225 -9.892 1.00 0.00 C ATOM 71 CG PRO A 8 -9.877 1.690 -10.126 1.00 0.00 C ATOM 72 CD PRO A 8 -11.352 1.952 -10.265 1.00 0.00 C ATOM 0 HA PRO A 8 -11.357 -1.166 -9.313 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.833 -0.004 -9.334 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.684 -0.322 -10.833 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.456 2.258 -9.297 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.340 1.993 -11.025 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.624 2.933 -9.877 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.669 1.923 -11.307 1.00 0.00 H new ATOM 80 N GLN A 9 -9.793 -1.030 -7.180 1.00 0.00 N ATOM 81 CA GLN A 9 -9.423 -1.126 -5.772 1.00 0.00 C ATOM 82 C GLN A 9 -7.915 -0.980 -5.595 1.00 0.00 C ATOM 83 O GLN A 9 -7.137 -1.389 -6.458 1.00 0.00 O ATOM 84 CB GLN A 9 -9.890 -2.461 -5.190 1.00 0.00 C ATOM 85 CG GLN A 9 -10.082 -2.433 -3.682 1.00 0.00 C ATOM 86 CD GLN A 9 -10.959 -3.564 -3.184 1.00 0.00 C ATOM 87 OE1 GLN A 9 -12.186 -3.489 -3.251 1.00 0.00 O ATOM 88 NE2 GLN A 9 -10.333 -4.621 -2.680 1.00 0.00 N ATOM 0 H GLN A 9 -9.301 -1.682 -7.791 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.914 -0.313 -5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.830 -2.745 -5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.162 -3.232 -5.441 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.109 -2.491 -3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.526 -1.480 -3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.314 -4.641 -2.644 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.871 -5.413 -2.329 1.00 0.00 H new ATOM 97 N ILE A 10 -7.510 -0.395 -4.473 1.00 0.00 N ATOM 98 CA ILE A 10 -6.096 -0.197 -4.182 1.00 0.00 C ATOM 99 C ILE A 10 -5.689 -0.925 -2.906 1.00 0.00 C ATOM 100 O ILE A 10 -6.522 -1.532 -2.234 1.00 0.00 O ATOM 101 CB ILE A 10 -5.755 1.299 -4.039 1.00 0.00 C ATOM 102 CG1 ILE A 10 -6.640 1.945 -2.971 1.00 0.00 C ATOM 103 CG2 ILE A 10 -5.920 2.011 -5.373 1.00 0.00 C ATOM 104 CD1 ILE A 10 -6.086 3.245 -2.433 1.00 0.00 C ATOM 0 H ILE A 10 -8.142 -0.050 -3.750 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.540 -0.609 -5.024 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.715 1.391 -3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.629 2.127 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.769 1.245 -2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.675 3.067 -5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.252 1.564 -6.109 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.951 1.913 -5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.765 3.646 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.110 3.066 -1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.983 3.962 -3.248 1.00 0.00 H new ATOM 116 N ASP A 11 -4.404 -0.858 -2.578 1.00 0.00 N ATOM 117 CA ASP A 11 -3.885 -1.508 -1.380 1.00 0.00 C ATOM 118 C ASP A 11 -4.066 -0.616 -0.155 1.00 0.00 C ATOM 119 O ASP A 11 -4.543 0.514 -0.264 1.00 0.00 O ATOM 120 CB ASP A 11 -2.407 -1.854 -1.561 1.00 0.00 C ATOM 121 CG ASP A 11 -2.181 -2.874 -2.659 1.00 0.00 C ATOM 122 OD1 ASP A 11 -2.814 -2.746 -3.728 1.00 0.00 O ATOM 123 OD2 ASP A 11 -1.370 -3.801 -2.451 1.00 0.00 O ATOM 0 H ASP A 11 -3.702 -0.360 -3.125 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.448 -2.428 -1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.850 -0.946 -1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.010 -2.241 -0.623 1.00 0.00 H new ATOM 128 N SER A 12 -3.683 -1.132 1.008 1.00 0.00 N ATOM 129 CA SER A 12 -3.808 -0.384 2.254 1.00 0.00 C ATOM 130 C SER A 12 -2.697 0.655 2.377 1.00 0.00 C ATOM 131 O SER A 12 -1.559 0.325 2.711 1.00 0.00 O ATOM 132 CB SER A 12 -3.768 -1.335 3.451 1.00 0.00 C ATOM 133 OG SER A 12 -2.562 -2.080 3.470 1.00 0.00 O ATOM 0 H SER A 12 -3.284 -2.065 1.114 1.00 0.00 H new ATOM 0 HA SER A 12 -4.767 0.134 2.244 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.862 -0.765 4.375 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.619 -2.015 3.408 1.00 0.00 H new ATOM 0 HG SER A 12 -1.815 -1.500 3.213 1.00 0.00 H new ATOM 139 N SER A 13 -3.036 1.910 2.105 1.00 0.00 N ATOM 140 CA SER A 13 -2.068 2.998 2.182 1.00 0.00 C ATOM 141 C SER A 13 -2.178 3.730 3.515 1.00 0.00 C ATOM 142 O SER A 13 -1.178 3.946 4.201 1.00 0.00 O ATOM 143 CB SER A 13 -2.280 3.980 1.028 1.00 0.00 C ATOM 144 OG SER A 13 -1.792 3.447 -0.192 1.00 0.00 O ATOM 0 H SER A 13 -3.974 2.199 1.829 1.00 0.00 H new ATOM 0 HA SER A 13 -1.069 2.569 2.105 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.342 4.207 0.930 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.772 4.919 1.247 1.00 0.00 H new ATOM 0 HG SER A 13 -1.941 4.093 -0.914 1.00 0.00 H new ATOM 150 N ARG A 14 -3.398 4.110 3.876 1.00 0.00 N ATOM 151 CA ARG A 14 -3.640 4.819 5.127 1.00 0.00 C ATOM 152 C ARG A 14 -3.185 3.986 6.321 1.00 0.00 C ATOM 153 O ARG A 14 -2.720 2.856 6.161 1.00 0.00 O ATOM 154 CB ARG A 14 -5.124 5.161 5.265 1.00 0.00 C ATOM 155 CG ARG A 14 -5.541 6.396 4.484 1.00 0.00 C ATOM 156 CD ARG A 14 -5.806 6.069 3.023 1.00 0.00 C ATOM 157 NE ARG A 14 -6.323 7.221 2.290 1.00 0.00 N ATOM 158 CZ ARG A 14 -6.970 7.125 1.132 1.00 0.00 C ATOM 159 NH1 ARG A 14 -7.177 5.937 0.581 1.00 0.00 N ATOM 160 NH2 ARG A 14 -7.412 8.219 0.525 1.00 0.00 N ATOM 0 H ARG A 14 -4.236 3.939 3.320 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.062 5.743 5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.717 4.311 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.356 5.313 6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.438 6.824 4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.759 7.152 4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.883 5.726 2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.520 5.248 2.959 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.180 8.149 2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.840 5.094 1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.674 5.866 -0.307 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.256 9.135 0.946 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.908 8.144 -0.363 1.00 0.00 H new ATOM 174 N ILE A 15 -3.321 4.551 7.516 1.00 0.00 N ATOM 175 CA ILE A 15 -2.925 3.859 8.737 1.00 0.00 C ATOM 176 C ILE A 15 -3.990 2.860 9.174 1.00 0.00 C ATOM 177 O ILE A 15 -5.060 3.244 9.645 1.00 0.00 O ATOM 178 CB ILE A 15 -2.665 4.850 9.886 1.00 0.00 C ATOM 179 CG1 ILE A 15 -1.548 5.824 9.507 1.00 0.00 C ATOM 180 CG2 ILE A 15 -2.312 4.101 11.162 1.00 0.00 C ATOM 181 CD1 ILE A 15 -1.384 6.967 10.484 1.00 0.00 C ATOM 0 H ILE A 15 -3.702 5.485 7.665 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.002 3.326 8.511 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.575 5.423 10.064 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.608 5.277 9.440 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.752 6.230 8.516 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.131 4.815 11.965 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.137 3.445 11.439 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.414 3.505 10.998 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.574 7.617 10.151 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.311 7.539 10.534 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.148 6.571 11.472 1.00 0.00 H new ATOM 193 N ARG A 16 -3.690 1.575 9.015 1.00 0.00 N ATOM 194 CA ARG A 16 -4.621 0.520 9.393 1.00 0.00 C ATOM 195 C ARG A 16 -4.705 0.387 10.911 1.00 0.00 C ATOM 196 O ARG A 16 -3.770 -0.089 11.555 1.00 0.00 O ATOM 197 CB ARG A 16 -4.193 -0.814 8.777 1.00 0.00 C ATOM 198 CG ARG A 16 -2.823 -1.286 9.239 1.00 0.00 C ATOM 199 CD ARG A 16 -2.091 -2.034 8.136 1.00 0.00 C ATOM 200 NE ARG A 16 -1.014 -2.869 8.662 1.00 0.00 N ATOM 201 CZ ARG A 16 -0.151 -3.524 7.895 1.00 0.00 C ATOM 202 NH1 ARG A 16 -0.237 -3.441 6.574 1.00 0.00 N ATOM 203 NH2 ARG A 16 0.802 -4.264 8.448 1.00 0.00 N ATOM 0 H ARG A 16 -2.808 1.240 8.627 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.607 0.788 9.013 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.933 -1.574 9.027 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.188 -0.718 7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.229 -0.428 9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.934 -1.934 10.108 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.799 -2.657 7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.680 -1.318 7.424 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.920 -2.953 9.674 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.968 -2.873 6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.427 -3.945 5.987 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.872 -4.330 9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.464 -4.767 7.858 1.00 0.00 H new ATOM 217 N SER A 17 -5.831 0.812 11.476 1.00 0.00 N ATOM 218 CA SER A 17 -6.036 0.744 12.918 1.00 0.00 C ATOM 219 C SER A 17 -6.848 -0.491 13.295 1.00 0.00 C ATOM 220 O SER A 17 -6.333 -1.420 13.917 1.00 0.00 O ATOM 221 CB SER A 17 -6.746 2.006 13.412 1.00 0.00 C ATOM 222 OG SER A 17 -5.813 2.974 13.860 1.00 0.00 O ATOM 0 H SER A 17 -6.615 1.207 10.957 1.00 0.00 H new ATOM 0 HA SER A 17 -5.059 0.673 13.396 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.351 2.425 12.608 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.427 1.750 14.224 1.00 0.00 H new ATOM 0 HG SER A 17 -6.292 3.771 14.169 1.00 0.00 H new ATOM 228 N HIS A 18 -8.121 -0.493 12.912 1.00 0.00 N ATOM 229 CA HIS A 18 -9.007 -1.614 13.208 1.00 0.00 C ATOM 230 C HIS A 18 -8.384 -2.931 12.756 1.00 0.00 C ATOM 231 O HIS A 18 -8.321 -3.221 11.560 1.00 0.00 O ATOM 232 CB HIS A 18 -10.361 -1.415 12.528 1.00 0.00 C ATOM 233 CG HIS A 18 -11.245 -0.430 13.228 1.00 0.00 C ATOM 234 ND1 HIS A 18 -12.522 -0.731 13.651 1.00 0.00 N ATOM 235 CD2 HIS A 18 -11.027 0.859 13.580 1.00 0.00 C ATOM 236 CE1 HIS A 18 -13.053 0.330 14.231 1.00 0.00 C ATOM 237 NE2 HIS A 18 -12.166 1.308 14.202 1.00 0.00 N ATOM 0 H HIS A 18 -8.562 0.268 12.396 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.155 -1.654 14.287 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.198 -1.080 11.504 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.874 -2.375 12.472 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.126 1.428 13.404 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.044 0.388 14.657 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -12.304 2.245 14.580 1.00 0.00 H new ATOM 245 N ILE A 19 -7.926 -3.726 13.718 1.00 0.00 N ATOM 246 CA ILE A 19 -7.310 -5.012 13.417 1.00 0.00 C ATOM 247 C ILE A 19 -8.360 -6.112 13.306 1.00 0.00 C ATOM 248 O ILE A 19 -9.397 -6.065 13.968 1.00 0.00 O ATOM 249 CB ILE A 19 -6.282 -5.407 14.493 1.00 0.00 C ATOM 250 CG1 ILE A 19 -5.542 -4.169 15.004 1.00 0.00 C ATOM 251 CG2 ILE A 19 -5.297 -6.426 13.935 1.00 0.00 C ATOM 252 CD1 ILE A 19 -4.521 -3.629 14.027 1.00 0.00 C ATOM 0 H ILE A 19 -7.970 -3.502 14.712 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.800 -4.902 12.460 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.812 -5.861 15.330 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.269 -3.388 15.227 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.042 -4.415 15.941 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.576 -6.696 14.707 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.837 -7.317 13.616 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.772 -5.995 13.083 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.036 -2.752 14.456 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.772 -4.395 13.823 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.018 -3.351 13.098 1.00 0.00 H new ATOM 264 N CYS A 20 -8.085 -7.102 12.465 1.00 0.00 N ATOM 265 CA CYS A 20 -9.004 -8.216 12.266 1.00 0.00 C ATOM 266 C CYS A 20 -9.063 -9.101 13.508 1.00 0.00 C ATOM 267 O CYS A 20 -8.079 -9.743 13.873 1.00 0.00 O ATOM 268 CB CYS A 20 -8.577 -9.048 11.055 1.00 0.00 C ATOM 269 SG CYS A 20 -9.303 -10.718 11.006 1.00 0.00 S ATOM 0 H CYS A 20 -7.232 -7.156 11.909 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.998 -7.806 12.085 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.856 -8.516 10.146 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.491 -9.136 11.053 1.00 0.00 H new ATOM 274 N SER A 21 -10.225 -9.127 14.153 1.00 0.00 N ATOM 275 CA SER A 21 -10.413 -9.931 15.356 1.00 0.00 C ATOM 276 C SER A 21 -9.630 -11.237 15.266 1.00 0.00 C ATOM 277 O SER A 21 -8.777 -11.522 16.107 1.00 0.00 O ATOM 278 CB SER A 21 -11.898 -10.226 15.571 1.00 0.00 C ATOM 279 OG SER A 21 -12.082 -11.213 16.572 1.00 0.00 O ATOM 0 H SER A 21 -11.050 -8.601 13.863 1.00 0.00 H new ATOM 0 HA SER A 21 -10.037 -9.361 16.206 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.416 -9.311 15.858 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.344 -10.564 14.636 1.00 0.00 H new ATOM 0 HG SER A 21 -13.040 -11.383 16.692 1.00 0.00 H new ATOM 285 N HIS A 22 -9.925 -12.027 14.239 1.00 0.00 N ATOM 286 CA HIS A 22 -9.250 -13.303 14.036 1.00 0.00 C ATOM 287 C HIS A 22 -7.745 -13.103 13.882 1.00 0.00 C ATOM 288 O HIS A 22 -7.275 -12.432 12.962 1.00 0.00 O ATOM 289 CB HIS A 22 -9.811 -14.012 12.803 1.00 0.00 C ATOM 290 CG HIS A 22 -9.517 -15.480 12.771 1.00 0.00 C ATOM 291 ND1 HIS A 22 -9.696 -16.307 13.858 1.00 0.00 N ATOM 292 CD2 HIS A 22 -9.055 -16.269 11.772 1.00 0.00 C ATOM 293 CE1 HIS A 22 -9.356 -17.541 13.531 1.00 0.00 C ATOM 294 NE2 HIS A 22 -8.964 -17.545 12.270 1.00 0.00 N ATOM 0 H HIS A 22 -10.628 -11.805 13.534 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.429 -13.923 14.914 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.891 -13.865 12.769 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.398 -13.547 11.908 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.805 -15.953 10.770 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.392 -18.400 14.184 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.645 -18.363 11.751 1.00 0.00 H new ATOM 302 N PRO A 23 -6.971 -13.697 14.803 1.00 0.00 N ATOM 303 CA PRO A 23 -5.509 -13.597 14.790 1.00 0.00 C ATOM 304 C PRO A 23 -4.885 -14.364 13.629 1.00 0.00 C ATOM 305 O PRO A 23 -4.052 -13.833 12.897 1.00 0.00 O ATOM 306 CB PRO A 23 -5.099 -14.223 16.126 1.00 0.00 C ATOM 307 CG PRO A 23 -6.215 -15.149 16.468 1.00 0.00 C ATOM 308 CD PRO A 23 -7.464 -14.511 15.926 1.00 0.00 C ATOM 0 HA PRO A 23 -5.172 -12.568 14.664 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.153 -14.758 16.039 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.966 -13.462 16.895 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.056 -16.132 16.025 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.286 -15.292 17.546 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.186 -15.258 15.595 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -7.962 -13.899 16.678 1.00 0.00 H new ATOM 316 N GLY A 24 -5.296 -15.618 13.465 1.00 0.00 N ATOM 317 CA GLY A 24 -4.767 -16.438 12.391 1.00 0.00 C ATOM 318 C GLY A 24 -4.748 -15.709 11.062 1.00 0.00 C ATOM 319 O GLY A 24 -3.814 -15.865 10.274 1.00 0.00 O ATOM 0 H GLY A 24 -5.986 -16.080 14.057 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.755 -16.754 12.644 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.369 -17.342 12.298 1.00 0.00 H new ATOM 323 N CYS A 25 -5.781 -14.912 10.811 1.00 0.00 N ATOM 324 CA CYS A 25 -5.880 -14.158 9.567 1.00 0.00 C ATOM 325 C CYS A 25 -4.761 -13.127 9.464 1.00 0.00 C ATOM 326 O CYS A 25 -3.878 -13.236 8.614 1.00 0.00 O ATOM 327 CB CYS A 25 -7.240 -13.461 9.475 1.00 0.00 C ATOM 328 SG CYS A 25 -7.317 -12.143 8.222 1.00 0.00 S ATOM 0 H CYS A 25 -6.561 -14.772 11.453 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.781 -14.859 8.738 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.003 -14.206 9.250 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.485 -13.037 10.449 1.00 0.00 H new ATOM 333 N GLY A 26 -4.804 -12.126 10.339 1.00 0.00 N ATOM 334 CA GLY A 26 -3.788 -11.089 10.331 1.00 0.00 C ATOM 335 C GLY A 26 -4.040 -10.038 9.268 1.00 0.00 C ATOM 336 O GLY A 26 -3.411 -10.051 8.210 1.00 0.00 O ATOM 0 H GLY A 26 -5.524 -12.015 11.053 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.754 -10.610 11.310 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.811 -11.543 10.164 1.00 0.00 H new ATOM 340 N LYS A 27 -4.965 -9.127 9.548 1.00 0.00 N ATOM 341 CA LYS A 27 -5.300 -8.064 8.609 1.00 0.00 C ATOM 342 C LYS A 27 -5.785 -6.818 9.345 1.00 0.00 C ATOM 343 O LYS A 27 -6.223 -6.895 10.494 1.00 0.00 O ATOM 344 CB LYS A 27 -6.375 -8.541 7.629 1.00 0.00 C ATOM 345 CG LYS A 27 -5.937 -9.710 6.766 1.00 0.00 C ATOM 346 CD LYS A 27 -4.930 -9.279 5.713 1.00 0.00 C ATOM 347 CE LYS A 27 -5.618 -8.854 4.425 1.00 0.00 C ATOM 348 NZ LYS A 27 -4.637 -8.467 3.373 1.00 0.00 N ATOM 0 H LYS A 27 -5.496 -9.104 10.418 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.398 -7.808 8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.264 -8.828 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.660 -7.710 6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.498 -10.484 7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.807 -10.151 6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.332 -8.453 6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.244 -10.100 5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.240 -9.671 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.283 -8.014 4.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.146 -8.184 2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.060 -7.671 3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.019 -9.276 3.160 1.00 0.00 H new ATOM 362 N THR A 28 -5.704 -5.672 8.678 1.00 0.00 N ATOM 363 CA THR A 28 -6.135 -4.411 9.269 1.00 0.00 C ATOM 364 C THR A 28 -6.510 -3.400 8.192 1.00 0.00 C ATOM 365 O THR A 28 -5.989 -3.441 7.078 1.00 0.00 O ATOM 366 CB THR A 28 -5.037 -3.808 10.165 1.00 0.00 C ATOM 367 OG1 THR A 28 -4.466 -4.826 10.994 1.00 0.00 O ATOM 368 CG2 THR A 28 -5.600 -2.695 11.036 1.00 0.00 C ATOM 0 H THR A 28 -5.344 -5.591 7.727 1.00 0.00 H new ATOM 0 HA THR A 28 -7.012 -4.629 9.879 1.00 0.00 H new ATOM 0 HB THR A 28 -4.264 -3.389 9.521 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.768 -4.434 11.559 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.806 -2.284 11.660 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.007 -1.907 10.402 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.391 -3.095 11.671 1.00 0.00 H new ATOM 376 N TYR A 29 -7.417 -2.490 8.533 1.00 0.00 N ATOM 377 CA TYR A 29 -7.863 -1.468 7.595 1.00 0.00 C ATOM 378 C TYR A 29 -8.133 -0.149 8.314 1.00 0.00 C ATOM 379 O TYR A 29 -8.897 -0.099 9.278 1.00 0.00 O ATOM 380 CB TYR A 29 -9.126 -1.931 6.865 1.00 0.00 C ATOM 381 CG TYR A 29 -8.984 -3.286 6.212 1.00 0.00 C ATOM 382 CD1 TYR A 29 -8.428 -3.414 4.945 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.406 -4.441 6.860 1.00 0.00 C ATOM 384 CE1 TYR A 29 -8.296 -4.650 4.343 1.00 0.00 C ATOM 385 CE2 TYR A 29 -9.278 -5.682 6.267 1.00 0.00 C ATOM 386 CZ TYR A 29 -8.723 -5.782 5.008 1.00 0.00 C ATOM 387 OH TYR A 29 -8.594 -7.015 4.414 1.00 0.00 O ATOM 0 H TYR A 29 -7.857 -2.440 9.452 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.068 -1.308 6.867 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.954 -1.963 7.573 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.386 -1.195 6.104 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.093 -2.531 4.421 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.842 -4.367 7.845 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.861 -4.731 3.358 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.610 -6.569 6.786 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.440 -7.695 5.102 1.00 0.00 H new ATOM 397 N PHE A 30 -7.500 0.917 7.836 1.00 0.00 N ATOM 398 CA PHE A 30 -7.670 2.238 8.432 1.00 0.00 C ATOM 399 C PHE A 30 -9.143 2.525 8.707 1.00 0.00 C ATOM 400 O PHE A 30 -9.508 2.970 9.795 1.00 0.00 O ATOM 401 CB PHE A 30 -7.092 3.314 7.511 1.00 0.00 C ATOM 402 CG PHE A 30 -7.418 3.100 6.059 1.00 0.00 C ATOM 403 CD1 PHE A 30 -6.674 2.219 5.292 1.00 0.00 C ATOM 404 CD2 PHE A 30 -8.468 3.781 5.464 1.00 0.00 C ATOM 405 CE1 PHE A 30 -6.971 2.019 3.957 1.00 0.00 C ATOM 406 CE2 PHE A 30 -8.770 3.584 4.130 1.00 0.00 C ATOM 407 CZ PHE A 30 -8.020 2.703 3.375 1.00 0.00 C ATOM 0 H PHE A 30 -6.865 0.893 7.038 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.132 2.254 9.380 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.471 4.288 7.821 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.009 3.341 7.632 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.852 1.682 5.742 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.056 4.473 6.049 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.383 1.329 3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.592 4.119 3.678 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.254 2.550 2.332 1.00 0.00 H new ATOM 417 N LYS A 31 -9.986 2.267 7.713 1.00 0.00 N ATOM 418 CA LYS A 31 -11.419 2.496 7.845 1.00 0.00 C ATOM 419 C LYS A 31 -12.012 1.614 8.940 1.00 0.00 C ATOM 420 O LYS A 31 -12.043 0.390 8.815 1.00 0.00 O ATOM 421 CB LYS A 31 -12.126 2.221 6.516 1.00 0.00 C ATOM 422 CG LYS A 31 -11.950 3.329 5.492 1.00 0.00 C ATOM 423 CD LYS A 31 -12.835 4.524 5.807 1.00 0.00 C ATOM 424 CE LYS A 31 -12.899 5.494 4.636 1.00 0.00 C ATOM 425 NZ LYS A 31 -14.006 5.160 3.699 1.00 0.00 N ATOM 0 H LYS A 31 -9.700 1.899 6.806 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.570 3.540 8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.746 1.288 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.190 2.077 6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.907 3.643 5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.189 2.949 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.840 4.180 6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.452 5.040 6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.035 6.508 5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.951 5.477 4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.016 5.844 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.863 4.202 3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.914 5.201 4.205 1.00 0.00 H new ATOM 439 N SER A 32 -12.483 2.245 10.011 1.00 0.00 N ATOM 440 CA SER A 32 -13.074 1.518 11.128 1.00 0.00 C ATOM 441 C SER A 32 -14.127 0.529 10.637 1.00 0.00 C ATOM 442 O SER A 32 -13.964 -0.685 10.768 1.00 0.00 O ATOM 443 CB SER A 32 -13.700 2.494 12.126 1.00 0.00 C ATOM 444 OG SER A 32 -14.587 3.387 11.477 1.00 0.00 O ATOM 0 H SER A 32 -12.467 3.258 10.129 1.00 0.00 H new ATOM 0 HA SER A 32 -12.281 0.960 11.626 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.236 1.938 12.895 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.915 3.058 12.629 1.00 0.00 H new ATOM 0 HG SER A 32 -14.975 3.999 12.136 1.00 0.00 H new ATOM 450 N SER A 33 -15.207 1.057 10.071 1.00 0.00 N ATOM 451 CA SER A 33 -16.290 0.223 9.563 1.00 0.00 C ATOM 452 C SER A 33 -15.742 -0.919 8.712 1.00 0.00 C ATOM 453 O SER A 33 -16.021 -2.091 8.970 1.00 0.00 O ATOM 454 CB SER A 33 -17.267 1.063 8.741 1.00 0.00 C ATOM 455 OG SER A 33 -16.603 1.726 7.679 1.00 0.00 O ATOM 0 H SER A 33 -15.356 2.059 9.952 1.00 0.00 H new ATOM 0 HA SER A 33 -16.818 -0.203 10.416 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.053 0.423 8.339 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.752 1.797 9.385 1.00 0.00 H new ATOM 0 HG SER A 33 -17.251 2.255 7.168 1.00 0.00 H new ATOM 461 N HIS A 34 -14.960 -0.568 7.695 1.00 0.00 N ATOM 462 CA HIS A 34 -14.372 -1.563 6.805 1.00 0.00 C ATOM 463 C HIS A 34 -14.043 -2.845 7.564 1.00 0.00 C ATOM 464 O HIS A 34 -14.665 -3.886 7.344 1.00 0.00 O ATOM 465 CB HIS A 34 -13.108 -1.007 6.149 1.00 0.00 C ATOM 466 CG HIS A 34 -13.369 -0.276 4.868 1.00 0.00 C ATOM 467 ND1 HIS A 34 -12.431 -0.155 3.865 1.00 0.00 N ATOM 468 CD2 HIS A 34 -14.473 0.371 4.427 1.00 0.00 C ATOM 469 CE1 HIS A 34 -12.945 0.537 2.864 1.00 0.00 C ATOM 470 NE2 HIS A 34 -14.185 0.868 3.181 1.00 0.00 N ATOM 0 H HIS A 34 -14.719 0.397 7.467 1.00 0.00 H new ATOM 0 HA HIS A 34 -15.102 -1.798 6.030 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.613 -0.333 6.848 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.418 -1.828 5.955 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.408 0.477 4.958 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -12.439 0.789 1.944 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -14.824 1.405 2.595 1.00 0.00 H new ATOM 478 N LEU A 35 -13.063 -2.763 8.457 1.00 0.00 N ATOM 479 CA LEU A 35 -12.651 -3.917 9.247 1.00 0.00 C ATOM 480 C LEU A 35 -13.847 -4.802 9.586 1.00 0.00 C ATOM 481 O LEU A 35 -13.960 -5.925 9.096 1.00 0.00 O ATOM 482 CB LEU A 35 -11.961 -3.459 10.534 1.00 0.00 C ATOM 483 CG LEU A 35 -12.030 -4.429 11.715 1.00 0.00 C ATOM 484 CD1 LEU A 35 -13.237 -4.121 12.588 1.00 0.00 C ATOM 485 CD2 LEU A 35 -12.078 -5.867 11.221 1.00 0.00 C ATOM 0 H LEU A 35 -12.539 -1.910 8.652 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.948 -4.500 8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.912 -3.264 10.311 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.403 -2.511 10.842 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.131 -4.304 12.318 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.270 -4.821 13.423 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.159 -3.103 12.970 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.148 -4.218 11.997 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.127 -6.543 12.074 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.960 -6.008 10.596 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.182 -6.082 10.639 1.00 0.00 H new ATOM 497 N LYS A 36 -14.738 -4.285 10.424 1.00 0.00 N ATOM 498 CA LYS A 36 -15.930 -5.025 10.826 1.00 0.00 C ATOM 499 C LYS A 36 -16.486 -5.835 9.660 1.00 0.00 C ATOM 500 O LYS A 36 -16.919 -6.974 9.833 1.00 0.00 O ATOM 501 CB LYS A 36 -16.999 -4.064 11.350 1.00 0.00 C ATOM 502 CG LYS A 36 -16.803 -3.670 12.803 1.00 0.00 C ATOM 503 CD LYS A 36 -18.129 -3.384 13.488 1.00 0.00 C ATOM 504 CE LYS A 36 -18.718 -4.642 14.108 1.00 0.00 C ATOM 505 NZ LYS A 36 -19.503 -5.433 13.121 1.00 0.00 N ATOM 0 H LYS A 36 -14.658 -3.357 10.839 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.649 -5.714 11.622 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.999 -3.164 10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.979 -4.528 11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.285 -4.471 13.331 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -16.166 -2.787 12.859 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -17.985 -2.629 14.261 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -18.832 -2.970 12.765 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.914 -5.259 14.510 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -19.359 -4.368 14.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -20.164 -6.059 13.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.038 -4.788 12.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.856 -6.006 12.542 1.00 0.00 H new ATOM 519 N ALA A 37 -16.470 -5.240 8.471 1.00 0.00 N ATOM 520 CA ALA A 37 -16.970 -5.908 7.276 1.00 0.00 C ATOM 521 C ALA A 37 -16.068 -7.071 6.880 1.00 0.00 C ATOM 522 O ALA A 37 -16.546 -8.162 6.567 1.00 0.00 O ATOM 523 CB ALA A 37 -17.091 -4.916 6.129 1.00 0.00 C ATOM 0 H ALA A 37 -16.116 -4.297 8.310 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.958 -6.309 7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.465 -5.428 5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.782 -4.120 6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.112 -4.487 5.914 1.00 0.00 H new ATOM 529 N HIS A 38 -14.761 -6.832 6.893 1.00 0.00 N ATOM 530 CA HIS A 38 -13.791 -7.862 6.535 1.00 0.00 C ATOM 531 C HIS A 38 -13.937 -9.083 7.437 1.00 0.00 C ATOM 532 O HIS A 38 -13.415 -10.157 7.137 1.00 0.00 O ATOM 533 CB HIS A 38 -12.369 -7.309 6.632 1.00 0.00 C ATOM 534 CG HIS A 38 -11.324 -8.368 6.796 1.00 0.00 C ATOM 535 ND1 HIS A 38 -10.363 -8.633 5.844 1.00 0.00 N ATOM 536 CD2 HIS A 38 -11.091 -9.231 7.813 1.00 0.00 C ATOM 537 CE1 HIS A 38 -9.585 -9.614 6.266 1.00 0.00 C ATOM 538 NE2 HIS A 38 -10.006 -9.994 7.459 1.00 0.00 N ATOM 0 H HIS A 38 -14.348 -5.935 7.147 1.00 0.00 H new ATOM 0 HA HIS A 38 -13.985 -8.167 5.507 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.151 -6.731 5.734 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.312 -6.621 7.475 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -10.267 -8.147 4.952 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -11.654 -9.305 8.732 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.748 -10.033 5.728 1.00 0.00 H new ATOM 546 N THR A 39 -14.648 -8.912 8.548 1.00 0.00 N ATOM 547 CA THR A 39 -14.861 -9.998 9.495 1.00 0.00 C ATOM 548 C THR A 39 -16.099 -10.812 9.130 1.00 0.00 C ATOM 549 O THR A 39 -16.125 -12.030 9.304 1.00 0.00 O ATOM 550 CB THR A 39 -15.014 -9.468 10.933 1.00 0.00 C ATOM 551 OG1 THR A 39 -13.798 -8.844 11.357 1.00 0.00 O ATOM 552 CG2 THR A 39 -15.372 -10.595 11.890 1.00 0.00 C ATOM 0 H THR A 39 -15.086 -8.030 8.813 1.00 0.00 H new ATOM 0 HA THR A 39 -13.981 -10.639 9.444 1.00 0.00 H new ATOM 0 HB THR A 39 -15.820 -8.735 10.942 1.00 0.00 H new ATOM 0 HG1 THR A 39 -13.904 -8.508 12.272 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.475 -10.196 12.899 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.314 -11.049 11.581 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.584 -11.348 11.876 1.00 0.00 H new ATOM 560 N ARG A 40 -17.121 -10.130 8.625 1.00 0.00 N ATOM 561 CA ARG A 40 -18.362 -10.789 8.237 1.00 0.00 C ATOM 562 C ARG A 40 -18.173 -11.588 6.951 1.00 0.00 C ATOM 563 O ARG A 40 -19.020 -12.403 6.583 1.00 0.00 O ATOM 564 CB ARG A 40 -19.476 -9.758 8.050 1.00 0.00 C ATOM 565 CG ARG A 40 -19.360 -8.962 6.761 1.00 0.00 C ATOM 566 CD ARG A 40 -20.716 -8.462 6.290 1.00 0.00 C ATOM 567 NE ARG A 40 -21.431 -9.470 5.512 1.00 0.00 N ATOM 568 CZ ARG A 40 -21.116 -9.794 4.263 1.00 0.00 C ATOM 569 NH1 ARG A 40 -20.104 -9.192 3.653 1.00 0.00 N ATOM 570 NH2 ARG A 40 -21.814 -10.721 3.621 1.00 0.00 N ATOM 0 H ARG A 40 -17.114 -9.121 8.475 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.644 -11.477 9.035 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -20.439 -10.269 8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.467 -9.069 8.894 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.692 -8.114 6.915 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.912 -9.585 5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -21.317 -8.177 7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -20.582 -7.565 5.685 1.00 0.00 H new ATOM 0 HE ARG A 40 -22.215 -9.952 5.952 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.565 -8.478 4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.865 -9.443 2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -22.594 -11.186 4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.571 -10.969 2.662 1.00 0.00 H new ATOM 584 N THR A 41 -17.057 -11.349 6.270 1.00 0.00 N ATOM 585 CA THR A 41 -16.757 -12.046 5.025 1.00 0.00 C ATOM 586 C THR A 41 -16.017 -13.352 5.289 1.00 0.00 C ATOM 587 O THR A 41 -15.918 -14.209 4.410 1.00 0.00 O ATOM 588 CB THR A 41 -15.909 -11.170 4.083 1.00 0.00 C ATOM 589 OG1 THR A 41 -15.964 -11.690 2.750 1.00 0.00 O ATOM 590 CG2 THR A 41 -14.463 -11.114 4.551 1.00 0.00 C ATOM 0 H THR A 41 -16.346 -10.678 6.560 1.00 0.00 H new ATOM 0 HA THR A 41 -17.712 -12.264 4.547 1.00 0.00 H new ATOM 0 HB THR A 41 -16.318 -10.160 4.096 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.968 -12.670 2.781 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.884 -10.490 3.870 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.422 -10.691 5.555 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.045 -12.121 4.564 1.00 0.00 H new ATOM 598 N HIS A 42 -15.502 -13.500 6.505 1.00 0.00 N ATOM 599 CA HIS A 42 -14.772 -14.704 6.886 1.00 0.00 C ATOM 600 C HIS A 42 -15.702 -15.914 6.923 1.00 0.00 C ATOM 601 O HIS A 42 -15.369 -16.983 6.411 1.00 0.00 O ATOM 602 CB HIS A 42 -14.108 -14.514 8.249 1.00 0.00 C ATOM 603 CG HIS A 42 -12.718 -13.960 8.167 1.00 0.00 C ATOM 604 ND1 HIS A 42 -11.808 -14.350 7.207 1.00 0.00 N ATOM 605 CD2 HIS A 42 -12.086 -13.039 8.930 1.00 0.00 C ATOM 606 CE1 HIS A 42 -10.676 -13.694 7.385 1.00 0.00 C ATOM 607 NE2 HIS A 42 -10.818 -12.891 8.425 1.00 0.00 N ATOM 0 H HIS A 42 -15.577 -12.801 7.244 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.000 -14.884 6.137 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.722 -13.845 8.853 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.078 -15.473 8.766 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -11.982 -15.038 6.474 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.502 -12.517 9.779 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.785 -13.796 6.783 1.00 0.00 H new ATOM 615 N THR A 43 -16.870 -15.737 7.533 1.00 0.00 N ATOM 616 CA THR A 43 -17.847 -16.813 7.639 1.00 0.00 C ATOM 617 C THR A 43 -18.128 -17.437 6.278 1.00 0.00 C ATOM 618 O THR A 43 -18.208 -18.658 6.148 1.00 0.00 O ATOM 619 CB THR A 43 -19.171 -16.312 8.245 1.00 0.00 C ATOM 620 OG1 THR A 43 -19.700 -15.245 7.449 1.00 0.00 O ATOM 621 CG2 THR A 43 -18.967 -15.833 9.674 1.00 0.00 C ATOM 0 H THR A 43 -17.162 -14.858 7.961 1.00 0.00 H new ATOM 0 HA THR A 43 -17.416 -17.566 8.299 1.00 0.00 H new ATOM 0 HB THR A 43 -19.877 -17.142 8.256 1.00 0.00 H new ATOM 0 HG1 THR A 43 -19.087 -14.481 7.477 1.00 0.00 H new ATOM 0 HG21 THR A 43 -19.917 -15.484 10.080 1.00 0.00 H new ATOM 0 HG22 THR A 43 -18.592 -16.655 10.283 1.00 0.00 H new ATOM 0 HG23 THR A 43 -18.246 -15.016 9.684 1.00 0.00 H new ATOM 629 N GLY A 44 -18.275 -16.591 5.263 1.00 0.00 N ATOM 630 CA GLY A 44 -18.544 -17.079 3.923 1.00 0.00 C ATOM 631 C GLY A 44 -17.534 -18.113 3.469 1.00 0.00 C ATOM 632 O GLY A 44 -16.462 -18.242 4.056 1.00 0.00 O ATOM 0 H GLY A 44 -18.213 -15.576 5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -19.543 -17.513 3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.539 -16.241 3.227 1.00 0.00 H new ATOM 636 N GLU A 45 -17.878 -18.854 2.420 1.00 0.00 N ATOM 637 CA GLU A 45 -16.993 -19.884 1.889 1.00 0.00 C ATOM 638 C GLU A 45 -16.418 -19.465 0.539 1.00 0.00 C ATOM 639 O GLU A 45 -17.092 -18.819 -0.263 1.00 0.00 O ATOM 640 CB GLU A 45 -17.746 -21.210 1.746 1.00 0.00 C ATOM 641 CG GLU A 45 -17.880 -21.977 3.049 1.00 0.00 C ATOM 642 CD GLU A 45 -16.550 -22.169 3.753 1.00 0.00 C ATOM 643 OE1 GLU A 45 -15.594 -22.634 3.098 1.00 0.00 O ATOM 644 OE2 GLU A 45 -16.466 -21.854 4.958 1.00 0.00 O ATOM 0 H GLU A 45 -18.763 -18.760 1.921 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.169 -20.016 2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.741 -21.012 1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.229 -21.835 1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.564 -21.445 3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.325 -22.952 2.848 1.00 0.00 H new ATOM 651 N LYS A 46 -15.166 -19.838 0.295 1.00 0.00 N ATOM 652 CA LYS A 46 -14.498 -19.503 -0.956 1.00 0.00 C ATOM 653 C LYS A 46 -13.724 -20.700 -1.499 1.00 0.00 C ATOM 654 O LYS A 46 -12.635 -21.030 -1.030 1.00 0.00 O ATOM 655 CB LYS A 46 -13.548 -18.320 -0.750 1.00 0.00 C ATOM 656 CG LYS A 46 -14.211 -17.112 -0.111 1.00 0.00 C ATOM 657 CD LYS A 46 -14.829 -16.198 -1.156 1.00 0.00 C ATOM 658 CE LYS A 46 -15.420 -14.948 -0.522 1.00 0.00 C ATOM 659 NZ LYS A 46 -15.671 -13.880 -1.529 1.00 0.00 N ATOM 0 H LYS A 46 -14.594 -20.373 0.948 1.00 0.00 H new ATOM 0 HA LYS A 46 -15.262 -19.227 -1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.714 -18.639 -0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.131 -18.028 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -14.982 -17.444 0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.475 -16.557 0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.071 -15.914 -1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.607 -16.736 -1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.354 -15.202 -0.022 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.740 -14.573 0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.626 -12.949 -1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.949 -13.931 -2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.613 -14.013 -1.949 1.00 0.00 H new ATOM 673 N PRO A 47 -14.299 -21.367 -2.511 1.00 0.00 N ATOM 674 CA PRO A 47 -13.680 -22.538 -3.140 1.00 0.00 C ATOM 675 C PRO A 47 -12.443 -22.173 -3.953 1.00 0.00 C ATOM 676 O PRO A 47 -11.452 -22.903 -3.957 1.00 0.00 O ATOM 677 CB PRO A 47 -14.783 -23.074 -4.056 1.00 0.00 C ATOM 678 CG PRO A 47 -15.637 -21.890 -4.353 1.00 0.00 C ATOM 679 CD PRO A 47 -15.597 -21.030 -3.120 1.00 0.00 C ATOM 0 HA PRO A 47 -13.332 -23.261 -2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.367 -23.501 -4.969 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.355 -23.862 -3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -15.262 -21.346 -5.220 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.658 -22.194 -4.584 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -15.662 -19.970 -3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -16.426 -21.252 -2.448 1.00 0.00 H new ATOM 687 N PHE A 48 -12.507 -21.037 -4.641 1.00 0.00 N ATOM 688 CA PHE A 48 -11.391 -20.575 -5.458 1.00 0.00 C ATOM 689 C PHE A 48 -10.416 -19.745 -4.629 1.00 0.00 C ATOM 690 O PHE A 48 -10.814 -18.808 -3.936 1.00 0.00 O ATOM 691 CB PHE A 48 -11.904 -19.750 -6.640 1.00 0.00 C ATOM 692 CG PHE A 48 -12.949 -20.457 -7.456 1.00 0.00 C ATOM 693 CD1 PHE A 48 -12.595 -21.483 -8.318 1.00 0.00 C ATOM 694 CD2 PHE A 48 -14.282 -20.095 -7.362 1.00 0.00 C ATOM 695 CE1 PHE A 48 -13.553 -22.136 -9.070 1.00 0.00 C ATOM 696 CE2 PHE A 48 -15.245 -20.745 -8.112 1.00 0.00 C ATOM 697 CZ PHE A 48 -14.880 -21.766 -8.968 1.00 0.00 C ATOM 0 H PHE A 48 -13.319 -20.420 -4.649 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.864 -21.451 -5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -12.318 -18.813 -6.267 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.064 -19.492 -7.285 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.559 -21.775 -8.403 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -14.573 -19.296 -6.696 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.264 -22.935 -9.737 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -16.282 -20.455 -8.029 1.00 0.00 H new ATOM 0 HZ PHE A 48 -15.630 -22.274 -9.556 1.00 0.00 H new ATOM 707 N SER A 49 -9.135 -20.095 -4.704 1.00 0.00 N ATOM 708 CA SER A 49 -8.104 -19.386 -3.958 1.00 0.00 C ATOM 709 C SER A 49 -6.798 -19.340 -4.745 1.00 0.00 C ATOM 710 O SER A 49 -6.194 -20.375 -5.028 1.00 0.00 O ATOM 711 CB SER A 49 -7.872 -20.057 -2.603 1.00 0.00 C ATOM 712 OG SER A 49 -7.633 -21.445 -2.756 1.00 0.00 O ATOM 0 H SER A 49 -8.788 -20.866 -5.275 1.00 0.00 H new ATOM 0 HA SER A 49 -8.447 -18.364 -3.796 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.022 -19.591 -2.104 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.741 -19.903 -1.964 1.00 0.00 H new ATOM 0 HG SER A 49 -7.107 -21.599 -3.569 1.00 0.00 H new ATOM 718 N CYS A 50 -6.368 -18.132 -5.096 1.00 0.00 N ATOM 719 CA CYS A 50 -5.135 -17.949 -5.853 1.00 0.00 C ATOM 720 C CYS A 50 -3.973 -18.675 -5.181 1.00 0.00 C ATOM 721 O CYS A 50 -3.960 -18.855 -3.963 1.00 0.00 O ATOM 722 CB CYS A 50 -4.811 -16.460 -5.986 1.00 0.00 C ATOM 723 SG CYS A 50 -3.104 -16.116 -6.522 1.00 0.00 S ATOM 0 H CYS A 50 -6.855 -17.265 -4.868 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.281 -18.373 -6.847 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.502 -16.011 -6.699 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.984 -15.974 -5.026 1.00 0.00 H new ATOM 728 N SER A 51 -2.998 -19.090 -5.983 1.00 0.00 N ATOM 729 CA SER A 51 -1.833 -19.800 -5.469 1.00 0.00 C ATOM 730 C SER A 51 -0.551 -19.033 -5.776 1.00 0.00 C ATOM 731 O SER A 51 -0.104 -18.984 -6.921 1.00 0.00 O ATOM 732 CB SER A 51 -1.757 -21.204 -6.071 1.00 0.00 C ATOM 733 OG SER A 51 -1.019 -22.079 -5.235 1.00 0.00 O ATOM 0 H SER A 51 -2.992 -18.946 -6.993 1.00 0.00 H new ATOM 0 HA SER A 51 -1.937 -19.882 -4.387 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.764 -21.596 -6.215 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.290 -21.156 -7.055 1.00 0.00 H new ATOM 0 HG SER A 51 -0.987 -22.970 -5.642 1.00 0.00 H new ATOM 739 N TRP A 52 0.035 -18.436 -4.744 1.00 0.00 N ATOM 740 CA TRP A 52 1.267 -17.671 -4.902 1.00 0.00 C ATOM 741 C TRP A 52 1.956 -17.466 -3.558 1.00 0.00 C ATOM 742 O TRP A 52 1.414 -17.817 -2.510 1.00 0.00 O ATOM 743 CB TRP A 52 0.970 -16.318 -5.550 1.00 0.00 C ATOM 744 CG TRP A 52 2.137 -15.752 -6.305 1.00 0.00 C ATOM 745 CD1 TRP A 52 2.923 -14.702 -5.930 1.00 0.00 C ATOM 746 CD2 TRP A 52 2.644 -16.207 -7.564 1.00 0.00 C ATOM 747 NE1 TRP A 52 3.890 -14.475 -6.879 1.00 0.00 N ATOM 748 CE2 TRP A 52 3.740 -15.386 -7.892 1.00 0.00 C ATOM 749 CE3 TRP A 52 2.280 -17.229 -8.445 1.00 0.00 C ATOM 750 CZ2 TRP A 52 4.474 -15.556 -9.063 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.008 -17.396 -9.607 1.00 0.00 C ATOM 752 CH2 TRP A 52 4.095 -16.565 -9.907 1.00 0.00 C ATOM 0 H TRP A 52 -0.323 -18.467 -3.789 1.00 0.00 H new ATOM 0 HA TRP A 52 1.937 -18.236 -5.549 1.00 0.00 H new ATOM 0 HB2 TRP A 52 0.125 -16.426 -6.230 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.669 -15.611 -4.777 1.00 0.00 H new ATOM 0 HD1 TRP A 52 2.803 -14.133 -5.020 1.00 0.00 H new ATOM 0 HE1 TRP A 52 4.603 -13.747 -6.837 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.445 -17.876 -8.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.311 -14.915 -9.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.734 -18.181 -10.296 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.645 -16.724 -10.823 1.00 0.00 H new ATOM 763 N LYS A 53 3.156 -16.894 -3.594 1.00 0.00 N ATOM 764 CA LYS A 53 3.920 -16.640 -2.379 1.00 0.00 C ATOM 765 C LYS A 53 3.710 -15.208 -1.894 1.00 0.00 C ATOM 766 O LYS A 53 4.178 -14.257 -2.519 1.00 0.00 O ATOM 767 CB LYS A 53 5.409 -16.894 -2.625 1.00 0.00 C ATOM 768 CG LYS A 53 6.279 -16.632 -1.409 1.00 0.00 C ATOM 769 CD LYS A 53 7.673 -17.210 -1.586 1.00 0.00 C ATOM 770 CE LYS A 53 8.329 -17.504 -0.246 1.00 0.00 C ATOM 771 NZ LYS A 53 7.783 -18.741 0.378 1.00 0.00 N ATOM 0 H LYS A 53 3.620 -16.598 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 53 3.565 -17.322 -1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.545 -17.928 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.746 -16.261 -3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.349 -15.558 -1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.813 -17.068 -0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.616 -18.127 -2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.290 -16.509 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.405 -17.611 -0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.176 -16.660 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.355 -18.992 1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.799 -18.576 0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.813 -19.520 -0.311 1.00 0.00 H new ATOM 785 N GLY A 54 3.006 -15.064 -0.777 1.00 0.00 N ATOM 786 CA GLY A 54 2.749 -13.745 -0.227 1.00 0.00 C ATOM 787 C GLY A 54 1.326 -13.283 -0.470 1.00 0.00 C ATOM 788 O GLY A 54 0.649 -12.823 0.450 1.00 0.00 O ATOM 0 H GLY A 54 2.609 -15.836 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.946 -13.757 0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.441 -13.029 -0.670 1.00 0.00 H new ATOM 792 N CYS A 55 0.870 -13.403 -1.712 1.00 0.00 N ATOM 793 CA CYS A 55 -0.481 -12.993 -2.075 1.00 0.00 C ATOM 794 C CYS A 55 -1.506 -13.588 -1.116 1.00 0.00 C ATOM 795 O CYS A 55 -2.132 -12.870 -0.337 1.00 0.00 O ATOM 796 CB CYS A 55 -0.799 -13.421 -3.509 1.00 0.00 C ATOM 797 SG CYS A 55 -2.567 -13.337 -3.935 1.00 0.00 S ATOM 0 H CYS A 55 1.417 -13.781 -2.485 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.534 -11.906 -2.007 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.240 -12.788 -4.198 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.448 -14.442 -3.658 1.00 0.00 H new ATOM 802 N GLU A 56 -1.673 -14.906 -1.178 1.00 0.00 N ATOM 803 CA GLU A 56 -2.623 -15.597 -0.316 1.00 0.00 C ATOM 804 C GLU A 56 -4.016 -14.988 -0.443 1.00 0.00 C ATOM 805 O GLU A 56 -4.692 -14.744 0.557 1.00 0.00 O ATOM 806 CB GLU A 56 -2.160 -15.537 1.142 1.00 0.00 C ATOM 807 CG GLU A 56 -1.211 -16.661 1.526 1.00 0.00 C ATOM 808 CD GLU A 56 0.055 -16.666 0.691 1.00 0.00 C ATOM 809 OE1 GLU A 56 1.012 -15.956 1.062 1.00 0.00 O ATOM 810 OE2 GLU A 56 0.088 -17.380 -0.333 1.00 0.00 O ATOM 0 H GLU A 56 -1.162 -15.516 -1.817 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.670 -16.639 -0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.668 -14.581 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.033 -15.571 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.947 -16.565 2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.721 -17.617 1.411 1.00 0.00 H new ATOM 817 N ARG A 57 -4.439 -14.746 -1.680 1.00 0.00 N ATOM 818 CA ARG A 57 -5.751 -14.164 -1.938 1.00 0.00 C ATOM 819 C ARG A 57 -6.689 -15.193 -2.561 1.00 0.00 C ATOM 820 O ARG A 57 -6.249 -16.097 -3.273 1.00 0.00 O ATOM 821 CB ARG A 57 -5.621 -12.952 -2.862 1.00 0.00 C ATOM 822 CG ARG A 57 -4.782 -11.827 -2.277 1.00 0.00 C ATOM 823 CD ARG A 57 -5.534 -11.079 -1.188 1.00 0.00 C ATOM 824 NE ARG A 57 -5.403 -11.727 0.113 1.00 0.00 N ATOM 825 CZ ARG A 57 -6.122 -11.391 1.178 1.00 0.00 C ATOM 826 NH1 ARG A 57 -7.018 -10.418 1.097 1.00 0.00 N ATOM 827 NH2 ARG A 57 -5.944 -12.028 2.329 1.00 0.00 N ATOM 0 H ARG A 57 -3.893 -14.944 -2.518 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.173 -13.843 -0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.178 -13.271 -3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.617 -12.571 -3.090 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.858 -12.236 -1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.500 -11.133 -3.068 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.158 -10.058 -1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.589 -11.014 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.721 -12.480 0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.157 -9.925 0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.569 -10.162 1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.254 -12.777 2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.497 -11.769 3.146 1.00 0.00 H new ATOM 841 N ARG A 58 -7.981 -15.052 -2.287 1.00 0.00 N ATOM 842 CA ARG A 58 -8.980 -15.970 -2.819 1.00 0.00 C ATOM 843 C ARG A 58 -10.279 -15.235 -3.137 1.00 0.00 C ATOM 844 O ARG A 58 -10.422 -14.048 -2.842 1.00 0.00 O ATOM 845 CB ARG A 58 -9.251 -17.096 -1.820 1.00 0.00 C ATOM 846 CG ARG A 58 -9.465 -16.610 -0.396 1.00 0.00 C ATOM 847 CD ARG A 58 -10.916 -16.224 -0.152 1.00 0.00 C ATOM 848 NE ARG A 58 -11.160 -15.869 1.244 1.00 0.00 N ATOM 849 CZ ARG A 58 -10.818 -14.701 1.777 1.00 0.00 C ATOM 850 NH1 ARG A 58 -10.222 -13.779 1.033 1.00 0.00 N ATOM 851 NH2 ARG A 58 -11.073 -14.452 3.055 1.00 0.00 N ATOM 0 H ARG A 58 -8.361 -14.310 -1.699 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.589 -16.398 -3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.132 -17.651 -2.142 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.413 -17.793 -1.835 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.173 -17.392 0.305 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.821 -15.752 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.180 -15.382 -0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.564 -17.054 -0.434 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.618 -16.556 1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.025 -13.966 0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.960 -12.883 1.444 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.532 -15.158 3.630 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.810 -13.555 3.462 1.00 0.00 H new ATOM 865 N PHE A 59 -11.223 -15.948 -3.743 1.00 0.00 N ATOM 866 CA PHE A 59 -12.509 -15.363 -4.103 1.00 0.00 C ATOM 867 C PHE A 59 -13.607 -16.424 -4.107 1.00 0.00 C ATOM 868 O PHE A 59 -13.347 -17.602 -3.865 1.00 0.00 O ATOM 869 CB PHE A 59 -12.424 -14.698 -5.478 1.00 0.00 C ATOM 870 CG PHE A 59 -11.250 -13.770 -5.623 1.00 0.00 C ATOM 871 CD1 PHE A 59 -9.957 -14.267 -5.641 1.00 0.00 C ATOM 872 CD2 PHE A 59 -11.442 -12.404 -5.742 1.00 0.00 C ATOM 873 CE1 PHE A 59 -8.877 -13.416 -5.773 1.00 0.00 C ATOM 874 CE2 PHE A 59 -10.365 -11.548 -5.876 1.00 0.00 C ATOM 875 CZ PHE A 59 -9.080 -12.055 -5.892 1.00 0.00 C ATOM 0 H PHE A 59 -11.121 -16.931 -3.995 1.00 0.00 H new ATOM 0 HA PHE A 59 -12.758 -14.609 -3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.363 -15.471 -6.244 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.343 -14.141 -5.661 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -9.792 -15.330 -5.551 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -12.445 -12.003 -5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.873 -13.815 -5.783 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -10.528 -10.484 -5.968 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.236 -11.389 -5.997 1.00 0.00 H new ATOM 885 N ALA A 60 -14.834 -15.995 -4.382 1.00 0.00 N ATOM 886 CA ALA A 60 -15.971 -16.907 -4.419 1.00 0.00 C ATOM 887 C ALA A 60 -16.274 -17.350 -5.846 1.00 0.00 C ATOM 888 O ALA A 60 -16.609 -18.510 -6.088 1.00 0.00 O ATOM 889 CB ALA A 60 -17.195 -16.249 -3.798 1.00 0.00 C ATOM 0 H ALA A 60 -15.066 -15.022 -4.582 1.00 0.00 H new ATOM 0 HA ALA A 60 -15.713 -17.793 -3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.037 -16.941 -3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -16.981 -15.988 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.445 -15.346 -4.355 1.00 0.00 H new ATOM 895 N ARG A 61 -16.153 -16.421 -6.789 1.00 0.00 N ATOM 896 CA ARG A 61 -16.415 -16.717 -8.192 1.00 0.00 C ATOM 897 C ARG A 61 -15.123 -17.075 -8.923 1.00 0.00 C ATOM 898 O ARG A 61 -14.059 -16.536 -8.621 1.00 0.00 O ATOM 899 CB ARG A 61 -17.083 -15.520 -8.871 1.00 0.00 C ATOM 900 CG ARG A 61 -18.491 -15.243 -8.370 1.00 0.00 C ATOM 901 CD ARG A 61 -19.444 -16.369 -8.738 1.00 0.00 C ATOM 902 NE ARG A 61 -19.440 -17.437 -7.742 1.00 0.00 N ATOM 903 CZ ARG A 61 -19.863 -18.673 -7.987 1.00 0.00 C ATOM 904 NH1 ARG A 61 -20.323 -18.993 -9.189 1.00 0.00 N ATOM 905 NH2 ARG A 61 -19.827 -19.590 -7.030 1.00 0.00 N ATOM 0 H ARG A 61 -15.875 -15.457 -6.606 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.087 -17.574 -8.238 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -16.469 -14.634 -8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.117 -15.695 -9.946 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.475 -15.117 -7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -18.852 -14.306 -8.794 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -20.454 -15.971 -8.839 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.164 -16.778 -9.709 1.00 0.00 H new ATOM 0 HE ARG A 61 -19.094 -17.223 -6.807 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.353 -18.290 -9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -20.647 -19.942 -9.375 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.474 -19.347 -6.104 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.152 -20.538 -7.220 1.00 0.00 H new ATOM 919 N SER A 62 -15.227 -17.987 -9.883 1.00 0.00 N ATOM 920 CA SER A 62 -14.067 -18.420 -10.654 1.00 0.00 C ATOM 921 C SER A 62 -13.614 -17.325 -11.615 1.00 0.00 C ATOM 922 O SER A 62 -12.470 -17.317 -12.070 1.00 0.00 O ATOM 923 CB SER A 62 -14.394 -19.695 -11.433 1.00 0.00 C ATOM 924 OG SER A 62 -15.771 -19.757 -11.758 1.00 0.00 O ATOM 0 H SER A 62 -16.102 -18.441 -10.146 1.00 0.00 H new ATOM 0 HA SER A 62 -13.254 -18.626 -9.957 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.800 -19.729 -12.346 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.118 -20.567 -10.841 1.00 0.00 H new ATOM 0 HG SER A 62 -15.953 -20.581 -12.257 1.00 0.00 H new ATOM 930 N ASP A 63 -14.520 -16.402 -11.920 1.00 0.00 N ATOM 931 CA ASP A 63 -14.215 -15.301 -12.826 1.00 0.00 C ATOM 932 C ASP A 63 -13.432 -14.207 -12.108 1.00 0.00 C ATOM 933 O ASP A 63 -12.444 -13.693 -12.630 1.00 0.00 O ATOM 934 CB ASP A 63 -15.504 -14.723 -13.412 1.00 0.00 C ATOM 935 CG ASP A 63 -15.936 -15.437 -14.678 1.00 0.00 C ATOM 936 OD1 ASP A 63 -15.722 -16.664 -14.770 1.00 0.00 O ATOM 937 OD2 ASP A 63 -16.489 -14.768 -15.577 1.00 0.00 O ATOM 0 H ASP A 63 -15.472 -16.395 -11.553 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.599 -15.690 -13.637 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.300 -14.792 -12.670 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.359 -13.664 -13.627 1.00 0.00 H new ATOM 942 N GLU A 64 -13.882 -13.856 -10.908 1.00 0.00 N ATOM 943 CA GLU A 64 -13.225 -12.821 -10.119 1.00 0.00 C ATOM 944 C GLU A 64 -11.815 -13.252 -9.722 1.00 0.00 C ATOM 945 O GLU A 64 -10.884 -12.446 -9.720 1.00 0.00 O ATOM 946 CB GLU A 64 -14.044 -12.504 -8.866 1.00 0.00 C ATOM 947 CG GLU A 64 -15.451 -12.014 -9.168 1.00 0.00 C ATOM 948 CD GLU A 64 -15.466 -10.630 -9.786 1.00 0.00 C ATOM 949 OE1 GLU A 64 -15.141 -9.657 -9.073 1.00 0.00 O ATOM 950 OE2 GLU A 64 -15.802 -10.519 -10.984 1.00 0.00 O ATOM 0 H GLU A 64 -14.699 -14.273 -10.461 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.154 -11.924 -10.734 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.105 -13.398 -8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -13.521 -11.746 -8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.939 -12.715 -9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.033 -12.003 -8.247 1.00 0.00 H new ATOM 957 N LEU A 65 -11.667 -14.528 -9.386 1.00 0.00 N ATOM 958 CA LEU A 65 -10.372 -15.069 -8.987 1.00 0.00 C ATOM 959 C LEU A 65 -9.435 -15.180 -10.185 1.00 0.00 C ATOM 960 O LEU A 65 -8.387 -14.536 -10.229 1.00 0.00 O ATOM 961 CB LEU A 65 -10.548 -16.441 -8.335 1.00 0.00 C ATOM 962 CG LEU A 65 -9.307 -17.332 -8.296 1.00 0.00 C ATOM 963 CD1 LEU A 65 -9.220 -18.182 -9.554 1.00 0.00 C ATOM 964 CD2 LEU A 65 -8.051 -16.488 -8.135 1.00 0.00 C ATOM 0 H LEU A 65 -12.427 -15.208 -9.382 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.928 -14.384 -8.264 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.896 -16.293 -7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.337 -16.974 -8.866 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.388 -17.998 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.330 -18.810 -9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.106 -18.813 -9.629 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.162 -17.533 -10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.177 -17.138 -8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.966 -15.799 -8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.110 -15.922 -7.205 1.00 0.00 H new ATOM 976 N SER A 66 -9.821 -16.000 -11.158 1.00 0.00 N ATOM 977 CA SER A 66 -9.015 -16.197 -12.357 1.00 0.00 C ATOM 978 C SER A 66 -8.473 -14.867 -12.872 1.00 0.00 C ATOM 979 O SER A 66 -7.283 -14.739 -13.160 1.00 0.00 O ATOM 980 CB SER A 66 -9.843 -16.880 -13.448 1.00 0.00 C ATOM 981 OG SER A 66 -9.009 -17.540 -14.383 1.00 0.00 O ATOM 0 H SER A 66 -10.687 -16.538 -11.139 1.00 0.00 H new ATOM 0 HA SER A 66 -8.172 -16.837 -12.097 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.526 -17.598 -12.994 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.455 -16.139 -13.962 1.00 0.00 H new ATOM 0 HG SER A 66 -9.562 -17.970 -15.068 1.00 0.00 H new ATOM 987 N ARG A 67 -9.356 -13.879 -12.984 1.00 0.00 N ATOM 988 CA ARG A 67 -8.966 -12.559 -13.465 1.00 0.00 C ATOM 989 C ARG A 67 -7.836 -11.982 -12.618 1.00 0.00 C ATOM 990 O ARG A 67 -6.943 -11.308 -13.131 1.00 0.00 O ATOM 991 CB ARG A 67 -10.168 -11.612 -13.445 1.00 0.00 C ATOM 992 CG ARG A 67 -9.814 -10.173 -13.781 1.00 0.00 C ATOM 993 CD ARG A 67 -10.938 -9.220 -13.407 1.00 0.00 C ATOM 994 NE ARG A 67 -11.077 -9.079 -11.960 1.00 0.00 N ATOM 995 CZ ARG A 67 -10.323 -8.268 -11.225 1.00 0.00 C ATOM 996 NH1 ARG A 67 -9.382 -7.530 -11.799 1.00 0.00 N ATOM 997 NH2 ARG A 67 -10.508 -8.194 -9.913 1.00 0.00 N ATOM 0 H ARG A 67 -10.344 -13.968 -12.749 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.610 -12.664 -14.490 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.913 -11.969 -14.155 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.628 -11.643 -12.457 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.904 -9.889 -13.253 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.604 -10.089 -14.847 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.747 -8.242 -13.850 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.876 -9.583 -13.828 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.792 -9.633 -11.488 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.236 -7.584 -12.807 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.805 -6.908 -11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.230 -8.760 -9.467 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.928 -7.571 -9.351 1.00 0.00 H new ATOM 1011 N HIS A 68 -7.882 -12.253 -11.317 1.00 0.00 N ATOM 1012 CA HIS A 68 -6.862 -11.761 -10.398 1.00 0.00 C ATOM 1013 C HIS A 68 -5.557 -12.534 -10.571 1.00 0.00 C ATOM 1014 O HIS A 68 -4.492 -12.071 -10.161 1.00 0.00 O ATOM 1015 CB HIS A 68 -7.348 -11.877 -8.953 1.00 0.00 C ATOM 1016 CG HIS A 68 -6.242 -12.074 -7.963 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -6.007 -11.210 -6.915 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -5.306 -13.047 -7.863 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -4.973 -11.641 -6.214 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -4.530 -12.754 -6.769 1.00 0.00 N ATOM 0 H HIS A 68 -8.614 -12.810 -10.876 1.00 0.00 H new ATOM 0 HA HIS A 68 -6.677 -10.712 -10.628 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.902 -10.976 -8.691 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -8.044 -12.712 -8.878 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -6.547 -10.369 -6.712 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.191 -13.896 -8.521 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.561 -11.164 -5.337 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.649 -13.711 -11.179 1.00 0.00 N ATOM 1029 CA ARG A 69 -4.476 -14.548 -11.404 1.00 0.00 C ATOM 1030 C ARG A 69 -3.694 -14.071 -12.624 1.00 0.00 C ATOM 1031 O ARG A 69 -2.478 -13.890 -12.563 1.00 0.00 O ATOM 1032 CB ARG A 69 -4.893 -16.008 -11.591 1.00 0.00 C ATOM 1033 CG ARG A 69 -5.133 -16.745 -10.283 1.00 0.00 C ATOM 1034 CD ARG A 69 -3.846 -17.344 -9.738 1.00 0.00 C ATOM 1035 NE ARG A 69 -3.623 -18.702 -10.228 1.00 0.00 N ATOM 1036 CZ ARG A 69 -2.434 -19.294 -10.238 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -1.367 -18.652 -9.788 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -2.313 -20.532 -10.700 1.00 0.00 N ATOM 0 H ARG A 69 -6.523 -14.107 -11.525 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.832 -14.471 -10.528 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.803 -16.043 -12.190 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.119 -16.529 -12.155 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.556 -16.058 -9.549 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.867 -17.536 -10.439 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.004 -16.713 -10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.883 -17.353 -8.649 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.424 -19.224 -10.582 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.457 -17.700 -9.432 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.455 -19.109 -9.797 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.133 -21.029 -11.048 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.400 -20.987 -10.708 1.00 0.00 H new ATOM 1052 N ARG A 70 -4.401 -13.870 -13.732 1.00 0.00 N ATOM 1053 CA ARG A 70 -3.773 -13.416 -14.967 1.00 0.00 C ATOM 1054 C ARG A 70 -3.066 -12.080 -14.759 1.00 0.00 C ATOM 1055 O ARG A 70 -2.055 -11.792 -15.402 1.00 0.00 O ATOM 1056 CB ARG A 70 -4.817 -13.286 -16.078 1.00 0.00 C ATOM 1057 CG ARG A 70 -5.867 -12.223 -15.802 1.00 0.00 C ATOM 1058 CD ARG A 70 -6.707 -11.937 -17.037 1.00 0.00 C ATOM 1059 NE ARG A 70 -7.611 -13.039 -17.353 1.00 0.00 N ATOM 1060 CZ ARG A 70 -8.165 -13.218 -18.547 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -7.907 -12.371 -19.535 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -8.977 -14.246 -18.756 1.00 0.00 N ATOM 0 H ARG A 70 -5.408 -14.014 -13.799 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.031 -14.158 -15.261 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.312 -13.052 -17.015 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.312 -14.247 -16.215 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.514 -12.551 -14.989 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.380 -11.306 -15.471 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.286 -11.027 -16.878 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.050 -11.752 -17.887 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.829 -13.709 -16.616 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.282 -11.580 -19.379 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.334 -12.511 -20.451 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.177 -14.900 -17.999 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.402 -14.382 -19.673 1.00 0.00 H new ATOM 1076 N THR A 71 -3.604 -11.267 -13.856 1.00 0.00 N ATOM 1077 CA THR A 71 -3.027 -9.961 -13.564 1.00 0.00 C ATOM 1078 C THR A 71 -1.611 -10.096 -13.015 1.00 0.00 C ATOM 1079 O THR A 71 -0.693 -9.408 -13.463 1.00 0.00 O ATOM 1080 CB THR A 71 -3.886 -9.182 -12.550 1.00 0.00 C ATOM 1081 OG1 THR A 71 -4.134 -9.990 -11.394 1.00 0.00 O ATOM 1082 CG2 THR A 71 -5.207 -8.758 -13.172 1.00 0.00 C ATOM 0 H THR A 71 -4.439 -11.490 -13.314 1.00 0.00 H new ATOM 0 HA THR A 71 -2.998 -9.410 -14.504 1.00 0.00 H new ATOM 0 HB THR A 71 -3.338 -8.287 -12.256 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.916 -10.924 -11.595 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.796 -8.210 -12.437 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.015 -8.118 -14.033 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.759 -9.642 -13.493 1.00 0.00 H new ATOM 1090 N HIS A 72 -1.440 -10.986 -12.044 1.00 0.00 N ATOM 1091 CA HIS A 72 -0.134 -11.213 -11.435 1.00 0.00 C ATOM 1092 C HIS A 72 0.980 -11.056 -12.466 1.00 0.00 C ATOM 1093 O HIS A 72 2.132 -11.403 -12.206 1.00 0.00 O ATOM 1094 CB HIS A 72 -0.074 -12.607 -10.810 1.00 0.00 C ATOM 1095 CG HIS A 72 -0.502 -12.638 -9.375 1.00 0.00 C ATOM 1096 ND1 HIS A 72 0.094 -11.874 -8.394 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -1.475 -13.348 -8.758 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -0.493 -12.113 -7.235 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -1.450 -13.002 -7.428 1.00 0.00 N ATOM 0 H HIS A 72 -2.189 -11.562 -11.661 1.00 0.00 H new ATOM 0 HA HIS A 72 0.010 -10.467 -10.653 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.709 -13.282 -11.385 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.945 -12.987 -10.885 1.00 0.00 H new ATOM 0 HD1 HIS A 72 0.868 -11.225 -8.540 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.146 -14.055 -9.224 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.234 -11.658 -6.290 1.00 0.00 H new TER 1107 HIS A 72 HETATM 1108 ZN ZN A 300 -9.464 -11.404 8.832 1.00 0.00 ZN HETATM 1109 ZN ZN A 400 -2.865 -13.800 -6.183 1.00 0.00 ZN