USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 623 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 Single : A 1 ASP N :NH3+ -152:sc= 0.0286 (180deg=-0.598) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.869 K(o=-0.87,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.14) USER MOD Single : A 19 SER OG : rot 180:sc= -0.474 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.491 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 127:sc= -2.04 USER MOD Single : A 35 GLN : amide:sc= -0.435 X(o=-0.44,f=0) USER MOD Single : A 38 GLN : amide:sc= 0.00902 K(o=0.009,f=-0.85) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -11:sc= -0.41 USER MOD Single : A 54 SER OG : rot 86:sc= 0.408 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00461 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -134:sc= 0.0487 USER MOD Single : A 78 ASN : amide:sc= -0.0751 X(o=-0.075,f=-0.019) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -0.254 11.969 -3.048 1.00 0.00 N ATOM 2 CA ASP A 1 0.925 11.509 -2.270 1.00 0.00 C ATOM 3 C ASP A 1 2.203 12.184 -2.758 1.00 0.00 C ATOM 4 O ASP A 1 2.156 13.141 -3.532 1.00 0.00 O ATOM 5 CB ASP A 1 1.043 9.991 -2.416 1.00 0.00 C ATOM 6 CG ASP A 1 -0.306 9.298 -2.367 1.00 0.00 C ATOM 7 OD1 ASP A 1 -1.022 9.466 -1.358 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.644 8.588 -3.338 1.00 0.00 O ATOM 0 H1 ASP A 1 -1.107 11.904 -2.457 1.00 0.00 H new ATOM 0 H2 ASP A 1 -0.112 12.956 -3.343 1.00 0.00 H new ATOM 0 H3 ASP A 1 -0.370 11.369 -3.890 1.00 0.00 H new ATOM 0 HA ASP A 1 0.790 11.777 -1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.535 9.757 -3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 1 1.678 9.601 -1.621 1.00 0.00 H new ATOM 15 N TYR A 2 3.345 11.678 -2.301 1.00 0.00 N ATOM 16 CA TYR A 2 4.637 12.231 -2.692 1.00 0.00 C ATOM 17 C TYR A 2 5.007 11.794 -4.106 1.00 0.00 C ATOM 18 O TYR A 2 4.175 11.257 -4.837 1.00 0.00 O ATOM 19 CB TYR A 2 5.723 11.794 -1.706 1.00 0.00 C ATOM 20 CG TYR A 2 5.760 10.301 -1.462 1.00 0.00 C ATOM 21 CD1 TYR A 2 6.516 9.464 -2.272 1.00 0.00 C ATOM 22 CD2 TYR A 2 5.041 9.730 -0.418 1.00 0.00 C ATOM 23 CE1 TYR A 2 6.553 8.101 -2.052 1.00 0.00 C ATOM 24 CE2 TYR A 2 5.073 8.368 -0.191 1.00 0.00 C ATOM 25 CZ TYR A 2 5.830 7.557 -1.011 1.00 0.00 C ATOM 26 OH TYR A 2 5.865 6.200 -0.788 1.00 0.00 O ATOM 0 H TYR A 2 3.402 10.887 -1.660 1.00 0.00 H new ATOM 0 HA TYR A 2 4.561 13.318 -2.675 1.00 0.00 H new ATOM 0 HB2 TYR A 2 6.694 12.115 -2.083 1.00 0.00 H new ATOM 0 HB3 TYR A 2 5.565 12.304 -0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 2 7.085 9.886 -3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 2 4.448 10.362 0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 2 7.145 7.464 -2.692 1.00 0.00 H new ATOM 0 HE2 TYR A 2 4.508 7.940 0.624 1.00 0.00 H new ATOM 0 HH TYR A 2 5.302 5.981 -0.016 1.00 0.00 H new ATOM 36 N LYS A 3 6.260 12.028 -4.485 1.00 0.00 N ATOM 37 CA LYS A 3 6.740 11.658 -5.811 1.00 0.00 C ATOM 38 C LYS A 3 6.596 10.158 -6.043 1.00 0.00 C ATOM 39 O LYS A 3 7.180 9.350 -5.321 1.00 0.00 O ATOM 40 CB LYS A 3 8.202 12.075 -5.979 1.00 0.00 C ATOM 41 CG LYS A 3 8.526 13.430 -5.372 1.00 0.00 C ATOM 42 CD LYS A 3 9.378 13.291 -4.120 1.00 0.00 C ATOM 43 CE LYS A 3 10.764 13.880 -4.322 1.00 0.00 C ATOM 44 NZ LYS A 3 11.629 13.688 -3.125 1.00 0.00 N ATOM 0 H LYS A 3 6.961 12.472 -3.892 1.00 0.00 H new ATOM 0 HA LYS A 3 6.133 12.180 -6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.841 11.320 -5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.445 12.096 -7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.052 14.042 -6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.600 13.951 -5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.886 13.792 -3.286 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.464 12.238 -3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.234 13.414 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.678 14.944 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.566 14.104 -3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.194 14.155 -2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.733 12.672 -2.931 1.00 0.00 H new ATOM 58 N ASP A 4 5.816 9.793 -7.055 1.00 0.00 N ATOM 59 CA ASP A 4 5.594 8.390 -7.383 1.00 0.00 C ATOM 60 C ASP A 4 6.667 7.878 -8.337 1.00 0.00 C ATOM 61 O ASP A 4 7.660 8.559 -8.595 1.00 0.00 O ATOM 62 CB ASP A 4 4.209 8.201 -8.004 1.00 0.00 C ATOM 63 CG ASP A 4 3.142 7.914 -6.965 1.00 0.00 C ATOM 64 OD1 ASP A 4 2.988 8.730 -6.032 1.00 0.00 O ATOM 65 OD2 ASP A 4 2.462 6.874 -7.085 1.00 0.00 O ATOM 0 H ASP A 4 5.327 10.450 -7.663 1.00 0.00 H new ATOM 0 HA ASP A 4 5.650 7.814 -6.459 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.938 9.098 -8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.244 7.380 -8.720 1.00 0.00 H new ATOM 70 N ASP A 5 6.462 6.673 -8.861 1.00 0.00 N ATOM 71 CA ASP A 5 7.411 6.069 -9.788 1.00 0.00 C ATOM 72 C ASP A 5 6.943 6.234 -11.230 1.00 0.00 C ATOM 73 O ASP A 5 5.759 6.453 -11.487 1.00 0.00 O ATOM 74 CB ASP A 5 7.598 4.584 -9.467 1.00 0.00 C ATOM 75 CG ASP A 5 6.440 4.013 -8.673 1.00 0.00 C ATOM 76 OD1 ASP A 5 5.304 4.016 -9.193 1.00 0.00 O ATOM 77 OD2 ASP A 5 6.669 3.560 -7.532 1.00 0.00 O ATOM 0 H ASP A 5 5.646 6.096 -8.658 1.00 0.00 H new ATOM 0 HA ASP A 5 8.367 6.581 -9.674 1.00 0.00 H new ATOM 0 HB2 ASP A 5 7.708 4.025 -10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.522 4.451 -8.904 1.00 0.00 H new ATOM 82 N ASP A 6 7.879 6.126 -12.167 1.00 0.00 N ATOM 83 CA ASP A 6 7.562 6.262 -13.584 1.00 0.00 C ATOM 84 C ASP A 6 6.966 4.972 -14.137 1.00 0.00 C ATOM 85 O ASP A 6 5.751 4.855 -14.295 1.00 0.00 O ATOM 86 CB ASP A 6 8.816 6.640 -14.375 1.00 0.00 C ATOM 87 CG ASP A 6 8.630 7.908 -15.184 1.00 0.00 C ATOM 88 OD1 ASP A 6 8.458 8.983 -14.571 1.00 0.00 O ATOM 89 OD2 ASP A 6 8.656 7.827 -16.430 1.00 0.00 O ATOM 0 H ASP A 6 8.863 5.945 -11.971 1.00 0.00 H new ATOM 0 HA ASP A 6 6.822 7.055 -13.689 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.651 6.771 -13.686 1.00 0.00 H new ATOM 0 HB3 ASP A 6 9.080 5.821 -15.044 1.00 0.00 H new ATOM 94 N ASP A 7 7.831 4.007 -14.426 1.00 0.00 N ATOM 95 CA ASP A 7 7.394 2.722 -14.961 1.00 0.00 C ATOM 96 C ASP A 7 7.617 1.605 -13.946 1.00 0.00 C ATOM 97 O ASP A 7 6.668 0.974 -13.483 1.00 0.00 O ATOM 98 CB ASP A 7 8.140 2.406 -16.258 1.00 0.00 C ATOM 99 CG ASP A 7 7.369 2.840 -17.490 1.00 0.00 C ATOM 100 OD1 ASP A 7 7.044 4.041 -17.593 1.00 0.00 O ATOM 101 OD2 ASP A 7 7.090 1.978 -18.350 1.00 0.00 O ATOM 0 H ASP A 7 8.840 4.090 -14.299 1.00 0.00 H new ATOM 0 HA ASP A 7 6.327 2.788 -15.171 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.110 2.903 -16.246 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.332 1.334 -16.312 1.00 0.00 H new ATOM 106 N LYS A 8 8.881 1.368 -13.606 1.00 0.00 N ATOM 107 CA LYS A 8 9.232 0.328 -12.645 1.00 0.00 C ATOM 108 C LYS A 8 8.882 0.760 -11.224 1.00 0.00 C ATOM 109 O LYS A 8 8.336 1.842 -11.010 1.00 0.00 O ATOM 110 CB LYS A 8 10.723 0.001 -12.739 1.00 0.00 C ATOM 111 CG LYS A 8 11.052 -1.037 -13.801 1.00 0.00 C ATOM 112 CD LYS A 8 11.661 -0.395 -15.037 1.00 0.00 C ATOM 113 CE LYS A 8 12.552 -1.369 -15.791 1.00 0.00 C ATOM 114 NZ LYS A 8 13.952 -0.875 -15.896 1.00 0.00 N ATOM 0 H LYS A 8 9.678 1.882 -13.982 1.00 0.00 H new ATOM 0 HA LYS A 8 8.655 -0.565 -12.886 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.274 0.916 -12.954 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.069 -0.360 -11.770 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.746 -1.771 -13.391 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.146 -1.575 -14.078 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.866 -0.044 -15.695 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.242 0.480 -14.745 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.545 -2.334 -15.284 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.148 -1.531 -16.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.527 -1.568 -16.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.963 0.034 -16.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.347 -0.745 -14.943 1.00 0.00 H new ATOM 128 N VAL A 9 9.202 -0.094 -10.257 1.00 0.00 N ATOM 129 CA VAL A 9 8.923 0.198 -8.856 1.00 0.00 C ATOM 130 C VAL A 9 10.117 -0.150 -7.973 1.00 0.00 C ATOM 131 O VAL A 9 10.305 0.436 -6.907 1.00 0.00 O ATOM 132 CB VAL A 9 7.687 -0.574 -8.355 1.00 0.00 C ATOM 133 CG1 VAL A 9 6.408 0.118 -8.800 1.00 0.00 C ATOM 134 CG2 VAL A 9 7.722 -2.015 -8.843 1.00 0.00 C ATOM 0 H VAL A 9 9.655 -0.994 -10.418 1.00 0.00 H new ATOM 0 HA VAL A 9 8.725 1.268 -8.791 1.00 0.00 H new ATOM 0 HB VAL A 9 7.706 -0.585 -7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.546 -0.442 -8.437 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.381 1.129 -8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.379 0.163 -9.889 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.841 -2.544 -8.479 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.730 -2.030 -9.933 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.620 -2.505 -8.467 1.00 0.00 H new ATOM 144 N LYS A 10 10.921 -1.107 -8.424 1.00 0.00 N ATOM 145 CA LYS A 10 12.097 -1.533 -7.676 1.00 0.00 C ATOM 146 C LYS A 10 13.339 -1.520 -8.561 1.00 0.00 C ATOM 147 O LYS A 10 13.378 -2.173 -9.604 1.00 0.00 O ATOM 148 CB LYS A 10 11.882 -2.935 -7.101 1.00 0.00 C ATOM 149 CG LYS A 10 10.985 -2.958 -5.874 1.00 0.00 C ATOM 150 CD LYS A 10 9.928 -4.045 -5.976 1.00 0.00 C ATOM 151 CE LYS A 10 8.539 -3.502 -5.678 1.00 0.00 C ATOM 152 NZ LYS A 10 8.355 -3.212 -4.228 1.00 0.00 N ATOM 0 H LYS A 10 10.779 -1.602 -9.304 1.00 0.00 H new ATOM 0 HA LYS A 10 12.249 -0.831 -6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.447 -3.572 -7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.850 -3.365 -6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.591 -3.121 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.501 -1.988 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.944 -4.477 -6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 10 10.163 -4.849 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.374 -2.592 -6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.790 -4.224 -6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.396 -2.844 -4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.487 -4.086 -3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.053 -2.504 -3.924 1.00 0.00 H new ATOM 166 N LEU A 11 14.353 -0.772 -8.137 1.00 0.00 N ATOM 167 CA LEU A 11 15.598 -0.672 -8.890 1.00 0.00 C ATOM 168 C LEU A 11 16.779 -1.154 -8.053 1.00 0.00 C ATOM 169 O LEU A 11 17.809 -1.563 -8.591 1.00 0.00 O ATOM 170 CB LEU A 11 15.833 0.770 -9.342 1.00 0.00 C ATOM 171 CG LEU A 11 14.578 1.519 -9.798 1.00 0.00 C ATOM 172 CD1 LEU A 11 14.586 2.944 -9.266 1.00 0.00 C ATOM 173 CD2 LEU A 11 14.477 1.513 -11.315 1.00 0.00 C ATOM 0 H LEU A 11 14.337 -0.226 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 11 15.513 -1.310 -9.769 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.289 1.322 -8.520 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.552 0.765 -10.161 1.00 0.00 H new ATOM 0 HG LEU A 11 13.704 1.008 -9.394 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.687 3.462 -9.600 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.611 2.925 -8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.466 3.467 -9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.579 2.050 -11.622 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.354 2.001 -11.740 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.425 0.484 -11.672 1.00 0.00 H new ATOM 185 N THR A 12 16.623 -1.101 -6.735 1.00 0.00 N ATOM 186 CA THR A 12 17.675 -1.531 -5.822 1.00 0.00 C ATOM 187 C THR A 12 17.748 -3.052 -5.744 1.00 0.00 C ATOM 188 O THR A 12 16.756 -3.744 -5.976 1.00 0.00 O ATOM 189 CB THR A 12 17.455 -0.967 -4.405 1.00 0.00 C ATOM 190 OG1 THR A 12 16.212 -1.444 -3.874 1.00 0.00 O ATOM 191 CG2 THR A 12 17.452 0.554 -4.424 1.00 0.00 C ATOM 0 H THR A 12 15.777 -0.764 -6.275 1.00 0.00 H new ATOM 0 HA THR A 12 18.614 -1.144 -6.218 1.00 0.00 H new ATOM 0 HB THR A 12 18.274 -1.307 -3.771 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.081 -1.082 -2.973 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.295 0.930 -3.413 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.409 0.915 -4.801 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.650 0.908 -5.071 1.00 0.00 H new ATOM 199 N CYS A 13 18.930 -3.566 -5.417 1.00 0.00 N ATOM 200 CA CYS A 13 19.134 -5.006 -5.309 1.00 0.00 C ATOM 201 C CYS A 13 20.076 -5.337 -4.156 1.00 0.00 C ATOM 202 O CYS A 13 20.312 -6.505 -3.850 1.00 0.00 O ATOM 203 CB CYS A 13 19.699 -5.561 -6.617 1.00 0.00 C ATOM 204 SG CYS A 13 21.414 -5.051 -6.965 1.00 0.00 S ATOM 0 H CYS A 13 19.760 -3.007 -5.222 1.00 0.00 H new ATOM 0 HA CYS A 13 18.168 -5.471 -5.111 1.00 0.00 H new ATOM 0 HB2 CYS A 13 19.655 -6.650 -6.586 1.00 0.00 H new ATOM 0 HB3 CYS A 13 19.062 -5.239 -7.441 1.00 0.00 H new ATOM 209 N TYR A 14 20.610 -4.299 -3.519 1.00 0.00 N ATOM 210 CA TYR A 14 21.527 -4.477 -2.399 1.00 0.00 C ATOM 211 C TYR A 14 21.237 -3.467 -1.293 1.00 0.00 C ATOM 212 O TYR A 14 21.981 -3.369 -0.317 1.00 0.00 O ATOM 213 CB TYR A 14 22.975 -4.334 -2.870 1.00 0.00 C ATOM 214 CG TYR A 14 23.340 -2.930 -3.296 1.00 0.00 C ATOM 215 CD1 TYR A 14 22.993 -2.452 -4.554 1.00 0.00 C ATOM 216 CD2 TYR A 14 24.032 -2.082 -2.440 1.00 0.00 C ATOM 217 CE1 TYR A 14 23.324 -1.168 -4.945 1.00 0.00 C ATOM 218 CE2 TYR A 14 24.366 -0.797 -2.824 1.00 0.00 C ATOM 219 CZ TYR A 14 24.010 -0.345 -4.077 1.00 0.00 C ATOM 220 OH TYR A 14 24.341 0.933 -4.463 1.00 0.00 O ATOM 0 H TYR A 14 20.423 -3.326 -3.760 1.00 0.00 H new ATOM 0 HA TYR A 14 21.381 -5.480 -1.998 1.00 0.00 H new ATOM 0 HB2 TYR A 14 23.642 -4.645 -2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 14 23.145 -5.013 -3.705 1.00 0.00 H new ATOM 0 HD1 TYR A 14 22.456 -3.094 -5.237 1.00 0.00 H new ATOM 0 HD2 TYR A 14 24.314 -2.433 -1.458 1.00 0.00 H new ATOM 0 HE1 TYR A 14 23.047 -0.811 -5.926 1.00 0.00 H new ATOM 0 HE2 TYR A 14 24.903 -0.150 -2.146 1.00 0.00 H new ATOM 0 HH TYR A 14 24.821 1.381 -3.735 1.00 0.00 H new ATOM 230 N GLN A 15 20.152 -2.716 -1.454 1.00 0.00 N ATOM 231 CA GLN A 15 19.764 -1.711 -0.471 1.00 0.00 C ATOM 232 C GLN A 15 18.487 -2.125 0.254 1.00 0.00 C ATOM 233 O GLN A 15 18.191 -1.626 1.340 1.00 0.00 O ATOM 234 CB GLN A 15 19.562 -0.355 -1.149 1.00 0.00 C ATOM 235 CG GLN A 15 20.731 0.069 -2.024 1.00 0.00 C ATOM 236 CD GLN A 15 20.815 1.572 -2.200 1.00 0.00 C ATOM 237 OE1 GLN A 15 21.882 2.168 -2.050 1.00 0.00 O ATOM 238 NE2 GLN A 15 19.686 2.194 -2.519 1.00 0.00 N ATOM 0 H GLN A 15 19.526 -2.785 -2.256 1.00 0.00 H new ATOM 0 HA GLN A 15 20.566 -1.627 0.262 1.00 0.00 H new ATOM 0 HB2 GLN A 15 18.659 -0.394 -1.758 1.00 0.00 H new ATOM 0 HB3 GLN A 15 19.398 0.404 -0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.660 -0.294 -1.583 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.637 -0.403 -3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 15 18.824 1.660 -2.633 1.00 0.00 H new ATOM 0 HE22 GLN A 15 19.680 3.206 -2.650 1.00 0.00 H new ATOM 247 N ASN A 16 17.738 -3.040 -0.355 1.00 0.00 N ATOM 248 CA ASN A 16 16.490 -3.527 0.226 1.00 0.00 C ATOM 249 C ASN A 16 15.517 -2.377 0.477 1.00 0.00 C ATOM 250 O ASN A 16 14.733 -2.015 -0.400 1.00 0.00 O ATOM 251 CB ASN A 16 16.766 -4.280 1.531 1.00 0.00 C ATOM 252 CG ASN A 16 16.110 -5.645 1.560 1.00 0.00 C ATOM 253 OD1 ASN A 16 16.244 -6.433 0.623 1.00 0.00 O ATOM 254 ND2 ASN A 16 15.395 -5.935 2.641 1.00 0.00 N ATOM 0 H ASN A 16 17.974 -3.460 -1.254 1.00 0.00 H new ATOM 0 HA ASN A 16 16.032 -4.213 -0.487 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.842 -4.394 1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.405 -3.688 2.372 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.931 -6.840 2.718 1.00 0.00 H new ATOM 0 HD22 ASN A 16 15.310 -5.253 3.394 1.00 0.00 H new ATOM 261 N GLY A 17 15.572 -1.807 1.677 1.00 0.00 N ATOM 262 CA GLY A 17 14.691 -0.705 2.017 1.00 0.00 C ATOM 263 C GLY A 17 13.844 -0.993 3.241 1.00 0.00 C ATOM 264 O GLY A 17 12.719 -0.509 3.352 1.00 0.00 O ATOM 0 H GLY A 17 16.211 -2.089 2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 17 15.287 0.190 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.039 -0.491 1.170 1.00 0.00 H new ATOM 268 N VAL A 18 14.387 -1.784 4.163 1.00 0.00 N ATOM 269 CA VAL A 18 13.674 -2.135 5.385 1.00 0.00 C ATOM 270 C VAL A 18 14.627 -2.687 6.440 1.00 0.00 C ATOM 271 O VAL A 18 15.560 -3.426 6.123 1.00 0.00 O ATOM 272 CB VAL A 18 12.565 -3.171 5.108 1.00 0.00 C ATOM 273 CG1 VAL A 18 13.156 -4.453 4.544 1.00 0.00 C ATOM 274 CG2 VAL A 18 11.767 -3.452 6.373 1.00 0.00 C ATOM 0 H VAL A 18 15.318 -2.193 4.086 1.00 0.00 H new ATOM 0 HA VAL A 18 13.218 -1.220 5.762 1.00 0.00 H new ATOM 0 HB VAL A 18 11.886 -2.756 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.357 -5.170 4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.675 -4.235 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.861 -4.875 5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.990 -4.185 6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.432 -3.844 7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.307 -2.529 6.726 1.00 0.00 H new ATOM 284 N SER A 19 14.385 -2.325 7.697 1.00 0.00 N ATOM 285 CA SER A 19 15.220 -2.786 8.800 1.00 0.00 C ATOM 286 C SER A 19 14.859 -4.214 9.193 1.00 0.00 C ATOM 287 O SER A 19 13.799 -4.720 8.821 1.00 0.00 O ATOM 288 CB SER A 19 15.069 -1.858 10.007 1.00 0.00 C ATOM 289 OG SER A 19 13.837 -1.160 9.963 1.00 0.00 O ATOM 0 H SER A 19 13.617 -1.714 7.976 1.00 0.00 H new ATOM 0 HA SER A 19 16.258 -2.770 8.468 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.128 -2.440 10.927 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.894 -1.145 10.027 1.00 0.00 H new ATOM 0 HG SER A 19 13.764 -0.575 10.746 1.00 0.00 H new ATOM 295 N PHE A 20 15.745 -4.861 9.944 1.00 0.00 N ATOM 296 CA PHE A 20 15.516 -6.231 10.382 1.00 0.00 C ATOM 297 C PHE A 20 15.384 -6.307 11.900 1.00 0.00 C ATOM 298 O PHE A 20 15.892 -5.447 12.620 1.00 0.00 O ATOM 299 CB PHE A 20 16.656 -7.132 9.910 1.00 0.00 C ATOM 300 CG PHE A 20 16.404 -7.771 8.572 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.155 -8.282 8.254 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.417 -7.855 7.631 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.923 -8.867 7.024 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.192 -8.438 6.400 1.00 0.00 C ATOM 305 CZ PHE A 20 15.944 -8.945 6.096 1.00 0.00 C ATOM 0 H PHE A 20 16.627 -4.458 10.261 1.00 0.00 H new ATOM 0 HA PHE A 20 14.581 -6.576 9.941 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.573 -6.545 9.856 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.821 -7.914 10.651 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.354 -8.222 8.976 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.395 -7.460 7.863 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.946 -9.262 6.788 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.991 -8.497 5.676 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.766 -9.402 5.134 1.00 0.00 H new ATOM 315 N THR A 21 14.699 -7.341 12.377 1.00 0.00 N ATOM 316 CA THR A 21 14.500 -7.530 13.810 1.00 0.00 C ATOM 317 C THR A 21 14.128 -8.973 14.128 1.00 0.00 C ATOM 318 O THR A 21 13.894 -9.777 13.225 1.00 0.00 O ATOM 319 CB THR A 21 13.401 -6.594 14.352 1.00 0.00 C ATOM 320 OG1 THR A 21 13.071 -6.947 15.700 1.00 0.00 O ATOM 321 CG2 THR A 21 12.153 -6.666 13.484 1.00 0.00 C ATOM 0 H THR A 21 14.273 -8.061 11.793 1.00 0.00 H new ATOM 0 HA THR A 21 15.445 -7.288 14.296 1.00 0.00 H new ATOM 0 HB THR A 21 13.784 -5.574 14.330 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.374 -6.345 16.034 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.391 -5.998 13.886 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.400 -6.365 12.466 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.772 -7.687 13.478 1.00 0.00 H new ATOM 329 N GLY A 22 14.077 -9.295 15.416 1.00 0.00 N ATOM 330 CA GLY A 22 13.735 -10.641 15.833 1.00 0.00 C ATOM 331 C GLY A 22 14.943 -11.556 15.885 1.00 0.00 C ATOM 332 O GLY A 22 15.204 -12.192 16.906 1.00 0.00 O ATOM 0 H GLY A 22 14.267 -8.646 16.180 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.267 -10.606 16.817 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.998 -11.055 15.145 1.00 0.00 H new ATOM 336 N GLY A 23 15.680 -11.621 14.782 1.00 0.00 N ATOM 337 CA GLY A 23 16.858 -12.466 14.725 1.00 0.00 C ATOM 338 C GLY A 23 17.970 -11.970 15.629 1.00 0.00 C ATOM 339 O GLY A 23 17.871 -10.889 16.208 1.00 0.00 O ATOM 0 H GLY A 23 15.483 -11.103 13.926 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.587 -13.482 15.011 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.221 -12.510 13.698 1.00 0.00 H new ATOM 343 N LYS A 24 19.030 -12.763 15.750 1.00 0.00 N ATOM 344 CA LYS A 24 20.166 -12.398 16.591 1.00 0.00 C ATOM 345 C LYS A 24 21.355 -11.967 15.740 1.00 0.00 C ATOM 346 O LYS A 24 22.054 -12.801 15.162 1.00 0.00 O ATOM 347 CB LYS A 24 20.566 -13.570 17.492 1.00 0.00 C ATOM 348 CG LYS A 24 19.864 -14.875 17.155 1.00 0.00 C ATOM 349 CD LYS A 24 18.524 -14.987 17.865 1.00 0.00 C ATOM 350 CE LYS A 24 17.781 -16.249 17.458 1.00 0.00 C ATOM 351 NZ LYS A 24 16.751 -16.636 18.461 1.00 0.00 N ATOM 0 H LYS A 24 19.127 -13.662 15.277 1.00 0.00 H new ATOM 0 HA LYS A 24 19.864 -11.558 17.217 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.643 -13.719 17.420 1.00 0.00 H new ATOM 0 HB3 LYS A 24 20.349 -13.309 18.528 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.712 -14.940 16.078 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.499 -15.715 17.439 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.682 -14.988 18.944 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.914 -14.114 17.633 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.304 -16.093 16.490 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.493 -17.065 17.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.267 -17.501 18.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.208 -16.810 19.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.057 -15.868 18.560 1.00 0.00 H new ATOM 365 N ALA A 25 21.579 -10.660 15.667 1.00 0.00 N ATOM 366 CA ALA A 25 22.683 -10.114 14.886 1.00 0.00 C ATOM 367 C ALA A 25 24.028 -10.502 15.492 1.00 0.00 C ATOM 368 O ALA A 25 24.308 -10.193 16.651 1.00 0.00 O ATOM 369 CB ALA A 25 22.564 -8.599 14.790 1.00 0.00 C ATOM 0 H ALA A 25 21.010 -9.958 16.140 1.00 0.00 H new ATOM 0 HA ALA A 25 22.629 -10.536 13.883 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.395 -8.205 14.204 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.623 -8.338 14.306 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.589 -8.168 15.791 1.00 0.00 H new ATOM 375 N ILE A 26 24.859 -11.173 14.700 1.00 0.00 N ATOM 376 CA ILE A 26 26.177 -11.594 15.158 1.00 0.00 C ATOM 377 C ILE A 26 27.009 -10.389 15.573 1.00 0.00 C ATOM 378 O ILE A 26 27.941 -10.504 16.370 1.00 0.00 O ATOM 379 CB ILE A 26 26.934 -12.373 14.064 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.187 -11.477 12.849 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.152 -13.614 13.661 1.00 0.00 C ATOM 382 CD1 ILE A 26 28.618 -11.000 12.732 1.00 0.00 C ATOM 0 H ILE A 26 24.642 -11.436 13.739 1.00 0.00 H new ATOM 0 HA ILE A 26 26.025 -12.250 16.015 1.00 0.00 H new ATOM 0 HB ILE A 26 27.897 -12.688 14.464 1.00 0.00 H new ATOM 0 HG12 ILE A 26 26.920 -12.023 11.944 1.00 0.00 H new ATOM 0 HG13 ILE A 26 26.528 -10.611 12.904 1.00 0.00 H new ATOM 0 HG21 ILE A 26 26.699 -14.154 12.888 1.00 0.00 H new ATOM 0 HG22 ILE A 26 26.020 -14.259 14.530 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.176 -13.320 13.276 1.00 0.00 H new ATOM 0 HD11 ILE A 26 28.721 -10.371 11.848 1.00 0.00 H new ATOM 0 HD12 ILE A 26 28.884 -10.425 13.619 1.00 0.00 H new ATOM 0 HD13 ILE A 26 29.282 -11.860 12.644 1.00 0.00 H new ATOM 394 N SER A 27 26.660 -9.232 15.023 1.00 0.00 N ATOM 395 CA SER A 27 27.361 -7.992 15.320 1.00 0.00 C ATOM 396 C SER A 27 26.570 -6.799 14.813 1.00 0.00 C ATOM 397 O SER A 27 25.832 -6.901 13.834 1.00 0.00 O ATOM 398 CB SER A 27 28.753 -8.007 14.695 1.00 0.00 C ATOM 399 OG SER A 27 29.647 -7.176 15.414 1.00 0.00 O ATOM 0 H SER A 27 25.889 -9.128 14.364 1.00 0.00 H new ATOM 0 HA SER A 27 27.464 -7.905 16.402 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.136 -9.028 14.677 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.693 -7.671 13.660 1.00 0.00 H new ATOM 0 HG SER A 27 30.531 -7.206 14.993 1.00 0.00 H new ATOM 405 N GLU A 28 26.722 -5.670 15.489 1.00 0.00 N ATOM 406 CA GLU A 28 26.014 -4.456 15.115 1.00 0.00 C ATOM 407 C GLU A 28 26.936 -3.247 15.190 1.00 0.00 C ATOM 408 O GLU A 28 27.750 -3.128 16.106 1.00 0.00 O ATOM 409 CB GLU A 28 24.809 -4.247 16.031 1.00 0.00 C ATOM 410 CG GLU A 28 24.385 -5.502 16.781 1.00 0.00 C ATOM 411 CD GLU A 28 24.125 -5.242 18.251 1.00 0.00 C ATOM 412 OE1 GLU A 28 25.072 -4.839 18.960 1.00 0.00 O ATOM 413 OE2 GLU A 28 22.975 -5.442 18.695 1.00 0.00 O ATOM 0 H GLU A 28 27.331 -5.570 16.301 1.00 0.00 H new ATOM 0 HA GLU A 28 25.669 -4.565 14.087 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.044 -3.465 16.753 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.969 -3.889 15.436 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.483 -5.908 16.322 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.162 -6.260 16.682 1.00 0.00 H new ATOM 420 N ALA A 29 26.803 -2.351 14.220 1.00 0.00 N ATOM 421 CA ALA A 29 27.625 -1.147 14.175 1.00 0.00 C ATOM 422 C ALA A 29 26.766 0.110 14.180 1.00 0.00 C ATOM 423 O ALA A 29 26.269 0.537 13.138 1.00 0.00 O ATOM 424 CB ALA A 29 28.522 -1.167 12.948 1.00 0.00 C ATOM 0 H ALA A 29 26.134 -2.435 13.454 1.00 0.00 H new ATOM 0 HA ALA A 29 28.247 -1.132 15.070 1.00 0.00 H new ATOM 0 HB1 ALA A 29 29.130 -0.263 12.927 1.00 0.00 H new ATOM 0 HB2 ALA A 29 29.173 -2.041 12.987 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.908 -1.212 12.049 1.00 0.00 H new ATOM 430 N LYS A 30 26.597 0.703 15.358 1.00 0.00 N ATOM 431 CA LYS A 30 25.801 1.918 15.495 1.00 0.00 C ATOM 432 C LYS A 30 26.358 3.027 14.610 1.00 0.00 C ATOM 433 O LYS A 30 27.262 3.760 15.011 1.00 0.00 O ATOM 434 CB LYS A 30 25.774 2.374 16.955 1.00 0.00 C ATOM 435 CG LYS A 30 24.809 1.582 17.823 1.00 0.00 C ATOM 436 CD LYS A 30 24.705 2.170 19.220 1.00 0.00 C ATOM 437 CE LYS A 30 23.294 2.650 19.519 1.00 0.00 C ATOM 438 NZ LYS A 30 23.171 3.185 20.903 1.00 0.00 N ATOM 0 H LYS A 30 27.000 0.362 16.231 1.00 0.00 H new ATOM 0 HA LYS A 30 24.782 1.698 15.176 1.00 0.00 H new ATOM 0 HB2 LYS A 30 26.778 2.289 17.372 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.501 3.429 16.992 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.824 1.572 17.357 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.142 0.546 17.887 1.00 0.00 H new ATOM 0 HD2 LYS A 30 24.998 1.420 19.954 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.402 3.002 19.318 1.00 0.00 H new ATOM 0 HE2 LYS A 30 23.015 3.424 18.804 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.594 1.825 19.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.194 3.502 21.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.413 2.439 21.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 23.820 3.988 21.024 1.00 0.00 H new ATOM 452 N ALA A 31 25.817 3.140 13.402 1.00 0.00 N ATOM 453 CA ALA A 31 26.266 4.153 12.455 1.00 0.00 C ATOM 454 C ALA A 31 25.085 4.878 11.819 1.00 0.00 C ATOM 455 O ALA A 31 24.012 4.302 11.641 1.00 0.00 O ATOM 456 CB ALA A 31 27.132 3.514 11.379 1.00 0.00 C ATOM 0 H ALA A 31 25.067 2.542 13.056 1.00 0.00 H new ATOM 0 HA ALA A 31 26.857 4.889 13.001 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.463 4.279 10.676 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.001 3.046 11.842 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.553 2.759 10.847 1.00 0.00 H new ATOM 462 N ALA A 32 25.296 6.144 11.473 1.00 0.00 N ATOM 463 CA ALA A 32 24.253 6.950 10.850 1.00 0.00 C ATOM 464 C ALA A 32 24.283 6.796 9.334 1.00 0.00 C ATOM 465 O ALA A 32 23.459 7.375 8.625 1.00 0.00 O ATOM 466 CB ALA A 32 24.413 8.411 11.240 1.00 0.00 C ATOM 0 H ALA A 32 26.180 6.633 11.614 1.00 0.00 H new ATOM 0 HA ALA A 32 23.286 6.597 11.208 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.628 9.002 10.768 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.339 8.509 12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.387 8.771 10.909 1.00 0.00 H new ATOM 472 N SER A 33 25.239 6.013 8.843 1.00 0.00 N ATOM 473 CA SER A 33 25.380 5.779 7.412 1.00 0.00 C ATOM 474 C SER A 33 25.852 4.355 7.140 1.00 0.00 C ATOM 475 O SER A 33 26.732 3.840 7.830 1.00 0.00 O ATOM 476 CB SER A 33 26.365 6.781 6.804 1.00 0.00 C ATOM 477 OG SER A 33 27.529 6.901 7.604 1.00 0.00 O ATOM 0 H SER A 33 25.929 5.529 9.418 1.00 0.00 H new ATOM 0 HA SER A 33 24.403 5.915 6.948 1.00 0.00 H new ATOM 0 HB2 SER A 33 26.642 6.460 5.800 1.00 0.00 H new ATOM 0 HB3 SER A 33 25.885 7.755 6.707 1.00 0.00 H new ATOM 0 HG SER A 33 28.143 7.545 7.194 1.00 0.00 H new ATOM 483 N SER A 34 25.259 3.725 6.131 1.00 0.00 N ATOM 484 CA SER A 34 25.614 2.359 5.765 1.00 0.00 C ATOM 485 C SER A 34 27.103 2.242 5.457 1.00 0.00 C ATOM 486 O SER A 34 27.697 1.176 5.616 1.00 0.00 O ATOM 487 CB SER A 34 24.802 1.908 4.552 1.00 0.00 C ATOM 488 OG SER A 34 23.511 2.496 4.553 1.00 0.00 O ATOM 0 H SER A 34 24.529 4.140 5.552 1.00 0.00 H new ATOM 0 HA SER A 34 25.384 1.715 6.614 1.00 0.00 H new ATOM 0 HB2 SER A 34 25.328 2.180 3.637 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.710 0.822 4.556 1.00 0.00 H new ATOM 0 HG SER A 34 23.353 2.940 3.694 1.00 0.00 H new ATOM 494 N GLN A 35 27.696 3.346 5.013 1.00 0.00 N ATOM 495 CA GLN A 35 29.116 3.371 4.678 1.00 0.00 C ATOM 496 C GLN A 35 29.955 2.842 5.837 1.00 0.00 C ATOM 497 O GLN A 35 30.852 2.021 5.643 1.00 0.00 O ATOM 498 CB GLN A 35 29.541 4.797 4.312 1.00 0.00 C ATOM 499 CG GLN A 35 31.002 5.105 4.602 1.00 0.00 C ATOM 500 CD GLN A 35 31.935 4.580 3.528 1.00 0.00 C ATOM 501 OE1 GLN A 35 32.658 5.344 2.891 1.00 0.00 O ATOM 502 NE2 GLN A 35 31.921 3.267 3.322 1.00 0.00 N ATOM 0 H GLN A 35 27.215 4.235 4.877 1.00 0.00 H new ATOM 0 HA GLN A 35 29.283 2.722 3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.350 4.960 3.251 1.00 0.00 H new ATOM 0 HB3 GLN A 35 28.917 5.502 4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.130 6.184 4.694 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.278 4.668 5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 35 31.305 2.671 3.874 1.00 0.00 H new ATOM 0 HE22 GLN A 35 32.527 2.856 2.612 1.00 0.00 H new ATOM 511 N ALA A 36 29.654 3.312 7.040 1.00 0.00 N ATOM 512 CA ALA A 36 30.376 2.882 8.230 1.00 0.00 C ATOM 513 C ALA A 36 30.102 1.412 8.524 1.00 0.00 C ATOM 514 O ALA A 36 30.950 0.710 9.075 1.00 0.00 O ATOM 515 CB ALA A 36 29.994 3.744 9.423 1.00 0.00 C ATOM 0 H ALA A 36 28.914 3.992 7.218 1.00 0.00 H new ATOM 0 HA ALA A 36 31.444 3.000 8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.542 3.410 10.304 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.242 4.785 9.214 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.923 3.656 9.607 1.00 0.00 H new ATOM 521 N CYS A 37 28.915 0.953 8.141 1.00 0.00 N ATOM 522 CA CYS A 37 28.528 -0.436 8.352 1.00 0.00 C ATOM 523 C CYS A 37 29.187 -1.330 7.308 1.00 0.00 C ATOM 524 O CYS A 37 29.327 -2.537 7.505 1.00 0.00 O ATOM 525 CB CYS A 37 27.006 -0.582 8.284 1.00 0.00 C ATOM 526 SG CYS A 37 26.418 -2.308 8.273 1.00 0.00 S ATOM 0 H CYS A 37 28.205 1.524 7.683 1.00 0.00 H new ATOM 0 HA CYS A 37 28.864 -0.743 9.342 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.565 -0.065 9.136 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.644 -0.081 7.386 1.00 0.00 H new ATOM 531 N GLN A 38 29.597 -0.722 6.198 1.00 0.00 N ATOM 532 CA GLN A 38 30.250 -1.454 5.120 1.00 0.00 C ATOM 533 C GLN A 38 31.690 -1.782 5.494 1.00 0.00 C ATOM 534 O GLN A 38 32.151 -2.907 5.301 1.00 0.00 O ATOM 535 CB GLN A 38 30.218 -0.637 3.827 1.00 0.00 C ATOM 536 CG GLN A 38 28.837 -0.542 3.199 1.00 0.00 C ATOM 537 CD GLN A 38 28.641 -1.537 2.072 1.00 0.00 C ATOM 538 OE1 GLN A 38 29.517 -1.716 1.226 1.00 0.00 O ATOM 539 NE2 GLN A 38 27.484 -2.190 2.054 1.00 0.00 N ATOM 0 H GLN A 38 29.488 0.277 6.023 1.00 0.00 H new ATOM 0 HA GLN A 38 29.709 -2.387 4.961 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.583 0.369 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 38 30.905 -1.084 3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.081 -0.712 3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.683 0.468 2.818 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.786 -2.010 2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.294 -2.871 1.319 1.00 0.00 H new ATOM 548 N GLU A 39 32.393 -0.793 6.040 1.00 0.00 N ATOM 549 CA GLU A 39 33.780 -0.981 6.450 1.00 0.00 C ATOM 550 C GLU A 39 33.852 -1.872 7.683 1.00 0.00 C ATOM 551 O GLU A 39 34.751 -2.703 7.812 1.00 0.00 O ATOM 552 CB GLU A 39 34.436 0.369 6.740 1.00 0.00 C ATOM 553 CG GLU A 39 34.998 1.052 5.503 1.00 0.00 C ATOM 554 CD GLU A 39 36.422 0.630 5.199 1.00 0.00 C ATOM 555 OE1 GLU A 39 37.248 0.611 6.137 1.00 0.00 O ATOM 556 OE2 GLU A 39 36.712 0.319 4.026 1.00 0.00 O ATOM 0 H GLU A 39 32.026 0.144 6.208 1.00 0.00 H new ATOM 0 HA GLU A 39 34.318 -1.465 5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.703 1.027 7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.240 0.225 7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.364 0.822 4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 39 34.965 2.132 5.643 1.00 0.00 H new ATOM 563 N LEU A 40 32.889 -1.698 8.580 1.00 0.00 N ATOM 564 CA LEU A 40 32.824 -2.488 9.802 1.00 0.00 C ATOM 565 C LEU A 40 32.589 -3.958 9.469 1.00 0.00 C ATOM 566 O LEU A 40 33.352 -4.831 9.883 1.00 0.00 O ATOM 567 CB LEU A 40 31.705 -1.956 10.710 1.00 0.00 C ATOM 568 CG LEU A 40 31.378 -2.799 11.952 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.308 -3.832 11.631 1.00 0.00 C ATOM 570 CD2 LEU A 40 32.624 -3.474 12.504 1.00 0.00 C ATOM 0 H LEU A 40 32.139 -1.013 8.483 1.00 0.00 H new ATOM 0 HA LEU A 40 33.774 -2.403 10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 40 31.979 -0.954 11.039 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.798 -1.859 10.114 1.00 0.00 H new ATOM 0 HG LEU A 40 30.993 -2.128 12.720 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.090 -4.419 12.523 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.401 -3.326 11.299 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.665 -4.492 10.840 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.360 -4.063 13.382 1.00 0.00 H new ATOM 0 HD22 LEU A 40 33.051 -4.128 11.743 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.356 -2.716 12.782 1.00 0.00 H new ATOM 582 N CYS A 41 31.527 -4.218 8.716 1.00 0.00 N ATOM 583 CA CYS A 41 31.180 -5.576 8.317 1.00 0.00 C ATOM 584 C CYS A 41 32.335 -6.239 7.573 1.00 0.00 C ATOM 585 O CYS A 41 32.527 -7.452 7.659 1.00 0.00 O ATOM 586 CB CYS A 41 29.934 -5.552 7.435 1.00 0.00 C ATOM 587 SG CYS A 41 28.807 -6.960 7.686 1.00 0.00 S ATOM 0 H CYS A 41 30.889 -3.502 8.368 1.00 0.00 H new ATOM 0 HA CYS A 41 30.977 -6.158 9.216 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.388 -4.627 7.623 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.244 -5.532 6.390 1.00 0.00 H new ATOM 592 N GLU A 42 33.102 -5.435 6.842 1.00 0.00 N ATOM 593 CA GLU A 42 34.238 -5.944 6.082 1.00 0.00 C ATOM 594 C GLU A 42 35.306 -6.514 7.009 1.00 0.00 C ATOM 595 O GLU A 42 36.004 -7.465 6.659 1.00 0.00 O ATOM 596 CB GLU A 42 34.838 -4.833 5.218 1.00 0.00 C ATOM 597 CG GLU A 42 34.262 -4.776 3.814 1.00 0.00 C ATOM 598 CD GLU A 42 35.292 -4.372 2.777 1.00 0.00 C ATOM 599 OE1 GLU A 42 35.539 -3.158 2.627 1.00 0.00 O ATOM 600 OE2 GLU A 42 35.853 -5.271 2.115 1.00 0.00 O ATOM 0 H GLU A 42 32.957 -4.429 6.760 1.00 0.00 H new ATOM 0 HA GLU A 42 33.879 -6.746 5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.673 -3.874 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 42 35.917 -4.977 5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 42 33.853 -5.752 3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 42 33.434 -4.067 3.793 1.00 0.00 H new ATOM 607 N LYS A 43 35.430 -5.925 8.195 1.00 0.00 N ATOM 608 CA LYS A 43 36.416 -6.373 9.173 1.00 0.00 C ATOM 609 C LYS A 43 35.847 -7.481 10.054 1.00 0.00 C ATOM 610 O LYS A 43 36.346 -7.732 11.152 1.00 0.00 O ATOM 611 CB LYS A 43 36.873 -5.200 10.041 1.00 0.00 C ATOM 612 CG LYS A 43 37.579 -4.104 9.259 1.00 0.00 C ATOM 613 CD LYS A 43 39.068 -4.069 9.567 1.00 0.00 C ATOM 614 CE LYS A 43 39.887 -3.754 8.326 1.00 0.00 C ATOM 615 NZ LYS A 43 41.100 -4.612 8.229 1.00 0.00 N ATOM 0 H LYS A 43 34.860 -5.137 8.502 1.00 0.00 H new ATOM 0 HA LYS A 43 37.273 -6.771 8.630 1.00 0.00 H new ATOM 0 HB2 LYS A 43 36.007 -4.774 10.547 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.543 -5.572 10.816 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.431 -4.265 8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 43 37.134 -3.139 9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.264 -3.319 10.334 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.379 -5.031 9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 43 39.270 -3.895 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 43 40.184 -2.705 8.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 41.631 -4.366 7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 41.701 -4.459 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 40.816 -5.611 8.186 1.00 0.00 H new ATOM 629 N ASP A 44 34.800 -8.141 9.567 1.00 0.00 N ATOM 630 CA ASP A 44 34.166 -9.222 10.311 1.00 0.00 C ATOM 631 C ASP A 44 34.091 -10.493 9.470 1.00 0.00 C ATOM 632 O ASP A 44 33.804 -10.441 8.274 1.00 0.00 O ATOM 633 CB ASP A 44 32.761 -8.809 10.755 1.00 0.00 C ATOM 634 CG ASP A 44 32.640 -8.698 12.263 1.00 0.00 C ATOM 635 OD1 ASP A 44 33.432 -7.945 12.867 1.00 0.00 O ATOM 636 OD2 ASP A 44 31.754 -9.364 12.838 1.00 0.00 O ATOM 0 H ASP A 44 34.374 -7.946 8.661 1.00 0.00 H new ATOM 0 HA ASP A 44 34.774 -9.426 11.192 1.00 0.00 H new ATOM 0 HB2 ASP A 44 32.507 -7.851 10.301 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.038 -9.538 10.388 1.00 0.00 H new ATOM 641 N ALA A 45 34.353 -11.633 10.103 1.00 0.00 N ATOM 642 CA ALA A 45 34.317 -12.917 9.415 1.00 0.00 C ATOM 643 C ALA A 45 32.905 -13.494 9.400 1.00 0.00 C ATOM 644 O ALA A 45 32.494 -14.132 8.431 1.00 0.00 O ATOM 645 CB ALA A 45 35.282 -13.894 10.069 1.00 0.00 C ATOM 0 H ALA A 45 34.593 -11.692 11.093 1.00 0.00 H new ATOM 0 HA ALA A 45 34.625 -12.756 8.382 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.244 -14.849 9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.294 -13.493 10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.000 -14.041 11.111 1.00 0.00 H new ATOM 651 N LYS A 46 32.168 -13.264 10.483 1.00 0.00 N ATOM 652 CA LYS A 46 30.800 -13.759 10.597 1.00 0.00 C ATOM 653 C LYS A 46 29.824 -12.827 9.889 1.00 0.00 C ATOM 654 O LYS A 46 28.608 -12.990 9.991 1.00 0.00 O ATOM 655 CB LYS A 46 30.411 -13.902 12.070 1.00 0.00 C ATOM 656 CG LYS A 46 30.920 -15.182 12.712 1.00 0.00 C ATOM 657 CD LYS A 46 29.975 -16.346 12.459 1.00 0.00 C ATOM 658 CE LYS A 46 29.404 -16.893 13.758 1.00 0.00 C ATOM 659 NZ LYS A 46 28.826 -18.254 13.580 1.00 0.00 N ATOM 0 H LYS A 46 32.495 -12.738 11.294 1.00 0.00 H new ATOM 0 HA LYS A 46 30.751 -14.737 10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 46 30.800 -13.048 12.624 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.325 -13.870 12.155 1.00 0.00 H new ATOM 0 HG2 LYS A 46 31.907 -15.421 12.317 1.00 0.00 H new ATOM 0 HG3 LYS A 46 31.034 -15.031 13.785 1.00 0.00 H new ATOM 0 HD2 LYS A 46 29.161 -16.021 11.811 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.505 -17.139 11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 46 30.189 -16.928 14.514 1.00 0.00 H new ATOM 0 HE3 LYS A 46 28.634 -16.217 14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 28.447 -18.592 14.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 28.060 -18.217 12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 29.567 -18.905 13.250 1.00 0.00 H new ATOM 673 N CYS A 47 30.365 -11.850 9.169 1.00 0.00 N ATOM 674 CA CYS A 47 29.545 -10.890 8.440 1.00 0.00 C ATOM 675 C CYS A 47 29.241 -11.391 7.032 1.00 0.00 C ATOM 676 O CYS A 47 30.145 -11.776 6.291 1.00 0.00 O ATOM 677 CB CYS A 47 30.253 -9.534 8.372 1.00 0.00 C ATOM 678 SG CYS A 47 29.818 -8.539 6.909 1.00 0.00 S ATOM 0 H CYS A 47 31.370 -11.702 9.075 1.00 0.00 H new ATOM 0 HA CYS A 47 28.602 -10.774 8.974 1.00 0.00 H new ATOM 0 HB2 CYS A 47 30.012 -8.965 9.270 1.00 0.00 H new ATOM 0 HB3 CYS A 47 31.331 -9.698 8.379 1.00 0.00 H new ATOM 683 N ARG A 48 27.962 -11.383 6.670 1.00 0.00 N ATOM 684 CA ARG A 48 27.538 -11.836 5.350 1.00 0.00 C ATOM 685 C ARG A 48 26.380 -10.988 4.832 1.00 0.00 C ATOM 686 O ARG A 48 26.462 -10.401 3.752 1.00 0.00 O ATOM 687 CB ARG A 48 27.122 -13.308 5.402 1.00 0.00 C ATOM 688 CG ARG A 48 28.002 -14.218 4.560 1.00 0.00 C ATOM 689 CD ARG A 48 28.857 -15.127 5.427 1.00 0.00 C ATOM 690 NE ARG A 48 30.264 -15.092 5.036 1.00 0.00 N ATOM 691 CZ ARG A 48 31.219 -15.777 5.656 1.00 0.00 C ATOM 692 NH1 ARG A 48 30.921 -16.549 6.693 1.00 0.00 N ATOM 693 NH2 ARG A 48 32.475 -15.693 5.240 1.00 0.00 N ATOM 0 H ARG A 48 27.201 -11.068 7.272 1.00 0.00 H new ATOM 0 HA ARG A 48 28.381 -11.727 4.667 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.147 -13.648 6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.090 -13.398 5.062 1.00 0.00 H new ATOM 0 HG2 ARG A 48 27.377 -14.823 3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 48 28.645 -13.613 3.921 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.763 -14.826 6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.486 -16.150 5.356 1.00 0.00 H new ATOM 0 HE ARG A 48 30.528 -14.509 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.956 -16.618 7.017 1.00 0.00 H new ATOM 0 HH12 ARG A 48 31.657 -17.073 7.166 1.00 0.00 H new ATOM 0 HH21 ARG A 48 32.710 -15.102 4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 48 33.207 -16.220 5.717 1.00 0.00 H new ATOM 707 N PHE A 49 25.305 -10.924 5.612 1.00 0.00 N ATOM 708 CA PHE A 49 24.131 -10.145 5.235 1.00 0.00 C ATOM 709 C PHE A 49 23.912 -8.990 6.207 1.00 0.00 C ATOM 710 O PHE A 49 23.168 -9.118 7.180 1.00 0.00 O ATOM 711 CB PHE A 49 22.888 -11.038 5.199 1.00 0.00 C ATOM 712 CG PHE A 49 23.097 -12.335 4.472 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.308 -12.352 3.102 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.080 -13.539 5.158 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.498 -13.544 2.430 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.271 -14.735 4.492 1.00 0.00 C ATOM 717 CZ PHE A 49 23.479 -14.737 3.126 1.00 0.00 C ATOM 0 H PHE A 49 25.223 -11.402 6.509 1.00 0.00 H new ATOM 0 HA PHE A 49 24.303 -9.734 4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.575 -11.251 6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.073 -10.492 4.723 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.324 -11.422 2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 49 22.916 -13.543 6.225 1.00 0.00 H new ATOM 0 HE1 PHE A 49 23.661 -13.543 1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.258 -15.666 5.038 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.627 -15.670 2.603 1.00 0.00 H new ATOM 727 N PHE A 50 24.564 -7.864 5.938 1.00 0.00 N ATOM 728 CA PHE A 50 24.440 -6.688 6.790 1.00 0.00 C ATOM 729 C PHE A 50 23.052 -6.066 6.660 1.00 0.00 C ATOM 730 O PHE A 50 22.328 -6.335 5.701 1.00 0.00 O ATOM 731 CB PHE A 50 25.516 -5.658 6.433 1.00 0.00 C ATOM 732 CG PHE A 50 25.152 -4.778 5.272 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.177 -5.270 3.977 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.784 -3.459 5.477 1.00 0.00 C ATOM 735 CE1 PHE A 50 24.841 -4.462 2.907 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.448 -2.645 4.413 1.00 0.00 C ATOM 737 CZ PHE A 50 24.477 -3.146 3.126 1.00 0.00 C ATOM 0 H PHE A 50 25.183 -7.741 5.137 1.00 0.00 H new ATOM 0 HA PHE A 50 24.579 -7.001 7.825 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.710 -5.032 7.304 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.444 -6.181 6.203 1.00 0.00 H new ATOM 0 HD1 PHE A 50 25.462 -6.297 3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.759 -3.062 6.481 1.00 0.00 H new ATOM 0 HE1 PHE A 50 24.863 -4.858 1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.163 -1.618 4.587 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.216 -2.511 2.292 1.00 0.00 H new ATOM 747 N THR A 51 22.688 -5.234 7.632 1.00 0.00 N ATOM 748 CA THR A 51 21.388 -4.575 7.628 1.00 0.00 C ATOM 749 C THR A 51 21.406 -3.319 8.498 1.00 0.00 C ATOM 750 O THR A 51 21.140 -3.378 9.698 1.00 0.00 O ATOM 751 CB THR A 51 20.277 -5.522 8.126 1.00 0.00 C ATOM 752 OG1 THR A 51 20.184 -6.660 7.260 1.00 0.00 O ATOM 753 CG2 THR A 51 18.934 -4.810 8.178 1.00 0.00 C ATOM 0 H THR A 51 23.276 -5.001 8.432 1.00 0.00 H new ATOM 0 HA THR A 51 21.177 -4.294 6.596 1.00 0.00 H new ATOM 0 HB THR A 51 20.534 -5.847 9.134 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.712 -6.499 6.450 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.169 -5.501 8.532 1.00 0.00 H new ATOM 0 HG22 THR A 51 18.999 -3.961 8.858 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.670 -4.457 7.181 1.00 0.00 H new ATOM 761 N LEU A 52 21.721 -2.186 7.879 1.00 0.00 N ATOM 762 CA LEU A 52 21.772 -0.912 8.588 1.00 0.00 C ATOM 763 C LEU A 52 20.376 -0.306 8.703 1.00 0.00 C ATOM 764 O LEU A 52 19.456 -0.705 7.990 1.00 0.00 O ATOM 765 CB LEU A 52 22.709 0.059 7.862 1.00 0.00 C ATOM 766 CG LEU A 52 22.891 1.420 8.537 1.00 0.00 C ATOM 767 CD1 LEU A 52 24.332 1.608 8.985 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.474 2.540 7.596 1.00 0.00 C ATOM 0 H LEU A 52 21.945 -2.124 6.886 1.00 0.00 H new ATOM 0 HA LEU A 52 22.156 -1.091 9.592 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.687 -0.412 7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.328 0.220 6.854 1.00 0.00 H new ATOM 0 HG LEU A 52 22.252 1.454 9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 52 24.440 2.582 9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 52 24.598 0.824 9.695 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.992 1.553 8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.610 3.501 8.092 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.088 2.506 6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.425 2.416 7.325 1.00 0.00 H new ATOM 780 N ALA A 53 20.224 0.657 9.606 1.00 0.00 N ATOM 781 CA ALA A 53 18.939 1.315 9.812 1.00 0.00 C ATOM 782 C ALA A 53 19.102 2.829 9.878 1.00 0.00 C ATOM 783 O ALA A 53 20.111 3.373 9.428 1.00 0.00 O ATOM 784 CB ALA A 53 18.279 0.794 11.080 1.00 0.00 C ATOM 0 H ALA A 53 20.974 0.999 10.206 1.00 0.00 H new ATOM 0 HA ALA A 53 18.298 1.084 8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.320 1.293 11.223 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.119 -0.281 10.992 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.924 0.996 11.935 1.00 0.00 H new ATOM 790 N SER A 54 18.104 3.503 10.439 1.00 0.00 N ATOM 791 CA SER A 54 18.134 4.957 10.564 1.00 0.00 C ATOM 792 C SER A 54 19.392 5.419 11.294 1.00 0.00 C ATOM 793 O SER A 54 19.813 6.568 11.158 1.00 0.00 O ATOM 794 CB SER A 54 16.890 5.451 11.305 1.00 0.00 C ATOM 795 OG SER A 54 16.344 6.598 10.678 1.00 0.00 O ATOM 0 H SER A 54 17.263 3.066 10.815 1.00 0.00 H new ATOM 0 HA SER A 54 18.145 5.381 9.560 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.142 4.659 11.335 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.147 5.685 12.338 1.00 0.00 H new ATOM 0 HG SER A 54 15.737 6.321 9.960 1.00 0.00 H new ATOM 801 N GLY A 55 19.988 4.516 12.067 1.00 0.00 N ATOM 802 CA GLY A 55 21.192 4.851 12.805 1.00 0.00 C ATOM 803 C GLY A 55 21.753 3.669 13.571 1.00 0.00 C ATOM 804 O GLY A 55 22.227 3.820 14.698 1.00 0.00 O ATOM 0 H GLY A 55 19.659 3.559 12.195 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.947 5.222 12.112 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.974 5.660 13.502 1.00 0.00 H new ATOM 808 N LYS A 56 21.698 2.492 12.960 1.00 0.00 N ATOM 809 CA LYS A 56 22.204 1.277 13.591 1.00 0.00 C ATOM 810 C LYS A 56 22.368 0.156 12.572 1.00 0.00 C ATOM 811 O LYS A 56 21.402 -0.267 11.937 1.00 0.00 O ATOM 812 CB LYS A 56 21.261 0.829 14.710 1.00 0.00 C ATOM 813 CG LYS A 56 21.973 0.156 15.872 1.00 0.00 C ATOM 814 CD LYS A 56 21.102 0.125 17.117 1.00 0.00 C ATOM 815 CE LYS A 56 21.806 -0.565 18.273 1.00 0.00 C ATOM 816 NZ LYS A 56 20.947 -0.631 19.488 1.00 0.00 N ATOM 0 H LYS A 56 21.308 2.352 12.028 1.00 0.00 H new ATOM 0 HA LYS A 56 23.183 1.501 14.014 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.715 1.696 15.082 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.524 0.140 14.298 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.246 -0.862 15.592 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.900 0.687 16.089 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.841 1.143 17.405 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.169 -0.393 16.897 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.090 -1.574 17.974 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.727 -0.031 18.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 21.464 -1.109 20.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 20.696 0.333 19.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 20.080 -1.163 19.272 1.00 0.00 H new ATOM 830 N CYS A 57 23.598 -0.326 12.427 1.00 0.00 N ATOM 831 CA CYS A 57 23.894 -1.404 11.491 1.00 0.00 C ATOM 832 C CYS A 57 23.837 -2.756 12.195 1.00 0.00 C ATOM 833 O CYS A 57 24.122 -2.855 13.388 1.00 0.00 O ATOM 834 CB CYS A 57 25.274 -1.196 10.861 1.00 0.00 C ATOM 835 SG CYS A 57 26.050 -2.718 10.228 1.00 0.00 S ATOM 0 H CYS A 57 24.407 0.014 12.947 1.00 0.00 H new ATOM 0 HA CYS A 57 23.141 -1.391 10.703 1.00 0.00 H new ATOM 0 HB2 CYS A 57 25.182 -0.482 10.043 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.935 -0.747 11.603 1.00 0.00 H new ATOM 840 N SER A 58 23.466 -3.796 11.454 1.00 0.00 N ATOM 841 CA SER A 58 23.371 -5.139 12.015 1.00 0.00 C ATOM 842 C SER A 58 23.700 -6.194 10.964 1.00 0.00 C ATOM 843 O SER A 58 22.983 -6.342 9.977 1.00 0.00 O ATOM 844 CB SER A 58 21.971 -5.385 12.576 1.00 0.00 C ATOM 845 OG SER A 58 21.646 -4.432 13.573 1.00 0.00 O ATOM 0 H SER A 58 23.226 -3.734 10.464 1.00 0.00 H new ATOM 0 HA SER A 58 24.098 -5.217 12.824 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.239 -5.336 11.770 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.916 -6.389 12.997 1.00 0.00 H new ATOM 0 HG SER A 58 20.745 -4.610 13.915 1.00 0.00 H new ATOM 851 N LEU A 59 24.787 -6.925 11.185 1.00 0.00 N ATOM 852 CA LEU A 59 25.206 -7.968 10.257 1.00 0.00 C ATOM 853 C LEU A 59 24.745 -9.339 10.738 1.00 0.00 C ATOM 854 O LEU A 59 24.809 -9.644 11.929 1.00 0.00 O ATOM 855 CB LEU A 59 26.727 -7.957 10.079 1.00 0.00 C ATOM 856 CG LEU A 59 27.511 -7.184 11.146 1.00 0.00 C ATOM 857 CD1 LEU A 59 28.912 -7.758 11.291 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.574 -5.707 10.800 1.00 0.00 C ATOM 0 H LEU A 59 25.393 -6.815 11.998 1.00 0.00 H new ATOM 0 HA LEU A 59 24.741 -7.764 9.293 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.081 -8.988 10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 59 26.958 -7.530 9.103 1.00 0.00 H new ATOM 0 HG LEU A 59 26.992 -7.289 12.099 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.457 -7.199 12.052 1.00 0.00 H new ATOM 0 HD12 LEU A 59 28.847 -8.805 11.586 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.437 -7.681 10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.135 -5.177 11.570 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.069 -5.580 9.838 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.563 -5.303 10.744 1.00 0.00 H new ATOM 870 N PHE A 60 24.272 -10.158 9.805 1.00 0.00 N ATOM 871 CA PHE A 60 23.791 -11.496 10.132 1.00 0.00 C ATOM 872 C PHE A 60 24.507 -12.552 9.294 1.00 0.00 C ATOM 873 O PHE A 60 24.522 -12.479 8.065 1.00 0.00 O ATOM 874 CB PHE A 60 22.279 -11.578 9.911 1.00 0.00 C ATOM 875 CG PHE A 60 21.528 -10.427 10.522 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.339 -9.251 9.814 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.021 -10.519 11.808 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.656 -8.190 10.377 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.339 -9.460 12.376 1.00 0.00 C ATOM 880 CZ PHE A 60 20.157 -8.293 11.659 1.00 0.00 C ATOM 0 H PHE A 60 24.211 -9.919 8.815 1.00 0.00 H new ATOM 0 HA PHE A 60 24.008 -11.693 11.182 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.076 -11.609 8.841 1.00 0.00 H new ATOM 0 HB3 PHE A 60 21.907 -12.511 10.333 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.730 -9.163 8.811 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.160 -11.429 12.373 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.513 -7.280 9.813 1.00 0.00 H new ATOM 0 HE2 PHE A 60 19.949 -9.544 13.379 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.625 -7.463 12.101 1.00 0.00 H new ATOM 890 N ALA A 61 25.107 -13.526 9.971 1.00 0.00 N ATOM 891 CA ALA A 61 25.834 -14.594 9.295 1.00 0.00 C ATOM 892 C ALA A 61 24.893 -15.504 8.509 1.00 0.00 C ATOM 893 O ALA A 61 24.606 -15.250 7.339 1.00 0.00 O ATOM 894 CB ALA A 61 26.637 -15.403 10.305 1.00 0.00 C ATOM 0 H ALA A 61 25.104 -13.597 10.988 1.00 0.00 H new ATOM 0 HA ALA A 61 26.518 -14.134 8.582 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.176 -16.198 9.789 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.349 -14.750 10.810 1.00 0.00 H new ATOM 0 HB3 ALA A 61 25.962 -15.841 11.040 1.00 0.00 H new ATOM 900 N ASP A 62 24.424 -16.569 9.155 1.00 0.00 N ATOM 901 CA ASP A 62 23.523 -17.519 8.509 1.00 0.00 C ATOM 902 C ASP A 62 22.145 -17.504 9.160 1.00 0.00 C ATOM 903 O ASP A 62 21.268 -18.287 8.792 1.00 0.00 O ATOM 904 CB ASP A 62 24.110 -18.930 8.574 1.00 0.00 C ATOM 905 CG ASP A 62 23.525 -19.849 7.521 1.00 0.00 C ATOM 906 OD1 ASP A 62 23.751 -19.597 6.319 1.00 0.00 O ATOM 907 OD2 ASP A 62 22.840 -20.824 7.898 1.00 0.00 O ATOM 0 H ASP A 62 24.653 -16.795 10.123 1.00 0.00 H new ATOM 0 HA ASP A 62 23.412 -17.220 7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.191 -18.877 8.446 1.00 0.00 H new ATOM 0 HB3 ASP A 62 23.927 -19.351 9.562 1.00 0.00 H new ATOM 912 N ASP A 63 21.958 -16.612 10.126 1.00 0.00 N ATOM 913 CA ASP A 63 20.684 -16.500 10.826 1.00 0.00 C ATOM 914 C ASP A 63 19.546 -16.234 9.845 1.00 0.00 C ATOM 915 O ASP A 63 19.695 -15.458 8.902 1.00 0.00 O ATOM 916 CB ASP A 63 20.749 -15.382 11.867 1.00 0.00 C ATOM 917 CG ASP A 63 19.605 -15.448 12.860 1.00 0.00 C ATOM 918 OD1 ASP A 63 19.377 -16.534 13.431 1.00 0.00 O ATOM 919 OD2 ASP A 63 18.937 -14.413 13.066 1.00 0.00 O ATOM 0 H ASP A 63 22.672 -15.956 10.442 1.00 0.00 H new ATOM 0 HA ASP A 63 20.489 -17.446 11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 63 21.696 -15.444 12.403 1.00 0.00 H new ATOM 0 HB3 ASP A 63 20.732 -14.417 11.361 1.00 0.00 H new ATOM 924 N ALA A 64 18.411 -16.889 10.071 1.00 0.00 N ATOM 925 CA ALA A 64 17.248 -16.726 9.206 1.00 0.00 C ATOM 926 C ALA A 64 16.017 -16.322 10.009 1.00 0.00 C ATOM 927 O ALA A 64 14.930 -16.159 9.456 1.00 0.00 O ATOM 928 CB ALA A 64 16.980 -18.011 8.437 1.00 0.00 C ATOM 0 H ALA A 64 18.272 -17.538 10.846 1.00 0.00 H new ATOM 0 HA ALA A 64 17.463 -15.927 8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.109 -17.876 7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.848 -18.256 7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.790 -18.823 9.139 1.00 0.00 H new ATOM 934 N ALA A 65 16.196 -16.161 11.317 1.00 0.00 N ATOM 935 CA ALA A 65 15.099 -15.774 12.197 1.00 0.00 C ATOM 936 C ALA A 65 14.940 -14.258 12.240 1.00 0.00 C ATOM 937 O ALA A 65 14.308 -13.716 13.147 1.00 0.00 O ATOM 938 CB ALA A 65 15.327 -16.323 13.596 1.00 0.00 C ATOM 0 H ALA A 65 17.090 -16.293 11.790 1.00 0.00 H new ATOM 0 HA ALA A 65 14.178 -16.199 11.798 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.501 -16.027 14.242 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.384 -17.411 13.555 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.260 -15.926 13.995 1.00 0.00 H new ATOM 944 N LEU A 66 15.519 -13.580 11.254 1.00 0.00 N ATOM 945 CA LEU A 66 15.443 -12.125 11.177 1.00 0.00 C ATOM 946 C LEU A 66 14.384 -11.686 10.171 1.00 0.00 C ATOM 947 O LEU A 66 14.520 -11.921 8.970 1.00 0.00 O ATOM 948 CB LEU A 66 16.804 -11.543 10.789 1.00 0.00 C ATOM 949 CG LEU A 66 17.537 -12.299 9.678 1.00 0.00 C ATOM 950 CD1 LEU A 66 17.700 -11.416 8.450 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.890 -12.787 10.171 1.00 0.00 C ATOM 0 H LEU A 66 16.046 -14.015 10.497 1.00 0.00 H new ATOM 0 HA LEU A 66 15.161 -11.749 12.160 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.664 -10.509 10.473 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.439 -11.522 11.674 1.00 0.00 H new ATOM 0 HG LEU A 66 16.940 -13.167 9.398 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.223 -11.970 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.718 -11.116 8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.276 -10.529 8.714 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.398 -13.322 9.369 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.495 -11.934 10.478 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.748 -13.455 11.020 1.00 0.00 H new ATOM 963 N ARG A 67 13.332 -11.046 10.669 1.00 0.00 N ATOM 964 CA ARG A 67 12.251 -10.571 9.814 1.00 0.00 C ATOM 965 C ARG A 67 12.258 -9.047 9.722 1.00 0.00 C ATOM 966 O ARG A 67 12.879 -8.371 10.542 1.00 0.00 O ATOM 967 CB ARG A 67 10.901 -11.051 10.347 1.00 0.00 C ATOM 968 CG ARG A 67 10.445 -12.373 9.751 1.00 0.00 C ATOM 969 CD ARG A 67 10.281 -13.440 10.820 1.00 0.00 C ATOM 970 NE ARG A 67 9.180 -13.139 11.731 1.00 0.00 N ATOM 971 CZ ARG A 67 8.896 -13.863 12.810 1.00 0.00 C ATOM 972 NH1 ARG A 67 9.630 -14.926 13.112 1.00 0.00 N ATOM 973 NH2 ARG A 67 7.878 -13.523 13.588 1.00 0.00 N ATOM 0 H ARG A 67 13.205 -10.844 11.661 1.00 0.00 H new ATOM 0 HA ARG A 67 12.407 -10.980 8.816 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.963 -11.153 11.430 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.148 -10.291 10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.498 -12.231 9.230 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.170 -12.708 9.009 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.104 -14.405 10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.207 -13.529 11.388 1.00 0.00 H new ATOM 0 HE ARG A 67 8.596 -12.328 11.528 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.415 -15.190 12.516 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.410 -15.479 13.940 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.312 -12.706 13.359 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.661 -14.079 14.415 1.00 0.00 H new ATOM 987 N PRO A 68 11.562 -8.483 8.721 1.00 0.00 N ATOM 988 CA PRO A 68 11.488 -7.031 8.529 1.00 0.00 C ATOM 989 C PRO A 68 10.659 -6.347 9.610 1.00 0.00 C ATOM 990 O PRO A 68 9.960 -7.008 10.379 1.00 0.00 O ATOM 991 CB PRO A 68 10.810 -6.890 7.165 1.00 0.00 C ATOM 992 CG PRO A 68 10.001 -8.132 7.018 1.00 0.00 C ATOM 993 CD PRO A 68 10.787 -9.216 7.702 1.00 0.00 C ATOM 0 HA PRO A 68 12.470 -6.560 8.583 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.182 -6.000 7.125 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.544 -6.798 6.365 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.018 -8.015 7.474 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.838 -8.371 5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.134 -9.962 8.154 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.438 -9.743 7.004 1.00 0.00 H new ATOM 1001 N THR A 69 10.741 -5.021 9.666 1.00 0.00 N ATOM 1002 CA THR A 69 9.996 -4.251 10.655 1.00 0.00 C ATOM 1003 C THR A 69 9.372 -3.009 10.031 1.00 0.00 C ATOM 1004 O THR A 69 8.151 -2.905 9.916 1.00 0.00 O ATOM 1005 CB THR A 69 10.891 -3.826 11.835 1.00 0.00 C ATOM 1006 OG1 THR A 69 10.394 -2.617 12.420 1.00 0.00 O ATOM 1007 CG2 THR A 69 12.330 -3.621 11.383 1.00 0.00 C ATOM 0 H THR A 69 11.315 -4.458 9.038 1.00 0.00 H new ATOM 0 HA THR A 69 9.206 -4.903 11.028 1.00 0.00 H new ATOM 0 HB THR A 69 10.871 -4.624 12.577 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.969 -2.356 13.170 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.940 -3.322 12.235 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.717 -4.552 10.969 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.365 -2.843 10.621 1.00 0.00 H new ATOM 1015 N LYS A 70 10.219 -2.069 9.631 1.00 0.00 N ATOM 1016 CA LYS A 70 9.754 -0.830 9.018 1.00 0.00 C ATOM 1017 C LYS A 70 10.791 -0.279 8.046 1.00 0.00 C ATOM 1018 O LYS A 70 11.943 -0.711 8.040 1.00 0.00 O ATOM 1019 CB LYS A 70 9.445 0.211 10.097 1.00 0.00 C ATOM 1020 CG LYS A 70 10.650 0.585 10.945 1.00 0.00 C ATOM 1021 CD LYS A 70 10.301 0.618 12.424 1.00 0.00 C ATOM 1022 CE LYS A 70 11.548 0.675 13.290 1.00 0.00 C ATOM 1023 NZ LYS A 70 11.268 1.253 14.633 1.00 0.00 N ATOM 0 H LYS A 70 11.233 -2.141 9.720 1.00 0.00 H new ATOM 0 HA LYS A 70 8.843 -1.049 8.461 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.053 1.110 9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.659 -0.174 10.747 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.453 -0.133 10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.025 1.561 10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.673 1.484 12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.718 -0.267 12.681 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.956 -0.329 13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.310 1.273 12.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.145 1.274 15.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.903 2.221 14.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.560 0.669 15.122 1.00 0.00 H new ATOM 1037 N SER A 71 10.373 0.679 7.225 1.00 0.00 N ATOM 1038 CA SER A 71 11.262 1.293 6.246 1.00 0.00 C ATOM 1039 C SER A 71 11.536 2.752 6.601 1.00 0.00 C ATOM 1040 O SER A 71 11.285 3.655 5.802 1.00 0.00 O ATOM 1041 CB SER A 71 10.653 1.201 4.846 1.00 0.00 C ATOM 1042 OG SER A 71 9.237 1.242 4.901 1.00 0.00 O ATOM 0 H SER A 71 9.422 1.047 7.219 1.00 0.00 H new ATOM 0 HA SER A 71 12.208 0.751 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.020 2.023 4.232 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.975 0.277 4.366 1.00 0.00 H new ATOM 0 HG SER A 71 8.873 1.183 3.993 1.00 0.00 H new ATOM 1048 N ASP A 72 12.052 2.976 7.805 1.00 0.00 N ATOM 1049 CA ASP A 72 12.360 4.324 8.269 1.00 0.00 C ATOM 1050 C ASP A 72 13.781 4.722 7.882 1.00 0.00 C ATOM 1051 O ASP A 72 14.539 5.235 8.705 1.00 0.00 O ATOM 1052 CB ASP A 72 12.184 4.416 9.785 1.00 0.00 C ATOM 1053 CG ASP A 72 11.311 5.586 10.196 1.00 0.00 C ATOM 1054 OD1 ASP A 72 10.070 5.436 10.177 1.00 0.00 O ATOM 1055 OD2 ASP A 72 11.866 6.651 10.536 1.00 0.00 O ATOM 0 H ASP A 72 12.266 2.240 8.478 1.00 0.00 H new ATOM 0 HA ASP A 72 11.667 5.015 7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.743 3.490 10.154 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.162 4.513 10.256 1.00 0.00 H new ATOM 1060 N GLY A 73 14.136 4.481 6.623 1.00 0.00 N ATOM 1061 CA GLY A 73 15.465 4.820 6.148 1.00 0.00 C ATOM 1062 C GLY A 73 16.483 3.741 6.457 1.00 0.00 C ATOM 1063 O GLY A 73 17.653 4.034 6.705 1.00 0.00 O ATOM 0 H GLY A 73 13.527 4.057 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.431 4.986 5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.783 5.757 6.605 1.00 0.00 H new ATOM 1067 N ALA A 74 16.037 2.489 6.441 1.00 0.00 N ATOM 1068 CA ALA A 74 16.916 1.360 6.722 1.00 0.00 C ATOM 1069 C ALA A 74 17.409 0.714 5.432 1.00 0.00 C ATOM 1070 O ALA A 74 16.697 0.685 4.428 1.00 0.00 O ATOM 1071 CB ALA A 74 16.196 0.335 7.583 1.00 0.00 C ATOM 0 H ALA A 74 15.072 2.231 6.236 1.00 0.00 H new ATOM 0 HA ALA A 74 17.784 1.733 7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.863 -0.503 7.786 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.897 0.796 8.524 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.311 -0.024 7.058 1.00 0.00 H new ATOM 1077 N VAL A 75 18.633 0.195 5.468 1.00 0.00 N ATOM 1078 CA VAL A 75 19.225 -0.453 4.303 1.00 0.00 C ATOM 1079 C VAL A 75 19.705 -1.861 4.644 1.00 0.00 C ATOM 1080 O VAL A 75 20.010 -2.159 5.797 1.00 0.00 O ATOM 1081 CB VAL A 75 20.411 0.358 3.744 1.00 0.00 C ATOM 1082 CG1 VAL A 75 20.307 0.480 2.232 1.00 0.00 C ATOM 1083 CG2 VAL A 75 20.480 1.734 4.392 1.00 0.00 C ATOM 0 H VAL A 75 19.234 0.211 6.292 1.00 0.00 H new ATOM 0 HA VAL A 75 18.445 -0.508 3.544 1.00 0.00 H new ATOM 0 HB VAL A 75 21.332 -0.174 3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.152 1.055 1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 75 20.316 -0.514 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 75 19.378 0.986 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 75 21.325 2.287 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 75 19.557 2.278 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 75 20.608 1.623 5.469 1.00 0.00 H new ATOM 1093 N SER A 76 19.770 -2.720 3.632 1.00 0.00 N ATOM 1094 CA SER A 76 20.214 -4.097 3.825 1.00 0.00 C ATOM 1095 C SER A 76 20.681 -4.707 2.507 1.00 0.00 C ATOM 1096 O SER A 76 20.178 -4.357 1.439 1.00 0.00 O ATOM 1097 CB SER A 76 19.087 -4.944 4.420 1.00 0.00 C ATOM 1098 OG SER A 76 17.881 -4.208 4.500 1.00 0.00 O ATOM 0 H SER A 76 19.521 -2.488 2.670 1.00 0.00 H new ATOM 0 HA SER A 76 21.054 -4.086 4.520 1.00 0.00 H new ATOM 0 HB2 SER A 76 18.934 -5.832 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.373 -5.288 5.414 1.00 0.00 H new ATOM 0 HG SER A 76 17.470 -4.347 5.379 1.00 0.00 H new ATOM 1104 N GLY A 77 21.645 -5.619 2.590 1.00 0.00 N ATOM 1105 CA GLY A 77 22.162 -6.261 1.395 1.00 0.00 C ATOM 1106 C GLY A 77 22.409 -7.744 1.591 1.00 0.00 C ATOM 1107 O GLY A 77 22.750 -8.184 2.689 1.00 0.00 O ATOM 0 H GLY A 77 22.077 -5.924 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.456 -6.119 0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.093 -5.777 1.101 1.00 0.00 H new ATOM 1111 N ASN A 78 22.238 -8.516 0.522 1.00 0.00 N ATOM 1112 CA ASN A 78 22.446 -9.958 0.578 1.00 0.00 C ATOM 1113 C ASN A 78 23.205 -10.446 -0.652 1.00 0.00 C ATOM 1114 O ASN A 78 23.727 -11.561 -0.669 1.00 0.00 O ATOM 1115 CB ASN A 78 21.104 -10.687 0.684 1.00 0.00 C ATOM 1116 CG ASN A 78 19.933 -9.733 0.818 1.00 0.00 C ATOM 1117 OD1 ASN A 78 19.276 -9.396 -0.166 1.00 0.00 O ATOM 1118 ND2 ASN A 78 19.666 -9.291 2.041 1.00 0.00 N ATOM 0 H ASN A 78 21.956 -8.166 -0.394 1.00 0.00 H new ATOM 0 HA ASN A 78 23.042 -10.178 1.464 1.00 0.00 H new ATOM 0 HB2 ASN A 78 20.962 -11.310 -0.199 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.124 -11.355 1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 78 18.890 -8.646 2.192 1.00 0.00 H new ATOM 0 HD22 ASN A 78 20.237 -9.596 2.829 1.00 0.00 H new ATOM 1125 N LYS A 79 23.261 -9.605 -1.681 1.00 0.00 N ATOM 1126 CA LYS A 79 23.957 -9.950 -2.915 1.00 0.00 C ATOM 1127 C LYS A 79 24.236 -8.705 -3.751 1.00 0.00 C ATOM 1128 O LYS A 79 23.389 -8.263 -4.527 1.00 0.00 O ATOM 1129 CB LYS A 79 23.133 -10.951 -3.729 1.00 0.00 C ATOM 1130 CG LYS A 79 21.638 -10.680 -3.700 1.00 0.00 C ATOM 1131 CD LYS A 79 20.885 -11.605 -4.643 1.00 0.00 C ATOM 1132 CE LYS A 79 19.825 -10.855 -5.432 1.00 0.00 C ATOM 1133 NZ LYS A 79 20.290 -10.515 -6.805 1.00 0.00 N ATOM 0 H LYS A 79 22.832 -8.679 -1.684 1.00 0.00 H new ATOM 0 HA LYS A 79 24.910 -10.407 -2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 79 23.476 -10.934 -4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 79 23.318 -11.955 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 79 21.263 -10.810 -2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 79 21.450 -9.643 -3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 79 21.588 -12.075 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 79 20.416 -12.405 -4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.922 -11.462 -5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.558 -9.940 -4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.538 -10.004 -7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 21.137 -9.914 -6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.521 -11.389 -7.320 1.00 0.00 H new ATOM 1147 N ARG A 80 25.430 -8.145 -3.586 1.00 0.00 N ATOM 1148 CA ARG A 80 25.825 -6.950 -4.325 1.00 0.00 C ATOM 1149 C ARG A 80 25.829 -7.216 -5.826 1.00 0.00 C ATOM 1150 O ARG A 80 26.436 -8.180 -6.293 1.00 0.00 O ATOM 1151 CB ARG A 80 27.209 -6.481 -3.874 1.00 0.00 C ATOM 1152 CG ARG A 80 27.171 -5.302 -2.916 1.00 0.00 C ATOM 1153 CD ARG A 80 28.537 -5.039 -2.302 1.00 0.00 C ATOM 1154 NE ARG A 80 28.953 -6.117 -1.408 1.00 0.00 N ATOM 1155 CZ ARG A 80 29.632 -5.922 -0.283 1.00 0.00 C ATOM 1156 NH1 ARG A 80 29.970 -4.694 0.087 1.00 0.00 N ATOM 1157 NH2 ARG A 80 29.972 -6.954 0.476 1.00 0.00 N ATOM 0 H ARG A 80 26.142 -8.499 -2.947 1.00 0.00 H new ATOM 0 HA ARG A 80 25.097 -6.166 -4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 80 27.726 -7.312 -3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 80 27.794 -6.206 -4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 80 26.832 -4.412 -3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 80 26.447 -5.498 -2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 80 29.275 -4.922 -3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 80 28.511 -4.100 -1.750 1.00 0.00 H new ATOM 0 HE ARG A 80 28.708 -7.074 -1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 80 29.709 -3.897 -0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 80 30.491 -4.547 0.951 1.00 0.00 H new ATOM 0 HH21 ARG A 80 29.712 -7.900 0.197 1.00 0.00 H new ATOM 0 HH22 ARG A 80 30.493 -6.802 1.339 1.00 0.00 H new ATOM 1171 N CYS A 81 25.149 -6.355 -6.577 1.00 0.00 N ATOM 1172 CA CYS A 81 25.076 -6.498 -8.027 1.00 0.00 C ATOM 1173 C CYS A 81 25.868 -5.395 -8.724 1.00 0.00 C ATOM 1174 O CYS A 81 25.382 -4.765 -9.662 1.00 0.00 O ATOM 1175 CB CYS A 81 23.618 -6.468 -8.492 1.00 0.00 C ATOM 1176 SG CYS A 81 22.409 -6.807 -7.171 1.00 0.00 S ATOM 0 H CYS A 81 24.641 -5.552 -6.206 1.00 0.00 H new ATOM 0 HA CYS A 81 25.515 -7.459 -8.294 1.00 0.00 H new ATOM 0 HB2 CYS A 81 23.405 -5.489 -8.922 1.00 0.00 H new ATOM 0 HB3 CYS A 81 23.486 -7.202 -9.287 1.00 0.00 H new ATOM 1181 N ILE A 82 27.092 -5.169 -8.257 1.00 0.00 N ATOM 1182 CA ILE A 82 27.954 -4.145 -8.835 1.00 0.00 C ATOM 1183 C ILE A 82 29.036 -4.767 -9.710 1.00 0.00 C ATOM 1184 O ILE A 82 29.589 -4.110 -10.591 1.00 0.00 O ATOM 1185 CB ILE A 82 28.623 -3.286 -7.743 1.00 0.00 C ATOM 1186 CG1 ILE A 82 28.795 -4.093 -6.453 1.00 0.00 C ATOM 1187 CG2 ILE A 82 27.805 -2.030 -7.483 1.00 0.00 C ATOM 1188 CD1 ILE A 82 29.996 -3.673 -5.635 1.00 0.00 C ATOM 0 H ILE A 82 27.509 -5.681 -7.480 1.00 0.00 H new ATOM 0 HA ILE A 82 27.317 -3.507 -9.447 1.00 0.00 H new ATOM 0 HB ILE A 82 29.611 -2.989 -8.094 1.00 0.00 H new ATOM 0 HG12 ILE A 82 27.896 -3.988 -5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 82 28.888 -5.150 -6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 82 28.290 -1.434 -6.710 1.00 0.00 H new ATOM 0 HG22 ILE A 82 27.734 -1.446 -8.400 1.00 0.00 H new ATOM 0 HG23 ILE A 82 26.805 -2.309 -7.152 1.00 0.00 H new ATOM 0 HD11 ILE A 82 30.056 -4.286 -4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 82 30.903 -3.805 -6.226 1.00 0.00 H new ATOM 0 HD13 ILE A 82 29.896 -2.625 -5.353 1.00 0.00 H new ATOM 1200 N LEU A 83 29.332 -6.039 -9.461 1.00 0.00 N ATOM 1201 CA LEU A 83 30.348 -6.752 -10.227 1.00 0.00 C ATOM 1202 C LEU A 83 29.851 -7.061 -11.634 1.00 0.00 C ATOM 1203 O LEU A 83 28.974 -7.908 -11.821 1.00 0.00 O ATOM 1204 CB LEU A 83 30.738 -8.049 -9.514 1.00 0.00 C ATOM 1205 CG LEU A 83 32.029 -7.974 -8.696 1.00 0.00 C ATOM 1206 CD1 LEU A 83 31.882 -8.752 -7.397 1.00 0.00 C ATOM 1207 CD2 LEU A 83 33.203 -8.500 -9.506 1.00 0.00 C ATOM 0 H LEU A 83 28.883 -6.597 -8.735 1.00 0.00 H new ATOM 0 HA LEU A 83 31.226 -6.110 -10.304 1.00 0.00 H new ATOM 0 HB2 LEU A 83 29.923 -8.341 -8.852 1.00 0.00 H new ATOM 0 HB3 LEU A 83 30.843 -8.838 -10.259 1.00 0.00 H new ATOM 0 HG LEU A 83 32.223 -6.930 -8.450 1.00 0.00 H new ATOM 0 HD11 LEU A 83 32.809 -8.688 -6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 83 31.066 -8.330 -6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 83 31.665 -9.796 -7.621 1.00 0.00 H new ATOM 0 HD21 LEU A 83 34.113 -8.439 -8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 83 33.019 -9.538 -9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 83 33.320 -7.900 -10.408 1.00 0.00 H new ATOM 1219 N LEU A 84 30.414 -6.370 -12.621 1.00 0.00 N ATOM 1220 CA LEU A 84 30.031 -6.567 -14.016 1.00 0.00 C ATOM 1221 C LEU A 84 28.537 -6.327 -14.211 1.00 0.00 C ATOM 1222 O LEU A 84 27.869 -5.769 -13.341 1.00 0.00 O ATOM 1223 CB LEU A 84 30.400 -7.981 -14.476 1.00 0.00 C ATOM 1224 CG LEU A 84 31.673 -8.081 -15.322 1.00 0.00 C ATOM 1225 CD1 LEU A 84 31.522 -7.289 -16.612 1.00 0.00 C ATOM 1226 CD2 LEU A 84 32.881 -7.595 -14.533 1.00 0.00 C ATOM 0 H LEU A 84 31.139 -5.667 -12.480 1.00 0.00 H new ATOM 0 HA LEU A 84 30.577 -5.843 -14.621 1.00 0.00 H new ATOM 0 HB2 LEU A 84 30.518 -8.613 -13.596 1.00 0.00 H new ATOM 0 HB3 LEU A 84 29.568 -8.387 -15.051 1.00 0.00 H new ATOM 0 HG LEU A 84 31.831 -9.128 -15.579 1.00 0.00 H new ATOM 0 HD11 LEU A 84 32.436 -7.372 -17.199 1.00 0.00 H new ATOM 0 HD12 LEU A 84 30.685 -7.685 -17.186 1.00 0.00 H new ATOM 0 HD13 LEU A 84 31.337 -6.241 -16.376 1.00 0.00 H new ATOM 0 HD21 LEU A 84 33.775 -7.674 -15.151 1.00 0.00 H new ATOM 0 HD22 LEU A 84 32.731 -6.555 -14.242 1.00 0.00 H new ATOM 0 HD23 LEU A 84 33.002 -8.207 -13.640 1.00 0.00 H new ATOM 1238 N GLU A 85 28.018 -6.753 -15.360 1.00 0.00 N ATOM 1239 CA GLU A 85 26.603 -6.585 -15.669 1.00 0.00 C ATOM 1240 C GLU A 85 25.882 -7.929 -15.671 1.00 0.00 C ATOM 1241 O GLU A 85 24.656 -7.987 -15.773 1.00 0.00 O ATOM 1242 CB GLU A 85 26.434 -5.901 -17.027 1.00 0.00 C ATOM 1243 CG GLU A 85 27.201 -6.581 -18.150 1.00 0.00 C ATOM 1244 CD GLU A 85 27.176 -5.782 -19.439 1.00 0.00 C ATOM 1245 OE1 GLU A 85 28.059 -4.917 -19.618 1.00 0.00 O ATOM 1246 OE2 GLU A 85 26.275 -6.023 -20.270 1.00 0.00 O ATOM 0 H GLU A 85 28.557 -7.217 -16.091 1.00 0.00 H new ATOM 0 HA GLU A 85 26.161 -5.957 -14.895 1.00 0.00 H new ATOM 0 HB2 GLU A 85 25.375 -5.878 -17.284 1.00 0.00 H new ATOM 0 HB3 GLU A 85 26.765 -4.866 -16.947 1.00 0.00 H new ATOM 0 HG2 GLU A 85 28.235 -6.731 -17.840 1.00 0.00 H new ATOM 0 HG3 GLU A 85 26.775 -7.568 -18.330 1.00 0.00 H new ATOM 1253 N ASP A 86 26.651 -9.008 -15.555 1.00 0.00 N ATOM 1254 CA ASP A 86 26.087 -10.352 -15.543 1.00 0.00 C ATOM 1255 C ASP A 86 25.580 -10.717 -14.151 1.00 0.00 C ATOM 1256 O ASP A 86 26.419 -10.855 -13.235 1.00 0.00 O ATOM 1257 CB ASP A 86 27.131 -11.372 -16.002 1.00 0.00 C ATOM 1258 CG ASP A 86 28.028 -10.828 -17.098 1.00 0.00 C ATOM 1259 OD1 ASP A 86 27.497 -10.413 -18.148 1.00 0.00 O ATOM 1260 OD2 ASP A 86 29.261 -10.816 -16.903 1.00 0.00 O ATOM 1261 OXT ASP A 86 24.351 -10.863 -13.989 1.00 0.00 O ATOM 0 H ASP A 86 27.667 -8.977 -15.468 1.00 0.00 H new ATOM 0 HA ASP A 86 25.244 -10.371 -16.234 1.00 0.00 H new ATOM 0 HB2 ASP A 86 27.742 -11.670 -15.150 1.00 0.00 H new ATOM 0 HB3 ASP A 86 26.626 -12.269 -16.361 1.00 0.00 H new TER 1266 ASP A 86