USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 551 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 8 THR OG1 : rot 37:sc= 0.519 USER MOD Single : A 9 SER OG : rot 180:sc= -0.104 USER MOD Single : A 11 THR OG1 : rot 180:sc=0.000671 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0351 USER MOD Single : A 15 GLN : amide:sc= -0.0323 K(o=-0.032,f=-1.8!) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 55:sc=-0.00302 USER MOD Single : A 33 THR OG1 : rot 34:sc= 0.9 USER MOD Single : A 36 HIS : no HE2:sc= -3.57! C(o=-3.6!,f=-3.2!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -1.55! C(o=-1.6!,f=-4.8!) USER MOD Single : A 45 HIS : no HE2:sc= -4.77! K(o=-4.8!,f=-3.9) USER MOD Single : A 46 GLN : amide:sc= 0.522 K(o=0.52,f=-0.086) USER MOD Single : A 50 GLN : amide:sc= -0.196 K(o=-0.2,f=-2.3!) USER MOD Single : A 51 GLN : amide:sc= -0.793 X(o=-0.79,f=-0.34) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -175:sc= 0.434 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= -0.287 USER MOD Single : A 65 LYS NZ :NH3+ -149:sc= 0.731 (180deg=0.281) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -173:sc= -3.25! (180deg=-3.47!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.131 USER MOD Single : A 78 SER OG : rot 31:sc= 0.37 USER MOD Single : A 79 SER OG : rot 23:sc= 0.407 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.886 3.794 15.200 1.00 0.00 N ATOM 2 CA GLY A 1 -34.517 3.330 15.333 1.00 0.00 C ATOM 3 C GLY A 1 -33.535 4.191 14.565 1.00 0.00 C ATOM 4 O GLY A 1 -33.189 3.884 13.425 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.518 3.172 15.743 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.960 4.766 15.564 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.162 3.778 14.198 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.241 3.322 16.387 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.449 2.302 14.977 1.00 0.00 H new ATOM 8 N SER A 2 -33.085 5.274 15.191 1.00 0.00 N ATOM 9 CA SER A 2 -32.141 6.187 14.556 1.00 0.00 C ATOM 10 C SER A 2 -30.715 5.655 14.665 1.00 0.00 C ATOM 11 O SER A 2 -29.781 6.404 14.951 1.00 0.00 O ATOM 12 CB SER A 2 -32.230 7.573 15.196 1.00 0.00 C ATOM 13 OG SER A 2 -33.417 8.241 14.804 1.00 0.00 O ATOM 0 H SER A 2 -33.359 5.541 16.137 1.00 0.00 H new ATOM 0 HA SER A 2 -32.402 6.265 13.501 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.204 7.478 16.282 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.363 8.167 14.907 1.00 0.00 H new ATOM 0 HG SER A 2 -33.451 9.124 15.228 1.00 0.00 H new ATOM 19 N SER A 3 -30.556 4.355 14.434 1.00 0.00 N ATOM 20 CA SER A 3 -29.245 3.720 14.510 1.00 0.00 C ATOM 21 C SER A 3 -29.099 2.647 13.435 1.00 0.00 C ATOM 22 O SER A 3 -29.975 1.802 13.263 1.00 0.00 O ATOM 23 CB SER A 3 -29.032 3.105 15.894 1.00 0.00 C ATOM 24 OG SER A 3 -27.786 2.435 15.968 1.00 0.00 O ATOM 0 H SER A 3 -31.318 3.722 14.193 1.00 0.00 H new ATOM 0 HA SER A 3 -28.487 4.485 14.341 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.074 3.886 16.653 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.838 2.405 16.112 1.00 0.00 H new ATOM 0 HG SER A 3 -27.673 2.052 16.863 1.00 0.00 H new ATOM 30 N GLY A 4 -27.982 2.689 12.714 1.00 0.00 N ATOM 31 CA GLY A 4 -27.740 1.716 11.665 1.00 0.00 C ATOM 32 C GLY A 4 -26.921 0.535 12.147 1.00 0.00 C ATOM 33 O GLY A 4 -26.485 0.502 13.298 1.00 0.00 O ATOM 0 H GLY A 4 -27.241 3.379 12.838 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.694 1.359 11.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.222 2.200 10.837 1.00 0.00 H new ATOM 37 N SER A 5 -26.714 -0.438 11.266 1.00 0.00 N ATOM 38 CA SER A 5 -25.947 -1.630 11.611 1.00 0.00 C ATOM 39 C SER A 5 -24.521 -1.532 11.075 1.00 0.00 C ATOM 40 O SER A 5 -24.304 -1.170 9.919 1.00 0.00 O ATOM 41 CB SER A 5 -26.628 -2.880 11.052 1.00 0.00 C ATOM 42 OG SER A 5 -25.982 -4.058 11.502 1.00 0.00 O ATOM 0 H SER A 5 -27.066 -0.425 10.309 1.00 0.00 H new ATOM 0 HA SER A 5 -25.905 -1.703 12.698 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.674 -2.896 11.358 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.615 -2.848 9.963 1.00 0.00 H new ATOM 0 HG SER A 5 -26.438 -4.843 11.132 1.00 0.00 H new ATOM 48 N SER A 6 -23.553 -1.856 11.926 1.00 0.00 N ATOM 49 CA SER A 6 -22.147 -1.801 11.541 1.00 0.00 C ATOM 50 C SER A 6 -21.258 -2.352 12.652 1.00 0.00 C ATOM 51 O SER A 6 -21.504 -2.115 13.834 1.00 0.00 O ATOM 52 CB SER A 6 -21.742 -0.363 11.214 1.00 0.00 C ATOM 53 OG SER A 6 -20.536 -0.329 10.471 1.00 0.00 O ATOM 0 H SER A 6 -23.716 -2.159 12.886 1.00 0.00 H new ATOM 0 HA SER A 6 -22.014 -2.419 10.653 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.536 0.122 10.646 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.620 0.203 12.138 1.00 0.00 H new ATOM 0 HG SER A 6 -20.300 0.601 10.273 1.00 0.00 H new ATOM 59 N GLY A 7 -20.222 -3.089 12.262 1.00 0.00 N ATOM 60 CA GLY A 7 -19.312 -3.663 13.236 1.00 0.00 C ATOM 61 C GLY A 7 -17.908 -3.830 12.688 1.00 0.00 C ATOM 62 O GLY A 7 -17.498 -3.110 11.777 1.00 0.00 O ATOM 0 H GLY A 7 -19.997 -3.299 11.289 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.281 -3.025 14.120 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.692 -4.633 13.556 1.00 0.00 H new ATOM 66 N THR A 8 -17.167 -4.783 13.245 1.00 0.00 N ATOM 67 CA THR A 8 -15.800 -5.041 12.810 1.00 0.00 C ATOM 68 C THR A 8 -15.747 -6.208 11.830 1.00 0.00 C ATOM 69 O THR A 8 -16.035 -7.348 12.192 1.00 0.00 O ATOM 70 CB THR A 8 -14.878 -5.346 14.005 1.00 0.00 C ATOM 71 OG1 THR A 8 -15.410 -6.434 14.769 1.00 0.00 O ATOM 72 CG2 THR A 8 -14.723 -4.123 14.895 1.00 0.00 C ATOM 0 H THR A 8 -17.491 -5.389 13.999 1.00 0.00 H new ATOM 0 HA THR A 8 -15.450 -4.136 12.313 1.00 0.00 H new ATOM 0 HB THR A 8 -13.897 -5.620 13.618 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.811 -7.093 14.165 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.067 -4.363 15.732 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.290 -3.306 14.318 1.00 0.00 H new ATOM 0 HG23 THR A 8 -15.700 -3.822 15.274 1.00 0.00 H new ATOM 80 N SER A 9 -15.375 -5.915 10.588 1.00 0.00 N ATOM 81 CA SER A 9 -15.287 -6.940 9.555 1.00 0.00 C ATOM 82 C SER A 9 -14.254 -6.558 8.498 1.00 0.00 C ATOM 83 O SER A 9 -13.820 -5.408 8.426 1.00 0.00 O ATOM 84 CB SER A 9 -16.652 -7.150 8.897 1.00 0.00 C ATOM 85 OG SER A 9 -17.645 -7.439 9.866 1.00 0.00 O ATOM 0 H SER A 9 -15.130 -4.976 10.273 1.00 0.00 H new ATOM 0 HA SER A 9 -14.972 -7.871 10.027 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.932 -6.256 8.340 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.591 -7.968 8.179 1.00 0.00 H new ATOM 0 HG SER A 9 -18.509 -7.568 9.421 1.00 0.00 H new ATOM 91 N ILE A 10 -13.866 -7.532 7.681 1.00 0.00 N ATOM 92 CA ILE A 10 -12.886 -7.298 6.628 1.00 0.00 C ATOM 93 C ILE A 10 -13.208 -8.121 5.385 1.00 0.00 C ATOM 94 O ILE A 10 -13.513 -9.311 5.476 1.00 0.00 O ATOM 95 CB ILE A 10 -11.460 -7.639 7.100 1.00 0.00 C ATOM 96 CG1 ILE A 10 -11.083 -6.785 8.312 1.00 0.00 C ATOM 97 CG2 ILE A 10 -10.464 -7.433 5.969 1.00 0.00 C ATOM 98 CD1 ILE A 10 -9.865 -7.292 9.053 1.00 0.00 C ATOM 0 H ILE A 10 -14.215 -8.489 7.728 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.935 -6.237 6.382 1.00 0.00 H new ATOM 0 HB ILE A 10 -11.432 -8.688 7.395 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.898 -5.763 7.983 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.928 -6.751 8.999 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.461 -7.678 6.318 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.725 -8.080 5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.491 -6.393 5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.656 -6.638 9.900 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.053 -8.303 9.413 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.007 -7.300 8.381 1.00 0.00 H new ATOM 110 N THR A 11 -13.137 -7.480 4.222 1.00 0.00 N ATOM 111 CA THR A 11 -13.420 -8.152 2.960 1.00 0.00 C ATOM 112 C THR A 11 -12.465 -9.318 2.732 1.00 0.00 C ATOM 113 O THR A 11 -11.248 -9.192 2.871 1.00 0.00 O ATOM 114 CB THR A 11 -13.318 -7.179 1.771 1.00 0.00 C ATOM 115 OG1 THR A 11 -13.996 -5.956 2.079 1.00 0.00 O ATOM 116 CG2 THR A 11 -13.917 -7.795 0.515 1.00 0.00 C ATOM 0 H THR A 11 -12.886 -6.496 4.128 1.00 0.00 H new ATOM 0 HA THR A 11 -14.441 -8.529 3.024 1.00 0.00 H new ATOM 0 HB THR A 11 -12.263 -6.973 1.588 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.925 -5.342 1.318 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.834 -7.089 -0.312 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.379 -8.710 0.267 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.968 -8.027 0.689 1.00 0.00 H new ATOM 124 N PRO A 12 -13.027 -10.482 2.372 1.00 0.00 N ATOM 125 CA PRO A 12 -12.242 -11.693 2.115 1.00 0.00 C ATOM 126 C PRO A 12 -11.412 -11.587 0.841 1.00 0.00 C ATOM 127 O PRO A 12 -11.475 -10.584 0.129 1.00 0.00 O ATOM 128 CB PRO A 12 -13.308 -12.782 1.970 1.00 0.00 C ATOM 129 CG PRO A 12 -14.533 -12.057 1.532 1.00 0.00 C ATOM 130 CD PRO A 12 -14.470 -10.705 2.187 1.00 0.00 C ATOM 0 HA PRO A 12 -11.520 -11.887 2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.010 -13.533 1.239 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.472 -13.303 2.913 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.564 -11.964 0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -15.433 -12.594 1.832 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -14.919 -9.934 1.561 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.003 -10.694 3.138 1.00 0.00 H new ATOM 138 N SER A 13 -10.634 -12.627 0.558 1.00 0.00 N ATOM 139 CA SER A 13 -9.789 -12.649 -0.630 1.00 0.00 C ATOM 140 C SER A 13 -10.562 -13.170 -1.838 1.00 0.00 C ATOM 141 O SER A 13 -10.075 -14.022 -2.580 1.00 0.00 O ATOM 142 CB SER A 13 -8.554 -13.518 -0.387 1.00 0.00 C ATOM 143 OG SER A 13 -8.915 -14.876 -0.203 1.00 0.00 O ATOM 0 H SER A 13 -10.571 -13.465 1.135 1.00 0.00 H new ATOM 0 HA SER A 13 -9.471 -11.627 -0.838 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.872 -13.431 -1.233 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.019 -13.158 0.492 1.00 0.00 H new ATOM 0 HG SER A 13 -8.108 -15.411 -0.051 1.00 0.00 H new ATOM 149 N SER A 14 -11.770 -12.650 -2.028 1.00 0.00 N ATOM 150 CA SER A 14 -12.614 -13.064 -3.143 1.00 0.00 C ATOM 151 C SER A 14 -12.245 -12.307 -4.415 1.00 0.00 C ATOM 152 O SER A 14 -12.183 -12.886 -5.498 1.00 0.00 O ATOM 153 CB SER A 14 -14.089 -12.832 -2.808 1.00 0.00 C ATOM 154 OG SER A 14 -14.379 -11.448 -2.715 1.00 0.00 O ATOM 0 H SER A 14 -12.187 -11.941 -1.424 1.00 0.00 H new ATOM 0 HA SER A 14 -12.450 -14.128 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.715 -13.287 -3.575 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.333 -13.322 -1.865 1.00 0.00 H new ATOM 0 HG SER A 14 -15.328 -11.326 -2.502 1.00 0.00 H new ATOM 160 N GLN A 15 -12.000 -11.008 -4.272 1.00 0.00 N ATOM 161 CA GLN A 15 -11.638 -10.170 -5.409 1.00 0.00 C ATOM 162 C GLN A 15 -10.557 -9.166 -5.023 1.00 0.00 C ATOM 163 O GLN A 15 -10.584 -8.600 -3.930 1.00 0.00 O ATOM 164 CB GLN A 15 -12.869 -9.434 -5.940 1.00 0.00 C ATOM 165 CG GLN A 15 -13.441 -8.421 -4.961 1.00 0.00 C ATOM 166 CD GLN A 15 -14.370 -7.425 -5.628 1.00 0.00 C ATOM 167 OE1 GLN A 15 -14.445 -7.355 -6.855 1.00 0.00 O ATOM 168 NE2 GLN A 15 -15.083 -6.649 -4.821 1.00 0.00 N ATOM 0 H GLN A 15 -12.046 -10.514 -3.381 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.244 -10.816 -6.193 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.605 -8.923 -6.866 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.640 -10.164 -6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.982 -8.947 -4.175 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.623 -7.884 -4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.989 -6.742 -3.810 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.725 -5.960 -5.212 1.00 0.00 H new ATOM 177 N ASP A 16 -9.607 -8.949 -5.926 1.00 0.00 N ATOM 178 CA ASP A 16 -8.517 -8.012 -5.680 1.00 0.00 C ATOM 179 C ASP A 16 -8.940 -6.586 -6.017 1.00 0.00 C ATOM 180 O ASP A 16 -9.232 -6.271 -7.172 1.00 0.00 O ATOM 181 CB ASP A 16 -7.287 -8.400 -6.502 1.00 0.00 C ATOM 182 CG ASP A 16 -6.480 -9.505 -5.850 1.00 0.00 C ATOM 183 OD1 ASP A 16 -7.064 -10.284 -5.068 1.00 0.00 O ATOM 184 OD2 ASP A 16 -5.263 -9.590 -6.120 1.00 0.00 O ATOM 0 H ASP A 16 -9.570 -9.409 -6.835 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.265 -8.056 -4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.603 -8.722 -7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.654 -7.524 -6.638 1.00 0.00 H new ATOM 189 N ILE A 17 -8.973 -5.728 -5.003 1.00 0.00 N ATOM 190 CA ILE A 17 -9.360 -4.336 -5.192 1.00 0.00 C ATOM 191 C ILE A 17 -8.543 -3.411 -4.296 1.00 0.00 C ATOM 192 O ILE A 17 -7.945 -3.850 -3.313 1.00 0.00 O ATOM 193 CB ILE A 17 -10.857 -4.124 -4.901 1.00 0.00 C ATOM 194 CG1 ILE A 17 -11.223 -4.718 -3.539 1.00 0.00 C ATOM 195 CG2 ILE A 17 -11.704 -4.745 -6.001 1.00 0.00 C ATOM 196 CD1 ILE A 17 -11.081 -3.739 -2.395 1.00 0.00 C ATOM 0 H ILE A 17 -8.736 -5.973 -4.042 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.163 -4.093 -6.236 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.059 -3.053 -4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.251 -5.078 -3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.589 -5.583 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.760 -4.587 -5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.459 -4.280 -6.956 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.501 -5.815 -6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.357 -4.228 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.048 -3.398 -2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.736 -2.884 -2.564 1.00 0.00 H new ATOM 208 N CYS A 18 -8.523 -2.128 -4.641 1.00 0.00 N ATOM 209 CA CYS A 18 -7.781 -1.140 -3.868 1.00 0.00 C ATOM 210 C CYS A 18 -7.881 -1.431 -2.373 1.00 0.00 C ATOM 211 O CYS A 18 -8.864 -2.008 -1.907 1.00 0.00 O ATOM 212 CB CYS A 18 -8.307 0.267 -4.160 1.00 0.00 C ATOM 213 SG CYS A 18 -7.200 1.605 -3.609 1.00 0.00 S ATOM 0 H CYS A 18 -9.013 -1.748 -5.451 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.733 -1.198 -4.163 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.473 0.366 -5.233 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.276 0.389 -3.675 1.00 0.00 H new ATOM 218 N ARG A 19 -6.858 -1.027 -1.627 1.00 0.00 N ATOM 219 CA ARG A 19 -6.830 -1.246 -0.186 1.00 0.00 C ATOM 220 C ARG A 19 -7.026 0.067 0.566 1.00 0.00 C ATOM 221 O ARG A 19 -7.242 0.073 1.779 1.00 0.00 O ATOM 222 CB ARG A 19 -5.506 -1.890 0.228 1.00 0.00 C ATOM 223 CG ARG A 19 -4.339 -0.917 0.262 1.00 0.00 C ATOM 224 CD ARG A 19 -3.187 -1.457 1.095 1.00 0.00 C ATOM 225 NE ARG A 19 -2.377 -0.386 1.669 1.00 0.00 N ATOM 226 CZ ARG A 19 -1.717 -0.498 2.816 1.00 0.00 C ATOM 227 NH1 ARG A 19 -1.770 -1.628 3.508 1.00 0.00 N ATOM 228 NH2 ARG A 19 -1.001 0.521 3.273 1.00 0.00 N ATOM 0 H ARG A 19 -6.038 -0.546 -1.997 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.649 -1.918 0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.623 -2.338 1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.273 -2.699 -0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.995 -0.724 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.671 0.037 0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.581 -2.082 1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.558 -2.094 0.473 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.315 0.496 1.161 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.319 -2.414 3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.262 -1.711 4.389 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.957 1.392 2.743 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.495 0.434 4.154 1.00 0.00 H new ATOM 242 N ILE A 20 -6.949 1.177 -0.160 1.00 0.00 N ATOM 243 CA ILE A 20 -7.118 2.495 0.439 1.00 0.00 C ATOM 244 C ILE A 20 -8.544 3.003 0.255 1.00 0.00 C ATOM 245 O ILE A 20 -9.190 3.434 1.212 1.00 0.00 O ATOM 246 CB ILE A 20 -6.139 3.518 -0.166 1.00 0.00 C ATOM 247 CG1 ILE A 20 -4.695 3.117 0.139 1.00 0.00 C ATOM 248 CG2 ILE A 20 -6.431 4.912 0.370 1.00 0.00 C ATOM 249 CD1 ILE A 20 -3.699 3.620 -0.882 1.00 0.00 C ATOM 0 H ILE A 20 -6.771 1.190 -1.164 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.907 2.388 1.503 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.272 3.530 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.420 3.500 1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.632 2.030 0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.731 5.624 -0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.450 5.197 0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.322 4.915 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.696 3.298 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.948 3.216 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.734 4.709 -0.918 1.00 0.00 H new ATOM 261 N CYS A 21 -9.032 2.948 -0.979 1.00 0.00 N ATOM 262 CA CYS A 21 -10.383 3.400 -1.290 1.00 0.00 C ATOM 263 C CYS A 21 -11.347 2.221 -1.370 1.00 0.00 C ATOM 264 O CYS A 21 -12.554 2.377 -1.183 1.00 0.00 O ATOM 265 CB CYS A 21 -10.393 4.172 -2.611 1.00 0.00 C ATOM 266 SG CYS A 21 -10.254 3.117 -4.090 1.00 0.00 S ATOM 0 H CYS A 21 -8.511 2.594 -1.782 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.712 4.061 -0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.315 4.749 -2.675 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.569 4.886 -2.608 1.00 0.00 H new ATOM 271 N HIS A 22 -10.806 1.039 -1.648 1.00 0.00 N ATOM 272 CA HIS A 22 -11.618 -0.169 -1.752 1.00 0.00 C ATOM 273 C HIS A 22 -12.587 -0.072 -2.926 1.00 0.00 C ATOM 274 O HIS A 22 -13.797 -0.230 -2.759 1.00 0.00 O ATOM 275 CB HIS A 22 -12.392 -0.401 -0.454 1.00 0.00 C ATOM 276 CG HIS A 22 -11.513 -0.547 0.750 1.00 0.00 C ATOM 277 ND1 HIS A 22 -11.687 0.190 1.902 1.00 0.00 N ATOM 278 CD2 HIS A 22 -10.448 -1.352 0.977 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.766 -0.155 2.785 1.00 0.00 C ATOM 280 NE2 HIS A 22 -10.003 -1.089 2.248 1.00 0.00 N ATOM 0 H HIS A 22 -9.809 0.892 -1.805 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.950 -1.013 -1.924 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -13.076 0.432 -0.295 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -13.002 -1.298 -0.560 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.027 -2.068 0.286 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.656 0.257 3.777 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.211 -1.542 2.704 1.00 0.00 H new ATOM 288 N CYS A 23 -12.048 0.188 -4.112 1.00 0.00 N ATOM 289 CA CYS A 23 -12.866 0.307 -5.314 1.00 0.00 C ATOM 290 C CYS A 23 -12.283 -0.524 -6.453 1.00 0.00 C ATOM 291 O CYS A 23 -11.128 -0.944 -6.399 1.00 0.00 O ATOM 292 CB CYS A 23 -12.974 1.772 -5.739 1.00 0.00 C ATOM 293 SG CYS A 23 -13.929 2.803 -4.602 1.00 0.00 S ATOM 0 H CYS A 23 -11.049 0.320 -4.267 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.862 -0.072 -5.085 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.970 2.187 -5.832 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.432 1.820 -6.727 1.00 0.00 H new ATOM 0 HG CYS A 23 -13.961 4.024 -5.046 1.00 0.00 H new ATOM 299 N GLU A 24 -13.092 -0.759 -7.481 1.00 0.00 N ATOM 300 CA GLU A 24 -12.657 -1.542 -8.631 1.00 0.00 C ATOM 301 C GLU A 24 -11.514 -0.845 -9.363 1.00 0.00 C ATOM 302 O GLU A 24 -11.479 0.381 -9.456 1.00 0.00 O ATOM 303 CB GLU A 24 -13.826 -1.774 -9.590 1.00 0.00 C ATOM 304 CG GLU A 24 -14.608 -3.044 -9.301 1.00 0.00 C ATOM 305 CD GLU A 24 -15.807 -3.212 -10.215 1.00 0.00 C ATOM 306 OE1 GLU A 24 -15.692 -2.873 -11.411 1.00 0.00 O ATOM 307 OE2 GLU A 24 -16.859 -3.682 -9.734 1.00 0.00 O ATOM 0 H GLU A 24 -14.052 -0.418 -7.541 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.299 -2.505 -8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.503 -0.921 -9.538 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.445 -1.816 -10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.949 -3.905 -9.411 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.945 -3.031 -8.265 1.00 0.00 H new ATOM 314 N GLY A 25 -10.581 -1.637 -9.882 1.00 0.00 N ATOM 315 CA GLY A 25 -9.449 -1.079 -10.599 1.00 0.00 C ATOM 316 C GLY A 25 -9.849 -0.462 -11.924 1.00 0.00 C ATOM 317 O GLY A 25 -10.448 -1.127 -12.770 1.00 0.00 O ATOM 0 H GLY A 25 -10.589 -2.655 -9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.968 -0.322 -9.980 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.712 -1.863 -10.774 1.00 0.00 H new ATOM 321 N ASP A 26 -9.520 0.812 -12.105 1.00 0.00 N ATOM 322 CA ASP A 26 -9.849 1.519 -13.337 1.00 0.00 C ATOM 323 C ASP A 26 -8.672 1.498 -14.308 1.00 0.00 C ATOM 324 O ASP A 26 -7.541 1.204 -13.920 1.00 0.00 O ATOM 325 CB ASP A 26 -10.247 2.964 -13.030 1.00 0.00 C ATOM 326 CG ASP A 26 -11.449 3.051 -12.110 1.00 0.00 C ATOM 327 OD1 ASP A 26 -11.419 2.418 -11.035 1.00 0.00 O ATOM 328 OD2 ASP A 26 -12.419 3.751 -12.467 1.00 0.00 O ATOM 0 H ASP A 26 -9.026 1.376 -11.414 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.691 1.009 -13.805 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.404 3.480 -12.571 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.469 3.483 -13.963 1.00 0.00 H new ATOM 333 N ASP A 27 -8.947 1.809 -15.569 1.00 0.00 N ATOM 334 CA ASP A 27 -7.911 1.825 -16.596 1.00 0.00 C ATOM 335 C ASP A 27 -6.778 2.770 -16.209 1.00 0.00 C ATOM 336 O ASP A 27 -5.607 2.483 -16.455 1.00 0.00 O ATOM 337 CB ASP A 27 -8.504 2.243 -17.942 1.00 0.00 C ATOM 338 CG ASP A 27 -8.666 3.746 -18.061 1.00 0.00 C ATOM 339 OD1 ASP A 27 -9.555 4.303 -17.382 1.00 0.00 O ATOM 340 OD2 ASP A 27 -7.905 4.365 -18.833 1.00 0.00 O ATOM 0 H ASP A 27 -9.878 2.054 -15.906 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.505 0.817 -16.684 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.861 1.885 -18.746 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.474 1.764 -18.073 1.00 0.00 H new ATOM 345 N GLU A 28 -7.135 3.898 -15.604 1.00 0.00 N ATOM 346 CA GLU A 28 -6.148 4.886 -15.186 1.00 0.00 C ATOM 347 C GLU A 28 -5.668 4.608 -13.764 1.00 0.00 C ATOM 348 O GLU A 28 -4.519 4.883 -13.420 1.00 0.00 O ATOM 349 CB GLU A 28 -6.736 6.296 -15.271 1.00 0.00 C ATOM 350 CG GLU A 28 -7.077 6.729 -16.687 1.00 0.00 C ATOM 351 CD GLU A 28 -8.139 7.810 -16.726 1.00 0.00 C ATOM 352 OE1 GLU A 28 -9.335 7.471 -16.611 1.00 0.00 O ATOM 353 OE2 GLU A 28 -7.775 8.996 -16.873 1.00 0.00 O ATOM 0 H GLU A 28 -8.100 4.150 -15.392 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.294 4.816 -15.860 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.637 6.342 -14.659 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.025 7.004 -14.845 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.175 7.093 -17.179 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.423 5.865 -17.254 1.00 0.00 H new ATOM 360 N SER A 29 -6.559 4.062 -12.942 1.00 0.00 N ATOM 361 CA SER A 29 -6.229 3.750 -11.556 1.00 0.00 C ATOM 362 C SER A 29 -6.333 2.250 -11.297 1.00 0.00 C ATOM 363 O SER A 29 -6.973 1.802 -10.345 1.00 0.00 O ATOM 364 CB SER A 29 -7.158 4.509 -10.606 1.00 0.00 C ATOM 365 OG SER A 29 -8.445 3.917 -10.569 1.00 0.00 O ATOM 0 H SER A 29 -7.514 3.827 -13.212 1.00 0.00 H new ATOM 0 HA SER A 29 -5.201 4.062 -11.374 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.730 4.518 -9.604 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.241 5.548 -10.926 1.00 0.00 H new ATOM 0 HG SER A 29 -8.362 2.969 -10.334 1.00 0.00 H new ATOM 371 N PRO A 30 -5.690 1.455 -12.164 1.00 0.00 N ATOM 372 CA PRO A 30 -5.694 -0.007 -12.051 1.00 0.00 C ATOM 373 C PRO A 30 -4.889 -0.498 -10.853 1.00 0.00 C ATOM 374 O PRO A 30 -3.913 0.135 -10.446 1.00 0.00 O ATOM 375 CB PRO A 30 -5.042 -0.466 -13.358 1.00 0.00 C ATOM 376 CG PRO A 30 -4.190 0.681 -13.779 1.00 0.00 C ATOM 377 CD PRO A 30 -4.909 1.921 -13.322 1.00 0.00 C ATOM 0 HA PRO A 30 -6.699 -0.401 -11.899 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.447 -1.367 -13.209 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.792 -0.701 -14.114 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.199 0.617 -13.330 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.050 0.687 -14.860 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.211 2.711 -13.044 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.552 2.324 -14.104 1.00 0.00 H new ATOM 385 N LEU A 31 -5.303 -1.628 -10.291 1.00 0.00 N ATOM 386 CA LEU A 31 -4.619 -2.205 -9.139 1.00 0.00 C ATOM 387 C LEU A 31 -3.204 -2.640 -9.507 1.00 0.00 C ATOM 388 O LEU A 31 -3.010 -3.667 -10.159 1.00 0.00 O ATOM 389 CB LEU A 31 -5.407 -3.399 -8.598 1.00 0.00 C ATOM 390 CG LEU A 31 -6.910 -3.183 -8.415 1.00 0.00 C ATOM 391 CD1 LEU A 31 -7.619 -4.513 -8.210 1.00 0.00 C ATOM 392 CD2 LEU A 31 -7.177 -2.249 -7.244 1.00 0.00 C ATOM 0 H LEU A 31 -6.109 -2.163 -10.614 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.554 -1.440 -8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.261 -4.242 -9.274 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.981 -3.684 -7.636 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.303 -2.720 -9.320 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.687 -4.340 -8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.457 -5.150 -9.080 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.222 -5.004 -7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.252 -2.107 -7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.769 -2.684 -6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.702 -1.286 -7.431 1.00 0.00 H new ATOM 404 N ILE A 32 -2.220 -1.855 -9.083 1.00 0.00 N ATOM 405 CA ILE A 32 -0.823 -2.161 -9.365 1.00 0.00 C ATOM 406 C ILE A 32 -0.039 -2.390 -8.077 1.00 0.00 C ATOM 407 O ILE A 32 -0.361 -1.824 -7.032 1.00 0.00 O ATOM 408 CB ILE A 32 -0.150 -1.033 -10.169 1.00 0.00 C ATOM 409 CG1 ILE A 32 -0.418 0.322 -9.510 1.00 0.00 C ATOM 410 CG2 ILE A 32 -0.649 -1.036 -11.606 1.00 0.00 C ATOM 411 CD1 ILE A 32 0.622 1.370 -9.838 1.00 0.00 C ATOM 0 H ILE A 32 -2.364 -1.002 -8.543 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.815 -3.074 -9.960 1.00 0.00 H new ATOM 0 HB ILE A 32 0.926 -1.206 -10.178 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.397 0.683 -9.825 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.460 0.189 -8.429 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.164 -0.233 -12.161 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.413 -1.993 -12.071 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.728 -0.884 -11.617 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.368 2.304 -9.337 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.600 1.031 -9.498 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.648 1.532 -10.916 1.00 0.00 H new ATOM 423 N THR A 33 0.994 -3.222 -8.160 1.00 0.00 N ATOM 424 CA THR A 33 1.825 -3.526 -7.002 1.00 0.00 C ATOM 425 C THR A 33 2.889 -2.454 -6.792 1.00 0.00 C ATOM 426 O THR A 33 3.809 -2.293 -7.595 1.00 0.00 O ATOM 427 CB THR A 33 2.515 -4.895 -7.148 1.00 0.00 C ATOM 428 OG1 THR A 33 3.399 -4.881 -8.275 1.00 0.00 O ATOM 429 CG2 THR A 33 1.486 -6.003 -7.319 1.00 0.00 C ATOM 0 H THR A 33 1.275 -3.698 -9.017 1.00 0.00 H new ATOM 0 HA THR A 33 1.162 -3.552 -6.137 1.00 0.00 H new ATOM 0 HB THR A 33 3.087 -5.088 -6.240 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.794 -3.989 -8.370 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.996 -6.961 -7.420 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.832 -6.030 -6.447 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.891 -5.812 -8.212 1.00 0.00 H new ATOM 437 N PRO A 34 2.764 -1.703 -5.688 1.00 0.00 N ATOM 438 CA PRO A 34 3.707 -0.634 -5.347 1.00 0.00 C ATOM 439 C PRO A 34 5.075 -1.174 -4.943 1.00 0.00 C ATOM 440 O PRO A 34 6.056 -0.432 -4.891 1.00 0.00 O ATOM 441 CB PRO A 34 3.037 0.065 -4.162 1.00 0.00 C ATOM 442 CG PRO A 34 2.166 -0.977 -3.550 1.00 0.00 C ATOM 443 CD PRO A 34 1.693 -1.840 -4.687 1.00 0.00 C ATOM 0 HA PRO A 34 3.901 0.024 -6.194 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.776 0.432 -3.449 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.454 0.926 -4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.717 -1.565 -2.817 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.324 -0.524 -3.027 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.563 -2.877 -4.377 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.733 -1.501 -5.077 1.00 0.00 H new ATOM 451 N CYS A 35 5.133 -2.471 -4.659 1.00 0.00 N ATOM 452 CA CYS A 35 6.380 -3.112 -4.260 1.00 0.00 C ATOM 453 C CYS A 35 6.315 -4.619 -4.488 1.00 0.00 C ATOM 454 O CYS A 35 5.336 -5.134 -5.029 1.00 0.00 O ATOM 455 CB CYS A 35 6.679 -2.820 -2.788 1.00 0.00 C ATOM 456 SG CYS A 35 5.448 -3.502 -1.630 1.00 0.00 S ATOM 0 H CYS A 35 4.330 -3.099 -4.698 1.00 0.00 H new ATOM 0 HA CYS A 35 7.182 -2.704 -4.875 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.660 -3.226 -2.540 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.736 -1.741 -2.647 1.00 0.00 H new ATOM 461 N HIS A 36 7.364 -5.321 -4.073 1.00 0.00 N ATOM 462 CA HIS A 36 7.426 -6.770 -4.231 1.00 0.00 C ATOM 463 C HIS A 36 6.275 -7.447 -3.493 1.00 0.00 C ATOM 464 O HIS A 36 5.614 -8.334 -4.034 1.00 0.00 O ATOM 465 CB HIS A 36 8.763 -7.304 -3.714 1.00 0.00 C ATOM 466 CG HIS A 36 8.753 -7.629 -2.252 1.00 0.00 C ATOM 467 ND1 HIS A 36 8.772 -8.920 -1.768 1.00 0.00 N ATOM 468 CD2 HIS A 36 8.727 -6.822 -1.166 1.00 0.00 C ATOM 469 CE1 HIS A 36 8.757 -8.893 -0.448 1.00 0.00 C ATOM 470 NE2 HIS A 36 8.730 -7.632 -0.057 1.00 0.00 N ATOM 0 H HIS A 36 8.183 -4.910 -3.625 1.00 0.00 H new ATOM 0 HA HIS A 36 7.338 -6.999 -5.293 1.00 0.00 H new ATOM 0 HB2 HIS A 36 9.028 -8.200 -4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.540 -6.564 -3.908 1.00 0.00 H new ATOM 0 HD1 HIS A 36 8.794 -9.764 -2.340 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.708 -5.742 -1.171 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.765 -9.756 0.202 1.00 0.00 H new ATOM 478 N CYS A 37 6.041 -7.023 -2.256 1.00 0.00 N ATOM 479 CA CYS A 37 4.971 -7.588 -1.443 1.00 0.00 C ATOM 480 C CYS A 37 3.769 -7.958 -2.307 1.00 0.00 C ATOM 481 O CYS A 37 3.259 -7.134 -3.067 1.00 0.00 O ATOM 482 CB CYS A 37 4.548 -6.596 -0.358 1.00 0.00 C ATOM 483 SG CYS A 37 5.852 -6.223 0.858 1.00 0.00 S ATOM 0 H CYS A 37 6.579 -6.289 -1.794 1.00 0.00 H new ATOM 0 HA CYS A 37 5.348 -8.494 -0.969 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.233 -5.667 -0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.680 -6.996 0.167 1.00 0.00 H new ATOM 488 N THR A 38 3.319 -9.203 -2.185 1.00 0.00 N ATOM 489 CA THR A 38 2.178 -9.682 -2.954 1.00 0.00 C ATOM 490 C THR A 38 1.267 -10.556 -2.100 1.00 0.00 C ATOM 491 O THR A 38 1.596 -10.885 -0.961 1.00 0.00 O ATOM 492 CB THR A 38 2.630 -10.485 -4.189 1.00 0.00 C ATOM 493 OG1 THR A 38 1.504 -10.775 -5.024 1.00 0.00 O ATOM 494 CG2 THR A 38 3.306 -11.783 -3.773 1.00 0.00 C ATOM 0 H THR A 38 3.728 -9.898 -1.560 1.00 0.00 H new ATOM 0 HA THR A 38 1.627 -8.801 -3.284 1.00 0.00 H new ATOM 0 HB THR A 38 3.348 -9.881 -4.744 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.800 -11.284 -5.807 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.616 -12.333 -4.662 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.180 -11.558 -3.162 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.607 -12.389 -3.197 1.00 0.00 H new ATOM 502 N GLY A 39 0.120 -10.930 -2.658 1.00 0.00 N ATOM 503 CA GLY A 39 -0.821 -11.763 -1.932 1.00 0.00 C ATOM 504 C GLY A 39 -1.928 -10.957 -1.282 1.00 0.00 C ATOM 505 O GLY A 39 -3.023 -10.837 -1.831 1.00 0.00 O ATOM 0 H GLY A 39 -0.175 -10.671 -3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.259 -12.491 -2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.287 -12.325 -1.166 1.00 0.00 H new ATOM 509 N SER A 40 -1.643 -10.405 -0.107 1.00 0.00 N ATOM 510 CA SER A 40 -2.625 -9.610 0.622 1.00 0.00 C ATOM 511 C SER A 40 -3.144 -8.464 -0.240 1.00 0.00 C ATOM 512 O SER A 40 -2.824 -8.368 -1.426 1.00 0.00 O ATOM 513 CB SER A 40 -2.010 -9.057 1.909 1.00 0.00 C ATOM 514 OG SER A 40 -1.762 -10.095 2.843 1.00 0.00 O ATOM 0 H SER A 40 -0.741 -10.493 0.360 1.00 0.00 H new ATOM 0 HA SER A 40 -3.463 -10.258 0.877 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.078 -8.541 1.678 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.682 -8.320 2.349 1.00 0.00 H new ATOM 0 HG SER A 40 -1.367 -9.716 3.656 1.00 0.00 H new ATOM 520 N LEU A 41 -3.948 -7.595 0.364 1.00 0.00 N ATOM 521 CA LEU A 41 -4.513 -6.454 -0.347 1.00 0.00 C ATOM 522 C LEU A 41 -3.463 -5.367 -0.555 1.00 0.00 C ATOM 523 O LEU A 41 -3.707 -4.192 -0.277 1.00 0.00 O ATOM 524 CB LEU A 41 -5.705 -5.886 0.425 1.00 0.00 C ATOM 525 CG LEU A 41 -6.723 -6.907 0.934 1.00 0.00 C ATOM 526 CD1 LEU A 41 -6.922 -8.017 -0.086 1.00 0.00 C ATOM 527 CD2 LEU A 41 -6.279 -7.483 2.271 1.00 0.00 C ATOM 0 H LEU A 41 -4.223 -7.659 1.344 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.851 -6.798 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.325 -5.325 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.224 -5.175 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.676 -6.399 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.650 -8.734 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.286 -7.591 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.973 -8.523 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.016 -8.208 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.314 -7.975 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.189 -6.679 3.002 1.00 0.00 H new ATOM 539 N HIS A 42 -2.295 -5.767 -1.048 1.00 0.00 N ATOM 540 CA HIS A 42 -1.208 -4.826 -1.296 1.00 0.00 C ATOM 541 C HIS A 42 -1.323 -4.218 -2.690 1.00 0.00 C ATOM 542 O HIS A 42 -0.329 -3.790 -3.276 1.00 0.00 O ATOM 543 CB HIS A 42 0.144 -5.524 -1.142 1.00 0.00 C ATOM 544 CG HIS A 42 1.228 -4.624 -0.635 1.00 0.00 C ATOM 545 ND1 HIS A 42 1.560 -4.523 0.700 1.00 0.00 N ATOM 546 CD2 HIS A 42 2.060 -3.783 -1.292 1.00 0.00 C ATOM 547 CE1 HIS A 42 2.547 -3.657 0.842 1.00 0.00 C ATOM 548 NE2 HIS A 42 2.869 -3.193 -0.352 1.00 0.00 N ATOM 0 H HIS A 42 -2.077 -6.735 -1.283 1.00 0.00 H new ATOM 0 HA HIS A 42 -1.281 -4.024 -0.562 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.033 -6.366 -0.459 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.444 -5.933 -2.107 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.083 -3.608 -2.358 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.012 -3.376 1.776 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.600 -2.508 -0.545 1.00 0.00 H new ATOM 556 N PHE A 43 -2.543 -4.183 -3.216 1.00 0.00 N ATOM 557 CA PHE A 43 -2.789 -3.629 -4.542 1.00 0.00 C ATOM 558 C PHE A 43 -3.550 -2.310 -4.449 1.00 0.00 C ATOM 559 O PHE A 43 -4.778 -2.294 -4.357 1.00 0.00 O ATOM 560 CB PHE A 43 -3.575 -4.625 -5.397 1.00 0.00 C ATOM 561 CG PHE A 43 -3.339 -6.059 -5.016 1.00 0.00 C ATOM 562 CD1 PHE A 43 -2.106 -6.653 -5.232 1.00 0.00 C ATOM 563 CD2 PHE A 43 -4.350 -6.812 -4.442 1.00 0.00 C ATOM 564 CE1 PHE A 43 -1.887 -7.972 -4.883 1.00 0.00 C ATOM 565 CE2 PHE A 43 -4.137 -8.132 -4.091 1.00 0.00 C ATOM 566 CZ PHE A 43 -2.903 -8.712 -4.311 1.00 0.00 C ATOM 0 H PHE A 43 -3.377 -4.532 -2.744 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.824 -3.439 -5.013 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.639 -4.405 -5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.304 -4.486 -6.444 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.307 -6.079 -5.678 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.316 -6.362 -4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.922 -8.424 -5.057 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.934 -8.709 -3.646 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.733 -9.743 -4.036 1.00 0.00 H new ATOM 576 N VAL A 44 -2.812 -1.205 -4.471 1.00 0.00 N ATOM 577 CA VAL A 44 -3.417 0.120 -4.389 1.00 0.00 C ATOM 578 C VAL A 44 -3.456 0.791 -5.757 1.00 0.00 C ATOM 579 O VAL A 44 -2.728 0.405 -6.672 1.00 0.00 O ATOM 580 CB VAL A 44 -2.651 1.026 -3.407 1.00 0.00 C ATOM 581 CG1 VAL A 44 -2.170 0.225 -2.206 1.00 0.00 C ATOM 582 CG2 VAL A 44 -1.485 1.705 -4.107 1.00 0.00 C ATOM 0 H VAL A 44 -1.795 -1.200 -4.545 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.435 -0.018 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.330 1.800 -3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.631 0.882 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.027 -0.209 -1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.507 -0.572 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.955 2.341 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.803 0.948 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.859 2.313 -4.931 1.00 0.00 H new ATOM 592 N HIS A 45 -4.311 1.800 -5.891 1.00 0.00 N ATOM 593 CA HIS A 45 -4.445 2.528 -7.148 1.00 0.00 C ATOM 594 C HIS A 45 -3.262 3.467 -7.361 1.00 0.00 C ATOM 595 O HIS A 45 -2.808 4.128 -6.428 1.00 0.00 O ATOM 596 CB HIS A 45 -5.752 3.322 -7.165 1.00 0.00 C ATOM 597 CG HIS A 45 -6.966 2.473 -7.387 1.00 0.00 C ATOM 598 ND1 HIS A 45 -8.245 2.902 -7.104 1.00 0.00 N ATOM 599 CD2 HIS A 45 -7.090 1.215 -7.870 1.00 0.00 C ATOM 600 CE1 HIS A 45 -9.104 1.943 -7.401 1.00 0.00 C ATOM 601 NE2 HIS A 45 -8.429 0.909 -7.868 1.00 0.00 N ATOM 0 H HIS A 45 -4.922 2.132 -5.144 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.460 1.801 -7.960 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.858 3.852 -6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.699 4.077 -7.949 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -8.490 3.817 -6.725 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.286 0.572 -8.196 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.176 1.996 -7.282 1.00 0.00 H new ATOM 609 N GLN A 46 -2.769 3.519 -8.594 1.00 0.00 N ATOM 610 CA GLN A 46 -1.637 4.376 -8.928 1.00 0.00 C ATOM 611 C GLN A 46 -1.788 5.751 -8.285 1.00 0.00 C ATOM 612 O GLN A 46 -0.841 6.284 -7.708 1.00 0.00 O ATOM 613 CB GLN A 46 -1.511 4.521 -10.445 1.00 0.00 C ATOM 614 CG GLN A 46 -0.450 5.522 -10.874 1.00 0.00 C ATOM 615 CD GLN A 46 0.959 4.992 -10.697 1.00 0.00 C ATOM 616 OE1 GLN A 46 1.370 4.052 -11.378 1.00 0.00 O ATOM 617 NE2 GLN A 46 1.708 5.593 -9.780 1.00 0.00 N ATOM 0 H GLN A 46 -3.135 2.978 -9.378 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.732 3.910 -8.538 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.276 3.548 -10.876 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.474 4.827 -10.854 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.606 5.785 -11.920 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.565 6.438 -10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.327 6.369 -9.238 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.665 5.279 -9.617 1.00 0.00 H new ATOM 626 N ALA A 47 -2.985 6.320 -8.389 1.00 0.00 N ATOM 627 CA ALA A 47 -3.259 7.632 -7.816 1.00 0.00 C ATOM 628 C ALA A 47 -3.345 7.560 -6.295 1.00 0.00 C ATOM 629 O ALA A 47 -2.560 8.192 -5.588 1.00 0.00 O ATOM 630 CB ALA A 47 -4.547 8.200 -8.393 1.00 0.00 C ATOM 0 H ALA A 47 -3.780 5.893 -8.865 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.433 8.295 -8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.740 9.180 -7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.450 8.297 -9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.376 7.530 -8.162 1.00 0.00 H new ATOM 636 N CYS A 48 -4.304 6.786 -5.797 1.00 0.00 N ATOM 637 CA CYS A 48 -4.494 6.632 -4.360 1.00 0.00 C ATOM 638 C CYS A 48 -3.151 6.562 -3.638 1.00 0.00 C ATOM 639 O CYS A 48 -2.931 7.256 -2.645 1.00 0.00 O ATOM 640 CB CYS A 48 -5.310 5.372 -4.064 1.00 0.00 C ATOM 641 SG CYS A 48 -7.069 5.502 -4.521 1.00 0.00 S ATOM 0 H CYS A 48 -4.962 6.256 -6.368 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.038 7.503 -3.996 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.868 4.531 -4.599 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.238 5.147 -3.000 1.00 0.00 H new ATOM 646 N LEU A 49 -2.257 5.721 -4.145 1.00 0.00 N ATOM 647 CA LEU A 49 -0.934 5.560 -3.550 1.00 0.00 C ATOM 648 C LEU A 49 -0.407 6.893 -3.028 1.00 0.00 C ATOM 649 O LEU A 49 0.149 6.964 -1.932 1.00 0.00 O ATOM 650 CB LEU A 49 0.041 4.979 -4.575 1.00 0.00 C ATOM 651 CG LEU A 49 1.502 4.888 -4.135 1.00 0.00 C ATOM 652 CD1 LEU A 49 1.648 3.929 -2.963 1.00 0.00 C ATOM 653 CD2 LEU A 49 2.383 4.451 -5.296 1.00 0.00 C ATOM 0 H LEU A 49 -2.423 5.140 -4.967 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.021 4.870 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.299 3.979 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.008 5.587 -5.479 1.00 0.00 H new ATOM 0 HG LEU A 49 1.826 5.877 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.695 3.877 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.048 4.284 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.306 2.937 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.420 4.392 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.059 3.472 -5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.302 5.175 -6.107 1.00 0.00 H new ATOM 665 N GLN A 50 -0.586 7.945 -3.819 1.00 0.00 N ATOM 666 CA GLN A 50 -0.129 9.276 -3.435 1.00 0.00 C ATOM 667 C GLN A 50 -0.767 9.712 -2.120 1.00 0.00 C ATOM 668 O GLN A 50 -0.094 9.806 -1.094 1.00 0.00 O ATOM 669 CB GLN A 50 -0.455 10.287 -4.535 1.00 0.00 C ATOM 670 CG GLN A 50 0.038 9.870 -5.911 1.00 0.00 C ATOM 671 CD GLN A 50 -0.834 10.405 -7.030 1.00 0.00 C ATOM 672 OE1 GLN A 50 -1.850 11.055 -6.784 1.00 0.00 O ATOM 673 NE2 GLN A 50 -0.439 10.134 -8.269 1.00 0.00 N ATOM 0 H GLN A 50 -1.044 7.902 -4.729 1.00 0.00 H new ATOM 0 HA GLN A 50 0.952 9.236 -3.297 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.534 10.433 -4.574 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.012 11.249 -4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.059 10.225 -6.050 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.068 8.782 -5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.410 9.591 -8.426 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.985 10.468 -9.063 1.00 0.00 H new ATOM 682 N GLN A 51 -2.069 9.978 -2.160 1.00 0.00 N ATOM 683 CA GLN A 51 -2.797 10.406 -0.971 1.00 0.00 C ATOM 684 C GLN A 51 -2.238 9.737 0.280 1.00 0.00 C ATOM 685 O GLN A 51 -2.024 10.390 1.301 1.00 0.00 O ATOM 686 CB GLN A 51 -4.285 10.083 -1.115 1.00 0.00 C ATOM 687 CG GLN A 51 -5.179 10.916 -0.210 1.00 0.00 C ATOM 688 CD GLN A 51 -5.363 10.295 1.160 1.00 0.00 C ATOM 689 OE1 GLN A 51 -4.503 10.421 2.032 1.00 0.00 O ATOM 690 NE2 GLN A 51 -6.488 9.618 1.357 1.00 0.00 N ATOM 0 H GLN A 51 -2.641 9.905 -3.002 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.675 11.484 -0.869 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.584 10.240 -2.151 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.442 9.027 -0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.750 11.912 -0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.153 11.040 -0.682 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.174 9.539 0.606 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.667 9.177 2.259 1.00 0.00 H new ATOM 699 N TRP A 52 -2.005 8.433 0.193 1.00 0.00 N ATOM 700 CA TRP A 52 -1.471 7.675 1.319 1.00 0.00 C ATOM 701 C TRP A 52 -0.065 8.144 1.673 1.00 0.00 C ATOM 702 O TRP A 52 0.248 8.368 2.843 1.00 0.00 O ATOM 703 CB TRP A 52 -1.457 6.180 0.993 1.00 0.00 C ATOM 704 CG TRP A 52 -0.852 5.342 2.079 1.00 0.00 C ATOM 705 CD1 TRP A 52 -1.518 4.689 3.077 1.00 0.00 C ATOM 706 CD2 TRP A 52 0.539 5.068 2.276 1.00 0.00 C ATOM 707 NE1 TRP A 52 -0.623 4.026 3.882 1.00 0.00 N ATOM 708 CE2 TRP A 52 0.645 4.242 3.412 1.00 0.00 C ATOM 709 CE3 TRP A 52 1.706 5.439 1.602 1.00 0.00 C ATOM 710 CZ2 TRP A 52 1.870 3.783 3.887 1.00 0.00 C ATOM 711 CZ3 TRP A 52 2.922 4.983 2.075 1.00 0.00 C ATOM 712 CH2 TRP A 52 2.997 4.162 3.208 1.00 0.00 C ATOM 0 H TRP A 52 -2.177 7.878 -0.645 1.00 0.00 H new ATOM 0 HA TRP A 52 -2.118 7.846 2.180 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.478 5.845 0.812 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.901 6.022 0.069 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.589 4.693 3.213 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.864 3.464 4.698 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.658 6.071 0.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.930 3.150 4.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.830 5.264 1.562 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.962 3.822 3.552 1.00 0.00 H new ATOM 723 N ILE A 53 0.778 8.292 0.657 1.00 0.00 N ATOM 724 CA ILE A 53 2.151 8.737 0.863 1.00 0.00 C ATOM 725 C ILE A 53 2.192 10.072 1.598 1.00 0.00 C ATOM 726 O ILE A 53 3.062 10.306 2.437 1.00 0.00 O ATOM 727 CB ILE A 53 2.904 8.876 -0.474 1.00 0.00 C ATOM 728 CG1 ILE A 53 3.214 7.495 -1.055 1.00 0.00 C ATOM 729 CG2 ILE A 53 4.185 9.674 -0.280 1.00 0.00 C ATOM 730 CD1 ILE A 53 3.772 7.542 -2.460 1.00 0.00 C ATOM 0 H ILE A 53 0.535 8.110 -0.317 1.00 0.00 H new ATOM 0 HA ILE A 53 2.642 7.976 1.470 1.00 0.00 H new ATOM 0 HB ILE A 53 2.268 9.412 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.928 6.989 -0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.303 6.897 -1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.706 9.764 -1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.941 10.668 0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.827 9.163 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.968 6.528 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.050 8.019 -3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.701 8.113 -2.464 1.00 0.00 H new ATOM 742 N LYS A 54 1.244 10.947 1.278 1.00 0.00 N ATOM 743 CA LYS A 54 1.168 12.259 1.909 1.00 0.00 C ATOM 744 C LYS A 54 0.802 12.133 3.385 1.00 0.00 C ATOM 745 O LYS A 54 1.495 12.661 4.253 1.00 0.00 O ATOM 746 CB LYS A 54 0.140 13.135 1.190 1.00 0.00 C ATOM 747 CG LYS A 54 0.658 13.748 -0.099 1.00 0.00 C ATOM 748 CD LYS A 54 0.994 12.681 -1.128 1.00 0.00 C ATOM 749 CE LYS A 54 1.245 13.289 -2.499 1.00 0.00 C ATOM 750 NZ LYS A 54 2.495 14.099 -2.526 1.00 0.00 N ATOM 0 H LYS A 54 0.517 10.770 0.585 1.00 0.00 H new ATOM 0 HA LYS A 54 2.150 12.727 1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.743 12.536 0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.177 13.934 1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.092 14.426 -0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.546 14.344 0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.877 12.129 -0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.175 11.964 -1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.311 12.494 -3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.399 13.917 -2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.631 14.496 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.422 14.873 -1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.306 13.494 -2.285 1.00 0.00 H new ATOM 764 N SER A 55 -0.291 11.428 3.660 1.00 0.00 N ATOM 765 CA SER A 55 -0.750 11.234 5.030 1.00 0.00 C ATOM 766 C SER A 55 0.268 10.434 5.837 1.00 0.00 C ATOM 767 O SER A 55 0.872 10.948 6.779 1.00 0.00 O ATOM 768 CB SER A 55 -2.102 10.518 5.041 1.00 0.00 C ATOM 769 OG SER A 55 -2.639 10.462 6.351 1.00 0.00 O ATOM 0 H SER A 55 -0.875 10.982 2.952 1.00 0.00 H new ATOM 0 HA SER A 55 -0.862 12.215 5.491 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.797 11.037 4.382 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.985 9.508 4.649 1.00 0.00 H new ATOM 0 HG SER A 55 -3.504 10.001 6.331 1.00 0.00 H new ATOM 775 N SER A 56 0.454 9.173 5.460 1.00 0.00 N ATOM 776 CA SER A 56 1.396 8.300 6.150 1.00 0.00 C ATOM 777 C SER A 56 2.790 8.920 6.179 1.00 0.00 C ATOM 778 O SER A 56 3.622 8.562 7.013 1.00 0.00 O ATOM 779 CB SER A 56 1.448 6.931 5.468 1.00 0.00 C ATOM 780 OG SER A 56 1.746 5.907 6.401 1.00 0.00 O ATOM 0 H SER A 56 -0.035 8.733 4.681 1.00 0.00 H new ATOM 0 HA SER A 56 1.052 8.174 7.177 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.491 6.723 4.989 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.203 6.942 4.682 1.00 0.00 H new ATOM 0 HG SER A 56 1.854 5.055 5.929 1.00 0.00 H new ATOM 786 N ASP A 57 3.036 9.850 5.264 1.00 0.00 N ATOM 787 CA ASP A 57 4.328 10.522 5.184 1.00 0.00 C ATOM 788 C ASP A 57 5.438 9.528 4.857 1.00 0.00 C ATOM 789 O ASP A 57 6.594 9.725 5.233 1.00 0.00 O ATOM 790 CB ASP A 57 4.637 11.236 6.501 1.00 0.00 C ATOM 791 CG ASP A 57 3.417 11.916 7.092 1.00 0.00 C ATOM 792 OD1 ASP A 57 2.880 12.837 6.443 1.00 0.00 O ATOM 793 OD2 ASP A 57 3.001 11.527 8.203 1.00 0.00 O ATOM 0 H ASP A 57 2.358 10.156 4.567 1.00 0.00 H new ATOM 0 HA ASP A 57 4.278 11.259 4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.030 10.515 7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.418 11.978 6.334 1.00 0.00 H new ATOM 798 N THR A 58 5.079 8.458 4.155 1.00 0.00 N ATOM 799 CA THR A 58 6.043 7.431 3.779 1.00 0.00 C ATOM 800 C THR A 58 6.068 7.227 2.269 1.00 0.00 C ATOM 801 O THR A 58 5.022 7.190 1.621 1.00 0.00 O ATOM 802 CB THR A 58 5.728 6.087 4.462 1.00 0.00 C ATOM 803 OG1 THR A 58 5.793 6.233 5.885 1.00 0.00 O ATOM 804 CG2 THR A 58 6.703 5.010 4.012 1.00 0.00 C ATOM 0 H THR A 58 4.127 8.280 3.835 1.00 0.00 H new ATOM 0 HA THR A 58 7.021 7.779 4.112 1.00 0.00 H new ATOM 0 HB THR A 58 4.721 5.786 4.174 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.590 5.374 6.312 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.461 4.070 4.508 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.629 4.881 2.932 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.719 5.307 4.273 1.00 0.00 H new ATOM 812 N ARG A 59 7.269 7.096 1.714 1.00 0.00 N ATOM 813 CA ARG A 59 7.429 6.896 0.279 1.00 0.00 C ATOM 814 C ARG A 59 7.681 5.425 -0.040 1.00 0.00 C ATOM 815 O ARG A 59 7.130 4.884 -1.000 1.00 0.00 O ATOM 816 CB ARG A 59 8.584 7.749 -0.250 1.00 0.00 C ATOM 817 CG ARG A 59 8.402 9.238 -0.007 1.00 0.00 C ATOM 818 CD ARG A 59 9.069 10.066 -1.094 1.00 0.00 C ATOM 819 NE ARG A 59 10.523 9.923 -1.075 1.00 0.00 N ATOM 820 CZ ARG A 59 11.327 10.694 -0.352 1.00 0.00 C ATOM 821 NH1 ARG A 59 10.822 11.656 0.408 1.00 0.00 N ATOM 822 NH2 ARG A 59 12.640 10.503 -0.387 1.00 0.00 N ATOM 0 H ARG A 59 8.145 7.125 2.236 1.00 0.00 H new ATOM 0 HA ARG A 59 6.505 7.203 -0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.511 7.423 0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.693 7.575 -1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.339 9.474 0.031 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.822 9.503 0.963 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.687 9.761 -2.068 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.806 11.116 -0.963 1.00 0.00 H new ATOM 0 HE ARG A 59 10.943 9.191 -1.648 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.813 11.805 0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.442 12.247 0.962 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.032 9.763 -0.970 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.257 11.096 0.169 1.00 0.00 H new ATOM 836 N CYS A 60 8.518 4.785 0.769 1.00 0.00 N ATOM 837 CA CYS A 60 8.845 3.377 0.572 1.00 0.00 C ATOM 838 C CYS A 60 7.929 2.485 1.404 1.00 0.00 C ATOM 839 O CYS A 60 7.073 2.972 2.142 1.00 0.00 O ATOM 840 CB CYS A 60 10.305 3.114 0.940 1.00 0.00 C ATOM 841 SG CYS A 60 11.483 4.216 0.122 1.00 0.00 S ATOM 0 H CYS A 60 8.982 5.218 1.567 1.00 0.00 H new ATOM 0 HA CYS A 60 8.696 3.139 -0.481 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.420 3.214 2.019 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.552 2.083 0.687 1.00 0.00 H new ATOM 0 HG CYS A 60 12.691 3.917 0.499 1.00 0.00 H new ATOM 847 N CYS A 61 8.115 1.175 1.279 1.00 0.00 N ATOM 848 CA CYS A 61 7.305 0.213 2.018 1.00 0.00 C ATOM 849 C CYS A 61 7.617 0.273 3.510 1.00 0.00 C ATOM 850 O CYS A 61 8.600 0.885 3.925 1.00 0.00 O ATOM 851 CB CYS A 61 7.549 -1.202 1.490 1.00 0.00 C ATOM 852 SG CYS A 61 6.293 -2.415 2.009 1.00 0.00 S ATOM 0 H CYS A 61 8.820 0.755 0.673 1.00 0.00 H new ATOM 0 HA CYS A 61 6.256 0.471 1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.581 -1.172 0.401 1.00 0.00 H new ATOM 0 HB3 CYS A 61 8.528 -1.541 1.829 1.00 0.00 H new ATOM 857 N GLU A 62 6.771 -0.368 4.311 1.00 0.00 N ATOM 858 CA GLU A 62 6.957 -0.388 5.758 1.00 0.00 C ATOM 859 C GLU A 62 7.843 -1.557 6.177 1.00 0.00 C ATOM 860 O GLU A 62 8.599 -1.462 7.145 1.00 0.00 O ATOM 861 CB GLU A 62 5.604 -0.480 6.466 1.00 0.00 C ATOM 862 CG GLU A 62 5.711 -0.503 7.982 1.00 0.00 C ATOM 863 CD GLU A 62 6.198 0.814 8.553 1.00 0.00 C ATOM 864 OE1 GLU A 62 7.263 1.294 8.111 1.00 0.00 O ATOM 865 OE2 GLU A 62 5.515 1.365 9.441 1.00 0.00 O ATOM 0 H GLU A 62 5.952 -0.879 3.983 1.00 0.00 H new ATOM 0 HA GLU A 62 7.449 0.540 6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.988 0.368 6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.089 -1.381 6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.736 -0.741 8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.393 -1.299 8.282 1.00 0.00 H new ATOM 872 N LEU A 63 7.745 -2.659 5.442 1.00 0.00 N ATOM 873 CA LEU A 63 8.537 -3.849 5.737 1.00 0.00 C ATOM 874 C LEU A 63 9.723 -3.962 4.784 1.00 0.00 C ATOM 875 O LEU A 63 10.876 -3.820 5.192 1.00 0.00 O ATOM 876 CB LEU A 63 7.667 -5.103 5.638 1.00 0.00 C ATOM 877 CG LEU A 63 6.316 -5.040 6.351 1.00 0.00 C ATOM 878 CD1 LEU A 63 5.306 -5.944 5.662 1.00 0.00 C ATOM 879 CD2 LEU A 63 6.468 -5.426 7.816 1.00 0.00 C ATOM 0 H LEU A 63 7.125 -2.754 4.637 1.00 0.00 H new ATOM 0 HA LEU A 63 8.918 -3.759 6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.489 -5.315 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.230 -5.944 6.042 1.00 0.00 H new ATOM 0 HG LEU A 63 5.948 -4.015 6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.351 -5.886 6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.175 -5.623 4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.667 -6.972 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.497 -5.376 8.308 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.858 -6.441 7.886 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.158 -4.738 8.304 1.00 0.00 H new ATOM 891 N CYS A 64 9.432 -4.218 3.513 1.00 0.00 N ATOM 892 CA CYS A 64 10.474 -4.350 2.501 1.00 0.00 C ATOM 893 C CYS A 64 11.183 -3.018 2.274 1.00 0.00 C ATOM 894 O CYS A 64 12.234 -2.962 1.637 1.00 0.00 O ATOM 895 CB CYS A 64 9.875 -4.852 1.186 1.00 0.00 C ATOM 896 SG CYS A 64 8.845 -3.624 0.321 1.00 0.00 S ATOM 0 H CYS A 64 8.483 -4.338 3.159 1.00 0.00 H new ATOM 0 HA CYS A 64 11.205 -5.074 2.860 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.685 -5.161 0.525 1.00 0.00 H new ATOM 0 HB3 CYS A 64 9.273 -5.738 1.388 1.00 0.00 H new ATOM 901 N LYS A 65 10.600 -1.946 2.802 1.00 0.00 N ATOM 902 CA LYS A 65 11.175 -0.614 2.659 1.00 0.00 C ATOM 903 C LYS A 65 11.569 -0.344 1.211 1.00 0.00 C ATOM 904 O LYS A 65 12.681 0.107 0.934 1.00 0.00 O ATOM 905 CB LYS A 65 12.396 -0.463 3.569 1.00 0.00 C ATOM 906 CG LYS A 65 12.060 -0.496 5.049 1.00 0.00 C ATOM 907 CD LYS A 65 11.308 0.753 5.478 1.00 0.00 C ATOM 908 CE LYS A 65 11.577 1.093 6.936 1.00 0.00 C ATOM 909 NZ LYS A 65 10.983 0.087 7.859 1.00 0.00 N ATOM 0 H LYS A 65 9.729 -1.974 3.333 1.00 0.00 H new ATOM 0 HA LYS A 65 10.419 0.114 2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.104 -1.262 3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.895 0.478 3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.457 -1.378 5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.978 -0.587 5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.604 1.591 4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.238 0.604 5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.653 1.149 7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.168 2.078 7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.711 0.551 8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.141 -0.335 7.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.681 -0.658 8.056 1.00 0.00 H new ATOM 923 N TYR A 66 10.652 -0.620 0.291 1.00 0.00 N ATOM 924 CA TYR A 66 10.905 -0.408 -1.129 1.00 0.00 C ATOM 925 C TYR A 66 10.195 0.847 -1.627 1.00 0.00 C ATOM 926 O TYR A 66 9.025 1.075 -1.320 1.00 0.00 O ATOM 927 CB TYR A 66 10.446 -1.622 -1.938 1.00 0.00 C ATOM 928 CG TYR A 66 10.567 -1.435 -3.433 1.00 0.00 C ATOM 929 CD1 TYR A 66 11.794 -1.572 -4.073 1.00 0.00 C ATOM 930 CD2 TYR A 66 9.457 -1.120 -4.207 1.00 0.00 C ATOM 931 CE1 TYR A 66 11.910 -1.401 -5.439 1.00 0.00 C ATOM 932 CE2 TYR A 66 9.563 -0.949 -5.573 1.00 0.00 C ATOM 933 CZ TYR A 66 10.792 -1.090 -6.185 1.00 0.00 C ATOM 934 OH TYR A 66 10.902 -0.919 -7.546 1.00 0.00 O ATOM 0 H TYR A 66 9.726 -0.991 0.503 1.00 0.00 H new ATOM 0 HA TYR A 66 11.978 -0.275 -1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 66 11.034 -2.490 -1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.407 -1.841 -1.691 1.00 0.00 H new ATOM 0 HD1 TYR A 66 12.671 -1.816 -3.492 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.494 -1.007 -3.732 1.00 0.00 H new ATOM 0 HE1 TYR A 66 12.871 -1.510 -5.920 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.689 -0.706 -6.159 1.00 0.00 H new ATOM 0 HH TYR A 66 10.022 -0.705 -7.921 1.00 0.00 H new ATOM 944 N GLU A 67 10.912 1.658 -2.399 1.00 0.00 N ATOM 945 CA GLU A 67 10.351 2.891 -2.940 1.00 0.00 C ATOM 946 C GLU A 67 9.209 2.590 -3.906 1.00 0.00 C ATOM 947 O GLU A 67 9.375 1.840 -4.868 1.00 0.00 O ATOM 948 CB GLU A 67 11.436 3.702 -3.652 1.00 0.00 C ATOM 949 CG GLU A 67 11.205 5.203 -3.602 1.00 0.00 C ATOM 950 CD GLU A 67 12.402 5.993 -4.093 1.00 0.00 C ATOM 951 OE1 GLU A 67 13.544 5.599 -3.776 1.00 0.00 O ATOM 952 OE2 GLU A 67 12.198 7.007 -4.793 1.00 0.00 O ATOM 0 H GLU A 67 11.882 1.484 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 67 9.957 3.476 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.402 3.476 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.490 3.386 -4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.335 5.454 -4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.975 5.498 -2.578 1.00 0.00 H new ATOM 959 N PHE A 68 8.048 3.182 -3.643 1.00 0.00 N ATOM 960 CA PHE A 68 6.877 2.977 -4.487 1.00 0.00 C ATOM 961 C PHE A 68 7.049 3.672 -5.834 1.00 0.00 C ATOM 962 O PHE A 68 7.936 4.509 -6.003 1.00 0.00 O ATOM 963 CB PHE A 68 5.620 3.500 -3.788 1.00 0.00 C ATOM 964 CG PHE A 68 5.344 2.830 -2.472 1.00 0.00 C ATOM 965 CD1 PHE A 68 5.571 1.474 -2.309 1.00 0.00 C ATOM 966 CD2 PHE A 68 4.855 3.558 -1.399 1.00 0.00 C ATOM 967 CE1 PHE A 68 5.318 0.854 -1.099 1.00 0.00 C ATOM 968 CE2 PHE A 68 4.601 2.944 -0.187 1.00 0.00 C ATOM 969 CZ PHE A 68 4.831 1.591 -0.037 1.00 0.00 C ATOM 0 H PHE A 68 7.894 3.807 -2.852 1.00 0.00 H new ATOM 0 HA PHE A 68 6.769 1.906 -4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.724 4.573 -3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.762 3.358 -4.446 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.950 0.893 -3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.670 4.616 -1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.501 -0.204 -0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.223 3.523 0.643 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.631 1.110 0.909 1.00 0.00 H new ATOM 979 N ILE A 69 6.196 3.317 -6.789 1.00 0.00 N ATOM 980 CA ILE A 69 6.254 3.907 -8.121 1.00 0.00 C ATOM 981 C ILE A 69 5.244 5.040 -8.265 1.00 0.00 C ATOM 982 O ILE A 69 4.034 4.815 -8.233 1.00 0.00 O ATOM 983 CB ILE A 69 5.987 2.855 -9.214 1.00 0.00 C ATOM 984 CG1 ILE A 69 7.029 1.736 -9.142 1.00 0.00 C ATOM 985 CG2 ILE A 69 5.996 3.506 -10.589 1.00 0.00 C ATOM 986 CD1 ILE A 69 6.674 0.643 -8.159 1.00 0.00 C ATOM 0 H ILE A 69 5.457 2.625 -6.666 1.00 0.00 H new ATOM 0 HA ILE A 69 7.261 4.303 -8.247 1.00 0.00 H new ATOM 0 HB ILE A 69 5.002 2.420 -9.045 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.149 1.298 -10.133 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.992 2.165 -8.864 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.806 2.750 -11.351 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.220 4.270 -10.635 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.968 3.965 -10.768 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.456 -0.116 -8.161 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.583 1.068 -7.159 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.727 0.188 -8.448 1.00 0.00 H new ATOM 998 N MET A 70 5.749 6.259 -8.426 1.00 0.00 N ATOM 999 CA MET A 70 4.890 7.427 -8.578 1.00 0.00 C ATOM 1000 C MET A 70 5.337 8.280 -9.761 1.00 0.00 C ATOM 1001 O MET A 70 6.376 8.937 -9.707 1.00 0.00 O ATOM 1002 CB MET A 70 4.901 8.265 -7.298 1.00 0.00 C ATOM 1003 CG MET A 70 4.170 9.591 -7.433 1.00 0.00 C ATOM 1004 SD MET A 70 4.455 10.687 -6.030 1.00 0.00 S ATOM 1005 CE MET A 70 3.774 9.711 -4.692 1.00 0.00 C ATOM 0 H MET A 70 6.748 6.463 -8.455 1.00 0.00 H new ATOM 0 HA MET A 70 3.875 7.078 -8.767 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.446 7.689 -6.492 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.934 8.457 -7.008 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.492 10.088 -8.348 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.101 9.404 -7.531 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.763 10.305 -3.778 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.757 9.411 -4.942 1.00 0.00 H new ATOM 0 HE3 MET A 70 4.388 8.823 -4.540 1.00 0.00 H new ATOM 1015 N GLU A 71 4.545 8.264 -10.829 1.00 0.00 N ATOM 1016 CA GLU A 71 4.862 9.035 -12.025 1.00 0.00 C ATOM 1017 C GLU A 71 5.297 10.452 -11.660 1.00 0.00 C ATOM 1018 O GLU A 71 4.476 11.287 -11.278 1.00 0.00 O ATOM 1019 CB GLU A 71 3.652 9.087 -12.961 1.00 0.00 C ATOM 1020 CG GLU A 71 3.222 7.723 -13.475 1.00 0.00 C ATOM 1021 CD GLU A 71 2.276 7.817 -14.657 1.00 0.00 C ATOM 1022 OE1 GLU A 71 1.447 8.750 -14.679 1.00 0.00 O ATOM 1023 OE2 GLU A 71 2.366 6.958 -15.559 1.00 0.00 O ATOM 0 H GLU A 71 3.680 7.726 -10.890 1.00 0.00 H new ATOM 0 HA GLU A 71 5.688 8.540 -12.537 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.816 9.548 -12.435 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.887 9.729 -13.810 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.105 7.153 -13.765 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.737 7.171 -12.669 1.00 0.00 H new ATOM 1030 N THR A 72 6.594 10.715 -11.780 1.00 0.00 N ATOM 1031 CA THR A 72 7.140 12.029 -11.461 1.00 0.00 C ATOM 1032 C THR A 72 7.606 12.751 -12.720 1.00 0.00 C ATOM 1033 O THR A 72 8.203 12.146 -13.610 1.00 0.00 O ATOM 1034 CB THR A 72 8.320 11.923 -10.477 1.00 0.00 C ATOM 1035 OG1 THR A 72 8.785 13.232 -10.128 1.00 0.00 O ATOM 1036 CG2 THR A 72 9.460 11.119 -11.083 1.00 0.00 C ATOM 0 H THR A 72 7.286 10.036 -12.096 1.00 0.00 H new ATOM 0 HA THR A 72 6.337 12.600 -10.994 1.00 0.00 H new ATOM 0 HB THR A 72 7.972 11.410 -9.580 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.534 13.157 -9.501 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.282 11.058 -10.369 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.110 10.114 -11.321 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.806 11.608 -11.994 1.00 0.00 H new ATOM 1044 N LYS A 73 7.330 14.049 -12.789 1.00 0.00 N ATOM 1045 CA LYS A 73 7.722 14.855 -13.938 1.00 0.00 C ATOM 1046 C LYS A 73 8.541 16.065 -13.500 1.00 0.00 C ATOM 1047 O LYS A 73 9.567 16.385 -14.102 1.00 0.00 O ATOM 1048 CB LYS A 73 6.484 15.316 -14.710 1.00 0.00 C ATOM 1049 CG LYS A 73 5.955 14.280 -15.686 1.00 0.00 C ATOM 1050 CD LYS A 73 4.953 13.350 -15.024 1.00 0.00 C ATOM 1051 CE LYS A 73 4.369 12.359 -16.019 1.00 0.00 C ATOM 1052 NZ LYS A 73 3.268 12.961 -16.820 1.00 0.00 N ATOM 0 H LYS A 73 6.836 14.565 -12.061 1.00 0.00 H new ATOM 0 HA LYS A 73 8.340 14.237 -14.590 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.697 15.569 -14.000 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.726 16.228 -15.256 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.483 14.782 -16.531 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.785 13.697 -16.085 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.439 12.808 -14.212 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.149 13.937 -14.579 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.156 12.010 -16.688 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.994 11.486 -15.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.897 12.254 -17.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.506 13.272 -16.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.631 13.779 -17.350 1.00 0.00 H new ATOM 1066 N LEU A 74 8.083 16.734 -12.447 1.00 0.00 N ATOM 1067 CA LEU A 74 8.774 17.909 -11.927 1.00 0.00 C ATOM 1068 C LEU A 74 9.066 17.753 -10.438 1.00 0.00 C ATOM 1069 O LEU A 74 8.256 17.205 -9.690 1.00 0.00 O ATOM 1070 CB LEU A 74 7.935 19.165 -12.165 1.00 0.00 C ATOM 1071 CG LEU A 74 8.692 20.493 -12.138 1.00 0.00 C ATOM 1072 CD1 LEU A 74 9.284 20.798 -13.505 1.00 0.00 C ATOM 1073 CD2 LEU A 74 7.775 21.621 -11.688 1.00 0.00 C ATOM 0 H LEU A 74 7.236 16.483 -11.937 1.00 0.00 H new ATOM 0 HA LEU A 74 9.722 18.007 -12.456 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.442 19.070 -13.133 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.150 19.202 -11.410 1.00 0.00 H new ATOM 0 HG LEU A 74 9.509 20.409 -11.422 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.819 21.747 -13.466 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.974 20.003 -13.788 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.484 20.863 -14.242 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.331 22.558 -11.675 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.937 21.706 -12.379 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.400 21.408 -10.687 1.00 0.00 H new ATOM 1085 N SER A 75 10.227 18.241 -10.014 1.00 0.00 N ATOM 1086 CA SER A 75 10.627 18.155 -8.614 1.00 0.00 C ATOM 1087 C SER A 75 9.484 18.575 -7.695 1.00 0.00 C ATOM 1088 O SER A 75 9.214 17.927 -6.685 1.00 0.00 O ATOM 1089 CB SER A 75 11.853 19.034 -8.357 1.00 0.00 C ATOM 1090 OG SER A 75 11.503 20.407 -8.350 1.00 0.00 O ATOM 0 H SER A 75 10.907 18.700 -10.620 1.00 0.00 H new ATOM 0 HA SER A 75 10.881 17.117 -8.398 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.303 18.765 -7.401 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.604 18.851 -9.126 1.00 0.00 H new ATOM 0 HG SER A 75 12.303 20.948 -8.182 1.00 0.00 H new ATOM 1096 N GLY A 76 8.815 19.667 -8.055 1.00 0.00 N ATOM 1097 CA GLY A 76 7.709 20.156 -7.253 1.00 0.00 C ATOM 1098 C GLY A 76 8.140 20.568 -5.859 1.00 0.00 C ATOM 1099 O GLY A 76 9.319 20.807 -5.596 1.00 0.00 O ATOM 0 H GLY A 76 9.019 20.221 -8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.250 21.008 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.947 19.380 -7.180 1.00 0.00 H new ATOM 1103 N PRO A 77 7.170 20.657 -4.938 1.00 0.00 N ATOM 1104 CA PRO A 77 7.431 21.043 -3.548 1.00 0.00 C ATOM 1105 C PRO A 77 8.196 19.970 -2.782 1.00 0.00 C ATOM 1106 O PRO A 77 8.141 18.789 -3.127 1.00 0.00 O ATOM 1107 CB PRO A 77 6.029 21.224 -2.960 1.00 0.00 C ATOM 1108 CG PRO A 77 5.153 20.358 -3.798 1.00 0.00 C ATOM 1109 CD PRO A 77 5.743 20.386 -5.181 1.00 0.00 C ATOM 0 HA PRO A 77 8.053 21.936 -3.483 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.997 20.924 -1.913 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.713 22.266 -3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.122 19.341 -3.408 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.128 20.729 -3.803 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.597 19.438 -5.700 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.286 21.160 -5.797 1.00 0.00 H new ATOM 1117 N SER A 78 8.908 20.387 -1.739 1.00 0.00 N ATOM 1118 CA SER A 78 9.686 19.460 -0.926 1.00 0.00 C ATOM 1119 C SER A 78 9.881 20.008 0.485 1.00 0.00 C ATOM 1120 O SER A 78 9.577 21.168 0.759 1.00 0.00 O ATOM 1121 CB SER A 78 11.046 19.197 -1.575 1.00 0.00 C ATOM 1122 OG SER A 78 10.972 18.123 -2.497 1.00 0.00 O ATOM 0 H SER A 78 8.962 21.360 -1.438 1.00 0.00 H new ATOM 0 HA SER A 78 9.135 18.522 -0.861 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.388 20.097 -2.086 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.782 18.969 -0.804 1.00 0.00 H new ATOM 0 HG SER A 78 10.076 18.093 -2.893 1.00 0.00 H new ATOM 1128 N SER A 79 10.391 19.163 1.375 1.00 0.00 N ATOM 1129 CA SER A 79 10.624 19.560 2.759 1.00 0.00 C ATOM 1130 C SER A 79 11.928 20.342 2.888 1.00 0.00 C ATOM 1131 O SER A 79 13.001 19.839 2.559 1.00 0.00 O ATOM 1132 CB SER A 79 10.663 18.328 3.665 1.00 0.00 C ATOM 1133 OG SER A 79 11.735 17.471 3.315 1.00 0.00 O ATOM 0 H SER A 79 10.651 18.200 1.163 1.00 0.00 H new ATOM 0 HA SER A 79 9.802 20.205 3.070 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.767 18.640 4.704 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.720 17.786 3.588 1.00 0.00 H new ATOM 0 HG SER A 79 12.423 17.984 2.841 1.00 0.00 H new ATOM 1139 N GLY A 80 11.825 21.577 3.371 1.00 0.00 N ATOM 1140 CA GLY A 80 13.002 22.409 3.536 1.00 0.00 C ATOM 1141 C GLY A 80 12.677 23.760 4.142 1.00 0.00 C ATOM 1142 O GLY A 80 13.580 24.580 4.297 1.00 0.00 O ATOM 0 H GLY A 80 10.948 22.015 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.722 21.893 4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.479 22.554 2.567 1.00 0.00 H new TER 1146 GLY A 80 HETATM 1147 ZN ZN A 201 -8.074 3.431 -4.843 1.00 0.00 ZN HETATM 1148 ZN ZN A 401 6.559 -4.069 0.334 1.00 0.00 ZN