USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 541 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 50 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 52 SER OG : rot 180:sc= -0.0019 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0824 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0406 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 21:sc= 0.357 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0306 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.461 K(o=-0.46,f=-1.1) USER MOD Single : A 28 ASN : amide:sc=-0.00798 X(o=-0.008,f=-0.008) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -149:sc= -6.13! (180deg=-8.88!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0552 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0836 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.07 USER MOD Single : A 70 HIS : no HE2:sc= -3.84! K(o=-3.8!,f=-2.7) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 75 SER OG : rot 180:sc= -0.123 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 28:sc= 0.705 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.067 16.052 -34.786 1.00 0.00 N ATOM 2 CA GLY A 1 -35.523 14.942 -34.026 1.00 0.00 C ATOM 3 C GLY A 1 -35.637 15.153 -32.529 1.00 0.00 C ATOM 4 O GLY A 1 -35.956 16.251 -32.073 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.896 15.730 -35.326 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.351 16.812 -34.135 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.344 16.411 -35.442 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.046 14.026 -34.302 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.475 14.803 -34.291 1.00 0.00 H new ATOM 8 N SER A 2 -35.377 14.099 -31.763 1.00 0.00 N ATOM 9 CA SER A 2 -35.457 14.172 -30.309 1.00 0.00 C ATOM 10 C SER A 2 -34.902 12.903 -29.669 1.00 0.00 C ATOM 11 O SER A 2 -34.898 11.836 -30.282 1.00 0.00 O ATOM 12 CB SER A 2 -36.906 14.388 -29.867 1.00 0.00 C ATOM 13 OG SER A 2 -37.044 14.214 -28.467 1.00 0.00 O ATOM 0 H SER A 2 -35.109 13.184 -32.125 1.00 0.00 H new ATOM 0 HA SER A 2 -34.854 15.018 -29.979 1.00 0.00 H new ATOM 0 HB2 SER A 2 -37.229 15.391 -30.145 1.00 0.00 H new ATOM 0 HB3 SER A 2 -37.557 13.687 -30.390 1.00 0.00 H new ATOM 0 HG SER A 2 -37.978 14.359 -28.210 1.00 0.00 H new ATOM 19 N SER A 3 -34.434 13.028 -28.431 1.00 0.00 N ATOM 20 CA SER A 3 -33.872 11.893 -27.708 1.00 0.00 C ATOM 21 C SER A 3 -33.527 12.280 -26.273 1.00 0.00 C ATOM 22 O SER A 3 -33.239 13.441 -25.983 1.00 0.00 O ATOM 23 CB SER A 3 -32.623 11.374 -28.423 1.00 0.00 C ATOM 24 OG SER A 3 -31.552 12.296 -28.314 1.00 0.00 O ATOM 0 H SER A 3 -34.433 13.904 -27.908 1.00 0.00 H new ATOM 0 HA SER A 3 -34.622 11.102 -27.682 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.327 10.416 -27.995 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.849 11.197 -29.475 1.00 0.00 H new ATOM 0 HG SER A 3 -30.765 11.940 -28.778 1.00 0.00 H new ATOM 30 N GLY A 4 -33.559 11.298 -25.378 1.00 0.00 N ATOM 31 CA GLY A 4 -33.248 11.554 -23.984 1.00 0.00 C ATOM 32 C GLY A 4 -33.161 10.281 -23.166 1.00 0.00 C ATOM 33 O GLY A 4 -33.935 10.082 -22.229 1.00 0.00 O ATOM 0 H GLY A 4 -33.795 10.329 -25.593 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.301 12.090 -23.919 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -34.012 12.204 -23.558 1.00 0.00 H new ATOM 37 N SER A 5 -32.217 9.415 -23.520 1.00 0.00 N ATOM 38 CA SER A 5 -32.035 8.151 -22.816 1.00 0.00 C ATOM 39 C SER A 5 -31.289 8.364 -21.502 1.00 0.00 C ATOM 40 O SER A 5 -30.496 9.297 -21.370 1.00 0.00 O ATOM 41 CB SER A 5 -31.271 7.159 -23.694 1.00 0.00 C ATOM 42 OG SER A 5 -32.077 6.700 -24.765 1.00 0.00 O ATOM 0 H SER A 5 -31.566 9.566 -24.291 1.00 0.00 H new ATOM 0 HA SER A 5 -33.021 7.743 -22.593 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.373 7.634 -24.088 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.945 6.312 -23.091 1.00 0.00 H new ATOM 0 HG SER A 5 -31.565 6.069 -25.312 1.00 0.00 H new ATOM 48 N SER A 6 -31.550 7.493 -20.532 1.00 0.00 N ATOM 49 CA SER A 6 -30.907 7.587 -19.227 1.00 0.00 C ATOM 50 C SER A 6 -30.957 6.247 -18.500 1.00 0.00 C ATOM 51 O SER A 6 -32.027 5.672 -18.306 1.00 0.00 O ATOM 52 CB SER A 6 -31.583 8.666 -18.379 1.00 0.00 C ATOM 53 OG SER A 6 -32.935 8.334 -18.114 1.00 0.00 O ATOM 0 H SER A 6 -32.202 6.714 -20.626 1.00 0.00 H new ATOM 0 HA SER A 6 -29.863 7.858 -19.382 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.044 8.785 -17.439 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.535 9.623 -18.898 1.00 0.00 H new ATOM 0 HG SER A 6 -33.063 7.369 -18.226 1.00 0.00 H new ATOM 59 N GLY A 7 -29.788 5.755 -18.099 1.00 0.00 N ATOM 60 CA GLY A 7 -29.719 4.486 -17.397 1.00 0.00 C ATOM 61 C GLY A 7 -29.317 3.342 -18.307 1.00 0.00 C ATOM 62 O GLY A 7 -29.968 2.297 -18.327 1.00 0.00 O ATOM 0 H GLY A 7 -28.888 6.212 -18.248 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -29.003 4.565 -16.579 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.689 4.268 -16.951 1.00 0.00 H new ATOM 66 N LYS A 8 -28.243 3.539 -19.063 1.00 0.00 N ATOM 67 CA LYS A 8 -27.755 2.516 -19.980 1.00 0.00 C ATOM 68 C LYS A 8 -26.743 1.606 -19.291 1.00 0.00 C ATOM 69 O LYS A 8 -26.900 0.385 -19.278 1.00 0.00 O ATOM 70 CB LYS A 8 -27.117 3.166 -21.210 1.00 0.00 C ATOM 71 CG LYS A 8 -28.072 4.049 -21.995 1.00 0.00 C ATOM 72 CD LYS A 8 -27.713 4.083 -23.471 1.00 0.00 C ATOM 73 CE LYS A 8 -28.726 4.888 -24.272 1.00 0.00 C ATOM 74 NZ LYS A 8 -28.229 5.199 -25.641 1.00 0.00 N ATOM 0 H LYS A 8 -27.693 4.398 -19.059 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.605 1.912 -20.296 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -26.261 3.762 -20.893 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -26.735 2.384 -21.867 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -29.091 3.681 -21.876 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -28.049 5.061 -21.591 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -26.721 4.517 -23.596 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -27.666 3.065 -23.859 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -29.660 4.330 -24.343 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -28.949 5.817 -23.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -28.947 5.748 -26.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -27.352 5.754 -25.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -28.040 4.313 -26.151 1.00 0.00 H new ATOM 88 N ASP A 9 -25.706 2.208 -18.719 1.00 0.00 N ATOM 89 CA ASP A 9 -24.670 1.452 -18.025 1.00 0.00 C ATOM 90 C ASP A 9 -24.022 2.295 -16.931 1.00 0.00 C ATOM 91 O ASP A 9 -23.240 3.203 -17.214 1.00 0.00 O ATOM 92 CB ASP A 9 -23.607 0.975 -19.016 1.00 0.00 C ATOM 93 CG ASP A 9 -24.206 0.235 -20.196 1.00 0.00 C ATOM 94 OD1 ASP A 9 -24.689 0.905 -21.132 1.00 0.00 O ATOM 95 OD2 ASP A 9 -24.192 -1.014 -20.183 1.00 0.00 O ATOM 0 H ASP A 9 -25.560 3.218 -18.722 1.00 0.00 H new ATOM 0 HA ASP A 9 -25.138 0.584 -17.560 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -23.041 1.833 -19.378 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.902 0.322 -18.502 1.00 0.00 H new ATOM 100 N PHE A 10 -24.353 1.989 -15.681 1.00 0.00 N ATOM 101 CA PHE A 10 -23.805 2.720 -14.545 1.00 0.00 C ATOM 102 C PHE A 10 -22.625 1.969 -13.934 1.00 0.00 C ATOM 103 O PHE A 10 -22.478 0.761 -14.122 1.00 0.00 O ATOM 104 CB PHE A 10 -24.886 2.943 -13.485 1.00 0.00 C ATOM 105 CG PHE A 10 -24.955 1.848 -12.459 1.00 0.00 C ATOM 106 CD1 PHE A 10 -25.540 0.630 -12.765 1.00 0.00 C ATOM 107 CD2 PHE A 10 -24.434 2.037 -11.189 1.00 0.00 C ATOM 108 CE1 PHE A 10 -25.605 -0.380 -11.823 1.00 0.00 C ATOM 109 CE2 PHE A 10 -24.496 1.031 -10.244 1.00 0.00 C ATOM 110 CZ PHE A 10 -25.083 -0.179 -10.561 1.00 0.00 C ATOM 0 H PHE A 10 -24.998 1.240 -15.429 1.00 0.00 H new ATOM 0 HA PHE A 10 -23.452 3.687 -14.903 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -24.699 3.891 -12.981 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -25.854 3.030 -13.978 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -25.950 0.468 -13.751 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -23.975 2.981 -10.935 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -26.064 -1.325 -12.074 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -24.086 1.190 -9.258 1.00 0.00 H new ATOM 0 HZ PHE A 10 -25.133 -0.966 -9.823 1.00 0.00 H new ATOM 120 N LEU A 11 -21.786 2.694 -13.201 1.00 0.00 N ATOM 121 CA LEU A 11 -20.618 2.099 -12.562 1.00 0.00 C ATOM 122 C LEU A 11 -20.970 0.759 -11.924 1.00 0.00 C ATOM 123 O LEU A 11 -21.469 0.708 -10.800 1.00 0.00 O ATOM 124 CB LEU A 11 -20.052 3.048 -11.504 1.00 0.00 C ATOM 125 CG LEU A 11 -21.052 3.583 -10.479 1.00 0.00 C ATOM 126 CD1 LEU A 11 -20.362 3.853 -9.151 1.00 0.00 C ATOM 127 CD2 LEU A 11 -21.725 4.845 -10.999 1.00 0.00 C ATOM 0 H LEU A 11 -21.893 3.695 -13.035 1.00 0.00 H new ATOM 0 HA LEU A 11 -19.862 1.928 -13.329 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -19.256 2.530 -10.969 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -19.595 3.896 -12.013 1.00 0.00 H new ATOM 0 HG LEU A 11 -21.819 2.826 -10.319 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -21.089 4.233 -8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -19.928 2.928 -8.772 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.573 4.592 -9.294 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -22.434 5.212 -10.256 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -20.970 5.608 -11.188 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -22.254 4.620 -11.925 1.00 0.00 H new ATOM 139 N ALA A 12 -20.705 -0.323 -12.647 1.00 0.00 N ATOM 140 CA ALA A 12 -20.990 -1.664 -12.150 1.00 0.00 C ATOM 141 C ALA A 12 -19.703 -2.443 -11.904 1.00 0.00 C ATOM 142 O ALA A 12 -19.549 -3.096 -10.873 1.00 0.00 O ATOM 143 CB ALA A 12 -21.883 -2.411 -13.129 1.00 0.00 C ATOM 0 H ALA A 12 -20.293 -0.298 -13.580 1.00 0.00 H new ATOM 0 HA ALA A 12 -21.513 -1.569 -11.199 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -22.088 -3.410 -12.745 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -22.821 -1.870 -13.251 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -21.381 -2.488 -14.093 1.00 0.00 H new ATOM 149 N MET A 13 -18.781 -2.371 -12.859 1.00 0.00 N ATOM 150 CA MET A 13 -17.506 -3.070 -12.745 1.00 0.00 C ATOM 151 C MET A 13 -16.672 -2.497 -11.603 1.00 0.00 C ATOM 152 O MET A 13 -16.052 -1.442 -11.743 1.00 0.00 O ATOM 153 CB MET A 13 -16.728 -2.974 -14.058 1.00 0.00 C ATOM 154 CG MET A 13 -17.079 -4.068 -15.054 1.00 0.00 C ATOM 155 SD MET A 13 -16.568 -3.667 -16.736 1.00 0.00 S ATOM 156 CE MET A 13 -18.158 -3.482 -17.538 1.00 0.00 C ATOM 0 H MET A 13 -18.893 -1.836 -13.720 1.00 0.00 H new ATOM 0 HA MET A 13 -17.713 -4.118 -12.530 1.00 0.00 H new ATOM 0 HB2 MET A 13 -16.920 -2.003 -14.515 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.660 -3.019 -13.842 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.604 -5.000 -14.747 1.00 0.00 H new ATOM 0 HG3 MET A 13 -18.156 -4.238 -15.036 1.00 0.00 H new ATOM 0 HE1 MET A 13 -18.009 -3.232 -18.588 1.00 0.00 H new ATOM 0 HE2 MET A 13 -18.714 -4.416 -17.463 1.00 0.00 H new ATOM 0 HE3 MET A 13 -18.720 -2.685 -17.052 1.00 0.00 H new ATOM 166 N PHE A 14 -16.661 -3.198 -10.474 1.00 0.00 N ATOM 167 CA PHE A 14 -15.904 -2.757 -9.308 1.00 0.00 C ATOM 168 C PHE A 14 -14.636 -3.589 -9.138 1.00 0.00 C ATOM 169 O PHE A 14 -13.556 -3.050 -8.894 1.00 0.00 O ATOM 170 CB PHE A 14 -16.765 -2.856 -8.048 1.00 0.00 C ATOM 171 CG PHE A 14 -16.006 -2.588 -6.780 1.00 0.00 C ATOM 172 CD1 PHE A 14 -15.776 -1.289 -6.356 1.00 0.00 C ATOM 173 CD2 PHE A 14 -15.521 -3.635 -6.013 1.00 0.00 C ATOM 174 CE1 PHE A 14 -15.077 -1.040 -5.190 1.00 0.00 C ATOM 175 CE2 PHE A 14 -14.821 -3.392 -4.846 1.00 0.00 C ATOM 176 CZ PHE A 14 -14.600 -2.092 -4.433 1.00 0.00 C ATOM 0 H PHE A 14 -17.167 -4.073 -10.342 1.00 0.00 H new ATOM 0 HA PHE A 14 -15.618 -1.717 -9.463 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -17.590 -2.148 -8.125 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -17.204 -3.852 -7.995 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -16.147 -0.462 -6.943 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -15.692 -4.653 -6.331 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.904 -0.023 -4.871 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.447 -4.217 -4.258 1.00 0.00 H new ATOM 0 HZ PHE A 14 -14.056 -1.899 -3.520 1.00 0.00 H new ATOM 186 N SER A 15 -14.776 -4.904 -9.267 1.00 0.00 N ATOM 187 CA SER A 15 -13.643 -5.811 -9.123 1.00 0.00 C ATOM 188 C SER A 15 -12.388 -5.218 -9.756 1.00 0.00 C ATOM 189 O SER A 15 -12.451 -4.416 -10.688 1.00 0.00 O ATOM 190 CB SER A 15 -13.961 -7.163 -9.765 1.00 0.00 C ATOM 191 OG SER A 15 -15.264 -7.598 -9.419 1.00 0.00 O ATOM 0 H SER A 15 -15.662 -5.365 -9.471 1.00 0.00 H new ATOM 0 HA SER A 15 -13.458 -5.956 -8.059 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.877 -7.083 -10.849 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.229 -7.904 -9.442 1.00 0.00 H new ATOM 0 HG SER A 15 -15.443 -8.463 -9.843 1.00 0.00 H new ATOM 197 N PRO A 16 -11.218 -5.620 -9.237 1.00 0.00 N ATOM 198 CA PRO A 16 -9.925 -5.142 -9.735 1.00 0.00 C ATOM 199 C PRO A 16 -9.605 -5.678 -11.126 1.00 0.00 C ATOM 200 O PRO A 16 -10.344 -6.498 -11.672 1.00 0.00 O ATOM 201 CB PRO A 16 -8.927 -5.685 -8.710 1.00 0.00 C ATOM 202 CG PRO A 16 -9.596 -6.882 -8.128 1.00 0.00 C ATOM 203 CD PRO A 16 -11.068 -6.574 -8.125 1.00 0.00 C ATOM 0 HA PRO A 16 -9.904 -4.057 -9.837 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.980 -5.950 -9.181 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.704 -4.943 -7.943 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.385 -7.773 -8.719 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.236 -7.077 -7.118 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.667 -7.471 -8.281 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.386 -6.140 -7.177 1.00 0.00 H new ATOM 211 N LYS A 17 -8.499 -5.212 -11.696 1.00 0.00 N ATOM 212 CA LYS A 17 -8.079 -5.645 -13.023 1.00 0.00 C ATOM 213 C LYS A 17 -6.559 -5.616 -13.149 1.00 0.00 C ATOM 214 O LYS A 17 -5.880 -4.888 -12.425 1.00 0.00 O ATOM 215 CB LYS A 17 -8.708 -4.754 -14.096 1.00 0.00 C ATOM 216 CG LYS A 17 -10.215 -4.614 -13.963 1.00 0.00 C ATOM 217 CD LYS A 17 -10.766 -3.582 -14.933 1.00 0.00 C ATOM 218 CE LYS A 17 -12.207 -3.886 -15.312 1.00 0.00 C ATOM 219 NZ LYS A 17 -12.668 -3.053 -16.456 1.00 0.00 N ATOM 0 H LYS A 17 -7.876 -4.533 -11.258 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.418 -6.671 -13.167 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.254 -3.764 -14.047 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.475 -5.163 -15.079 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.689 -5.578 -14.148 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.466 -4.326 -12.942 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.709 -2.591 -14.483 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.149 -3.560 -15.832 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.299 -4.941 -15.571 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.853 -3.711 -14.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.655 -3.291 -16.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.604 -2.047 -16.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.068 -3.239 -17.285 1.00 0.00 H new ATOM 233 N CYS A 18 -6.032 -6.410 -14.075 1.00 0.00 N ATOM 234 CA CYS A 18 -4.592 -6.475 -14.297 1.00 0.00 C ATOM 235 C CYS A 18 -4.028 -5.092 -14.611 1.00 0.00 C ATOM 236 O CYS A 18 -4.629 -4.319 -15.355 1.00 0.00 O ATOM 237 CB CYS A 18 -4.275 -7.439 -15.442 1.00 0.00 C ATOM 238 SG CYS A 18 -2.705 -7.088 -16.297 1.00 0.00 S ATOM 0 H CYS A 18 -6.580 -7.017 -14.684 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.124 -6.840 -13.383 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.243 -8.455 -15.049 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.087 -7.404 -16.168 1.00 0.00 H new ATOM 243 N GLY A 19 -2.868 -4.789 -14.037 1.00 0.00 N ATOM 244 CA GLY A 19 -2.241 -3.500 -14.266 1.00 0.00 C ATOM 245 C GLY A 19 -1.511 -3.439 -15.594 1.00 0.00 C ATOM 246 O GLY A 19 -0.452 -2.822 -15.700 1.00 0.00 O ATOM 0 H GLY A 19 -2.351 -5.413 -13.417 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.001 -2.719 -14.236 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.539 -3.292 -13.459 1.00 0.00 H new ATOM 250 N GLY A 20 -2.079 -4.082 -16.610 1.00 0.00 N ATOM 251 CA GLY A 20 -1.461 -4.087 -17.923 1.00 0.00 C ATOM 252 C GLY A 20 -2.480 -4.142 -19.043 1.00 0.00 C ATOM 253 O GLY A 20 -2.355 -3.432 -20.042 1.00 0.00 O ATOM 0 H GLY A 20 -2.956 -4.599 -16.547 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.849 -3.192 -18.036 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.791 -4.943 -18.003 1.00 0.00 H new ATOM 257 N CYS A 21 -3.491 -4.989 -18.880 1.00 0.00 N ATOM 258 CA CYS A 21 -4.535 -5.137 -19.887 1.00 0.00 C ATOM 259 C CYS A 21 -5.845 -4.518 -19.407 1.00 0.00 C ATOM 260 O CYS A 21 -6.748 -4.259 -20.200 1.00 0.00 O ATOM 261 CB CYS A 21 -4.748 -6.616 -20.217 1.00 0.00 C ATOM 262 SG CYS A 21 -3.215 -7.599 -20.245 1.00 0.00 S ATOM 0 H CYS A 21 -3.609 -5.584 -18.060 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.214 -4.613 -20.787 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.430 -7.046 -19.484 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.235 -6.694 -21.189 1.00 0.00 H new ATOM 267 N ASN A 22 -5.939 -4.284 -18.102 1.00 0.00 N ATOM 268 CA ASN A 22 -7.138 -3.696 -17.515 1.00 0.00 C ATOM 269 C ASN A 22 -8.320 -4.655 -17.617 1.00 0.00 C ATOM 270 O ASN A 22 -9.447 -4.241 -17.888 1.00 0.00 O ATOM 271 CB ASN A 22 -7.476 -2.376 -18.211 1.00 0.00 C ATOM 272 CG ASN A 22 -8.587 -1.620 -17.508 1.00 0.00 C ATOM 273 OD1 ASN A 22 -8.626 -1.554 -16.279 1.00 0.00 O ATOM 274 ND2 ASN A 22 -9.497 -1.046 -18.286 1.00 0.00 N ATOM 0 H ASN A 22 -5.200 -4.492 -17.431 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.940 -3.503 -16.461 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.584 -1.751 -18.252 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.772 -2.577 -19.241 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.268 -0.524 -17.869 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.425 -1.127 -19.300 1.00 0.00 H new ATOM 281 N ARG A 23 -8.054 -5.939 -17.397 1.00 0.00 N ATOM 282 CA ARG A 23 -9.095 -6.957 -17.464 1.00 0.00 C ATOM 283 C ARG A 23 -9.413 -7.503 -16.075 1.00 0.00 C ATOM 284 O ARG A 23 -8.567 -7.522 -15.181 1.00 0.00 O ATOM 285 CB ARG A 23 -8.662 -8.099 -18.386 1.00 0.00 C ATOM 286 CG ARG A 23 -9.056 -7.892 -19.839 1.00 0.00 C ATOM 287 CD ARG A 23 -9.301 -9.217 -20.544 1.00 0.00 C ATOM 288 NE ARG A 23 -10.359 -9.992 -19.901 1.00 0.00 N ATOM 289 CZ ARG A 23 -11.650 -9.695 -19.998 1.00 0.00 C ATOM 290 NH1 ARG A 23 -12.041 -8.647 -20.708 1.00 0.00 N ATOM 291 NH2 ARG A 23 -12.553 -10.449 -19.383 1.00 0.00 N ATOM 0 H ARG A 23 -7.127 -6.298 -17.171 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.995 -6.494 -17.868 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.580 -8.214 -18.325 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.102 -9.030 -18.028 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.957 -7.280 -19.889 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.269 -7.344 -20.356 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.569 -9.030 -21.584 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.379 -9.799 -20.552 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.092 -10.806 -19.347 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.350 -8.066 -21.182 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.033 -8.422 -20.781 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.256 -11.257 -18.836 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.544 -10.221 -19.458 1.00 0.00 H new ATOM 305 N PRO A 24 -10.661 -7.956 -15.889 1.00 0.00 N ATOM 306 CA PRO A 24 -11.120 -8.510 -14.611 1.00 0.00 C ATOM 307 C PRO A 24 -10.478 -9.858 -14.301 1.00 0.00 C ATOM 308 O PRO A 24 -10.873 -10.887 -14.850 1.00 0.00 O ATOM 309 CB PRO A 24 -12.628 -8.670 -14.815 1.00 0.00 C ATOM 310 CG PRO A 24 -12.799 -8.808 -16.288 1.00 0.00 C ATOM 311 CD PRO A 24 -11.721 -7.964 -16.911 1.00 0.00 C ATOM 0 HA PRO A 24 -10.856 -7.869 -13.770 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.008 -9.546 -14.289 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.173 -7.807 -14.432 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.706 -9.849 -16.596 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.788 -8.471 -16.599 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.370 -8.390 -17.851 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.075 -6.957 -17.130 1.00 0.00 H new ATOM 319 N VAL A 25 -9.486 -9.847 -13.416 1.00 0.00 N ATOM 320 CA VAL A 25 -8.791 -11.069 -13.031 1.00 0.00 C ATOM 321 C VAL A 25 -9.533 -11.795 -11.914 1.00 0.00 C ATOM 322 O VAL A 25 -9.903 -11.192 -10.906 1.00 0.00 O ATOM 323 CB VAL A 25 -7.352 -10.774 -12.569 1.00 0.00 C ATOM 324 CG1 VAL A 25 -6.429 -10.613 -13.767 1.00 0.00 C ATOM 325 CG2 VAL A 25 -7.319 -9.534 -11.688 1.00 0.00 C ATOM 0 H VAL A 25 -9.146 -9.005 -12.952 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.758 -11.706 -13.915 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.997 -11.619 -11.979 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.417 -10.405 -13.421 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.430 -11.532 -14.353 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.778 -9.787 -14.386 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.294 -9.340 -11.371 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.693 -8.678 -12.250 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.946 -9.694 -10.811 1.00 0.00 H new ATOM 335 N LEU A 26 -9.747 -13.093 -12.100 1.00 0.00 N ATOM 336 CA LEU A 26 -10.445 -13.903 -11.107 1.00 0.00 C ATOM 337 C LEU A 26 -9.656 -15.168 -10.784 1.00 0.00 C ATOM 338 O LEU A 26 -9.354 -15.442 -9.624 1.00 0.00 O ATOM 339 CB LEU A 26 -11.841 -14.273 -11.612 1.00 0.00 C ATOM 340 CG LEU A 26 -12.699 -13.115 -12.122 1.00 0.00 C ATOM 341 CD1 LEU A 26 -13.852 -13.637 -12.966 1.00 0.00 C ATOM 342 CD2 LEU A 26 -13.221 -12.285 -10.959 1.00 0.00 C ATOM 0 H LEU A 26 -9.448 -13.607 -12.929 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.540 -13.314 -10.195 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.733 -15.001 -12.416 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.378 -14.768 -10.803 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.077 -12.475 -12.748 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.452 -12.799 -13.320 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.458 -14.188 -13.820 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.474 -14.299 -12.363 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.830 -11.465 -11.341 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.827 -12.914 -10.307 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.381 -11.880 -10.395 1.00 0.00 H new ATOM 354 N GLU A 27 -9.325 -15.933 -11.820 1.00 0.00 N ATOM 355 CA GLU A 27 -8.570 -17.168 -11.645 1.00 0.00 C ATOM 356 C GLU A 27 -7.111 -16.975 -12.049 1.00 0.00 C ATOM 357 O GLU A 27 -6.815 -16.351 -13.068 1.00 0.00 O ATOM 358 CB GLU A 27 -9.194 -18.294 -12.471 1.00 0.00 C ATOM 359 CG GLU A 27 -9.454 -17.916 -13.919 1.00 0.00 C ATOM 360 CD GLU A 27 -9.833 -19.109 -14.775 1.00 0.00 C ATOM 361 OE1 GLU A 27 -9.238 -20.190 -14.584 1.00 0.00 O ATOM 362 OE2 GLU A 27 -10.725 -18.961 -15.636 1.00 0.00 O ATOM 0 H GLU A 27 -9.567 -15.719 -12.787 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.604 -17.439 -10.590 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.534 -19.161 -12.444 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.134 -18.594 -12.008 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.253 -17.176 -13.959 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.563 -17.445 -14.333 1.00 0.00 H new ATOM 369 N ASN A 28 -6.203 -17.515 -11.242 1.00 0.00 N ATOM 370 CA ASN A 28 -4.775 -17.402 -11.514 1.00 0.00 C ATOM 371 C ASN A 28 -4.355 -15.939 -11.616 1.00 0.00 C ATOM 372 O ASN A 28 -3.732 -15.528 -12.595 1.00 0.00 O ATOM 373 CB ASN A 28 -4.421 -18.137 -12.808 1.00 0.00 C ATOM 374 CG ASN A 28 -5.107 -19.486 -12.913 1.00 0.00 C ATOM 375 OD1 ASN A 28 -6.009 -19.674 -13.729 1.00 0.00 O ATOM 376 ND2 ASN A 28 -4.681 -20.432 -12.085 1.00 0.00 N ATOM 0 H ASN A 28 -6.431 -18.035 -10.395 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.235 -17.860 -10.685 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.704 -17.521 -13.662 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.341 -18.277 -12.860 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.105 -21.360 -12.109 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.930 -20.231 -11.425 1.00 0.00 H new ATOM 383 N TYR A 29 -4.699 -15.158 -10.598 1.00 0.00 N ATOM 384 CA TYR A 29 -4.359 -13.740 -10.574 1.00 0.00 C ATOM 385 C TYR A 29 -3.385 -13.433 -9.440 1.00 0.00 C ATOM 386 O TYR A 29 -3.363 -14.123 -8.420 1.00 0.00 O ATOM 387 CB TYR A 29 -5.624 -12.894 -10.417 1.00 0.00 C ATOM 388 CG TYR A 29 -6.175 -12.883 -9.009 1.00 0.00 C ATOM 389 CD1 TYR A 29 -7.053 -13.870 -8.578 1.00 0.00 C ATOM 390 CD2 TYR A 29 -5.819 -11.886 -8.110 1.00 0.00 C ATOM 391 CE1 TYR A 29 -7.560 -13.864 -7.293 1.00 0.00 C ATOM 392 CE2 TYR A 29 -6.319 -11.873 -6.823 1.00 0.00 C ATOM 393 CZ TYR A 29 -7.189 -12.864 -6.419 1.00 0.00 C ATOM 394 OH TYR A 29 -7.691 -12.853 -5.138 1.00 0.00 O ATOM 0 H TYR A 29 -5.213 -15.483 -9.779 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.878 -13.491 -11.520 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.406 -11.870 -10.721 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.390 -13.271 -11.095 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.344 -14.656 -9.260 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.139 -11.107 -8.423 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.243 -14.638 -6.975 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.030 -11.091 -6.136 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.330 -12.083 -4.652 1.00 0.00 H new ATOM 404 N LEU A 30 -2.580 -12.393 -9.627 1.00 0.00 N ATOM 405 CA LEU A 30 -1.603 -11.992 -8.621 1.00 0.00 C ATOM 406 C LEU A 30 -2.049 -10.722 -7.904 1.00 0.00 C ATOM 407 O LEU A 30 -2.989 -10.052 -8.333 1.00 0.00 O ATOM 408 CB LEU A 30 -0.235 -11.771 -9.270 1.00 0.00 C ATOM 409 CG LEU A 30 0.145 -12.747 -10.383 1.00 0.00 C ATOM 410 CD1 LEU A 30 -0.485 -12.325 -11.702 1.00 0.00 C ATOM 411 CD2 LEU A 30 1.658 -12.839 -10.518 1.00 0.00 C ATOM 0 H LEU A 30 -2.585 -11.812 -10.466 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.525 -12.793 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.207 -10.760 -9.676 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.527 -11.824 -8.492 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.237 -13.734 -10.121 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.203 -13.032 -12.482 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.570 -12.312 -11.599 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.134 -11.329 -11.971 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.910 -13.538 -11.315 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.062 -11.855 -10.757 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.086 -13.189 -9.579 1.00 0.00 H new ATOM 423 N SER A 31 -1.368 -10.395 -6.810 1.00 0.00 N ATOM 424 CA SER A 31 -1.696 -9.206 -6.032 1.00 0.00 C ATOM 425 C SER A 31 -0.433 -8.435 -5.660 1.00 0.00 C ATOM 426 O SER A 31 0.243 -8.763 -4.686 1.00 0.00 O ATOM 427 CB SER A 31 -2.461 -9.595 -4.766 1.00 0.00 C ATOM 428 OG SER A 31 -3.859 -9.605 -4.998 1.00 0.00 O ATOM 0 H SER A 31 -0.586 -10.937 -6.443 1.00 0.00 H new ATOM 0 HA SER A 31 -2.326 -8.562 -6.646 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.138 -10.580 -4.430 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.227 -8.893 -3.966 1.00 0.00 H new ATOM 0 HG SER A 31 -4.326 -9.858 -4.174 1.00 0.00 H new ATOM 434 N ALA A 32 -0.121 -7.409 -6.445 1.00 0.00 N ATOM 435 CA ALA A 32 1.059 -6.590 -6.198 1.00 0.00 C ATOM 436 C ALA A 32 0.716 -5.105 -6.247 1.00 0.00 C ATOM 437 O ALA A 32 -0.296 -4.711 -6.826 1.00 0.00 O ATOM 438 CB ALA A 32 2.148 -6.915 -7.209 1.00 0.00 C ATOM 0 H ALA A 32 -0.669 -7.125 -7.257 1.00 0.00 H new ATOM 0 HA ALA A 32 1.427 -6.819 -5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.023 -6.296 -7.013 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.421 -7.967 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.781 -6.715 -8.216 1.00 0.00 H new ATOM 444 N MET A 33 1.566 -4.285 -5.636 1.00 0.00 N ATOM 445 CA MET A 33 1.352 -2.843 -5.612 1.00 0.00 C ATOM 446 C MET A 33 -0.076 -2.512 -5.187 1.00 0.00 C ATOM 447 O MET A 33 -0.713 -1.626 -5.756 1.00 0.00 O ATOM 448 CB MET A 33 1.639 -2.239 -6.988 1.00 0.00 C ATOM 449 CG MET A 33 3.055 -2.496 -7.480 1.00 0.00 C ATOM 450 SD MET A 33 3.413 -1.655 -9.034 1.00 0.00 S ATOM 451 CE MET A 33 5.007 -2.362 -9.442 1.00 0.00 C ATOM 0 H MET A 33 2.408 -4.595 -5.152 1.00 0.00 H new ATOM 0 HA MET A 33 2.039 -2.412 -4.884 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.932 -2.648 -7.710 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.467 -1.163 -6.947 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.765 -2.167 -6.721 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.202 -3.568 -7.609 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.599 -1.631 -9.993 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.530 -2.635 -8.525 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.864 -3.251 -10.056 1.00 0.00 H new ATOM 461 N ASP A 34 -0.571 -3.230 -4.185 1.00 0.00 N ATOM 462 CA ASP A 34 -1.923 -3.012 -3.683 1.00 0.00 C ATOM 463 C ASP A 34 -2.951 -3.187 -4.797 1.00 0.00 C ATOM 464 O ASP A 34 -4.047 -2.629 -4.740 1.00 0.00 O ATOM 465 CB ASP A 34 -2.045 -1.613 -3.076 1.00 0.00 C ATOM 466 CG ASP A 34 -3.448 -1.316 -2.585 1.00 0.00 C ATOM 467 OD1 ASP A 34 -3.838 -1.866 -1.534 1.00 0.00 O ATOM 468 OD2 ASP A 34 -4.158 -0.534 -3.252 1.00 0.00 O ATOM 0 H ASP A 34 -0.057 -3.968 -3.704 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.121 -3.754 -2.910 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.345 -1.518 -2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.759 -0.871 -3.821 1.00 0.00 H new ATOM 473 N THR A 35 -2.588 -3.966 -5.812 1.00 0.00 N ATOM 474 CA THR A 35 -3.477 -4.213 -6.941 1.00 0.00 C ATOM 475 C THR A 35 -3.309 -5.632 -7.472 1.00 0.00 C ATOM 476 O THR A 35 -2.510 -6.411 -6.951 1.00 0.00 O ATOM 477 CB THR A 35 -3.223 -3.215 -8.086 1.00 0.00 C ATOM 478 OG1 THR A 35 -4.343 -3.197 -8.978 1.00 0.00 O ATOM 479 CG2 THR A 35 -1.962 -3.583 -8.854 1.00 0.00 C ATOM 0 H THR A 35 -1.685 -4.436 -5.875 1.00 0.00 H new ATOM 0 HA THR A 35 -4.496 -4.082 -6.575 1.00 0.00 H new ATOM 0 HB THR A 35 -3.089 -2.224 -7.652 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.174 -2.559 -9.702 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.803 -2.864 -9.658 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.107 -3.567 -8.178 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.072 -4.582 -9.277 1.00 0.00 H new ATOM 487 N VAL A 36 -4.067 -5.963 -8.513 1.00 0.00 N ATOM 488 CA VAL A 36 -4.000 -7.289 -9.117 1.00 0.00 C ATOM 489 C VAL A 36 -3.263 -7.249 -10.451 1.00 0.00 C ATOM 490 O VAL A 36 -3.148 -6.195 -11.076 1.00 0.00 O ATOM 491 CB VAL A 36 -5.407 -7.876 -9.337 1.00 0.00 C ATOM 492 CG1 VAL A 36 -6.153 -7.984 -8.016 1.00 0.00 C ATOM 493 CG2 VAL A 36 -6.187 -7.031 -10.333 1.00 0.00 C ATOM 0 H VAL A 36 -4.734 -5.331 -8.956 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.453 -7.926 -8.423 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.303 -8.879 -9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.145 -8.401 -8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.601 -8.635 -7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.249 -6.994 -7.570 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.179 -7.460 -10.476 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.283 -6.015 -9.951 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.659 -7.012 -11.286 1.00 0.00 H new ATOM 503 N TRP A 37 -2.768 -8.403 -10.881 1.00 0.00 N ATOM 504 CA TRP A 37 -2.042 -8.500 -12.142 1.00 0.00 C ATOM 505 C TRP A 37 -2.276 -9.855 -12.802 1.00 0.00 C ATOM 506 O TRP A 37 -2.991 -10.702 -12.266 1.00 0.00 O ATOM 507 CB TRP A 37 -0.545 -8.284 -11.911 1.00 0.00 C ATOM 508 CG TRP A 37 -0.222 -6.941 -11.329 1.00 0.00 C ATOM 509 CD1 TRP A 37 -0.294 -6.579 -10.014 1.00 0.00 C ATOM 510 CD2 TRP A 37 0.221 -5.782 -12.043 1.00 0.00 C ATOM 511 NE1 TRP A 37 0.078 -5.264 -9.868 1.00 0.00 N ATOM 512 CE2 TRP A 37 0.400 -4.753 -11.097 1.00 0.00 C ATOM 513 CE3 TRP A 37 0.486 -5.513 -13.388 1.00 0.00 C ATOM 514 CZ2 TRP A 37 0.830 -3.479 -11.456 1.00 0.00 C ATOM 515 CZ3 TRP A 37 0.913 -4.247 -13.743 1.00 0.00 C ATOM 516 CH2 TRP A 37 1.082 -3.243 -12.781 1.00 0.00 C ATOM 0 H TRP A 37 -2.856 -9.285 -10.376 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.416 -7.722 -12.808 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.172 -9.061 -11.243 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.018 -8.398 -12.858 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.598 -7.230 -9.208 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.109 -4.752 -8.987 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.360 -6.281 -14.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.960 -2.704 -10.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.120 -4.028 -14.780 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.417 -2.264 -13.090 1.00 0.00 H new ATOM 527 N HIS A 38 -1.670 -10.053 -13.968 1.00 0.00 N ATOM 528 CA HIS A 38 -1.813 -11.306 -14.701 1.00 0.00 C ATOM 529 C HIS A 38 -0.526 -12.123 -14.636 1.00 0.00 C ATOM 530 O HIS A 38 0.581 -11.587 -14.685 1.00 0.00 O ATOM 531 CB HIS A 38 -2.182 -11.030 -16.159 1.00 0.00 C ATOM 532 CG HIS A 38 -3.659 -10.986 -16.405 1.00 0.00 C ATOM 533 ND1 HIS A 38 -4.255 -10.070 -17.246 1.00 0.00 N ATOM 534 CD2 HIS A 38 -4.661 -11.753 -15.915 1.00 0.00 C ATOM 535 CE1 HIS A 38 -5.560 -10.274 -17.262 1.00 0.00 C ATOM 536 NE2 HIS A 38 -5.832 -11.290 -16.463 1.00 0.00 N ATOM 0 H HIS A 38 -1.075 -9.362 -14.426 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.613 -11.882 -14.235 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.743 -10.080 -16.463 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.740 -11.801 -16.789 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.559 -12.575 -15.222 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.282 -9.707 -17.831 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.761 -11.669 -16.282 1.00 0.00 H new ATOM 544 N PRO A 39 -0.673 -13.451 -14.522 1.00 0.00 N ATOM 545 CA PRO A 39 0.467 -14.370 -14.447 1.00 0.00 C ATOM 546 C PRO A 39 1.220 -14.468 -15.770 1.00 0.00 C ATOM 547 O PRO A 39 2.109 -15.305 -15.927 1.00 0.00 O ATOM 548 CB PRO A 39 -0.182 -15.713 -14.101 1.00 0.00 C ATOM 549 CG PRO A 39 -1.576 -15.603 -14.615 1.00 0.00 C ATOM 550 CD PRO A 39 -1.963 -14.159 -14.458 1.00 0.00 C ATOM 0 HA PRO A 39 1.210 -14.040 -13.720 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.349 -16.542 -14.570 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.169 -15.894 -13.026 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.632 -15.911 -15.659 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.251 -16.251 -14.055 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.639 -13.836 -15.250 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.473 -13.980 -13.511 1.00 0.00 H new ATOM 558 N GLU A 40 0.860 -13.607 -16.716 1.00 0.00 N ATOM 559 CA GLU A 40 1.502 -13.598 -18.025 1.00 0.00 C ATOM 560 C GLU A 40 2.017 -12.204 -18.369 1.00 0.00 C ATOM 561 O GLU A 40 3.009 -12.054 -19.084 1.00 0.00 O ATOM 562 CB GLU A 40 0.524 -14.072 -19.102 1.00 0.00 C ATOM 563 CG GLU A 40 -0.671 -13.152 -19.286 1.00 0.00 C ATOM 564 CD GLU A 40 -1.838 -13.841 -19.966 1.00 0.00 C ATOM 565 OE1 GLU A 40 -2.396 -14.788 -19.371 1.00 0.00 O ATOM 566 OE2 GLU A 40 -2.194 -13.435 -21.091 1.00 0.00 O ATOM 0 H GLU A 40 0.127 -12.907 -16.601 1.00 0.00 H new ATOM 0 HA GLU A 40 2.350 -14.282 -17.989 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.055 -14.158 -20.050 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.168 -15.069 -18.844 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.991 -12.779 -18.313 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.371 -12.286 -19.876 1.00 0.00 H new ATOM 573 N CYS A 41 1.337 -11.185 -17.854 1.00 0.00 N ATOM 574 CA CYS A 41 1.723 -9.802 -18.106 1.00 0.00 C ATOM 575 C CYS A 41 2.730 -9.320 -17.066 1.00 0.00 C ATOM 576 O CYS A 41 3.726 -8.679 -17.400 1.00 0.00 O ATOM 577 CB CYS A 41 0.490 -8.896 -18.097 1.00 0.00 C ATOM 578 SG CYS A 41 -0.978 -9.631 -18.887 1.00 0.00 S ATOM 0 H CYS A 41 0.515 -11.291 -17.259 1.00 0.00 H new ATOM 0 HA CYS A 41 2.192 -9.756 -19.089 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.246 -8.643 -17.065 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.734 -7.963 -18.605 1.00 0.00 H new ATOM 583 N PHE A 42 2.462 -9.633 -15.802 1.00 0.00 N ATOM 584 CA PHE A 42 3.343 -9.232 -14.712 1.00 0.00 C ATOM 585 C PHE A 42 4.797 -9.559 -15.039 1.00 0.00 C ATOM 586 O PHE A 42 5.270 -10.666 -14.780 1.00 0.00 O ATOM 587 CB PHE A 42 2.932 -9.928 -13.413 1.00 0.00 C ATOM 588 CG PHE A 42 3.425 -9.231 -12.177 1.00 0.00 C ATOM 589 CD1 PHE A 42 3.190 -7.879 -11.988 1.00 0.00 C ATOM 590 CD2 PHE A 42 4.123 -9.929 -11.204 1.00 0.00 C ATOM 591 CE1 PHE A 42 3.643 -7.235 -10.852 1.00 0.00 C ATOM 592 CE2 PHE A 42 4.578 -9.291 -10.066 1.00 0.00 C ATOM 593 CZ PHE A 42 4.337 -7.942 -9.889 1.00 0.00 C ATOM 0 H PHE A 42 1.642 -10.163 -15.508 1.00 0.00 H new ATOM 0 HA PHE A 42 3.252 -8.154 -14.583 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.845 -9.994 -13.374 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.313 -10.949 -13.421 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.647 -7.322 -12.737 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.313 -10.984 -11.337 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.455 -6.180 -10.717 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.121 -9.846 -9.316 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.690 -7.441 -9.000 1.00 0.00 H new ATOM 603 N VAL A 43 5.502 -8.588 -15.611 1.00 0.00 N ATOM 604 CA VAL A 43 6.902 -8.771 -15.974 1.00 0.00 C ATOM 605 C VAL A 43 7.649 -7.442 -15.968 1.00 0.00 C ATOM 606 O VAL A 43 7.039 -6.374 -15.919 1.00 0.00 O ATOM 607 CB VAL A 43 7.041 -9.420 -17.363 1.00 0.00 C ATOM 608 CG1 VAL A 43 6.294 -10.744 -17.412 1.00 0.00 C ATOM 609 CG2 VAL A 43 6.540 -8.476 -18.445 1.00 0.00 C ATOM 0 H VAL A 43 5.126 -7.666 -15.833 1.00 0.00 H new ATOM 0 HA VAL A 43 7.339 -9.433 -15.227 1.00 0.00 H new ATOM 0 HB VAL A 43 8.097 -9.619 -17.547 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.404 -11.187 -18.402 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.705 -11.421 -16.663 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.237 -10.573 -17.206 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.646 -8.951 -19.420 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.490 -8.243 -18.267 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.124 -7.556 -18.424 1.00 0.00 H new ATOM 619 N CYS A 44 8.975 -7.515 -16.020 1.00 0.00 N ATOM 620 CA CYS A 44 9.808 -6.319 -16.021 1.00 0.00 C ATOM 621 C CYS A 44 9.381 -5.360 -17.129 1.00 0.00 C ATOM 622 O CYS A 44 8.654 -5.739 -18.046 1.00 0.00 O ATOM 623 CB CYS A 44 11.280 -6.697 -16.197 1.00 0.00 C ATOM 624 SG CYS A 44 12.436 -5.307 -15.972 1.00 0.00 S ATOM 0 H CYS A 44 9.496 -8.391 -16.062 1.00 0.00 H new ATOM 0 HA CYS A 44 9.681 -5.817 -15.062 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.530 -7.483 -15.484 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.420 -7.115 -17.194 1.00 0.00 H new ATOM 629 N GLY A 45 9.840 -4.115 -17.037 1.00 0.00 N ATOM 630 CA GLY A 45 9.496 -3.122 -18.037 1.00 0.00 C ATOM 631 C GLY A 45 10.573 -2.963 -19.091 1.00 0.00 C ATOM 632 O GLY A 45 10.314 -2.455 -20.182 1.00 0.00 O ATOM 0 H GLY A 45 10.444 -3.777 -16.288 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.560 -3.405 -18.518 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.326 -2.163 -17.548 1.00 0.00 H new ATOM 636 N ASP A 46 11.786 -3.398 -18.766 1.00 0.00 N ATOM 637 CA ASP A 46 12.907 -3.301 -19.693 1.00 0.00 C ATOM 638 C ASP A 46 13.172 -4.644 -20.367 1.00 0.00 C ATOM 639 O ASP A 46 13.024 -4.780 -21.582 1.00 0.00 O ATOM 640 CB ASP A 46 14.163 -2.828 -18.959 1.00 0.00 C ATOM 641 CG ASP A 46 14.115 -1.350 -18.623 1.00 0.00 C ATOM 642 OD1 ASP A 46 13.032 -0.866 -18.231 1.00 0.00 O ATOM 643 OD2 ASP A 46 15.160 -0.679 -18.750 1.00 0.00 O ATOM 0 H ASP A 46 12.018 -3.821 -17.867 1.00 0.00 H new ATOM 0 HA ASP A 46 12.649 -2.573 -20.462 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.282 -3.403 -18.041 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.039 -3.029 -19.576 1.00 0.00 H new ATOM 648 N CYS A 47 13.567 -5.632 -19.571 1.00 0.00 N ATOM 649 CA CYS A 47 13.854 -6.964 -20.090 1.00 0.00 C ATOM 650 C CYS A 47 12.568 -7.760 -20.288 1.00 0.00 C ATOM 651 O CYS A 47 12.557 -8.784 -20.972 1.00 0.00 O ATOM 652 CB CYS A 47 14.789 -7.713 -19.139 1.00 0.00 C ATOM 653 SG CYS A 47 14.091 -7.998 -17.480 1.00 0.00 S ATOM 0 H CYS A 47 13.696 -5.535 -18.564 1.00 0.00 H new ATOM 0 HA CYS A 47 14.343 -6.852 -21.058 1.00 0.00 H new ATOM 0 HB2 CYS A 47 15.047 -8.675 -19.583 1.00 0.00 H new ATOM 0 HB3 CYS A 47 15.716 -7.149 -19.039 1.00 0.00 H new ATOM 658 N PHE A 48 11.484 -7.282 -19.686 1.00 0.00 N ATOM 659 CA PHE A 48 10.192 -7.949 -19.795 1.00 0.00 C ATOM 660 C PHE A 48 10.300 -9.416 -19.389 1.00 0.00 C ATOM 661 O PHE A 48 9.827 -10.306 -20.096 1.00 0.00 O ATOM 662 CB PHE A 48 9.658 -7.843 -21.225 1.00 0.00 C ATOM 663 CG PHE A 48 8.966 -6.541 -21.512 1.00 0.00 C ATOM 664 CD1 PHE A 48 9.679 -5.453 -21.990 1.00 0.00 C ATOM 665 CD2 PHE A 48 7.604 -6.405 -21.302 1.00 0.00 C ATOM 666 CE1 PHE A 48 9.045 -4.253 -22.255 1.00 0.00 C ATOM 667 CE2 PHE A 48 6.964 -5.208 -21.566 1.00 0.00 C ATOM 668 CZ PHE A 48 7.686 -4.131 -22.041 1.00 0.00 C ATOM 0 H PHE A 48 11.475 -6.435 -19.118 1.00 0.00 H new ATOM 0 HA PHE A 48 9.498 -7.453 -19.117 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.486 -7.967 -21.923 1.00 0.00 H new ATOM 0 HB3 PHE A 48 8.963 -8.662 -21.406 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.742 -5.543 -22.157 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.035 -7.243 -20.928 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.611 -3.413 -22.629 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.901 -5.116 -21.401 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.189 -3.194 -22.245 1.00 0.00 H new ATOM 678 N THR A 49 10.929 -9.661 -18.243 1.00 0.00 N ATOM 679 CA THR A 49 11.102 -11.019 -17.742 1.00 0.00 C ATOM 680 C THR A 49 10.088 -11.335 -16.649 1.00 0.00 C ATOM 681 O THR A 49 9.621 -10.441 -15.944 1.00 0.00 O ATOM 682 CB THR A 49 12.522 -11.236 -17.187 1.00 0.00 C ATOM 683 OG1 THR A 49 12.735 -12.626 -16.914 1.00 0.00 O ATOM 684 CG2 THR A 49 12.737 -10.426 -15.918 1.00 0.00 C ATOM 0 H THR A 49 11.327 -8.937 -17.645 1.00 0.00 H new ATOM 0 HA THR A 49 10.943 -11.690 -18.586 1.00 0.00 H new ATOM 0 HB THR A 49 13.237 -10.900 -17.939 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.641 -12.755 -16.563 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.747 -10.596 -15.545 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.604 -9.366 -16.136 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.014 -10.735 -15.163 1.00 0.00 H new ATOM 692 N SER A 50 9.751 -12.614 -16.512 1.00 0.00 N ATOM 693 CA SER A 50 8.789 -13.048 -15.505 1.00 0.00 C ATOM 694 C SER A 50 9.336 -12.822 -14.099 1.00 0.00 C ATOM 695 O SER A 50 10.537 -12.628 -13.911 1.00 0.00 O ATOM 696 CB SER A 50 8.447 -14.526 -15.701 1.00 0.00 C ATOM 697 OG SER A 50 7.242 -14.863 -15.035 1.00 0.00 O ATOM 0 H SER A 50 10.130 -13.368 -17.086 1.00 0.00 H new ATOM 0 HA SER A 50 7.883 -12.454 -15.623 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.351 -14.742 -16.765 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.261 -15.144 -15.322 1.00 0.00 H new ATOM 0 HG SER A 50 7.044 -15.812 -15.177 1.00 0.00 H new ATOM 703 N PHE A 51 8.445 -12.849 -13.114 1.00 0.00 N ATOM 704 CA PHE A 51 8.836 -12.647 -11.723 1.00 0.00 C ATOM 705 C PHE A 51 8.389 -13.820 -10.856 1.00 0.00 C ATOM 706 O PHE A 51 7.907 -13.632 -9.739 1.00 0.00 O ATOM 707 CB PHE A 51 8.237 -11.345 -11.187 1.00 0.00 C ATOM 708 CG PHE A 51 8.800 -10.114 -11.838 1.00 0.00 C ATOM 709 CD1 PHE A 51 10.163 -9.866 -11.820 1.00 0.00 C ATOM 710 CD2 PHE A 51 7.966 -9.204 -12.468 1.00 0.00 C ATOM 711 CE1 PHE A 51 10.684 -8.734 -12.418 1.00 0.00 C ATOM 712 CE2 PHE A 51 8.481 -8.071 -13.068 1.00 0.00 C ATOM 713 CZ PHE A 51 9.842 -7.835 -13.042 1.00 0.00 C ATOM 0 H PHE A 51 7.447 -13.009 -13.253 1.00 0.00 H new ATOM 0 HA PHE A 51 9.923 -12.583 -11.683 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.157 -11.363 -11.335 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.411 -11.290 -10.112 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.826 -10.565 -11.333 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.901 -9.383 -12.490 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.748 -8.553 -12.397 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.820 -7.370 -13.557 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.247 -6.949 -13.509 1.00 0.00 H new ATOM 723 N SER A 52 8.552 -15.031 -11.380 1.00 0.00 N ATOM 724 CA SER A 52 8.162 -16.236 -10.656 1.00 0.00 C ATOM 725 C SER A 52 9.385 -16.947 -10.086 1.00 0.00 C ATOM 726 O SER A 52 9.362 -17.439 -8.957 1.00 0.00 O ATOM 727 CB SER A 52 7.391 -17.182 -11.578 1.00 0.00 C ATOM 728 OG SER A 52 8.200 -17.612 -12.659 1.00 0.00 O ATOM 0 H SER A 52 8.951 -15.204 -12.303 1.00 0.00 H new ATOM 0 HA SER A 52 7.517 -15.941 -9.828 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.046 -18.047 -11.011 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.504 -16.678 -11.962 1.00 0.00 H new ATOM 0 HG SER A 52 7.685 -18.217 -13.233 1.00 0.00 H new ATOM 734 N THR A 53 10.454 -16.997 -10.874 1.00 0.00 N ATOM 735 CA THR A 53 11.687 -17.649 -10.450 1.00 0.00 C ATOM 736 C THR A 53 12.054 -17.255 -9.024 1.00 0.00 C ATOM 737 O THR A 53 12.367 -18.108 -8.195 1.00 0.00 O ATOM 738 CB THR A 53 12.859 -17.297 -11.385 1.00 0.00 C ATOM 739 OG1 THR A 53 13.068 -15.880 -11.398 1.00 0.00 O ATOM 740 CG2 THR A 53 12.588 -17.787 -12.800 1.00 0.00 C ATOM 0 H THR A 53 10.491 -16.593 -11.810 1.00 0.00 H new ATOM 0 HA THR A 53 11.508 -18.723 -10.493 1.00 0.00 H new ATOM 0 HB THR A 53 13.755 -17.792 -11.010 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.816 -15.665 -11.994 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.429 -17.527 -13.442 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.459 -18.869 -12.792 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.682 -17.316 -13.181 1.00 0.00 H new ATOM 748 N GLY A 54 12.014 -15.956 -8.744 1.00 0.00 N ATOM 749 CA GLY A 54 12.344 -15.472 -7.417 1.00 0.00 C ATOM 750 C GLY A 54 11.393 -14.392 -6.939 1.00 0.00 C ATOM 751 O GLY A 54 10.262 -14.681 -6.550 1.00 0.00 O ATOM 0 H GLY A 54 11.759 -15.230 -9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.325 -16.305 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.361 -15.081 -7.419 1.00 0.00 H new ATOM 755 N SER A 55 11.853 -13.146 -6.968 1.00 0.00 N ATOM 756 CA SER A 55 11.037 -12.019 -6.530 1.00 0.00 C ATOM 757 C SER A 55 11.248 -10.810 -7.436 1.00 0.00 C ATOM 758 O SER A 55 12.174 -10.782 -8.247 1.00 0.00 O ATOM 759 CB SER A 55 11.372 -11.652 -5.083 1.00 0.00 C ATOM 760 OG SER A 55 11.004 -12.692 -4.194 1.00 0.00 O ATOM 0 H SER A 55 12.786 -12.891 -7.290 1.00 0.00 H new ATOM 0 HA SER A 55 9.990 -12.316 -6.589 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.440 -11.454 -4.993 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.853 -10.734 -4.808 1.00 0.00 H new ATOM 0 HG SER A 55 11.230 -12.433 -3.276 1.00 0.00 H new ATOM 766 N PHE A 56 10.382 -9.813 -7.292 1.00 0.00 N ATOM 767 CA PHE A 56 10.471 -8.601 -8.098 1.00 0.00 C ATOM 768 C PHE A 56 10.770 -7.387 -7.223 1.00 0.00 C ATOM 769 O PHE A 56 10.631 -7.439 -6.000 1.00 0.00 O ATOM 770 CB PHE A 56 9.169 -8.379 -8.870 1.00 0.00 C ATOM 771 CG PHE A 56 8.154 -7.569 -8.114 1.00 0.00 C ATOM 772 CD1 PHE A 56 7.668 -8.009 -6.893 1.00 0.00 C ATOM 773 CD2 PHE A 56 7.686 -6.370 -8.625 1.00 0.00 C ATOM 774 CE1 PHE A 56 6.735 -7.267 -6.195 1.00 0.00 C ATOM 775 CE2 PHE A 56 6.753 -5.623 -7.931 1.00 0.00 C ATOM 776 CZ PHE A 56 6.276 -6.072 -6.715 1.00 0.00 C ATOM 0 H PHE A 56 9.611 -9.820 -6.625 1.00 0.00 H new ATOM 0 HA PHE A 56 11.289 -8.726 -8.808 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.395 -7.877 -9.811 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.735 -9.347 -9.121 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.023 -8.943 -6.482 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.054 -6.015 -9.576 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.365 -7.621 -5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.397 -4.689 -8.339 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.546 -5.490 -6.172 1.00 0.00 H new ATOM 786 N PHE A 57 11.181 -6.294 -7.857 1.00 0.00 N ATOM 787 CA PHE A 57 11.501 -5.067 -7.138 1.00 0.00 C ATOM 788 C PHE A 57 10.671 -3.898 -7.660 1.00 0.00 C ATOM 789 O PHE A 57 10.789 -3.510 -8.822 1.00 0.00 O ATOM 790 CB PHE A 57 12.992 -4.748 -7.269 1.00 0.00 C ATOM 791 CG PHE A 57 13.877 -5.698 -6.514 1.00 0.00 C ATOM 792 CD1 PHE A 57 14.059 -5.559 -5.148 1.00 0.00 C ATOM 793 CD2 PHE A 57 14.528 -6.729 -7.171 1.00 0.00 C ATOM 794 CE1 PHE A 57 14.873 -6.432 -4.450 1.00 0.00 C ATOM 795 CE2 PHE A 57 15.343 -7.605 -6.479 1.00 0.00 C ATOM 796 CZ PHE A 57 15.516 -7.456 -5.117 1.00 0.00 C ATOM 0 H PHE A 57 11.300 -6.233 -8.868 1.00 0.00 H new ATOM 0 HA PHE A 57 11.260 -5.219 -6.086 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.268 -4.767 -8.323 1.00 0.00 H new ATOM 0 HB3 PHE A 57 13.171 -3.734 -6.911 1.00 0.00 H new ATOM 0 HD1 PHE A 57 13.559 -4.759 -4.622 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.397 -6.850 -8.236 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.006 -6.313 -3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.844 -8.405 -7.003 1.00 0.00 H new ATOM 0 HZ PHE A 57 16.153 -8.139 -4.575 1.00 0.00 H new ATOM 806 N GLU A 58 9.832 -3.342 -6.792 1.00 0.00 N ATOM 807 CA GLU A 58 8.981 -2.218 -7.166 1.00 0.00 C ATOM 808 C GLU A 58 9.770 -0.911 -7.156 1.00 0.00 C ATOM 809 O GLU A 58 10.225 -0.456 -6.106 1.00 0.00 O ATOM 810 CB GLU A 58 7.788 -2.114 -6.214 1.00 0.00 C ATOM 811 CG GLU A 58 6.942 -0.870 -6.432 1.00 0.00 C ATOM 812 CD GLU A 58 6.278 -0.386 -5.158 1.00 0.00 C ATOM 813 OE1 GLU A 58 6.980 -0.254 -4.135 1.00 0.00 O ATOM 814 OE2 GLU A 58 5.054 -0.138 -5.185 1.00 0.00 O ATOM 0 H GLU A 58 9.723 -3.651 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 58 8.615 -2.393 -8.178 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.160 -2.996 -6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.152 -2.120 -5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.569 -0.075 -6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.176 -1.082 -7.178 1.00 0.00 H new ATOM 821 N LEU A 59 9.928 -0.314 -8.332 1.00 0.00 N ATOM 822 CA LEU A 59 10.662 0.940 -8.460 1.00 0.00 C ATOM 823 C LEU A 59 9.840 1.977 -9.218 1.00 0.00 C ATOM 824 O LEU A 59 9.530 1.798 -10.396 1.00 0.00 O ATOM 825 CB LEU A 59 11.993 0.704 -9.177 1.00 0.00 C ATOM 826 CG LEU A 59 12.846 1.947 -9.435 1.00 0.00 C ATOM 827 CD1 LEU A 59 13.767 2.216 -8.255 1.00 0.00 C ATOM 828 CD2 LEU A 59 13.651 1.785 -10.716 1.00 0.00 C ATOM 0 H LEU A 59 9.558 -0.678 -9.210 1.00 0.00 H new ATOM 0 HA LEU A 59 10.859 1.321 -7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.581 0.001 -8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.787 0.224 -10.134 1.00 0.00 H new ATOM 0 HG LEU A 59 12.181 2.803 -9.553 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.366 3.104 -8.456 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.170 2.377 -7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.425 1.360 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 59 14.252 2.679 -10.884 1.00 0.00 H new ATOM 0 HD22 LEU A 59 14.306 0.919 -10.627 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.972 1.641 -11.557 1.00 0.00 H new ATOM 840 N ASP A 60 9.492 3.063 -8.536 1.00 0.00 N ATOM 841 CA ASP A 60 8.709 4.131 -9.146 1.00 0.00 C ATOM 842 C ASP A 60 7.320 3.633 -9.534 1.00 0.00 C ATOM 843 O ASP A 60 6.685 4.174 -10.437 1.00 0.00 O ATOM 844 CB ASP A 60 9.429 4.681 -10.378 1.00 0.00 C ATOM 845 CG ASP A 60 10.784 5.272 -10.041 1.00 0.00 C ATOM 846 OD1 ASP A 60 10.826 6.262 -9.282 1.00 0.00 O ATOM 847 OD2 ASP A 60 11.802 4.744 -10.537 1.00 0.00 O ATOM 0 H ASP A 60 9.740 3.227 -7.560 1.00 0.00 H new ATOM 0 HA ASP A 60 8.598 4.930 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.556 3.882 -11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.809 5.445 -10.847 1.00 0.00 H new ATOM 852 N GLY A 61 6.854 2.595 -8.844 1.00 0.00 N ATOM 853 CA GLY A 61 5.545 2.041 -9.132 1.00 0.00 C ATOM 854 C GLY A 61 5.534 1.206 -10.397 1.00 0.00 C ATOM 855 O GLY A 61 4.554 1.210 -11.142 1.00 0.00 O ATOM 0 H GLY A 61 7.360 2.129 -8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.221 1.426 -8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.824 2.853 -9.230 1.00 0.00 H new ATOM 859 N ARG A 62 6.626 0.490 -10.642 1.00 0.00 N ATOM 860 CA ARG A 62 6.740 -0.350 -11.827 1.00 0.00 C ATOM 861 C ARG A 62 7.537 -1.615 -11.523 1.00 0.00 C ATOM 862 O ARG A 62 8.644 -1.566 -10.987 1.00 0.00 O ATOM 863 CB ARG A 62 7.406 0.424 -12.966 1.00 0.00 C ATOM 864 CG ARG A 62 6.419 1.131 -13.881 1.00 0.00 C ATOM 865 CD ARG A 62 6.201 2.575 -13.455 1.00 0.00 C ATOM 866 NE ARG A 62 7.196 3.473 -14.034 1.00 0.00 N ATOM 867 CZ ARG A 62 7.059 4.793 -14.075 1.00 0.00 C ATOM 868 NH1 ARG A 62 5.974 5.367 -13.572 1.00 0.00 N ATOM 869 NH2 ARG A 62 8.009 5.544 -14.618 1.00 0.00 N ATOM 0 H ARG A 62 7.445 0.475 -10.035 1.00 0.00 H new ATOM 0 HA ARG A 62 5.735 -0.640 -12.133 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.088 1.161 -12.543 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.008 -0.265 -13.558 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.788 1.105 -14.906 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.467 0.600 -13.871 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.204 2.895 -13.757 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.241 2.642 -12.368 1.00 0.00 H new ATOM 0 HE ARG A 62 8.043 3.064 -14.429 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.242 4.794 -13.152 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.872 6.381 -13.605 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.846 5.107 -15.005 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.902 6.558 -14.649 1.00 0.00 H new ATOM 883 N PRO A 63 6.963 -2.776 -11.872 1.00 0.00 N ATOM 884 CA PRO A 63 7.603 -4.075 -11.646 1.00 0.00 C ATOM 885 C PRO A 63 8.813 -4.290 -12.548 1.00 0.00 C ATOM 886 O PRO A 63 8.683 -4.372 -13.769 1.00 0.00 O ATOM 887 CB PRO A 63 6.498 -5.078 -11.986 1.00 0.00 C ATOM 888 CG PRO A 63 5.606 -4.353 -12.933 1.00 0.00 C ATOM 889 CD PRO A 63 5.645 -2.909 -12.515 1.00 0.00 C ATOM 0 HA PRO A 63 7.986 -4.169 -10.630 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.908 -5.980 -12.440 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.957 -5.389 -11.092 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.949 -4.471 -13.961 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.590 -4.745 -12.889 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.546 -2.240 -13.370 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.835 -2.668 -11.826 1.00 0.00 H new ATOM 897 N PHE A 64 9.991 -4.381 -11.938 1.00 0.00 N ATOM 898 CA PHE A 64 11.225 -4.586 -12.687 1.00 0.00 C ATOM 899 C PHE A 64 12.006 -5.774 -12.133 1.00 0.00 C ATOM 900 O PHE A 64 11.605 -6.389 -11.145 1.00 0.00 O ATOM 901 CB PHE A 64 12.091 -3.325 -12.639 1.00 0.00 C ATOM 902 CG PHE A 64 11.421 -2.116 -13.225 1.00 0.00 C ATOM 903 CD1 PHE A 64 11.249 -1.998 -14.595 1.00 0.00 C ATOM 904 CD2 PHE A 64 10.965 -1.095 -12.407 1.00 0.00 C ATOM 905 CE1 PHE A 64 10.632 -0.887 -15.138 1.00 0.00 C ATOM 906 CE2 PHE A 64 10.347 0.019 -12.944 1.00 0.00 C ATOM 907 CZ PHE A 64 10.182 0.124 -14.311 1.00 0.00 C ATOM 0 H PHE A 64 10.116 -4.316 -10.928 1.00 0.00 H new ATOM 0 HA PHE A 64 10.961 -4.798 -13.723 1.00 0.00 H new ATOM 0 HB2 PHE A 64 12.358 -3.116 -11.603 1.00 0.00 H new ATOM 0 HB3 PHE A 64 13.021 -3.512 -13.176 1.00 0.00 H new ATOM 0 HD1 PHE A 64 11.601 -2.784 -15.246 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.094 -1.170 -11.337 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.502 -0.809 -16.207 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.994 0.807 -12.295 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.702 0.995 -14.733 1.00 0.00 H new ATOM 917 N CYS A 65 13.124 -6.092 -12.778 1.00 0.00 N ATOM 918 CA CYS A 65 13.962 -7.207 -12.352 1.00 0.00 C ATOM 919 C CYS A 65 15.253 -6.703 -11.714 1.00 0.00 C ATOM 920 O CYS A 65 15.871 -5.758 -12.203 1.00 0.00 O ATOM 921 CB CYS A 65 14.287 -8.111 -13.543 1.00 0.00 C ATOM 922 SG CYS A 65 15.554 -7.436 -14.665 1.00 0.00 S ATOM 0 H CYS A 65 13.470 -5.593 -13.598 1.00 0.00 H new ATOM 0 HA CYS A 65 13.410 -7.782 -11.608 1.00 0.00 H new ATOM 0 HB2 CYS A 65 14.625 -9.078 -13.170 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.373 -8.290 -14.110 1.00 0.00 H new ATOM 927 N GLU A 66 15.654 -7.343 -10.620 1.00 0.00 N ATOM 928 CA GLU A 66 16.872 -6.959 -9.915 1.00 0.00 C ATOM 929 C GLU A 66 17.878 -6.327 -10.871 1.00 0.00 C ATOM 930 O GLU A 66 18.275 -5.173 -10.700 1.00 0.00 O ATOM 931 CB GLU A 66 17.497 -8.177 -9.231 1.00 0.00 C ATOM 932 CG GLU A 66 18.509 -7.819 -8.156 1.00 0.00 C ATOM 933 CD GLU A 66 19.495 -8.939 -7.886 1.00 0.00 C ATOM 934 OE1 GLU A 66 19.660 -9.808 -8.767 1.00 0.00 O ATOM 935 OE2 GLU A 66 20.101 -8.947 -6.794 1.00 0.00 O ATOM 0 H GLU A 66 15.154 -8.128 -10.203 1.00 0.00 H new ATOM 0 HA GLU A 66 16.606 -6.222 -9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.705 -8.780 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 66 17.984 -8.796 -9.984 1.00 0.00 H new ATOM 0 HG2 GLU A 66 19.054 -6.925 -8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.982 -7.574 -7.234 1.00 0.00 H new ATOM 942 N LEU A 67 18.288 -7.090 -11.879 1.00 0.00 N ATOM 943 CA LEU A 67 19.249 -6.605 -12.863 1.00 0.00 C ATOM 944 C LEU A 67 19.007 -5.133 -13.183 1.00 0.00 C ATOM 945 O LEU A 67 19.887 -4.293 -12.993 1.00 0.00 O ATOM 946 CB LEU A 67 19.160 -7.438 -14.144 1.00 0.00 C ATOM 947 CG LEU A 67 19.993 -6.941 -15.326 1.00 0.00 C ATOM 948 CD1 LEU A 67 21.449 -7.352 -15.164 1.00 0.00 C ATOM 949 CD2 LEU A 67 19.430 -7.473 -16.636 1.00 0.00 C ATOM 0 H LEU A 67 17.970 -8.046 -12.036 1.00 0.00 H new ATOM 0 HA LEU A 67 20.248 -6.705 -12.439 1.00 0.00 H new ATOM 0 HB2 LEU A 67 19.467 -8.458 -13.912 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.116 -7.481 -14.454 1.00 0.00 H new ATOM 0 HG LEU A 67 19.944 -5.852 -15.348 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.026 -6.990 -16.015 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.848 -6.923 -14.245 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.517 -8.439 -15.116 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.035 -7.109 -17.466 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.448 -8.563 -16.624 1.00 0.00 H new ATOM 0 HD23 LEU A 67 18.403 -7.128 -16.757 1.00 0.00 H new ATOM 961 N HIS A 68 17.807 -4.828 -13.667 1.00 0.00 N ATOM 962 CA HIS A 68 17.447 -3.456 -14.009 1.00 0.00 C ATOM 963 C HIS A 68 17.177 -2.635 -12.752 1.00 0.00 C ATOM 964 O HIS A 68 17.773 -1.577 -12.550 1.00 0.00 O ATOM 965 CB HIS A 68 16.217 -3.441 -14.917 1.00 0.00 C ATOM 966 CG HIS A 68 16.547 -3.531 -16.375 1.00 0.00 C ATOM 967 ND1 HIS A 68 16.192 -4.606 -17.162 1.00 0.00 N ATOM 968 CD2 HIS A 68 17.202 -2.670 -17.189 1.00 0.00 C ATOM 969 CE1 HIS A 68 16.616 -4.404 -18.397 1.00 0.00 C ATOM 970 NE2 HIS A 68 17.232 -3.236 -18.440 1.00 0.00 N ATOM 0 H HIS A 68 17.068 -5.512 -13.831 1.00 0.00 H new ATOM 0 HA HIS A 68 18.287 -3.008 -14.540 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.567 -4.274 -14.648 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.654 -2.526 -14.736 1.00 0.00 H new ATOM 0 HD2 HIS A 68 17.623 -1.716 -16.907 1.00 0.00 H new ATOM 0 HE1 HIS A 68 16.482 -5.079 -19.230 1.00 0.00 H new ATOM 0 HE2 HIS A 68 17.660 -2.822 -19.268 1.00 0.00 H new ATOM 978 N TYR A 69 16.276 -3.130 -11.911 1.00 0.00 N ATOM 979 CA TYR A 69 15.924 -2.440 -10.675 1.00 0.00 C ATOM 980 C TYR A 69 17.129 -1.699 -10.104 1.00 0.00 C ATOM 981 O TYR A 69 17.098 -0.480 -9.931 1.00 0.00 O ATOM 982 CB TYR A 69 15.389 -3.436 -9.645 1.00 0.00 C ATOM 983 CG TYR A 69 15.405 -2.909 -8.228 1.00 0.00 C ATOM 984 CD1 TYR A 69 14.818 -1.690 -7.913 1.00 0.00 C ATOM 985 CD2 TYR A 69 16.007 -3.630 -7.205 1.00 0.00 C ATOM 986 CE1 TYR A 69 14.831 -1.204 -6.620 1.00 0.00 C ATOM 987 CE2 TYR A 69 16.024 -3.153 -5.909 1.00 0.00 C ATOM 988 CZ TYR A 69 15.435 -1.939 -5.621 1.00 0.00 C ATOM 989 OH TYR A 69 15.450 -1.460 -4.331 1.00 0.00 O ATOM 0 H TYR A 69 15.776 -4.006 -12.062 1.00 0.00 H new ATOM 0 HA TYR A 69 15.146 -1.711 -10.904 1.00 0.00 H new ATOM 0 HB2 TYR A 69 14.367 -3.708 -9.911 1.00 0.00 H new ATOM 0 HB3 TYR A 69 15.984 -4.348 -9.691 1.00 0.00 H new ATOM 0 HD1 TYR A 69 14.343 -1.112 -8.692 1.00 0.00 H new ATOM 0 HD2 TYR A 69 16.470 -4.580 -7.427 1.00 0.00 H new ATOM 0 HE1 TYR A 69 14.371 -0.254 -6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 69 16.496 -3.727 -5.125 1.00 0.00 H new ATOM 0 HH TYR A 69 15.913 -2.099 -3.750 1.00 0.00 H new ATOM 999 N HIS A 70 18.191 -2.444 -9.812 1.00 0.00 N ATOM 1000 CA HIS A 70 19.407 -1.858 -9.261 1.00 0.00 C ATOM 1001 C HIS A 70 20.022 -0.861 -10.239 1.00 0.00 C ATOM 1002 O HIS A 70 20.440 0.229 -9.849 1.00 0.00 O ATOM 1003 CB HIS A 70 20.420 -2.954 -8.928 1.00 0.00 C ATOM 1004 CG HIS A 70 20.000 -3.833 -7.790 1.00 0.00 C ATOM 1005 ND1 HIS A 70 20.647 -3.848 -6.573 1.00 0.00 N ATOM 1006 CD2 HIS A 70 18.990 -4.728 -7.689 1.00 0.00 C ATOM 1007 CE1 HIS A 70 20.054 -4.716 -5.773 1.00 0.00 C ATOM 1008 NE2 HIS A 70 19.045 -5.263 -6.426 1.00 0.00 N ATOM 0 H HIS A 70 18.233 -3.454 -9.948 1.00 0.00 H new ATOM 0 HA HIS A 70 19.143 -1.327 -8.347 1.00 0.00 H new ATOM 0 HB2 HIS A 70 20.580 -3.571 -9.813 1.00 0.00 H new ATOM 0 HB3 HIS A 70 21.377 -2.491 -8.685 1.00 0.00 H new ATOM 0 HD1 HIS A 70 21.457 -3.278 -6.328 1.00 0.00 H new ATOM 0 HD2 HIS A 70 18.274 -4.975 -8.459 1.00 0.00 H new ATOM 0 HE1 HIS A 70 20.345 -4.940 -4.757 1.00 0.00 H new ATOM 1016 N HIS A 71 20.075 -1.243 -11.511 1.00 0.00 N ATOM 1017 CA HIS A 71 20.639 -0.383 -12.545 1.00 0.00 C ATOM 1018 C HIS A 71 19.993 0.999 -12.513 1.00 0.00 C ATOM 1019 O HIS A 71 20.684 2.017 -12.462 1.00 0.00 O ATOM 1020 CB HIS A 71 20.449 -1.015 -13.924 1.00 0.00 C ATOM 1021 CG HIS A 71 21.370 -0.463 -14.968 1.00 0.00 C ATOM 1022 ND1 HIS A 71 20.922 0.144 -16.122 1.00 0.00 N ATOM 1023 CD2 HIS A 71 22.722 -0.427 -15.026 1.00 0.00 C ATOM 1024 CE1 HIS A 71 21.958 0.528 -16.846 1.00 0.00 C ATOM 1025 NE2 HIS A 71 23.063 0.194 -16.203 1.00 0.00 N ATOM 0 H HIS A 71 19.734 -2.142 -11.850 1.00 0.00 H new ATOM 0 HA HIS A 71 21.705 -0.272 -12.349 1.00 0.00 H new ATOM 0 HB2 HIS A 71 20.605 -2.091 -13.846 1.00 0.00 H new ATOM 0 HB3 HIS A 71 19.418 -0.865 -14.245 1.00 0.00 H new ATOM 0 HD2 HIS A 71 23.405 -0.814 -14.285 1.00 0.00 H new ATOM 0 HE1 HIS A 71 21.910 1.030 -17.801 1.00 0.00 H new ATOM 0 HE2 HIS A 71 24.014 0.369 -16.528 1.00 0.00 H new ATOM 1033 N ARG A 72 18.665 1.027 -12.545 1.00 0.00 N ATOM 1034 CA ARG A 72 17.926 2.284 -12.522 1.00 0.00 C ATOM 1035 C ARG A 72 18.233 3.072 -11.252 1.00 0.00 C ATOM 1036 O ARG A 72 18.549 4.260 -11.308 1.00 0.00 O ATOM 1037 CB ARG A 72 16.423 2.019 -12.620 1.00 0.00 C ATOM 1038 CG ARG A 72 15.941 1.763 -14.038 1.00 0.00 C ATOM 1039 CD ARG A 72 14.454 2.049 -14.182 1.00 0.00 C ATOM 1040 NE ARG A 72 14.110 2.494 -15.529 1.00 0.00 N ATOM 1041 CZ ARG A 72 14.317 3.730 -15.970 1.00 0.00 C ATOM 1042 NH1 ARG A 72 14.864 4.639 -15.173 1.00 0.00 N ATOM 1043 NH2 ARG A 72 13.977 4.060 -17.209 1.00 0.00 N ATOM 0 H ARG A 72 18.078 0.194 -12.587 1.00 0.00 H new ATOM 0 HA ARG A 72 18.240 2.876 -13.381 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.173 1.158 -11.999 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.884 2.874 -12.211 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.502 2.389 -14.732 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.141 0.727 -14.310 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.887 1.150 -13.942 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.160 2.813 -13.462 1.00 0.00 H new ATOM 0 HE ARG A 72 13.688 1.819 -16.167 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.127 4.389 -14.219 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.022 5.587 -15.514 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.556 3.364 -17.825 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.137 5.009 -17.546 1.00 0.00 H new ATOM 1057 N ARG A 73 18.137 2.401 -10.108 1.00 0.00 N ATOM 1058 CA ARG A 73 18.402 3.039 -8.824 1.00 0.00 C ATOM 1059 C ARG A 73 19.722 3.803 -8.859 1.00 0.00 C ATOM 1060 O ARG A 73 19.796 4.954 -8.431 1.00 0.00 O ATOM 1061 CB ARG A 73 18.436 1.992 -7.709 1.00 0.00 C ATOM 1062 CG ARG A 73 17.058 1.552 -7.244 1.00 0.00 C ATOM 1063 CD ARG A 73 17.109 0.932 -5.857 1.00 0.00 C ATOM 1064 NE ARG A 73 17.433 1.917 -4.828 1.00 0.00 N ATOM 1065 CZ ARG A 73 16.570 2.821 -4.380 1.00 0.00 C ATOM 1066 NH1 ARG A 73 15.337 2.865 -4.866 1.00 0.00 N ATOM 1067 NH2 ARG A 73 16.940 3.684 -3.442 1.00 0.00 N ATOM 0 H ARG A 73 17.878 1.417 -10.045 1.00 0.00 H new ATOM 0 HA ARG A 73 17.598 3.747 -8.625 1.00 0.00 H new ATOM 0 HB2 ARG A 73 18.988 1.119 -8.058 1.00 0.00 H new ATOM 0 HB3 ARG A 73 18.985 2.397 -6.859 1.00 0.00 H new ATOM 0 HG2 ARG A 73 16.385 2.409 -7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.647 0.831 -7.951 1.00 0.00 H new ATOM 0 HD2 ARG A 73 16.147 0.473 -5.629 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.853 0.135 -5.843 1.00 0.00 H new ATOM 0 HE ARG A 73 18.373 1.910 -4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.049 2.203 -5.586 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.677 3.561 -4.519 1.00 0.00 H new ATOM 0 HH21 ARG A 73 17.887 3.653 -3.065 1.00 0.00 H new ATOM 0 HH22 ARG A 73 16.277 4.379 -3.098 1.00 0.00 H new ATOM 1081 N GLY A 74 20.763 3.154 -9.373 1.00 0.00 N ATOM 1082 CA GLY A 74 22.066 3.788 -9.453 1.00 0.00 C ATOM 1083 C GLY A 74 22.881 3.289 -10.630 1.00 0.00 C ATOM 1084 O GLY A 74 23.018 2.083 -10.832 1.00 0.00 O ATOM 0 H GLY A 74 20.727 2.201 -9.735 1.00 0.00 H new ATOM 0 HA2 GLY A 74 21.937 4.867 -9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 74 22.615 3.602 -8.530 1.00 0.00 H new ATOM 1088 N SER A 75 23.424 4.219 -11.409 1.00 0.00 N ATOM 1089 CA SER A 75 24.226 3.867 -12.575 1.00 0.00 C ATOM 1090 C SER A 75 25.715 3.978 -12.263 1.00 0.00 C ATOM 1091 O SER A 75 26.497 3.086 -12.588 1.00 0.00 O ATOM 1092 CB SER A 75 23.871 4.772 -13.756 1.00 0.00 C ATOM 1093 OG SER A 75 24.249 6.114 -13.502 1.00 0.00 O ATOM 0 H SER A 75 23.323 5.222 -11.254 1.00 0.00 H new ATOM 0 HA SER A 75 24.004 2.833 -12.840 1.00 0.00 H new ATOM 0 HB2 SER A 75 24.371 4.414 -14.656 1.00 0.00 H new ATOM 0 HB3 SER A 75 22.799 4.723 -13.947 1.00 0.00 H new ATOM 0 HG SER A 75 24.013 6.672 -14.272 1.00 0.00 H new ATOM 1099 N GLY A 76 26.101 5.083 -11.631 1.00 0.00 N ATOM 1100 CA GLY A 76 27.494 5.292 -11.286 1.00 0.00 C ATOM 1101 C GLY A 76 28.226 6.134 -12.312 1.00 0.00 C ATOM 1102 O GLY A 76 27.643 6.606 -13.289 1.00 0.00 O ATOM 0 H GLY A 76 25.473 5.837 -11.352 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.555 5.778 -10.312 1.00 0.00 H new ATOM 0 HA3 GLY A 76 27.991 4.326 -11.192 1.00 0.00 H new ATOM 1106 N PRO A 77 29.534 6.334 -12.095 1.00 0.00 N ATOM 1107 CA PRO A 77 30.374 7.127 -12.998 1.00 0.00 C ATOM 1108 C PRO A 77 30.602 6.433 -14.336 1.00 0.00 C ATOM 1109 O PRO A 77 31.382 6.903 -15.165 1.00 0.00 O ATOM 1110 CB PRO A 77 31.693 7.258 -12.232 1.00 0.00 C ATOM 1111 CG PRO A 77 31.725 6.075 -11.328 1.00 0.00 C ATOM 1112 CD PRO A 77 30.295 5.802 -10.952 1.00 0.00 C ATOM 0 HA PRO A 77 29.914 8.083 -13.248 1.00 0.00 H new ATOM 0 HB2 PRO A 77 32.546 7.261 -12.910 1.00 0.00 H new ATOM 0 HB3 PRO A 77 31.732 8.189 -11.667 1.00 0.00 H new ATOM 0 HG2 PRO A 77 32.168 5.214 -11.828 1.00 0.00 H new ATOM 0 HG3 PRO A 77 32.329 6.276 -10.444 1.00 0.00 H new ATOM 0 HD2 PRO A 77 30.113 4.737 -10.809 1.00 0.00 H new ATOM 0 HD3 PRO A 77 30.022 6.299 -10.021 1.00 0.00 H new ATOM 1120 N SER A 78 29.917 5.313 -14.542 1.00 0.00 N ATOM 1121 CA SER A 78 30.047 4.552 -15.779 1.00 0.00 C ATOM 1122 C SER A 78 30.311 5.480 -16.961 1.00 0.00 C ATOM 1123 O SER A 78 29.834 6.614 -16.993 1.00 0.00 O ATOM 1124 CB SER A 78 28.782 3.730 -16.033 1.00 0.00 C ATOM 1125 OG SER A 78 27.660 4.571 -16.236 1.00 0.00 O ATOM 0 H SER A 78 29.266 4.912 -13.867 1.00 0.00 H new ATOM 0 HA SER A 78 30.895 3.875 -15.674 1.00 0.00 H new ATOM 0 HB2 SER A 78 28.927 3.094 -16.907 1.00 0.00 H new ATOM 0 HB3 SER A 78 28.597 3.070 -15.186 1.00 0.00 H new ATOM 0 HG SER A 78 26.865 4.022 -16.398 1.00 0.00 H new ATOM 1131 N SER A 79 31.075 4.988 -17.932 1.00 0.00 N ATOM 1132 CA SER A 79 31.406 5.773 -19.116 1.00 0.00 C ATOM 1133 C SER A 79 30.456 5.450 -20.265 1.00 0.00 C ATOM 1134 O SER A 79 30.404 4.318 -20.744 1.00 0.00 O ATOM 1135 CB SER A 79 32.850 5.505 -19.543 1.00 0.00 C ATOM 1136 OG SER A 79 33.002 4.183 -20.030 1.00 0.00 O ATOM 0 H SER A 79 31.476 4.050 -17.922 1.00 0.00 H new ATOM 0 HA SER A 79 31.298 6.828 -18.864 1.00 0.00 H new ATOM 0 HB2 SER A 79 33.142 6.216 -20.316 1.00 0.00 H new ATOM 0 HB3 SER A 79 33.518 5.663 -18.696 1.00 0.00 H new ATOM 0 HG SER A 79 32.151 3.873 -20.405 1.00 0.00 H new ATOM 1142 N GLY A 80 29.704 6.456 -20.703 1.00 0.00 N ATOM 1143 CA GLY A 80 28.765 6.260 -21.792 1.00 0.00 C ATOM 1144 C GLY A 80 29.455 6.126 -23.135 1.00 0.00 C ATOM 1145 O GLY A 80 29.914 5.034 -23.466 1.00 0.00 O ATOM 0 H GLY A 80 29.729 7.402 -20.323 1.00 0.00 H new ATOM 0 HA2 GLY A 80 28.173 5.365 -21.600 1.00 0.00 H new ATOM 0 HA3 GLY A 80 28.072 7.100 -21.825 1.00 0.00 H new TER 1149 GLY A 80 HETATM 1150 ZN ZN A 201 -2.838 -8.473 -18.149 1.00 0.00 ZN HETATM 1151 ZN ZN A 401 14.612 -6.067 -16.288 1.00 0.00 ZN