USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 35 HIS HD1 : A 35 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.6! X(o=-2.6!,f=-3.1) USER MOD Single : A 26 GLN : amide:sc= -0.774 X(o=-0.77,f=-0.35) USER MOD Single : A 27 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.16) USER MOD Single : A 31 THR OG1 : rot 105:sc= 0.983 USER MOD Single : A 32 LYS NZ :NH3+ 142:sc= -3.73! (180deg=-6.66!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0202 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -5.73! C(o=-5.7!,f=-7.1!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0566 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.077 X(o=0.077,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 170:sc= -7.48! (180deg=-8.03!) USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00392) USER MOD Single : A 74 GLN : amide:sc= -0.833 K(o=-0.83,f=-3.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.718 -47.717 4.055 1.00 0.00 N ATOM 2 CA GLY A 1 -14.973 -46.567 4.532 1.00 0.00 C ATOM 3 C GLY A 1 -14.116 -45.941 3.449 1.00 0.00 C ATOM 4 O GLY A 1 -13.221 -46.588 2.906 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.287 -48.108 4.832 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.346 -47.426 3.278 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.056 -48.442 3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.669 -45.821 4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.338 -46.869 5.364 1.00 0.00 H new ATOM 8 N SER A 2 -14.392 -44.680 3.133 1.00 0.00 N ATOM 9 CA SER A 2 -13.644 -43.969 2.104 1.00 0.00 C ATOM 10 C SER A 2 -13.509 -42.490 2.454 1.00 0.00 C ATOM 11 O SER A 2 -14.305 -41.947 3.220 1.00 0.00 O ATOM 12 CB SER A 2 -14.331 -44.122 0.746 1.00 0.00 C ATOM 13 OG SER A 2 -15.471 -43.285 0.654 1.00 0.00 O ATOM 0 H SER A 2 -15.128 -44.130 3.575 1.00 0.00 H new ATOM 0 HA SER A 2 -12.646 -44.404 2.050 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.629 -43.874 -0.050 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.626 -45.161 0.599 1.00 0.00 H new ATOM 0 HG SER A 2 -15.891 -43.400 -0.224 1.00 0.00 H new ATOM 19 N SER A 3 -12.494 -41.845 1.888 1.00 0.00 N ATOM 20 CA SER A 3 -12.251 -40.429 2.143 1.00 0.00 C ATOM 21 C SER A 3 -12.071 -39.665 0.835 1.00 0.00 C ATOM 22 O SER A 3 -11.659 -40.232 -0.176 1.00 0.00 O ATOM 23 CB SER A 3 -11.013 -40.254 3.025 1.00 0.00 C ATOM 24 OG SER A 3 -11.121 -41.017 4.214 1.00 0.00 O ATOM 0 H SER A 3 -11.827 -42.280 1.250 1.00 0.00 H new ATOM 0 HA SER A 3 -13.119 -40.024 2.663 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.124 -40.559 2.473 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.887 -39.201 3.275 1.00 0.00 H new ATOM 0 HG SER A 3 -10.317 -40.889 4.759 1.00 0.00 H new ATOM 30 N GLY A 4 -12.382 -38.373 0.864 1.00 0.00 N ATOM 31 CA GLY A 4 -12.249 -37.551 -0.324 1.00 0.00 C ATOM 32 C GLY A 4 -12.973 -36.225 -0.196 1.00 0.00 C ATOM 33 O GLY A 4 -14.059 -36.048 -0.748 1.00 0.00 O ATOM 0 H GLY A 4 -12.724 -37.881 1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.192 -37.367 -0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.641 -38.094 -1.184 1.00 0.00 H new ATOM 37 N SER A 5 -12.372 -35.292 0.534 1.00 0.00 N ATOM 38 CA SER A 5 -12.969 -33.977 0.737 1.00 0.00 C ATOM 39 C SER A 5 -12.102 -32.885 0.118 1.00 0.00 C ATOM 40 O SER A 5 -10.920 -33.094 -0.151 1.00 0.00 O ATOM 41 CB SER A 5 -13.161 -33.706 2.231 1.00 0.00 C ATOM 42 OG SER A 5 -11.929 -33.384 2.853 1.00 0.00 O ATOM 0 H SER A 5 -11.472 -35.422 0.995 1.00 0.00 H new ATOM 0 HA SER A 5 -13.942 -33.967 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.866 -32.886 2.367 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.596 -34.583 2.710 1.00 0.00 H new ATOM 0 HG SER A 5 -12.079 -33.214 3.806 1.00 0.00 H new ATOM 48 N SER A 6 -12.701 -31.719 -0.106 1.00 0.00 N ATOM 49 CA SER A 6 -11.986 -30.594 -0.697 1.00 0.00 C ATOM 50 C SER A 6 -11.275 -29.777 0.377 1.00 0.00 C ATOM 51 O SER A 6 -11.769 -29.638 1.495 1.00 0.00 O ATOM 52 CB SER A 6 -12.953 -29.701 -1.477 1.00 0.00 C ATOM 53 OG SER A 6 -13.576 -30.419 -2.527 1.00 0.00 O ATOM 0 H SER A 6 -13.679 -31.529 0.113 1.00 0.00 H new ATOM 0 HA SER A 6 -11.237 -30.991 -1.382 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.712 -29.305 -0.802 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.414 -28.847 -1.886 1.00 0.00 H new ATOM 0 HG SER A 6 -14.190 -29.827 -3.009 1.00 0.00 H new ATOM 59 N GLY A 7 -10.110 -29.239 0.028 1.00 0.00 N ATOM 60 CA GLY A 7 -9.349 -28.442 0.973 1.00 0.00 C ATOM 61 C GLY A 7 -8.949 -27.095 0.405 1.00 0.00 C ATOM 62 O GLY A 7 -8.030 -27.004 -0.408 1.00 0.00 O ATOM 0 H GLY A 7 -9.680 -29.341 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.941 -28.291 1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.453 -28.989 1.267 1.00 0.00 H new ATOM 66 N GLY A 8 -9.642 -26.044 0.833 1.00 0.00 N ATOM 67 CA GLY A 8 -9.340 -24.709 0.350 1.00 0.00 C ATOM 68 C GLY A 8 -8.997 -23.750 1.473 1.00 0.00 C ATOM 69 O GLY A 8 -9.830 -22.942 1.884 1.00 0.00 O ATOM 0 H GLY A 8 -10.407 -26.093 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.505 -24.759 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.196 -24.324 -0.204 1.00 0.00 H new ATOM 73 N SER A 9 -7.768 -23.839 1.971 1.00 0.00 N ATOM 74 CA SER A 9 -7.319 -22.976 3.057 1.00 0.00 C ATOM 75 C SER A 9 -7.182 -21.532 2.582 1.00 0.00 C ATOM 76 O SER A 9 -7.584 -20.599 3.276 1.00 0.00 O ATOM 77 CB SER A 9 -5.982 -23.471 3.611 1.00 0.00 C ATOM 78 OG SER A 9 -5.674 -22.838 4.841 1.00 0.00 O ATOM 0 H SER A 9 -7.065 -24.500 1.640 1.00 0.00 H new ATOM 0 HA SER A 9 -8.067 -23.011 3.849 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.021 -24.551 3.754 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.190 -23.274 2.889 1.00 0.00 H new ATOM 0 HG SER A 9 -4.816 -23.173 5.175 1.00 0.00 H new ATOM 84 N GLU A 10 -6.612 -21.358 1.394 1.00 0.00 N ATOM 85 CA GLU A 10 -6.421 -20.029 0.826 1.00 0.00 C ATOM 86 C GLU A 10 -5.861 -19.067 1.870 1.00 0.00 C ATOM 87 O GLU A 10 -6.357 -17.952 2.030 1.00 0.00 O ATOM 88 CB GLU A 10 -7.744 -19.489 0.278 1.00 0.00 C ATOM 89 CG GLU A 10 -7.573 -18.346 -0.708 1.00 0.00 C ATOM 90 CD GLU A 10 -6.858 -18.770 -1.976 1.00 0.00 C ATOM 91 OE1 GLU A 10 -7.353 -19.694 -2.656 1.00 0.00 O ATOM 92 OE2 GLU A 10 -5.804 -18.178 -2.289 1.00 0.00 O ATOM 0 H GLU A 10 -6.275 -22.120 0.806 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.704 -20.111 0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.284 -20.301 -0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.361 -19.151 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.553 -17.944 -0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.013 -17.541 -0.232 1.00 0.00 H new ATOM 99 N GLU A 11 -4.826 -19.508 2.578 1.00 0.00 N ATOM 100 CA GLU A 11 -4.200 -18.686 3.607 1.00 0.00 C ATOM 101 C GLU A 11 -4.013 -17.252 3.120 1.00 0.00 C ATOM 102 O GLU A 11 -3.445 -17.017 2.055 1.00 0.00 O ATOM 103 CB GLU A 11 -2.848 -19.279 4.012 1.00 0.00 C ATOM 104 CG GLU A 11 -2.948 -20.676 4.602 1.00 0.00 C ATOM 105 CD GLU A 11 -1.696 -21.081 5.356 1.00 0.00 C ATOM 106 OE1 GLU A 11 -0.661 -21.321 4.702 1.00 0.00 O ATOM 107 OE2 GLU A 11 -1.754 -21.158 6.601 1.00 0.00 O ATOM 0 H GLU A 11 -4.404 -20.429 2.458 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.858 -18.673 4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.197 -19.309 3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.375 -18.620 4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.804 -20.722 5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.133 -21.392 3.802 1.00 0.00 H new ATOM 114 N GLU A 12 -4.497 -16.298 3.910 1.00 0.00 N ATOM 115 CA GLU A 12 -4.384 -14.887 3.558 1.00 0.00 C ATOM 116 C GLU A 12 -3.508 -14.144 4.562 1.00 0.00 C ATOM 117 O GLU A 12 -4.011 -13.491 5.476 1.00 0.00 O ATOM 118 CB GLU A 12 -5.770 -14.242 3.499 1.00 0.00 C ATOM 119 CG GLU A 12 -5.864 -13.091 2.512 1.00 0.00 C ATOM 120 CD GLU A 12 -7.287 -12.826 2.057 1.00 0.00 C ATOM 121 OE1 GLU A 12 -8.200 -12.883 2.907 1.00 0.00 O ATOM 122 OE2 GLU A 12 -7.486 -12.563 0.853 1.00 0.00 O ATOM 0 H GLU A 12 -4.970 -16.476 4.796 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.917 -14.820 2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.504 -15.002 3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.036 -13.880 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.460 -12.189 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.244 -13.311 1.643 1.00 0.00 H new ATOM 129 N GLU A 13 -2.194 -14.251 4.386 1.00 0.00 N ATOM 130 CA GLU A 13 -1.248 -13.591 5.277 1.00 0.00 C ATOM 131 C GLU A 13 -1.521 -12.091 5.346 1.00 0.00 C ATOM 132 O GLU A 13 -1.419 -11.479 6.409 1.00 0.00 O ATOM 133 CB GLU A 13 0.187 -13.839 4.808 1.00 0.00 C ATOM 134 CG GLU A 13 0.679 -15.252 5.073 1.00 0.00 C ATOM 135 CD GLU A 13 1.058 -15.475 6.524 1.00 0.00 C ATOM 136 OE1 GLU A 13 0.218 -15.202 7.406 1.00 0.00 O ATOM 137 OE2 GLU A 13 2.197 -15.922 6.777 1.00 0.00 O ATOM 0 H GLU A 13 -1.761 -14.788 3.635 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.374 -14.012 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.251 -13.636 3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.850 -13.133 5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.098 -15.962 4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.543 -15.457 4.440 1.00 0.00 H new ATOM 144 N ILE A 14 -1.867 -11.506 4.204 1.00 0.00 N ATOM 145 CA ILE A 14 -2.154 -10.079 4.134 1.00 0.00 C ATOM 146 C ILE A 14 -2.831 -9.591 5.411 1.00 0.00 C ATOM 147 O ILE A 14 -3.740 -10.228 5.943 1.00 0.00 O ATOM 148 CB ILE A 14 -3.054 -9.744 2.930 1.00 0.00 C ATOM 149 CG1 ILE A 14 -2.348 -10.107 1.621 1.00 0.00 C ATOM 150 CG2 ILE A 14 -3.431 -8.270 2.943 1.00 0.00 C ATOM 151 CD1 ILE A 14 -3.259 -10.075 0.414 1.00 0.00 C ATOM 0 H ILE A 14 -1.955 -11.998 3.315 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.197 -9.570 4.015 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.968 -10.333 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.521 -9.416 1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.917 -11.104 1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.067 -8.050 2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.969 -8.040 3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.527 -7.663 2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.692 -10.343 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.073 -10.787 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.670 -9.073 0.295 1.00 0.00 H new ATOM 163 N PRO A 15 -2.379 -8.433 5.914 1.00 0.00 N ATOM 164 CA PRO A 15 -2.928 -7.833 7.134 1.00 0.00 C ATOM 165 C PRO A 15 -4.345 -7.305 6.933 1.00 0.00 C ATOM 166 O PRO A 15 -4.762 -7.031 5.808 1.00 0.00 O ATOM 167 CB PRO A 15 -1.965 -6.679 7.426 1.00 0.00 C ATOM 168 CG PRO A 15 -1.378 -6.331 6.102 1.00 0.00 C ATOM 169 CD PRO A 15 -1.297 -7.621 5.332 1.00 0.00 C ATOM 0 HA PRO A 15 -3.006 -8.557 7.945 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.488 -5.828 7.863 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.193 -6.977 8.135 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.998 -5.603 5.579 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.391 -5.883 6.218 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.444 -7.462 4.264 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.325 -8.100 5.452 1.00 0.00 H new ATOM 177 N PHE A 16 -5.080 -7.165 8.031 1.00 0.00 N ATOM 178 CA PHE A 16 -6.451 -6.671 7.975 1.00 0.00 C ATOM 179 C PHE A 16 -6.527 -5.224 8.453 1.00 0.00 C ATOM 180 O PHE A 16 -7.321 -4.432 7.944 1.00 0.00 O ATOM 181 CB PHE A 16 -7.368 -7.550 8.828 1.00 0.00 C ATOM 182 CG PHE A 16 -8.810 -7.135 8.781 1.00 0.00 C ATOM 183 CD1 PHE A 16 -9.536 -7.236 7.604 1.00 0.00 C ATOM 184 CD2 PHE A 16 -9.442 -6.645 9.912 1.00 0.00 C ATOM 185 CE1 PHE A 16 -10.863 -6.854 7.558 1.00 0.00 C ATOM 186 CE2 PHE A 16 -10.769 -6.262 9.872 1.00 0.00 C ATOM 187 CZ PHE A 16 -11.481 -6.367 8.693 1.00 0.00 C ATOM 0 H PHE A 16 -4.749 -7.387 8.970 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.783 -6.711 6.938 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -7.284 -8.583 8.491 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.024 -7.524 9.862 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.059 -7.617 6.713 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -8.891 -6.561 10.837 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -11.417 -6.936 6.635 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -11.249 -5.881 10.761 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.519 -6.069 8.659 1.00 0.00 H new ATOM 197 N ARG A 17 -5.696 -4.886 9.433 1.00 0.00 N ATOM 198 CA ARG A 17 -5.670 -3.535 9.981 1.00 0.00 C ATOM 199 C ARG A 17 -4.236 -3.038 10.133 1.00 0.00 C ATOM 200 O ARG A 17 -3.290 -3.826 10.128 1.00 0.00 O ATOM 201 CB ARG A 17 -6.380 -3.498 11.336 1.00 0.00 C ATOM 202 CG ARG A 17 -5.536 -4.033 12.481 1.00 0.00 C ATOM 203 CD ARG A 17 -6.033 -3.522 13.825 1.00 0.00 C ATOM 204 NE ARG A 17 -7.199 -4.263 14.295 1.00 0.00 N ATOM 205 CZ ARG A 17 -7.543 -4.358 15.575 1.00 0.00 C ATOM 206 NH1 ARG A 17 -6.814 -3.760 16.507 1.00 0.00 N ATOM 207 NH2 ARG A 17 -8.619 -5.051 15.925 1.00 0.00 N ATOM 0 H ARG A 17 -5.032 -5.529 9.864 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.193 -2.878 9.286 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.668 -2.470 11.558 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.299 -4.080 11.271 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.559 -5.123 12.474 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.497 -3.735 12.339 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.233 -3.601 14.561 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.285 -2.465 13.740 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.782 -4.734 13.603 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.987 -3.225 16.242 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.080 -3.835 17.489 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.183 -5.512 15.211 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.882 -5.123 16.908 1.00 0.00 H new ATOM 221 N CYS A 18 -4.081 -1.725 10.268 1.00 0.00 N ATOM 222 CA CYS A 18 -2.763 -1.121 10.421 1.00 0.00 C ATOM 223 C CYS A 18 -2.071 -1.636 11.680 1.00 0.00 C ATOM 224 O CYS A 18 -2.716 -2.179 12.577 1.00 0.00 O ATOM 225 CB CYS A 18 -2.881 0.403 10.477 1.00 0.00 C ATOM 226 SG CYS A 18 -1.289 1.265 10.675 1.00 0.00 S ATOM 0 H CYS A 18 -4.853 -1.058 10.275 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.160 -1.400 9.557 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.361 0.753 9.563 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.535 0.676 11.305 1.00 0.00 H new ATOM 231 N PHE A 19 -0.756 -1.460 11.739 1.00 0.00 N ATOM 232 CA PHE A 19 0.025 -1.907 12.887 1.00 0.00 C ATOM 233 C PHE A 19 0.579 -0.717 13.665 1.00 0.00 C ATOM 234 O PHE A 19 0.790 -0.797 14.875 1.00 0.00 O ATOM 235 CB PHE A 19 1.172 -2.811 12.430 1.00 0.00 C ATOM 236 CG PHE A 19 1.692 -2.474 11.061 1.00 0.00 C ATOM 237 CD1 PHE A 19 1.005 -2.876 9.927 1.00 0.00 C ATOM 238 CD2 PHE A 19 2.867 -1.757 10.909 1.00 0.00 C ATOM 239 CE1 PHE A 19 1.480 -2.568 8.666 1.00 0.00 C ATOM 240 CE2 PHE A 19 3.347 -1.445 9.651 1.00 0.00 C ATOM 241 CZ PHE A 19 2.653 -1.852 8.528 1.00 0.00 C ATOM 0 H PHE A 19 -0.208 -1.011 11.005 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.634 -2.473 13.545 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.989 -2.739 13.148 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.832 -3.847 12.436 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.088 -3.437 10.029 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.415 -1.438 11.784 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.935 -2.887 7.790 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.264 -0.884 9.546 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.027 -1.611 7.544 1.00 0.00 H new ATOM 251 N ILE A 20 0.812 0.385 12.960 1.00 0.00 N ATOM 252 CA ILE A 20 1.340 1.592 13.584 1.00 0.00 C ATOM 253 C ILE A 20 0.332 2.196 14.556 1.00 0.00 C ATOM 254 O ILE A 20 0.704 2.741 15.595 1.00 0.00 O ATOM 255 CB ILE A 20 1.719 2.650 12.531 1.00 0.00 C ATOM 256 CG1 ILE A 20 2.815 2.114 11.608 1.00 0.00 C ATOM 257 CG2 ILE A 20 2.172 3.934 13.210 1.00 0.00 C ATOM 258 CD1 ILE A 20 2.855 2.795 10.258 1.00 0.00 C ATOM 0 H ILE A 20 0.644 0.467 11.957 1.00 0.00 H new ATOM 0 HA ILE A 20 2.236 1.298 14.131 1.00 0.00 H new ATOM 0 HB ILE A 20 0.839 2.872 11.927 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.782 2.236 12.096 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.665 1.044 11.462 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.437 4.672 12.453 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.364 4.323 13.829 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.041 3.728 13.835 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.656 2.364 9.657 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.902 2.651 9.749 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.036 3.861 10.394 1.00 0.00 H new ATOM 270 N CYS A 21 -0.948 2.093 14.211 1.00 0.00 N ATOM 271 CA CYS A 21 -2.012 2.627 15.053 1.00 0.00 C ATOM 272 C CYS A 21 -2.958 1.518 15.502 1.00 0.00 C ATOM 273 O CYS A 21 -3.789 1.718 16.388 1.00 0.00 O ATOM 274 CB CYS A 21 -2.793 3.706 14.300 1.00 0.00 C ATOM 275 SG CYS A 21 -3.436 3.166 12.683 1.00 0.00 S ATOM 0 H CYS A 21 -1.273 1.645 13.354 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.554 3.070 15.938 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.627 4.035 14.920 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.146 4.571 14.152 1.00 0.00 H new ATOM 280 N ARG A 22 -2.826 0.348 14.885 1.00 0.00 N ATOM 281 CA ARG A 22 -3.670 -0.792 15.220 1.00 0.00 C ATOM 282 C ARG A 22 -5.139 -0.478 14.956 1.00 0.00 C ATOM 283 O ARG A 22 -6.019 -0.910 15.700 1.00 0.00 O ATOM 284 CB ARG A 22 -3.476 -1.183 16.686 1.00 0.00 C ATOM 285 CG ARG A 22 -2.079 -1.690 17.002 1.00 0.00 C ATOM 286 CD ARG A 22 -1.794 -3.010 16.303 1.00 0.00 C ATOM 287 NE ARG A 22 -2.641 -4.089 16.804 1.00 0.00 N ATOM 288 CZ ARG A 22 -2.348 -4.817 17.876 1.00 0.00 C ATOM 289 NH1 ARG A 22 -1.234 -4.582 18.556 1.00 0.00 N ATOM 290 NH2 ARG A 22 -3.170 -5.781 18.270 1.00 0.00 N ATOM 0 H ARG A 22 -2.142 0.165 14.150 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.376 -1.628 14.586 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.690 -0.319 17.315 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.201 -1.954 16.946 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.343 -0.947 16.694 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.972 -1.817 18.079 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.952 -2.894 15.231 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.746 -3.276 16.444 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.505 -4.295 16.303 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.600 -3.841 18.256 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.011 -5.142 19.379 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.028 -5.964 17.750 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.944 -6.339 19.093 1.00 0.00 H new ATOM 304 N GLN A 23 -5.396 0.278 13.893 1.00 0.00 N ATOM 305 CA GLN A 23 -6.759 0.651 13.532 1.00 0.00 C ATOM 306 C GLN A 23 -7.085 0.209 12.110 1.00 0.00 C ATOM 307 O GLN A 23 -6.212 -0.256 11.378 1.00 0.00 O ATOM 308 CB GLN A 23 -6.948 2.162 13.666 1.00 0.00 C ATOM 309 CG GLN A 23 -5.983 2.813 14.644 1.00 0.00 C ATOM 310 CD GLN A 23 -6.443 2.694 16.084 1.00 0.00 C ATOM 311 OE1 GLN A 23 -7.501 2.132 16.366 1.00 0.00 O ATOM 312 NE2 GLN A 23 -5.647 3.225 17.005 1.00 0.00 N ATOM 0 H GLN A 23 -4.679 0.644 13.267 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.441 0.145 14.215 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.825 2.623 12.686 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.970 2.365 13.988 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.001 2.352 14.541 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.869 3.867 14.389 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.779 3.682 16.726 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.904 3.176 17.991 1.00 0.00 H new ATOM 321 N ALA A 24 -8.348 0.358 11.724 1.00 0.00 N ATOM 322 CA ALA A 24 -8.790 -0.023 10.389 1.00 0.00 C ATOM 323 C ALA A 24 -7.935 0.643 9.316 1.00 0.00 C ATOM 324 O ALA A 24 -7.783 1.865 9.300 1.00 0.00 O ATOM 325 CB ALA A 24 -10.256 0.335 10.195 1.00 0.00 C ATOM 0 H ALA A 24 -9.084 0.740 12.318 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.675 -1.102 10.290 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.572 0.044 9.193 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.860 -0.192 10.933 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.388 1.410 10.320 1.00 0.00 H new ATOM 331 N PHE A 25 -7.377 -0.167 8.423 1.00 0.00 N ATOM 332 CA PHE A 25 -6.535 0.345 7.348 1.00 0.00 C ATOM 333 C PHE A 25 -7.208 1.519 6.642 1.00 0.00 C ATOM 334 O PHE A 25 -8.172 1.339 5.899 1.00 0.00 O ATOM 335 CB PHE A 25 -6.229 -0.764 6.339 1.00 0.00 C ATOM 336 CG PHE A 25 -4.975 -1.529 6.651 1.00 0.00 C ATOM 337 CD1 PHE A 25 -3.806 -0.863 6.981 1.00 0.00 C ATOM 338 CD2 PHE A 25 -4.965 -2.914 6.613 1.00 0.00 C ATOM 339 CE1 PHE A 25 -2.650 -1.564 7.269 1.00 0.00 C ATOM 340 CE2 PHE A 25 -3.812 -3.620 6.901 1.00 0.00 C ATOM 341 CZ PHE A 25 -2.653 -2.945 7.228 1.00 0.00 C ATOM 0 H PHE A 25 -7.492 -1.180 8.422 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.601 0.695 7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.070 -1.457 6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.140 -0.325 5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.798 0.216 7.014 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.868 -3.448 6.356 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.745 -1.033 7.526 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.818 -4.700 6.870 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.751 -3.495 7.451 1.00 0.00 H new ATOM 351 N GLN A 26 -6.691 2.720 6.880 1.00 0.00 N ATOM 352 CA GLN A 26 -7.242 3.923 6.268 1.00 0.00 C ATOM 353 C GLN A 26 -6.330 4.437 5.159 1.00 0.00 C ATOM 354 O GLN A 26 -5.246 4.954 5.423 1.00 0.00 O ATOM 355 CB GLN A 26 -7.443 5.011 7.324 1.00 0.00 C ATOM 356 CG GLN A 26 -8.713 4.839 8.142 1.00 0.00 C ATOM 357 CD GLN A 26 -9.965 4.877 7.289 1.00 0.00 C ATOM 358 OE1 GLN A 26 -10.523 5.944 7.031 1.00 0.00 O ATOM 359 NE2 GLN A 26 -10.415 3.709 6.844 1.00 0.00 N ATOM 0 H GLN A 26 -5.892 2.886 7.492 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.207 3.668 5.830 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.585 5.015 7.997 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.467 5.983 6.832 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.671 3.890 8.677 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.766 5.626 8.894 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.922 2.848 7.082 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.254 3.673 6.265 1.00 0.00 H new ATOM 368 N ASN A 27 -6.778 4.289 3.916 1.00 0.00 N ATOM 369 CA ASN A 27 -6.001 4.738 2.766 1.00 0.00 C ATOM 370 C ASN A 27 -4.601 4.133 2.786 1.00 0.00 C ATOM 371 O ASN A 27 -3.593 4.835 2.701 1.00 0.00 O ATOM 372 CB ASN A 27 -5.909 6.265 2.750 1.00 0.00 C ATOM 373 CG ASN A 27 -7.193 6.926 3.213 1.00 0.00 C ATOM 374 OD1 ASN A 27 -8.288 6.524 2.820 1.00 0.00 O ATOM 375 ND2 ASN A 27 -7.063 7.946 4.053 1.00 0.00 N ATOM 0 H ASN A 27 -7.674 3.862 3.680 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.510 4.402 1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.088 6.584 3.392 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.674 6.602 1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.891 8.430 4.399 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.135 8.245 4.352 1.00 0.00 H new ATOM 382 N PRO A 28 -4.534 2.798 2.902 1.00 0.00 N ATOM 383 CA PRO A 28 -3.263 2.069 2.935 1.00 0.00 C ATOM 384 C PRO A 28 -2.549 2.086 1.587 1.00 0.00 C ATOM 385 O PRO A 28 -3.188 2.094 0.535 1.00 0.00 O ATOM 386 CB PRO A 28 -3.681 0.643 3.300 1.00 0.00 C ATOM 387 CG PRO A 28 -5.092 0.531 2.835 1.00 0.00 C ATOM 388 CD PRO A 28 -5.694 1.898 3.008 1.00 0.00 C ATOM 0 HA PRO A 28 -2.557 2.514 3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.043 -0.094 2.811 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.603 0.470 4.373 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.136 0.214 1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.637 -0.212 3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.438 2.109 2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.193 1.998 3.972 1.00 0.00 H new ATOM 396 N VAL A 29 -1.220 2.093 1.626 1.00 0.00 N ATOM 397 CA VAL A 29 -0.420 2.108 0.408 1.00 0.00 C ATOM 398 C VAL A 29 0.624 0.997 0.422 1.00 0.00 C ATOM 399 O VAL A 29 1.222 0.706 1.458 1.00 0.00 O ATOM 400 CB VAL A 29 0.290 3.462 0.219 1.00 0.00 C ATOM 401 CG1 VAL A 29 -0.723 4.561 -0.063 1.00 0.00 C ATOM 402 CG2 VAL A 29 1.128 3.799 1.443 1.00 0.00 C ATOM 0 H VAL A 29 -0.675 2.089 2.488 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.107 1.947 -0.423 1.00 0.00 H new ATOM 0 HB VAL A 29 0.957 3.387 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.203 5.510 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.276 4.322 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.417 4.640 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.623 4.759 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.484 3.857 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.879 3.024 1.595 1.00 0.00 H new ATOM 412 N VAL A 30 0.839 0.379 -0.735 1.00 0.00 N ATOM 413 CA VAL A 30 1.812 -0.700 -0.856 1.00 0.00 C ATOM 414 C VAL A 30 3.204 -0.153 -1.155 1.00 0.00 C ATOM 415 O VAL A 30 3.380 0.673 -2.050 1.00 0.00 O ATOM 416 CB VAL A 30 1.414 -1.693 -1.964 1.00 0.00 C ATOM 417 CG1 VAL A 30 1.601 -1.065 -3.337 1.00 0.00 C ATOM 418 CG2 VAL A 30 2.220 -2.978 -1.842 1.00 0.00 C ATOM 0 H VAL A 30 0.352 0.607 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 30 1.827 -1.222 0.101 1.00 0.00 H new ATOM 0 HB VAL A 30 0.359 -1.940 -1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.315 -1.782 -4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.976 -0.176 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.646 -0.787 -3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.926 -3.668 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.282 -2.751 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.030 -3.436 -0.871 1.00 0.00 H new ATOM 428 N THR A 31 4.192 -0.621 -0.399 1.00 0.00 N ATOM 429 CA THR A 31 5.569 -0.179 -0.581 1.00 0.00 C ATOM 430 C THR A 31 6.396 -1.239 -1.300 1.00 0.00 C ATOM 431 O THR A 31 5.897 -2.318 -1.622 1.00 0.00 O ATOM 432 CB THR A 31 6.237 0.150 0.767 1.00 0.00 C ATOM 433 OG1 THR A 31 5.946 -0.878 1.722 1.00 0.00 O ATOM 434 CG2 THR A 31 5.755 1.492 1.297 1.00 0.00 C ATOM 0 H THR A 31 4.064 -1.306 0.345 1.00 0.00 H new ATOM 0 HA THR A 31 5.533 0.725 -1.190 1.00 0.00 H new ATOM 0 HB THR A 31 7.314 0.205 0.609 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.736 -1.444 1.844 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.241 1.703 2.250 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.004 2.276 0.582 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.675 1.460 1.440 1.00 0.00 H new ATOM 442 N LYS A 32 7.663 -0.927 -1.547 1.00 0.00 N ATOM 443 CA LYS A 32 8.562 -1.853 -2.226 1.00 0.00 C ATOM 444 C LYS A 32 8.820 -3.088 -1.368 1.00 0.00 C ATOM 445 O LYS A 32 9.167 -4.152 -1.882 1.00 0.00 O ATOM 446 CB LYS A 32 9.887 -1.162 -2.556 1.00 0.00 C ATOM 447 CG LYS A 32 9.762 -0.085 -3.620 1.00 0.00 C ATOM 448 CD LYS A 32 9.494 1.278 -3.006 1.00 0.00 C ATOM 449 CE LYS A 32 10.587 1.672 -2.024 1.00 0.00 C ATOM 450 NZ LYS A 32 10.212 1.352 -0.619 1.00 0.00 N ATOM 0 H LYS A 32 8.091 -0.039 -1.287 1.00 0.00 H new ATOM 0 HA LYS A 32 8.084 -2.169 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.292 -0.718 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.604 -1.911 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.679 -0.046 -4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.954 -0.341 -4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.426 2.027 -3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.531 1.265 -2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.510 1.153 -2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.787 2.740 -2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.050 1.013 -0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.843 2.207 -0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.481 0.613 -0.615 1.00 0.00 H new ATOM 464 N CYS A 33 8.647 -2.940 -0.059 1.00 0.00 N ATOM 465 CA CYS A 33 8.860 -4.043 0.870 1.00 0.00 C ATOM 466 C CYS A 33 7.603 -4.899 0.996 1.00 0.00 C ATOM 467 O CYS A 33 7.491 -5.725 1.901 1.00 0.00 O ATOM 468 CB CYS A 33 9.265 -3.507 2.245 1.00 0.00 C ATOM 469 SG CYS A 33 8.257 -2.104 2.823 1.00 0.00 S ATOM 0 H CYS A 33 8.360 -2.067 0.382 1.00 0.00 H new ATOM 0 HA CYS A 33 9.664 -4.666 0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.195 -4.315 2.973 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.310 -3.199 2.210 1.00 0.00 H new ATOM 474 N ARG A 34 6.662 -4.696 0.080 1.00 0.00 N ATOM 475 CA ARG A 34 5.413 -5.448 0.088 1.00 0.00 C ATOM 476 C ARG A 34 4.671 -5.255 1.408 1.00 0.00 C ATOM 477 O ARG A 34 4.139 -6.209 1.978 1.00 0.00 O ATOM 478 CB ARG A 34 5.687 -6.935 -0.142 1.00 0.00 C ATOM 479 CG ARG A 34 5.694 -7.333 -1.609 1.00 0.00 C ATOM 480 CD ARG A 34 4.295 -7.293 -2.204 1.00 0.00 C ATOM 481 NE ARG A 34 3.529 -8.494 -1.882 1.00 0.00 N ATOM 482 CZ ARG A 34 2.202 -8.535 -1.855 1.00 0.00 C ATOM 483 NH1 ARG A 34 1.497 -7.446 -2.131 1.00 0.00 N ATOM 484 NH2 ARG A 34 1.577 -9.665 -1.553 1.00 0.00 N ATOM 0 H ARG A 34 6.741 -4.017 -0.677 1.00 0.00 H new ATOM 0 HA ARG A 34 4.786 -5.072 -0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.650 -7.191 0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.931 -7.520 0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.347 -6.661 -2.166 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.106 -8.337 -1.713 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.767 -6.415 -1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.364 -7.187 -3.287 1.00 0.00 H new ATOM 0 HE ARG A 34 4.042 -9.349 -1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.974 -6.575 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.478 -7.479 -2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.116 -10.505 -1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.558 -9.694 -1.533 1.00 0.00 H new ATOM 498 N HIS A 35 4.639 -4.016 1.888 1.00 0.00 N ATOM 499 CA HIS A 35 3.963 -3.698 3.140 1.00 0.00 C ATOM 500 C HIS A 35 2.921 -2.604 2.932 1.00 0.00 C ATOM 501 O HIS A 35 2.973 -1.861 1.951 1.00 0.00 O ATOM 502 CB HIS A 35 4.978 -3.258 4.195 1.00 0.00 C ATOM 503 CG HIS A 35 5.781 -4.388 4.761 1.00 0.00 C ATOM 504 ND1 HIS A 35 6.874 -4.198 5.580 1.00 0.00 N ATOM 505 CD2 HIS A 35 5.644 -5.728 4.624 1.00 0.00 C ATOM 506 CE1 HIS A 35 7.376 -5.372 5.920 1.00 0.00 C ATOM 507 NE2 HIS A 35 6.648 -6.317 5.354 1.00 0.00 N ATOM 0 H HIS A 35 5.074 -3.216 1.429 1.00 0.00 H new ATOM 0 HA HIS A 35 3.455 -4.597 3.488 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.655 -2.527 3.753 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.452 -2.755 5.006 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.887 -6.239 4.048 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.236 -5.532 6.553 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.805 -7.321 5.444 1.00 0.00 H new ATOM 515 N TYR A 36 1.974 -2.510 3.859 1.00 0.00 N ATOM 516 CA TYR A 36 0.918 -1.508 3.776 1.00 0.00 C ATOM 517 C TYR A 36 0.892 -0.638 5.028 1.00 0.00 C ATOM 518 O TYR A 36 1.184 -1.105 6.129 1.00 0.00 O ATOM 519 CB TYR A 36 -0.440 -2.184 3.582 1.00 0.00 C ATOM 520 CG TYR A 36 -0.403 -3.357 2.629 1.00 0.00 C ATOM 521 CD1 TYR A 36 -0.347 -3.158 1.254 1.00 0.00 C ATOM 522 CD2 TYR A 36 -0.426 -4.663 3.101 1.00 0.00 C ATOM 523 CE1 TYR A 36 -0.313 -4.226 0.379 1.00 0.00 C ATOM 524 CE2 TYR A 36 -0.391 -5.737 2.233 1.00 0.00 C ATOM 525 CZ TYR A 36 -0.335 -5.514 0.873 1.00 0.00 C ATOM 526 OH TYR A 36 -0.302 -6.581 0.005 1.00 0.00 O ATOM 0 H TYR A 36 1.916 -3.116 4.677 1.00 0.00 H new ATOM 0 HA TYR A 36 1.125 -0.869 2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.808 -2.525 4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.153 -1.448 3.211 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.330 -2.151 0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.472 -4.842 4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.269 -4.054 -0.686 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.407 -6.746 2.617 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.323 -7.418 0.514 1.00 0.00 H new ATOM 536 N PHE A 37 0.541 0.631 4.851 1.00 0.00 N ATOM 537 CA PHE A 37 0.476 1.569 5.966 1.00 0.00 C ATOM 538 C PHE A 37 -0.507 2.698 5.671 1.00 0.00 C ATOM 539 O PHE A 37 -0.656 3.123 4.525 1.00 0.00 O ATOM 540 CB PHE A 37 1.863 2.148 6.254 1.00 0.00 C ATOM 541 CG PHE A 37 2.983 1.185 5.981 1.00 0.00 C ATOM 542 CD1 PHE A 37 3.265 0.779 4.687 1.00 0.00 C ATOM 543 CD2 PHE A 37 3.753 0.685 7.019 1.00 0.00 C ATOM 544 CE1 PHE A 37 4.295 -0.106 4.432 1.00 0.00 C ATOM 545 CE2 PHE A 37 4.785 -0.201 6.770 1.00 0.00 C ATOM 546 CZ PHE A 37 5.055 -0.598 5.475 1.00 0.00 C ATOM 0 H PHE A 37 0.297 1.034 3.946 1.00 0.00 H new ATOM 0 HA PHE A 37 0.126 1.027 6.844 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.008 3.042 5.648 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.908 2.459 7.298 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.673 1.159 3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.545 0.991 8.034 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.506 -0.413 3.418 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.379 -0.582 7.587 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.859 -1.292 5.278 1.00 0.00 H new ATOM 556 N CYS A 38 -1.176 3.180 6.714 1.00 0.00 N ATOM 557 CA CYS A 38 -2.146 4.258 6.569 1.00 0.00 C ATOM 558 C CYS A 38 -1.510 5.476 5.904 1.00 0.00 C ATOM 559 O CYS A 38 -0.455 5.946 6.328 1.00 0.00 O ATOM 560 CB CYS A 38 -2.714 4.648 7.935 1.00 0.00 C ATOM 561 SG CYS A 38 -3.319 3.239 8.918 1.00 0.00 S ATOM 0 H CYS A 38 -1.063 2.840 7.669 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.957 3.901 5.934 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.942 5.168 8.502 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.532 5.353 7.789 1.00 0.00 H new ATOM 566 N GLU A 39 -2.161 5.980 4.860 1.00 0.00 N ATOM 567 CA GLU A 39 -1.659 7.143 4.137 1.00 0.00 C ATOM 568 C GLU A 39 -1.079 8.174 5.101 1.00 0.00 C ATOM 569 O GLU A 39 -0.126 8.881 4.771 1.00 0.00 O ATOM 570 CB GLU A 39 -2.777 7.776 3.306 1.00 0.00 C ATOM 571 CG GLU A 39 -2.311 8.940 2.448 1.00 0.00 C ATOM 572 CD GLU A 39 -3.400 9.972 2.224 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.153 10.255 3.179 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.500 10.495 1.095 1.00 0.00 O ATOM 0 H GLU A 39 -3.036 5.602 4.496 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.865 6.809 3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.216 7.014 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.565 8.121 3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.455 9.418 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.970 8.562 1.484 1.00 0.00 H new ATOM 581 N SER A 40 -1.661 8.255 6.293 1.00 0.00 N ATOM 582 CA SER A 40 -1.206 9.203 7.303 1.00 0.00 C ATOM 583 C SER A 40 0.017 8.665 8.040 1.00 0.00 C ATOM 584 O SER A 40 1.001 9.379 8.238 1.00 0.00 O ATOM 585 CB SER A 40 -2.329 9.496 8.300 1.00 0.00 C ATOM 586 OG SER A 40 -2.100 10.718 8.981 1.00 0.00 O ATOM 0 H SER A 40 -2.449 7.675 6.583 1.00 0.00 H new ATOM 0 HA SER A 40 -0.927 10.128 6.799 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.283 9.542 7.775 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.401 8.682 9.021 1.00 0.00 H new ATOM 0 HG SER A 40 -2.832 10.884 9.611 1.00 0.00 H new ATOM 592 N CYS A 41 -0.052 7.402 8.445 1.00 0.00 N ATOM 593 CA CYS A 41 1.047 6.766 9.161 1.00 0.00 C ATOM 594 C CYS A 41 2.321 6.774 8.320 1.00 0.00 C ATOM 595 O CYS A 41 3.399 7.107 8.811 1.00 0.00 O ATOM 596 CB CYS A 41 0.678 5.329 9.534 1.00 0.00 C ATOM 597 SG CYS A 41 -0.475 5.198 10.939 1.00 0.00 S ATOM 0 H CYS A 41 -0.859 6.798 8.289 1.00 0.00 H new ATOM 0 HA CYS A 41 1.230 7.335 10.073 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.233 4.843 8.666 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.590 4.782 9.774 1.00 0.00 H new ATOM 602 N ALA A 42 2.186 6.404 7.050 1.00 0.00 N ATOM 603 CA ALA A 42 3.325 6.371 6.140 1.00 0.00 C ATOM 604 C ALA A 42 3.988 7.740 6.041 1.00 0.00 C ATOM 605 O ALA A 42 5.207 7.861 6.168 1.00 0.00 O ATOM 606 CB ALA A 42 2.886 5.893 4.764 1.00 0.00 C ATOM 0 H ALA A 42 1.301 6.123 6.629 1.00 0.00 H new ATOM 0 HA ALA A 42 4.058 5.670 6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.746 5.873 4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.465 4.891 4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.132 6.572 4.366 1.00 0.00 H new ATOM 612 N LEU A 43 3.180 8.769 5.811 1.00 0.00 N ATOM 613 CA LEU A 43 3.689 10.131 5.694 1.00 0.00 C ATOM 614 C LEU A 43 4.266 10.613 7.021 1.00 0.00 C ATOM 615 O LEU A 43 5.431 11.001 7.097 1.00 0.00 O ATOM 616 CB LEU A 43 2.576 11.075 5.236 1.00 0.00 C ATOM 617 CG LEU A 43 1.991 10.800 3.850 1.00 0.00 C ATOM 618 CD1 LEU A 43 0.725 11.614 3.634 1.00 0.00 C ATOM 619 CD2 LEU A 43 3.016 11.107 2.768 1.00 0.00 C ATOM 0 H LEU A 43 2.169 8.686 5.702 1.00 0.00 H new ATOM 0 HA LEU A 43 4.486 10.132 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.767 11.031 5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.963 12.094 5.250 1.00 0.00 H new ATOM 0 HG LEU A 43 1.733 9.743 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.323 11.405 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.014 11.345 4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.957 12.676 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.582 10.906 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.305 12.156 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.896 10.479 2.911 1.00 0.00 H new ATOM 631 N GLU A 44 3.443 10.583 8.064 1.00 0.00 N ATOM 632 CA GLU A 44 3.873 11.016 9.388 1.00 0.00 C ATOM 633 C GLU A 44 5.169 10.320 9.794 1.00 0.00 C ATOM 634 O GLU A 44 6.148 10.972 10.161 1.00 0.00 O ATOM 635 CB GLU A 44 2.782 10.729 10.422 1.00 0.00 C ATOM 636 CG GLU A 44 3.160 11.139 11.836 1.00 0.00 C ATOM 637 CD GLU A 44 2.904 12.609 12.104 1.00 0.00 C ATOM 638 OE1 GLU A 44 1.757 13.059 11.896 1.00 0.00 O ATOM 639 OE2 GLU A 44 3.848 13.311 12.523 1.00 0.00 O ATOM 0 H GLU A 44 2.475 10.264 8.018 1.00 0.00 H new ATOM 0 HA GLU A 44 4.054 12.090 9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.871 11.253 10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.554 9.663 10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.593 10.539 12.548 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.215 10.921 12.004 1.00 0.00 H new ATOM 646 N HIS A 45 5.168 8.993 9.725 1.00 0.00 N ATOM 647 CA HIS A 45 6.344 8.208 10.085 1.00 0.00 C ATOM 648 C HIS A 45 7.530 8.567 9.195 1.00 0.00 C ATOM 649 O HIS A 45 8.663 8.668 9.665 1.00 0.00 O ATOM 650 CB HIS A 45 6.040 6.714 9.971 1.00 0.00 C ATOM 651 CG HIS A 45 6.909 5.858 10.840 1.00 0.00 C ATOM 652 ND1 HIS A 45 7.066 6.074 12.193 1.00 0.00 N ATOM 653 CD2 HIS A 45 7.669 4.778 10.542 1.00 0.00 C ATOM 654 CE1 HIS A 45 7.887 5.165 12.689 1.00 0.00 C ATOM 655 NE2 HIS A 45 8.267 4.366 11.708 1.00 0.00 N ATOM 0 H HIS A 45 4.367 8.439 9.423 1.00 0.00 H new ATOM 0 HA HIS A 45 6.604 8.441 11.118 1.00 0.00 H new ATOM 0 HB2 HIS A 45 4.996 6.543 10.234 1.00 0.00 H new ATOM 0 HB3 HIS A 45 6.162 6.405 8.933 1.00 0.00 H new ATOM 0 HD2 HIS A 45 7.784 4.325 9.569 1.00 0.00 H new ATOM 0 HE1 HIS A 45 8.195 5.088 13.721 1.00 0.00 H new ATOM 0 HE2 HIS A 45 8.901 3.572 11.801 1.00 0.00 H new ATOM 663 N PHE A 46 7.261 8.757 7.908 1.00 0.00 N ATOM 664 CA PHE A 46 8.306 9.103 6.951 1.00 0.00 C ATOM 665 C PHE A 46 9.068 10.346 7.403 1.00 0.00 C ATOM 666 O PHE A 46 10.289 10.421 7.270 1.00 0.00 O ATOM 667 CB PHE A 46 7.702 9.337 5.565 1.00 0.00 C ATOM 668 CG PHE A 46 8.650 9.990 4.601 1.00 0.00 C ATOM 669 CD1 PHE A 46 9.844 9.376 4.259 1.00 0.00 C ATOM 670 CD2 PHE A 46 8.347 11.218 4.036 1.00 0.00 C ATOM 671 CE1 PHE A 46 10.719 9.974 3.371 1.00 0.00 C ATOM 672 CE2 PHE A 46 9.217 11.821 3.147 1.00 0.00 C ATOM 673 CZ PHE A 46 10.405 11.199 2.816 1.00 0.00 C ATOM 0 H PHE A 46 6.328 8.677 7.503 1.00 0.00 H new ATOM 0 HA PHE A 46 9.005 8.269 6.898 1.00 0.00 H new ATOM 0 HB2 PHE A 46 7.378 8.381 5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.813 9.959 5.665 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.094 8.419 4.691 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.420 11.710 4.293 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.646 9.484 3.112 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.968 12.778 2.712 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.087 11.670 2.124 1.00 0.00 H new ATOM 683 N ARG A 47 8.336 11.318 7.939 1.00 0.00 N ATOM 684 CA ARG A 47 8.941 12.558 8.409 1.00 0.00 C ATOM 685 C ARG A 47 10.022 12.276 9.449 1.00 0.00 C ATOM 686 O ARG A 47 11.159 12.727 9.315 1.00 0.00 O ATOM 687 CB ARG A 47 7.873 13.478 9.004 1.00 0.00 C ATOM 688 CG ARG A 47 7.034 14.193 7.958 1.00 0.00 C ATOM 689 CD ARG A 47 6.210 15.312 8.575 1.00 0.00 C ATOM 690 NE ARG A 47 6.993 16.533 8.755 1.00 0.00 N ATOM 691 CZ ARG A 47 6.473 17.754 8.696 1.00 0.00 C ATOM 692 NH1 ARG A 47 5.178 17.917 8.464 1.00 0.00 N ATOM 693 NH2 ARG A 47 7.250 18.815 8.870 1.00 0.00 N ATOM 0 H ARG A 47 7.324 11.270 8.058 1.00 0.00 H new ATOM 0 HA ARG A 47 9.403 13.054 7.555 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.216 12.891 9.645 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.357 14.220 9.638 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.685 14.602 7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.371 13.478 7.470 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.351 15.523 7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.820 14.986 9.539 1.00 0.00 H new ATOM 0 HE ARG A 47 7.993 16.443 8.936 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.578 17.103 8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.782 18.856 8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.247 18.693 9.049 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.851 19.752 8.825 1.00 0.00 H new ATOM 707 N ALA A 48 9.657 11.528 10.485 1.00 0.00 N ATOM 708 CA ALA A 48 10.595 11.184 11.547 1.00 0.00 C ATOM 709 C ALA A 48 11.647 10.197 11.052 1.00 0.00 C ATOM 710 O ALA A 48 12.846 10.471 11.106 1.00 0.00 O ATOM 711 CB ALA A 48 9.851 10.610 12.743 1.00 0.00 C ATOM 0 H ALA A 48 8.719 11.149 10.612 1.00 0.00 H new ATOM 0 HA ALA A 48 11.107 12.096 11.855 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.564 10.358 13.528 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.143 11.348 13.119 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.312 9.712 12.440 1.00 0.00 H new ATOM 717 N THR A 49 11.190 9.045 10.570 1.00 0.00 N ATOM 718 CA THR A 49 12.091 8.016 10.068 1.00 0.00 C ATOM 719 C THR A 49 11.887 7.787 8.575 1.00 0.00 C ATOM 720 O THR A 49 10.812 7.388 8.125 1.00 0.00 O ATOM 721 CB THR A 49 11.892 6.682 10.812 1.00 0.00 C ATOM 722 OG1 THR A 49 12.655 5.649 10.180 1.00 0.00 O ATOM 723 CG2 THR A 49 10.422 6.291 10.837 1.00 0.00 C ATOM 0 H THR A 49 10.201 8.802 10.517 1.00 0.00 H new ATOM 0 HA THR A 49 13.106 8.373 10.243 1.00 0.00 H new ATOM 0 HB THR A 49 12.236 6.809 11.839 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.524 4.805 10.660 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.306 5.346 11.367 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.848 7.066 11.346 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.057 6.181 9.816 1.00 0.00 H new ATOM 731 N PRO A 50 12.941 8.043 7.786 1.00 0.00 N ATOM 732 CA PRO A 50 12.902 7.870 6.331 1.00 0.00 C ATOM 733 C PRO A 50 12.829 6.402 5.923 1.00 0.00 C ATOM 734 O PRO A 50 12.850 6.077 4.736 1.00 0.00 O ATOM 735 CB PRO A 50 14.221 8.490 5.864 1.00 0.00 C ATOM 736 CG PRO A 50 15.129 8.378 7.040 1.00 0.00 C ATOM 737 CD PRO A 50 14.253 8.520 8.254 1.00 0.00 C ATOM 0 HA PRO A 50 12.019 8.332 5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 50 14.624 7.960 5.001 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.086 9.530 5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.648 7.419 7.043 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.894 9.154 7.018 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.623 7.924 9.088 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.206 9.554 8.597 1.00 0.00 H new ATOM 745 N ARG A 51 12.742 5.521 6.914 1.00 0.00 N ATOM 746 CA ARG A 51 12.667 4.088 6.658 1.00 0.00 C ATOM 747 C ARG A 51 11.316 3.528 7.094 1.00 0.00 C ATOM 748 O ARG A 51 10.516 4.224 7.721 1.00 0.00 O ATOM 749 CB ARG A 51 13.794 3.357 7.389 1.00 0.00 C ATOM 750 CG ARG A 51 15.176 3.913 7.087 1.00 0.00 C ATOM 751 CD ARG A 51 16.264 2.895 7.390 1.00 0.00 C ATOM 752 NE ARG A 51 17.566 3.528 7.590 1.00 0.00 N ATOM 753 CZ ARG A 51 18.608 2.909 8.131 1.00 0.00 C ATOM 754 NH1 ARG A 51 18.503 1.647 8.526 1.00 0.00 N ATOM 755 NH2 ARG A 51 19.760 3.551 8.280 1.00 0.00 N ATOM 0 H ARG A 51 12.722 5.775 7.902 1.00 0.00 H new ATOM 0 HA ARG A 51 12.778 3.930 5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 51 13.616 3.413 8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.768 2.302 7.116 1.00 0.00 H new ATOM 0 HG2 ARG A 51 15.231 4.205 6.038 1.00 0.00 H new ATOM 0 HG3 ARG A 51 15.344 4.814 7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.994 2.331 8.283 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.331 2.180 6.570 1.00 0.00 H new ATOM 0 HE ARG A 51 17.680 4.499 7.298 1.00 0.00 H new ATOM 0 HH11 ARG A 51 17.620 1.149 8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 51 19.306 1.174 8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 51 19.846 4.522 7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 51 20.560 3.074 8.696 1.00 0.00 H new ATOM 769 N CYS A 52 11.068 2.266 6.758 1.00 0.00 N ATOM 770 CA CYS A 52 9.815 1.612 7.114 1.00 0.00 C ATOM 771 C CYS A 52 9.665 1.511 8.629 1.00 0.00 C ATOM 772 O CYS A 52 10.599 1.801 9.377 1.00 0.00 O ATOM 773 CB CYS A 52 9.749 0.217 6.490 1.00 0.00 C ATOM 774 SG CYS A 52 8.077 -0.508 6.465 1.00 0.00 S ATOM 0 H CYS A 52 11.719 1.676 6.239 1.00 0.00 H new ATOM 0 HA CYS A 52 8.995 2.216 6.725 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.126 0.269 5.469 1.00 0.00 H new ATOM 0 HB3 CYS A 52 10.414 -0.448 7.042 1.00 0.00 H new ATOM 779 N TYR A 53 8.483 1.098 9.075 1.00 0.00 N ATOM 780 CA TYR A 53 8.210 0.961 10.501 1.00 0.00 C ATOM 781 C TYR A 53 8.300 -0.499 10.934 1.00 0.00 C ATOM 782 O TYR A 53 8.560 -0.797 12.101 1.00 0.00 O ATOM 783 CB TYR A 53 6.824 1.518 10.831 1.00 0.00 C ATOM 784 CG TYR A 53 6.337 1.148 12.214 1.00 0.00 C ATOM 785 CD1 TYR A 53 6.701 1.900 13.324 1.00 0.00 C ATOM 786 CD2 TYR A 53 5.513 0.047 12.410 1.00 0.00 C ATOM 787 CE1 TYR A 53 6.259 1.566 14.590 1.00 0.00 C ATOM 788 CE2 TYR A 53 5.065 -0.294 13.672 1.00 0.00 C ATOM 789 CZ TYR A 53 5.441 0.468 14.758 1.00 0.00 C ATOM 790 OH TYR A 53 4.998 0.131 16.016 1.00 0.00 O ATOM 0 H TYR A 53 7.699 0.853 8.470 1.00 0.00 H new ATOM 0 HA TYR A 53 8.963 1.530 11.047 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.847 2.604 10.741 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.110 1.153 10.093 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.341 2.761 13.195 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.217 -0.553 11.562 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.552 2.161 15.442 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.424 -1.153 13.807 1.00 0.00 H new ATOM 0 HH TYR A 53 4.431 -0.666 15.960 1.00 0.00 H new ATOM 800 N ILE A 54 8.084 -1.405 9.987 1.00 0.00 N ATOM 801 CA ILE A 54 8.142 -2.834 10.270 1.00 0.00 C ATOM 802 C ILE A 54 9.490 -3.420 9.865 1.00 0.00 C ATOM 803 O ILE A 54 10.198 -4.004 10.686 1.00 0.00 O ATOM 804 CB ILE A 54 7.022 -3.599 9.539 1.00 0.00 C ATOM 805 CG1 ILE A 54 5.676 -3.349 10.221 1.00 0.00 C ATOM 806 CG2 ILE A 54 7.335 -5.087 9.501 1.00 0.00 C ATOM 807 CD1 ILE A 54 4.504 -3.965 9.488 1.00 0.00 C ATOM 0 H ILE A 54 7.867 -1.175 9.017 1.00 0.00 H new ATOM 0 HA ILE A 54 8.007 -2.948 11.346 1.00 0.00 H new ATOM 0 HB ILE A 54 6.962 -3.234 8.514 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.711 -3.749 11.234 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.516 -2.274 10.308 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.535 -5.614 8.981 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.276 -5.248 8.975 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.419 -5.467 10.519 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.582 -3.748 10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.443 -3.547 8.483 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.641 -5.044 9.424 1.00 0.00 H new ATOM 819 N CYS A 55 9.842 -3.259 8.593 1.00 0.00 N ATOM 820 CA CYS A 55 11.106 -3.770 8.078 1.00 0.00 C ATOM 821 C CYS A 55 12.211 -2.728 8.218 1.00 0.00 C ATOM 822 O CYS A 55 13.392 -3.032 8.043 1.00 0.00 O ATOM 823 CB CYS A 55 10.955 -4.176 6.611 1.00 0.00 C ATOM 824 SG CYS A 55 10.572 -2.791 5.491 1.00 0.00 S ATOM 0 H CYS A 55 9.268 -2.778 7.900 1.00 0.00 H new ATOM 0 HA CYS A 55 11.382 -4.647 8.664 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.878 -4.652 6.280 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.165 -4.923 6.531 1.00 0.00 H new ATOM 829 N ASP A 56 11.821 -1.498 8.534 1.00 0.00 N ATOM 830 CA ASP A 56 12.778 -0.410 8.699 1.00 0.00 C ATOM 831 C ASP A 56 13.710 -0.319 7.494 1.00 0.00 C ATOM 832 O ASP A 56 14.927 -0.217 7.647 1.00 0.00 O ATOM 833 CB ASP A 56 13.594 -0.609 9.977 1.00 0.00 C ATOM 834 CG ASP A 56 12.886 -0.072 11.205 1.00 0.00 C ATOM 835 OD1 ASP A 56 12.044 -0.799 11.770 1.00 0.00 O ATOM 836 OD2 ASP A 56 13.175 1.078 11.601 1.00 0.00 O ATOM 0 H ASP A 56 10.848 -1.229 8.681 1.00 0.00 H new ATOM 0 HA ASP A 56 12.220 0.523 8.776 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.797 -1.671 10.113 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.558 -0.112 9.870 1.00 0.00 H new ATOM 841 N GLN A 57 13.130 -0.359 6.299 1.00 0.00 N ATOM 842 CA GLN A 57 13.910 -0.283 5.069 1.00 0.00 C ATOM 843 C GLN A 57 13.795 1.100 4.436 1.00 0.00 C ATOM 844 O GLN A 57 12.844 1.843 4.679 1.00 0.00 O ATOM 845 CB GLN A 57 13.444 -1.351 4.079 1.00 0.00 C ATOM 846 CG GLN A 57 14.019 -2.731 4.357 1.00 0.00 C ATOM 847 CD GLN A 57 14.197 -3.554 3.096 1.00 0.00 C ATOM 848 OE1 GLN A 57 13.365 -3.291 2.095 1.00 0.00 O flip ATOM 849 NE2 GLN A 57 15.072 -4.418 3.023 1.00 0.00 N flip ATOM 0 H GLN A 57 12.124 -0.444 6.156 1.00 0.00 H new ATOM 0 HA GLN A 57 14.956 -0.461 5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.356 -1.408 4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.724 -1.046 3.070 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.982 -2.625 4.856 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.361 -3.263 5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.690 -4.587 3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.179 -4.965 2.169 1.00 0.00 H new ATOM 858 N PRO A 58 14.785 1.454 3.604 1.00 0.00 N ATOM 859 CA PRO A 58 14.817 2.749 2.918 1.00 0.00 C ATOM 860 C PRO A 58 13.741 2.864 1.844 1.00 0.00 C ATOM 861 O PRO A 58 13.897 2.348 0.736 1.00 0.00 O ATOM 862 CB PRO A 58 16.210 2.781 2.285 1.00 0.00 C ATOM 863 CG PRO A 58 16.582 1.349 2.116 1.00 0.00 C ATOM 864 CD PRO A 58 15.949 0.618 3.268 1.00 0.00 C ATOM 0 HA PRO A 58 14.625 3.576 3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.198 3.303 1.328 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.923 3.303 2.923 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.222 0.962 1.163 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.665 1.224 2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.651 -0.392 2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.634 0.526 4.111 1.00 0.00 H new ATOM 872 N THR A 59 12.647 3.542 2.177 1.00 0.00 N ATOM 873 CA THR A 59 11.545 3.723 1.241 1.00 0.00 C ATOM 874 C THR A 59 11.869 4.799 0.212 1.00 0.00 C ATOM 875 O THR A 59 11.346 4.784 -0.902 1.00 0.00 O ATOM 876 CB THR A 59 10.244 4.104 1.973 1.00 0.00 C ATOM 877 OG1 THR A 59 10.426 5.330 2.690 1.00 0.00 O ATOM 878 CG2 THR A 59 9.823 3.004 2.936 1.00 0.00 C ATOM 0 H THR A 59 12.501 3.975 3.089 1.00 0.00 H new ATOM 0 HA THR A 59 11.402 2.769 0.733 1.00 0.00 H new ATOM 0 HB THR A 59 9.458 4.233 1.228 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.594 5.566 3.151 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.902 3.295 3.441 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.656 2.080 2.382 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.608 2.847 3.675 1.00 0.00 H new ATOM 886 N GLY A 60 12.737 5.733 0.591 1.00 0.00 N ATOM 887 CA GLY A 60 13.116 6.804 -0.312 1.00 0.00 C ATOM 888 C GLY A 60 11.942 7.685 -0.692 1.00 0.00 C ATOM 889 O GLY A 60 11.964 8.347 -1.729 1.00 0.00 O ATOM 0 H GLY A 60 13.184 5.767 1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.888 7.415 0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.553 6.377 -1.215 1.00 0.00 H new ATOM 893 N GLY A 61 10.913 7.692 0.149 1.00 0.00 N ATOM 894 CA GLY A 61 9.739 8.501 -0.122 1.00 0.00 C ATOM 895 C GLY A 61 8.893 7.936 -1.246 1.00 0.00 C ATOM 896 O GLY A 61 8.326 8.686 -2.042 1.00 0.00 O ATOM 0 H GLY A 61 10.871 7.152 1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.135 8.574 0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.051 9.513 -0.379 1.00 0.00 H new ATOM 900 N ILE A 62 8.809 6.612 -1.314 1.00 0.00 N ATOM 901 CA ILE A 62 8.028 5.948 -2.349 1.00 0.00 C ATOM 902 C ILE A 62 6.810 5.249 -1.755 1.00 0.00 C ATOM 903 O ILE A 62 6.930 4.456 -0.821 1.00 0.00 O ATOM 904 CB ILE A 62 8.873 4.916 -3.118 1.00 0.00 C ATOM 905 CG1 ILE A 62 10.114 5.584 -3.715 1.00 0.00 C ATOM 906 CG2 ILE A 62 8.042 4.258 -4.210 1.00 0.00 C ATOM 907 CD1 ILE A 62 11.118 4.602 -4.277 1.00 0.00 C ATOM 0 H ILE A 62 9.273 5.978 -0.664 1.00 0.00 H new ATOM 0 HA ILE A 62 7.698 6.723 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 62 9.198 4.143 -2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.804 6.267 -4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.598 6.186 -2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.654 3.531 -4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.187 3.753 -3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.690 5.018 -4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.971 5.146 -4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 62 11.457 3.935 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.651 4.017 -5.069 1.00 0.00 H new ATOM 919 N PHE A 63 5.637 5.547 -2.304 1.00 0.00 N ATOM 920 CA PHE A 63 4.396 4.946 -1.830 1.00 0.00 C ATOM 921 C PHE A 63 3.395 4.791 -2.971 1.00 0.00 C ATOM 922 O PHE A 63 3.025 5.766 -3.623 1.00 0.00 O ATOM 923 CB PHE A 63 3.786 5.798 -0.714 1.00 0.00 C ATOM 924 CG PHE A 63 4.711 6.014 0.449 1.00 0.00 C ATOM 925 CD1 PHE A 63 4.911 5.015 1.388 1.00 0.00 C ATOM 926 CD2 PHE A 63 5.382 7.217 0.603 1.00 0.00 C ATOM 927 CE1 PHE A 63 5.761 5.212 2.459 1.00 0.00 C ATOM 928 CE2 PHE A 63 6.235 7.419 1.672 1.00 0.00 C ATOM 929 CZ PHE A 63 6.425 6.415 2.601 1.00 0.00 C ATOM 0 H PHE A 63 5.520 6.201 -3.078 1.00 0.00 H new ATOM 0 HA PHE A 63 4.628 3.956 -1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.498 6.766 -1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.874 5.318 -0.358 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.396 4.071 1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.237 8.006 -0.120 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.906 4.426 3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.752 8.361 1.780 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.091 6.570 3.437 1.00 0.00 H new ATOM 939 N ASN A 64 2.961 3.557 -3.206 1.00 0.00 N ATOM 940 CA ASN A 64 2.004 3.273 -4.269 1.00 0.00 C ATOM 941 C ASN A 64 0.617 3.001 -3.695 1.00 0.00 C ATOM 942 O ASN A 64 0.467 2.443 -2.607 1.00 0.00 O ATOM 943 CB ASN A 64 2.471 2.072 -5.096 1.00 0.00 C ATOM 944 CG ASN A 64 3.914 2.204 -5.544 1.00 0.00 C ATOM 945 OD1 ASN A 64 4.198 2.765 -6.602 1.00 0.00 O ATOM 946 ND2 ASN A 64 4.833 1.686 -4.737 1.00 0.00 N ATOM 0 H ASN A 64 3.257 2.738 -2.675 1.00 0.00 H new ATOM 0 HA ASN A 64 1.945 4.150 -4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.358 1.162 -4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.830 1.966 -5.971 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.821 1.744 -4.985 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.551 1.230 -3.869 1.00 0.00 H new ATOM 953 N PRO A 65 -0.422 3.402 -4.442 1.00 0.00 N ATOM 954 CA PRO A 65 -1.815 3.212 -4.028 1.00 0.00 C ATOM 955 C PRO A 65 -2.233 1.746 -4.059 1.00 0.00 C ATOM 956 O PRO A 65 -2.254 1.118 -5.117 1.00 0.00 O ATOM 957 CB PRO A 65 -2.606 4.015 -5.063 1.00 0.00 C ATOM 958 CG PRO A 65 -1.728 4.051 -6.266 1.00 0.00 C ATOM 959 CD PRO A 65 -0.317 4.073 -5.748 1.00 0.00 C ATOM 0 HA PRO A 65 -1.982 3.534 -3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.562 3.541 -5.285 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.824 5.020 -4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.898 3.180 -6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.934 4.932 -6.874 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.365 3.547 -6.416 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.058 5.091 -5.647 1.00 0.00 H new ATOM 967 N ALA A 66 -2.567 1.205 -2.891 1.00 0.00 N ATOM 968 CA ALA A 66 -2.987 -0.186 -2.785 1.00 0.00 C ATOM 969 C ALA A 66 -4.507 -0.306 -2.836 1.00 0.00 C ATOM 970 O ALA A 66 -5.106 -1.066 -2.075 1.00 0.00 O ATOM 971 CB ALA A 66 -2.450 -0.804 -1.503 1.00 0.00 C ATOM 0 H ALA A 66 -2.554 1.710 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.577 -0.729 -3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.772 -1.843 -1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.361 -0.761 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.832 -0.251 -0.645 1.00 0.00 H new ATOM 977 N LYS A 67 -5.125 0.450 -3.737 1.00 0.00 N ATOM 978 CA LYS A 67 -6.575 0.429 -3.888 1.00 0.00 C ATOM 979 C LYS A 67 -7.081 -0.997 -4.086 1.00 0.00 C ATOM 980 O LYS A 67 -8.098 -1.388 -3.515 1.00 0.00 O ATOM 981 CB LYS A 67 -6.998 1.300 -5.073 1.00 0.00 C ATOM 982 CG LYS A 67 -6.797 2.787 -4.837 1.00 0.00 C ATOM 983 CD LYS A 67 -7.985 3.403 -4.118 1.00 0.00 C ATOM 984 CE LYS A 67 -9.108 3.743 -5.086 1.00 0.00 C ATOM 985 NZ LYS A 67 -9.993 4.816 -4.554 1.00 0.00 N ATOM 0 H LYS A 67 -4.644 1.085 -4.374 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.016 0.829 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.431 1.001 -5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.049 1.114 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.893 2.944 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.647 3.291 -5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.353 2.710 -3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.668 4.306 -3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.683 4.061 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.700 2.849 -5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.745 5.019 -5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.419 4.503 -3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.434 5.677 -4.389 1.00 0.00 H new ATOM 999 N GLU A 68 -6.363 -1.768 -4.897 1.00 0.00 N ATOM 1000 CA GLU A 68 -6.740 -3.150 -5.168 1.00 0.00 C ATOM 1001 C GLU A 68 -6.795 -3.962 -3.877 1.00 0.00 C ATOM 1002 O GLU A 68 -7.846 -4.485 -3.503 1.00 0.00 O ATOM 1003 CB GLU A 68 -5.751 -3.789 -6.145 1.00 0.00 C ATOM 1004 CG GLU A 68 -6.100 -3.556 -7.605 1.00 0.00 C ATOM 1005 CD GLU A 68 -4.932 -3.823 -8.534 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -3.774 -3.718 -8.077 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -5.176 -4.136 -9.718 1.00 0.00 O ATOM 0 H GLU A 68 -5.518 -1.459 -5.377 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.733 -3.148 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.754 -3.393 -5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.710 -4.862 -5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.935 -4.200 -7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.435 -2.527 -7.735 1.00 0.00 H new ATOM 1014 N LEU A 69 -5.656 -4.064 -3.201 1.00 0.00 N ATOM 1015 CA LEU A 69 -5.573 -4.813 -1.952 1.00 0.00 C ATOM 1016 C LEU A 69 -6.866 -4.686 -1.154 1.00 0.00 C ATOM 1017 O LEU A 69 -7.450 -5.686 -0.737 1.00 0.00 O ATOM 1018 CB LEU A 69 -4.392 -4.317 -1.115 1.00 0.00 C ATOM 1019 CG LEU A 69 -4.368 -4.770 0.345 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -3.803 -6.177 0.459 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -3.558 -3.798 1.191 1.00 0.00 C ATOM 0 H LEU A 69 -4.778 -3.638 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.421 -5.864 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.470 -4.648 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.389 -3.227 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.392 -4.781 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.794 -6.482 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.424 -6.866 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.786 -6.193 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.551 -4.136 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.535 -3.755 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.007 -2.806 1.136 1.00 0.00 H new ATOM 1033 N MET A 70 -7.308 -3.450 -0.946 1.00 0.00 N ATOM 1034 CA MET A 70 -8.535 -3.193 -0.200 1.00 0.00 C ATOM 1035 C MET A 70 -9.735 -3.835 -0.889 1.00 0.00 C ATOM 1036 O MET A 70 -10.433 -4.660 -0.300 1.00 0.00 O ATOM 1037 CB MET A 70 -8.761 -1.687 -0.053 1.00 0.00 C ATOM 1038 CG MET A 70 -7.685 -0.987 0.760 1.00 0.00 C ATOM 1039 SD MET A 70 -7.558 -1.626 2.441 1.00 0.00 S ATOM 1040 CE MET A 70 -6.042 -2.573 2.330 1.00 0.00 C ATOM 0 H MET A 70 -6.835 -2.611 -1.283 1.00 0.00 H new ATOM 0 HA MET A 70 -8.428 -3.635 0.790 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.806 -1.236 -1.044 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.729 -1.518 0.419 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.724 -1.102 0.258 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.900 0.081 0.797 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.733 -2.883 3.328 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.208 -3.455 1.711 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.261 -1.958 1.883 1.00 0.00 H new ATOM 1050 N ALA A 71 -9.968 -3.451 -2.140 1.00 0.00 N ATOM 1051 CA ALA A 71 -11.083 -3.991 -2.909 1.00 0.00 C ATOM 1052 C ALA A 71 -11.274 -5.478 -2.628 1.00 0.00 C ATOM 1053 O ALA A 71 -12.396 -5.942 -2.419 1.00 0.00 O ATOM 1054 CB ALA A 71 -10.860 -3.757 -4.396 1.00 0.00 C ATOM 0 H ALA A 71 -9.400 -2.769 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.990 -3.471 -2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.700 -4.165 -4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.780 -2.687 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.940 -4.251 -4.708 1.00 0.00 H new ATOM 1060 N LYS A 72 -10.173 -6.221 -2.625 1.00 0.00 N ATOM 1061 CA LYS A 72 -10.219 -7.656 -2.370 1.00 0.00 C ATOM 1062 C LYS A 72 -10.824 -7.946 -1.000 1.00 0.00 C ATOM 1063 O LYS A 72 -11.795 -8.694 -0.885 1.00 0.00 O ATOM 1064 CB LYS A 72 -8.813 -8.255 -2.456 1.00 0.00 C ATOM 1065 CG LYS A 72 -8.239 -8.262 -3.862 1.00 0.00 C ATOM 1066 CD LYS A 72 -6.732 -8.454 -3.849 1.00 0.00 C ATOM 1067 CE LYS A 72 -6.359 -9.926 -3.760 1.00 0.00 C ATOM 1068 NZ LYS A 72 -6.508 -10.616 -5.072 1.00 0.00 N ATOM 0 H LYS A 72 -9.237 -5.853 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.850 -8.115 -3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.147 -7.691 -1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.839 -9.277 -2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.703 -9.060 -4.441 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.483 -7.324 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.301 -8.022 -4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.303 -7.917 -3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.329 -10.020 -3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.989 -10.416 -3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.212 -11.609 -4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.503 -10.578 -5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.913 -10.143 -5.782 1.00 0.00 H new ATOM 1082 N LEU A 73 -10.245 -7.349 0.035 1.00 0.00 N ATOM 1083 CA LEU A 73 -10.728 -7.541 1.398 1.00 0.00 C ATOM 1084 C LEU A 73 -12.240 -7.358 1.471 1.00 0.00 C ATOM 1085 O LEU A 73 -12.961 -8.244 1.927 1.00 0.00 O ATOM 1086 CB LEU A 73 -10.038 -6.562 2.349 1.00 0.00 C ATOM 1087 CG LEU A 73 -8.512 -6.647 2.409 1.00 0.00 C ATOM 1088 CD1 LEU A 73 -7.925 -5.344 2.927 1.00 0.00 C ATOM 1089 CD2 LEU A 73 -8.077 -7.815 3.282 1.00 0.00 C ATOM 0 H LEU A 73 -9.440 -6.728 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.489 -8.560 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.314 -5.548 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.431 -6.724 3.353 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.136 -6.814 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.838 -5.423 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.208 -4.528 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.307 -5.145 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.988 -7.860 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.464 -7.678 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.467 -8.744 2.867 1.00 0.00 H new ATOM 1101 N GLN A 74 -12.713 -6.202 1.016 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.141 -5.903 1.028 1.00 0.00 C ATOM 1103 C GLN A 74 -14.446 -4.672 0.182 1.00 0.00 C ATOM 1104 O GLN A 74 -13.572 -3.839 -0.061 1.00 0.00 O ATOM 1105 CB GLN A 74 -14.625 -5.684 2.462 1.00 0.00 C ATOM 1106 CG GLN A 74 -16.106 -5.970 2.654 1.00 0.00 C ATOM 1107 CD GLN A 74 -16.428 -7.450 2.593 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -16.194 -8.106 1.577 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -16.968 -7.984 3.682 1.00 0.00 N ATOM 0 H GLN A 74 -12.129 -5.458 0.635 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.669 -6.755 0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.050 -6.323 3.132 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.422 -4.653 2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.427 -5.572 3.616 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.676 -5.446 1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -17.144 -7.403 4.501 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -17.206 -8.976 3.699 1.00 0.00 H new ATOM 1118 N LYS A 75 -15.692 -4.562 -0.266 1.00 0.00 N ATOM 1119 CA LYS A 75 -16.115 -3.432 -1.084 1.00 0.00 C ATOM 1120 C LYS A 75 -17.614 -3.186 -0.941 1.00 0.00 C ATOM 1121 O LYS A 75 -18.402 -4.128 -0.866 1.00 0.00 O ATOM 1122 CB LYS A 75 -15.767 -3.681 -2.553 1.00 0.00 C ATOM 1123 CG LYS A 75 -16.401 -4.938 -3.124 1.00 0.00 C ATOM 1124 CD LYS A 75 -15.531 -6.160 -2.881 1.00 0.00 C ATOM 1125 CE LYS A 75 -16.241 -7.441 -3.294 1.00 0.00 C ATOM 1126 NZ LYS A 75 -15.297 -8.586 -3.409 1.00 0.00 N ATOM 0 H LYS A 75 -16.427 -5.243 -0.076 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.585 -2.546 -0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -16.086 -2.823 -3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.684 -3.752 -2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.380 -5.091 -2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.562 -4.812 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.600 -6.062 -3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.265 -6.214 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.014 -7.680 -2.563 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.742 -7.286 -4.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.819 -9.440 -3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.574 -8.369 -4.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.837 -8.750 -2.491 1.00 0.00 H new ATOM 1140 N SER A 76 -18.000 -1.915 -0.904 1.00 0.00 N ATOM 1141 CA SER A 76 -19.404 -1.546 -0.767 1.00 0.00 C ATOM 1142 C SER A 76 -20.017 -1.229 -2.128 1.00 0.00 C ATOM 1143 O SER A 76 -21.103 -1.705 -2.458 1.00 0.00 O ATOM 1144 CB SER A 76 -19.548 -0.340 0.163 1.00 0.00 C ATOM 1145 OG SER A 76 -20.848 -0.281 0.724 1.00 0.00 O ATOM 0 H SER A 76 -17.360 -1.123 -0.967 1.00 0.00 H new ATOM 0 HA SER A 76 -19.937 -2.394 -0.336 1.00 0.00 H new ATOM 0 HB2 SER A 76 -18.807 -0.401 0.960 1.00 0.00 H new ATOM 0 HB3 SER A 76 -19.346 0.577 -0.391 1.00 0.00 H new ATOM 0 HG SER A 76 -20.914 0.497 1.316 1.00 0.00 H new ATOM 1151 N GLY A 77 -19.313 -0.420 -2.914 1.00 0.00 N ATOM 1152 CA GLY A 77 -19.803 -0.052 -4.229 1.00 0.00 C ATOM 1153 C GLY A 77 -19.805 1.448 -4.449 1.00 0.00 C ATOM 1154 O GLY A 77 -20.781 2.138 -4.155 1.00 0.00 O ATOM 0 H GLY A 77 -18.412 -0.013 -2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.184 -0.527 -4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -20.815 -0.436 -4.357 1.00 0.00 H new ATOM 1158 N PRO A 78 -18.690 1.974 -4.977 1.00 0.00 N ATOM 1159 CA PRO A 78 -18.541 3.407 -5.246 1.00 0.00 C ATOM 1160 C PRO A 78 -19.424 3.875 -6.398 1.00 0.00 C ATOM 1161 O PRO A 78 -19.137 3.602 -7.563 1.00 0.00 O ATOM 1162 CB PRO A 78 -17.062 3.547 -5.615 1.00 0.00 C ATOM 1163 CG PRO A 78 -16.671 2.204 -6.129 1.00 0.00 C ATOM 1164 CD PRO A 78 -17.488 1.209 -5.352 1.00 0.00 C ATOM 0 HA PRO A 78 -18.841 4.015 -4.393 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.914 4.319 -6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -16.463 3.829 -4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.870 2.122 -7.198 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.605 2.028 -5.989 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -17.739 0.336 -5.955 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -16.952 0.847 -4.475 1.00 0.00 H new ATOM 1172 N SER A 79 -20.499 4.581 -6.063 1.00 0.00 N ATOM 1173 CA SER A 79 -21.427 5.085 -7.070 1.00 0.00 C ATOM 1174 C SER A 79 -21.743 6.558 -6.829 1.00 0.00 C ATOM 1175 O SER A 79 -22.425 6.908 -5.865 1.00 0.00 O ATOM 1176 CB SER A 79 -22.719 4.265 -7.059 1.00 0.00 C ATOM 1177 OG SER A 79 -22.508 2.973 -7.602 1.00 0.00 O ATOM 0 H SER A 79 -20.749 4.817 -5.103 1.00 0.00 H new ATOM 0 HA SER A 79 -20.953 4.989 -8.047 1.00 0.00 H new ATOM 0 HB2 SER A 79 -23.089 4.178 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 79 -23.487 4.783 -7.633 1.00 0.00 H new ATOM 0 HG SER A 79 -23.348 2.469 -7.582 1.00 0.00 H new ATOM 1183 N SER A 80 -21.243 7.416 -7.712 1.00 0.00 N ATOM 1184 CA SER A 80 -21.468 8.852 -7.594 1.00 0.00 C ATOM 1185 C SER A 80 -22.871 9.222 -8.065 1.00 0.00 C ATOM 1186 O SER A 80 -23.304 8.816 -9.143 1.00 0.00 O ATOM 1187 CB SER A 80 -20.425 9.622 -8.406 1.00 0.00 C ATOM 1188 OG SER A 80 -19.111 9.230 -8.050 1.00 0.00 O ATOM 0 H SER A 80 -20.680 7.142 -8.517 1.00 0.00 H new ATOM 0 HA SER A 80 -21.373 9.125 -6.543 1.00 0.00 H new ATOM 0 HB2 SER A 80 -20.585 9.446 -9.470 1.00 0.00 H new ATOM 0 HB3 SER A 80 -20.547 10.692 -8.239 1.00 0.00 H new ATOM 0 HG SER A 80 -18.463 9.735 -8.584 1.00 0.00 H new ATOM 1194 N GLY A 81 -23.578 9.997 -7.248 1.00 0.00 N ATOM 1195 CA GLY A 81 -24.925 10.410 -7.598 1.00 0.00 C ATOM 1196 C GLY A 81 -25.984 9.534 -6.958 1.00 0.00 C ATOM 1197 O GLY A 81 -26.002 9.414 -5.734 1.00 0.00 O ATOM 0 H GLY A 81 -23.242 10.346 -6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -25.077 11.444 -7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -25.041 10.382 -8.681 1.00 0.00 H new TER 1201 GLY A 81 HETATM 1202 ZN ZN A 201 -2.011 3.489 10.880 1.00 0.00 ZN HETATM 1203 ZN ZN A 401 8.300 -2.411 5.145 1.00 0.00 ZN