USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 563 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 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 47 THR OG1 : rot -120:sc= -0.134 USER MOD Set 1.2: A 72 GLN : amide:sc= -0.243 K(o=-0.38,f=1.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.0489 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00535) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.18) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 29 GLN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.408 K(o=-0.41,f=-1.5) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.39) USER MOD Single : A 49 SER OG : rot -56:sc= 0.595 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 150:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc=-0.00169 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.0037) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.626 -3.842 -47.580 1.00 0.00 N ATOM 2 CA GLY A 1 -11.948 -3.587 -46.323 1.00 0.00 C ATOM 3 C GLY A 1 -12.398 -4.525 -45.221 1.00 0.00 C ATOM 4 O GLY A 1 -13.593 -4.765 -45.050 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.284 -3.175 -48.301 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.430 -4.816 -47.889 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.651 -3.718 -47.453 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.872 -3.690 -46.467 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.132 -2.557 -46.017 1.00 0.00 H new ATOM 8 N SER A 2 -11.438 -5.060 -44.472 1.00 0.00 N ATOM 9 CA SER A 2 -11.742 -5.982 -43.384 1.00 0.00 C ATOM 10 C SER A 2 -10.746 -5.819 -42.240 1.00 0.00 C ATOM 11 O SER A 2 -9.577 -6.186 -42.363 1.00 0.00 O ATOM 12 CB SER A 2 -11.723 -7.426 -43.890 1.00 0.00 C ATOM 13 OG SER A 2 -12.994 -7.810 -44.384 1.00 0.00 O ATOM 0 H SER A 2 -10.444 -4.871 -44.599 1.00 0.00 H new ATOM 0 HA SER A 2 -12.739 -5.749 -43.011 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.977 -7.529 -44.678 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.427 -8.094 -43.081 1.00 0.00 H new ATOM 0 HG SER A 2 -13.483 -7.015 -44.681 1.00 0.00 H new ATOM 19 N SER A 3 -11.217 -5.265 -41.127 1.00 0.00 N ATOM 20 CA SER A 3 -10.368 -5.049 -39.962 1.00 0.00 C ATOM 21 C SER A 3 -11.198 -5.027 -38.682 1.00 0.00 C ATOM 22 O SER A 3 -12.378 -4.679 -38.700 1.00 0.00 O ATOM 23 CB SER A 3 -9.595 -3.737 -40.104 1.00 0.00 C ATOM 24 OG SER A 3 -8.387 -3.775 -39.364 1.00 0.00 O ATOM 0 H SER A 3 -12.182 -4.958 -41.008 1.00 0.00 H new ATOM 0 HA SER A 3 -9.659 -5.875 -39.901 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.375 -3.552 -41.156 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.212 -2.908 -39.757 1.00 0.00 H new ATOM 0 HG SER A 3 -7.910 -2.926 -39.472 1.00 0.00 H new ATOM 30 N GLY A 4 -10.571 -5.403 -37.571 1.00 0.00 N ATOM 31 CA GLY A 4 -11.266 -5.420 -36.297 1.00 0.00 C ATOM 32 C GLY A 4 -11.118 -6.743 -35.573 1.00 0.00 C ATOM 33 O GLY A 4 -11.564 -7.780 -36.064 1.00 0.00 O ATOM 0 H GLY A 4 -9.595 -5.696 -37.531 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.881 -4.619 -35.666 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.324 -5.216 -36.461 1.00 0.00 H new ATOM 37 N SER A 5 -10.489 -6.709 -34.403 1.00 0.00 N ATOM 38 CA SER A 5 -10.278 -7.917 -33.613 1.00 0.00 C ATOM 39 C SER A 5 -10.073 -7.574 -32.141 1.00 0.00 C ATOM 40 O SER A 5 -9.160 -6.827 -31.788 1.00 0.00 O ATOM 41 CB SER A 5 -9.071 -8.693 -34.141 1.00 0.00 C ATOM 42 OG SER A 5 -8.818 -9.842 -33.351 1.00 0.00 O ATOM 0 H SER A 5 -10.116 -5.858 -33.981 1.00 0.00 H new ATOM 0 HA SER A 5 -11.168 -8.540 -33.702 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.250 -8.990 -35.174 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.192 -8.048 -34.142 1.00 0.00 H new ATOM 0 HG SER A 5 -8.043 -10.322 -33.710 1.00 0.00 H new ATOM 48 N SER A 6 -10.928 -8.124 -31.286 1.00 0.00 N ATOM 49 CA SER A 6 -10.844 -7.875 -29.852 1.00 0.00 C ATOM 50 C SER A 6 -11.271 -9.106 -29.059 1.00 0.00 C ATOM 51 O SER A 6 -11.966 -9.981 -29.576 1.00 0.00 O ATOM 52 CB SER A 6 -11.718 -6.679 -29.468 1.00 0.00 C ATOM 53 OG SER A 6 -11.341 -5.519 -30.189 1.00 0.00 O ATOM 0 H SER A 6 -11.688 -8.746 -31.562 1.00 0.00 H new ATOM 0 HA SER A 6 -9.805 -7.651 -29.609 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.764 -6.911 -29.667 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.631 -6.490 -28.398 1.00 0.00 H new ATOM 0 HG SER A 6 -11.916 -4.770 -29.927 1.00 0.00 H new ATOM 59 N GLY A 7 -10.850 -9.168 -27.800 1.00 0.00 N ATOM 60 CA GLY A 7 -11.198 -10.296 -26.955 1.00 0.00 C ATOM 61 C GLY A 7 -10.178 -10.536 -25.860 1.00 0.00 C ATOM 62 O GLY A 7 -9.072 -11.009 -26.123 1.00 0.00 O ATOM 0 H GLY A 7 -10.274 -8.457 -27.349 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.175 -10.121 -26.505 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.285 -11.193 -27.569 1.00 0.00 H new ATOM 66 N LYS A 8 -10.549 -10.208 -24.627 1.00 0.00 N ATOM 67 CA LYS A 8 -9.659 -10.390 -23.486 1.00 0.00 C ATOM 68 C LYS A 8 -10.378 -11.097 -22.342 1.00 0.00 C ATOM 69 O LYS A 8 -11.560 -10.868 -22.084 1.00 0.00 O ATOM 70 CB LYS A 8 -9.125 -9.037 -23.008 1.00 0.00 C ATOM 71 CG LYS A 8 -7.955 -8.521 -23.828 1.00 0.00 C ATOM 72 CD LYS A 8 -8.427 -7.747 -25.047 1.00 0.00 C ATOM 73 CE LYS A 8 -7.336 -6.833 -25.584 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.144 -7.600 -26.041 1.00 0.00 N ATOM 0 H LYS A 8 -11.460 -9.815 -24.392 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.823 -11.012 -23.806 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.932 -8.305 -23.041 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.817 -9.125 -21.966 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.330 -7.879 -23.208 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.335 -9.359 -24.146 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.734 -8.445 -25.826 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.304 -7.154 -24.786 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.730 -6.246 -26.414 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.038 -6.128 -24.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.438 -6.944 -26.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.732 -8.114 -25.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.429 -8.279 -26.776 1.00 0.00 H new ATOM 88 N PRO A 9 -9.650 -11.977 -21.638 1.00 0.00 N ATOM 89 CA PRO A 9 -10.199 -12.733 -20.509 1.00 0.00 C ATOM 90 C PRO A 9 -10.479 -11.848 -19.299 1.00 0.00 C ATOM 91 O PRO A 9 -9.681 -10.974 -18.960 1.00 0.00 O ATOM 92 CB PRO A 9 -9.094 -13.743 -20.188 1.00 0.00 C ATOM 93 CG PRO A 9 -7.842 -13.103 -20.681 1.00 0.00 C ATOM 94 CD PRO A 9 -8.236 -12.300 -21.890 1.00 0.00 C ATOM 0 HA PRO A 9 -11.157 -13.191 -20.753 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.041 -13.945 -19.118 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.273 -14.697 -20.684 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.402 -12.465 -19.915 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.095 -13.854 -20.938 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.630 -11.400 -21.990 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.112 -12.871 -22.810 1.00 0.00 H new ATOM 102 N ILE A 10 -11.617 -12.081 -18.653 1.00 0.00 N ATOM 103 CA ILE A 10 -12.001 -11.305 -17.480 1.00 0.00 C ATOM 104 C ILE A 10 -11.376 -11.878 -16.213 1.00 0.00 C ATOM 105 O ILE A 10 -11.604 -13.036 -15.863 1.00 0.00 O ATOM 106 CB ILE A 10 -13.531 -11.261 -17.310 1.00 0.00 C ATOM 107 CG1 ILE A 10 -13.914 -10.297 -16.185 1.00 0.00 C ATOM 108 CG2 ILE A 10 -14.072 -12.655 -17.028 1.00 0.00 C ATOM 109 CD1 ILE A 10 -13.566 -8.855 -16.481 1.00 0.00 C ATOM 0 H ILE A 10 -12.288 -12.800 -18.922 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.632 -10.292 -17.638 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.975 -10.901 -18.238 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.986 -10.373 -16.001 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.411 -10.603 -15.268 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.155 -12.608 -16.910 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.826 -13.316 -17.859 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.624 -13.041 -16.112 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.866 -8.229 -15.641 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.491 -8.765 -16.636 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.090 -8.531 -17.380 1.00 0.00 H new ATOM 121 N LYS A 11 -10.586 -11.059 -15.526 1.00 0.00 N ATOM 122 CA LYS A 11 -9.929 -11.482 -14.295 1.00 0.00 C ATOM 123 C LYS A 11 -10.796 -11.166 -13.080 1.00 0.00 C ATOM 124 O LYS A 11 -10.291 -10.743 -12.040 1.00 0.00 O ATOM 125 CB LYS A 11 -8.569 -10.795 -14.157 1.00 0.00 C ATOM 126 CG LYS A 11 -7.625 -11.076 -15.314 1.00 0.00 C ATOM 127 CD LYS A 11 -6.174 -11.061 -14.866 1.00 0.00 C ATOM 128 CE LYS A 11 -5.276 -11.785 -15.858 1.00 0.00 C ATOM 129 NZ LYS A 11 -5.218 -13.248 -15.588 1.00 0.00 N ATOM 0 H LYS A 11 -10.385 -10.098 -15.802 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.781 -12.561 -14.343 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.722 -9.719 -14.077 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.099 -11.120 -13.229 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.862 -12.046 -15.751 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.773 -10.330 -16.095 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.837 -10.030 -14.754 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.090 -11.532 -13.887 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.643 -11.617 -16.870 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.271 -11.367 -15.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.596 -13.705 -16.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.844 -13.410 -14.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.174 -13.652 -15.659 1.00 0.00 H new ATOM 143 N ILE A 12 -12.101 -11.375 -13.219 1.00 0.00 N ATOM 144 CA ILE A 12 -13.036 -11.115 -12.132 1.00 0.00 C ATOM 145 C ILE A 12 -13.219 -12.350 -11.257 1.00 0.00 C ATOM 146 O ILE A 12 -14.209 -12.471 -10.536 1.00 0.00 O ATOM 147 CB ILE A 12 -14.410 -10.668 -12.665 1.00 0.00 C ATOM 148 CG1 ILE A 12 -15.010 -11.754 -13.561 1.00 0.00 C ATOM 149 CG2 ILE A 12 -14.282 -9.357 -13.426 1.00 0.00 C ATOM 150 CD1 ILE A 12 -15.887 -12.736 -12.816 1.00 0.00 C ATOM 0 H ILE A 12 -12.534 -11.724 -14.074 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.609 -10.310 -11.534 1.00 0.00 H new ATOM 0 HB ILE A 12 -15.079 -10.510 -11.819 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -15.596 -11.281 -14.349 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -14.202 -12.299 -14.049 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -15.261 -9.054 -13.796 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.892 -8.587 -12.761 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -13.601 -9.489 -14.267 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -16.278 -13.477 -13.514 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -15.300 -13.237 -12.046 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -16.716 -12.203 -12.351 1.00 0.00 H new ATOM 162 N ARG A 13 -12.257 -13.265 -11.326 1.00 0.00 N ATOM 163 CA ARG A 13 -12.313 -14.492 -10.540 1.00 0.00 C ATOM 164 C ARG A 13 -11.876 -14.235 -9.100 1.00 0.00 C ATOM 165 O ARG A 13 -10.728 -13.875 -8.844 1.00 0.00 O ATOM 166 CB ARG A 13 -11.424 -15.566 -11.169 1.00 0.00 C ATOM 167 CG ARG A 13 -9.945 -15.218 -11.157 1.00 0.00 C ATOM 168 CD ARG A 13 -9.177 -16.011 -12.203 1.00 0.00 C ATOM 169 NE ARG A 13 -9.645 -15.728 -13.557 1.00 0.00 N ATOM 170 CZ ARG A 13 -8.909 -15.926 -14.645 1.00 0.00 C ATOM 171 NH1 ARG A 13 -7.678 -16.405 -14.539 1.00 0.00 N ATOM 172 NH2 ARG A 13 -9.406 -15.644 -15.843 1.00 0.00 N ATOM 0 H ARG A 13 -11.430 -13.180 -11.918 1.00 0.00 H new ATOM 0 HA ARG A 13 -13.345 -14.842 -10.532 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.572 -16.505 -10.636 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.741 -15.731 -12.199 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.820 -14.151 -11.343 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.531 -15.420 -10.169 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.115 -15.775 -12.130 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.281 -17.077 -11.999 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.588 -15.358 -13.674 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.293 -16.623 -13.620 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.116 -16.556 -15.376 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.353 -15.275 -15.928 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.841 -15.796 -16.678 1.00 0.00 H new ATOM 186 N GLY A 14 -12.802 -14.422 -8.164 1.00 0.00 N ATOM 187 CA GLY A 14 -12.493 -14.206 -6.763 1.00 0.00 C ATOM 188 C GLY A 14 -11.763 -12.899 -6.525 1.00 0.00 C ATOM 189 O GLY A 14 -10.535 -12.854 -6.449 1.00 0.00 O ATOM 0 H GLY A 14 -13.760 -14.719 -8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.417 -14.213 -6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.882 -15.031 -6.397 1.00 0.00 H new ATOM 193 N PRO A 15 -12.527 -11.803 -6.404 1.00 0.00 N ATOM 194 CA PRO A 15 -11.967 -10.469 -6.173 1.00 0.00 C ATOM 195 C PRO A 15 -11.369 -10.325 -4.777 1.00 0.00 C ATOM 196 O PRO A 15 -11.188 -11.312 -4.064 1.00 0.00 O ATOM 197 CB PRO A 15 -13.175 -9.543 -6.335 1.00 0.00 C ATOM 198 CG PRO A 15 -14.353 -10.398 -6.016 1.00 0.00 C ATOM 199 CD PRO A 15 -13.998 -11.783 -6.483 1.00 0.00 C ATOM 0 HA PRO A 15 -11.148 -10.247 -6.857 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -13.112 -8.688 -5.661 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -13.237 -9.146 -7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -14.564 -10.389 -4.947 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -15.248 -10.033 -6.520 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.445 -12.548 -5.848 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -14.348 -11.967 -7.499 1.00 0.00 H new ATOM 207 N SER A 16 -11.064 -9.089 -4.393 1.00 0.00 N ATOM 208 CA SER A 16 -10.483 -8.817 -3.084 1.00 0.00 C ATOM 209 C SER A 16 -9.135 -9.515 -2.932 1.00 0.00 C ATOM 210 O SER A 16 -8.857 -10.138 -1.907 1.00 0.00 O ATOM 211 CB SER A 16 -11.434 -9.274 -1.976 1.00 0.00 C ATOM 212 OG SER A 16 -12.694 -8.635 -2.090 1.00 0.00 O ATOM 0 H SER A 16 -11.210 -8.261 -4.970 1.00 0.00 H new ATOM 0 HA SER A 16 -10.327 -7.742 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.565 -10.355 -2.028 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.997 -9.052 -1.003 1.00 0.00 H new ATOM 0 HG SER A 16 -13.284 -8.945 -1.372 1.00 0.00 H new ATOM 218 N HIS A 17 -8.300 -9.405 -3.961 1.00 0.00 N ATOM 219 CA HIS A 17 -6.980 -10.025 -3.943 1.00 0.00 C ATOM 220 C HIS A 17 -6.116 -9.432 -2.833 1.00 0.00 C ATOM 221 O HIS A 17 -6.236 -8.252 -2.502 1.00 0.00 O ATOM 222 CB HIS A 17 -6.289 -9.842 -5.295 1.00 0.00 C ATOM 223 CG HIS A 17 -7.203 -10.034 -6.465 1.00 0.00 C ATOM 224 ND1 HIS A 17 -7.505 -9.026 -7.357 1.00 0.00 N ATOM 225 CD2 HIS A 17 -7.883 -11.125 -6.889 1.00 0.00 C ATOM 226 CE1 HIS A 17 -8.332 -9.489 -8.278 1.00 0.00 C ATOM 227 NE2 HIS A 17 -8.576 -10.760 -8.017 1.00 0.00 N ATOM 0 H HIS A 17 -8.514 -8.893 -4.817 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.109 -11.090 -3.750 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.858 -8.842 -5.341 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.463 -10.549 -5.370 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.881 -12.101 -6.426 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.739 -8.924 -9.104 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.181 -11.372 -8.565 1.00 0.00 H new ATOM 236 N CYS A 18 -5.247 -10.259 -2.261 1.00 0.00 N ATOM 237 CA CYS A 18 -4.364 -9.818 -1.188 1.00 0.00 C ATOM 238 C CYS A 18 -3.580 -8.576 -1.604 1.00 0.00 C ATOM 239 O CYS A 18 -2.951 -8.553 -2.661 1.00 0.00 O ATOM 240 CB CYS A 18 -3.398 -10.939 -0.801 1.00 0.00 C ATOM 241 SG CYS A 18 -2.322 -10.538 0.613 1.00 0.00 S ATOM 0 H CYS A 18 -5.136 -11.238 -2.523 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.980 -9.565 -0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.973 -11.834 -0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.774 -11.180 -1.662 1.00 0.00 H new ATOM 246 N ALA A 19 -3.624 -7.547 -0.764 1.00 0.00 N ATOM 247 CA ALA A 19 -2.916 -6.303 -1.043 1.00 0.00 C ATOM 248 C ALA A 19 -1.445 -6.411 -0.658 1.00 0.00 C ATOM 249 O ALA A 19 -0.752 -5.403 -0.526 1.00 0.00 O ATOM 250 CB ALA A 19 -3.573 -5.146 -0.306 1.00 0.00 C ATOM 0 H ALA A 19 -4.142 -7.550 0.115 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.971 -6.115 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.034 -4.224 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.608 -5.047 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.548 -5.337 0.767 1.00 0.00 H new ATOM 256 N GLY A 20 -0.973 -7.642 -0.479 1.00 0.00 N ATOM 257 CA GLY A 20 0.414 -7.858 -0.110 1.00 0.00 C ATOM 258 C GLY A 20 1.147 -8.739 -1.102 1.00 0.00 C ATOM 259 O GLY A 20 2.324 -8.518 -1.389 1.00 0.00 O ATOM 0 H GLY A 20 -1.526 -8.493 -0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.922 -6.896 -0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.457 -8.315 0.878 1.00 0.00 H new ATOM 263 N CYS A 21 0.451 -9.743 -1.626 1.00 0.00 N ATOM 264 CA CYS A 21 1.043 -10.663 -2.589 1.00 0.00 C ATOM 265 C CYS A 21 0.227 -10.699 -3.878 1.00 0.00 C ATOM 266 O CYS A 21 0.614 -11.344 -4.854 1.00 0.00 O ATOM 267 CB CYS A 21 1.138 -12.069 -1.993 1.00 0.00 C ATOM 268 SG CYS A 21 -0.463 -12.764 -1.471 1.00 0.00 S ATOM 0 H CYS A 21 -0.524 -9.940 -1.399 1.00 0.00 H new ATOM 0 HA CYS A 21 2.046 -10.308 -2.824 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.588 -12.735 -2.729 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.809 -12.044 -1.134 1.00 0.00 H new ATOM 273 N LYS A 22 -0.904 -10.003 -3.876 1.00 0.00 N ATOM 274 CA LYS A 22 -1.775 -9.953 -5.044 1.00 0.00 C ATOM 275 C LYS A 22 -2.317 -11.339 -5.378 1.00 0.00 C ATOM 276 O LYS A 22 -2.260 -11.777 -6.526 1.00 0.00 O ATOM 277 CB LYS A 22 -1.018 -9.386 -6.247 1.00 0.00 C ATOM 278 CG LYS A 22 -1.054 -7.870 -6.329 1.00 0.00 C ATOM 279 CD LYS A 22 0.105 -7.242 -5.574 1.00 0.00 C ATOM 280 CE LYS A 22 0.370 -5.819 -6.041 1.00 0.00 C ATOM 281 NZ LYS A 22 1.551 -5.222 -5.358 1.00 0.00 N ATOM 0 H LYS A 22 -1.240 -9.465 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.616 -9.300 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.020 -9.714 -6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.442 -9.801 -7.161 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.019 -7.561 -7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.996 -7.505 -5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.113 -7.241 -4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.002 -7.845 -5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.533 -5.815 -7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.509 -5.204 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.698 -4.252 -5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.385 -5.202 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.395 -5.794 -5.561 1.00 0.00 H new ATOM 295 N GLU A 23 -2.844 -12.023 -4.367 1.00 0.00 N ATOM 296 CA GLU A 23 -3.397 -13.359 -4.556 1.00 0.00 C ATOM 297 C GLU A 23 -4.852 -13.416 -4.098 1.00 0.00 C ATOM 298 O GLU A 23 -5.194 -12.923 -3.023 1.00 0.00 O ATOM 299 CB GLU A 23 -2.568 -14.391 -3.788 1.00 0.00 C ATOM 300 CG GLU A 23 -1.281 -14.784 -4.492 1.00 0.00 C ATOM 301 CD GLU A 23 -0.438 -15.743 -3.674 1.00 0.00 C ATOM 302 OE1 GLU A 23 -1.013 -16.674 -3.072 1.00 0.00 O ATOM 303 OE2 GLU A 23 0.798 -15.563 -3.638 1.00 0.00 O ATOM 0 H GLU A 23 -2.900 -11.674 -3.410 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.360 -13.593 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.326 -13.990 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.172 -15.284 -3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.521 -15.244 -5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.700 -13.887 -4.706 1.00 0.00 H new ATOM 310 N GLU A 24 -5.702 -14.020 -4.921 1.00 0.00 N ATOM 311 CA GLU A 24 -7.120 -14.140 -4.601 1.00 0.00 C ATOM 312 C GLU A 24 -7.317 -14.833 -3.256 1.00 0.00 C ATOM 313 O GLU A 24 -6.835 -15.946 -3.043 1.00 0.00 O ATOM 314 CB GLU A 24 -7.849 -14.916 -5.700 1.00 0.00 C ATOM 315 CG GLU A 24 -9.238 -15.383 -5.295 1.00 0.00 C ATOM 316 CD GLU A 24 -9.878 -16.279 -6.337 1.00 0.00 C ATOM 317 OE1 GLU A 24 -10.108 -15.802 -7.469 1.00 0.00 O ATOM 318 OE2 GLU A 24 -10.151 -17.456 -6.022 1.00 0.00 O ATOM 0 H GLU A 24 -5.434 -14.434 -5.814 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.539 -13.136 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.930 -14.286 -6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.250 -15.783 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.175 -15.920 -4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.875 -14.514 -5.127 1.00 0.00 H new ATOM 325 N ILE A 25 -8.029 -14.167 -2.353 1.00 0.00 N ATOM 326 CA ILE A 25 -8.290 -14.719 -1.030 1.00 0.00 C ATOM 327 C ILE A 25 -9.613 -15.478 -1.002 1.00 0.00 C ATOM 328 O ILE A 25 -10.624 -14.968 -0.520 1.00 0.00 O ATOM 329 CB ILE A 25 -8.322 -13.615 0.044 1.00 0.00 C ATOM 330 CG1 ILE A 25 -7.000 -12.845 0.054 1.00 0.00 C ATOM 331 CG2 ILE A 25 -8.602 -14.217 1.414 1.00 0.00 C ATOM 332 CD1 ILE A 25 -7.108 -11.468 0.672 1.00 0.00 C ATOM 0 H ILE A 25 -8.435 -13.245 -2.514 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.474 -15.407 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.125 -12.918 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.256 -13.423 0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.638 -12.748 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.622 -13.425 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.566 -14.725 1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.819 -14.933 1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.134 -10.980 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.828 -10.873 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.440 -11.558 1.706 1.00 0.00 H new ATOM 344 N LYS A 26 -9.597 -16.701 -1.521 1.00 0.00 N ATOM 345 CA LYS A 26 -10.794 -17.534 -1.554 1.00 0.00 C ATOM 346 C LYS A 26 -10.581 -18.824 -0.768 1.00 0.00 C ATOM 347 O LYS A 26 -11.415 -19.208 0.052 1.00 0.00 O ATOM 348 CB LYS A 26 -11.173 -17.861 -3.000 1.00 0.00 C ATOM 349 CG LYS A 26 -11.948 -16.753 -3.691 1.00 0.00 C ATOM 350 CD LYS A 26 -13.378 -16.672 -3.183 1.00 0.00 C ATOM 351 CE LYS A 26 -14.311 -17.551 -4.001 1.00 0.00 C ATOM 352 NZ LYS A 26 -15.727 -17.101 -3.900 1.00 0.00 N ATOM 0 H LYS A 26 -8.768 -17.138 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.607 -16.977 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.265 -18.066 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.770 -18.773 -3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.447 -15.799 -3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.952 -16.927 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.412 -16.978 -2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.722 -15.638 -3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.999 -17.538 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.232 -18.582 -3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.331 -17.725 -4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.033 -17.137 -2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.807 -16.125 -4.251 1.00 0.00 H new ATOM 366 N HIS A 27 -9.458 -19.488 -1.024 1.00 0.00 N ATOM 367 CA HIS A 27 -9.134 -20.735 -0.339 1.00 0.00 C ATOM 368 C HIS A 27 -8.554 -20.459 1.045 1.00 0.00 C ATOM 369 O HIS A 27 -8.732 -21.248 1.972 1.00 0.00 O ATOM 370 CB HIS A 27 -8.143 -21.554 -1.166 1.00 0.00 C ATOM 371 CG HIS A 27 -8.697 -22.016 -2.479 1.00 0.00 C ATOM 372 ND1 HIS A 27 -9.913 -22.655 -2.600 1.00 0.00 N ATOM 373 CD2 HIS A 27 -8.195 -21.927 -3.732 1.00 0.00 C ATOM 374 CE1 HIS A 27 -10.133 -22.941 -3.870 1.00 0.00 C ATOM 375 NE2 HIS A 27 -9.106 -22.509 -4.579 1.00 0.00 N ATOM 0 H HIS A 27 -8.758 -19.184 -1.700 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.055 -21.306 -0.221 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.251 -20.954 -1.348 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.830 -22.423 -0.587 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.253 -21.481 -4.014 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.005 -23.443 -4.262 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.006 -22.594 -5.591 1.00 0.00 H new ATOM 384 N GLY A 28 -7.858 -19.334 1.177 1.00 0.00 N ATOM 385 CA GLY A 28 -7.261 -18.975 2.450 1.00 0.00 C ATOM 386 C GLY A 28 -8.099 -17.974 3.221 1.00 0.00 C ATOM 387 O GLY A 28 -9.302 -17.857 2.993 1.00 0.00 O ATOM 0 H GLY A 28 -7.697 -18.664 0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.129 -19.874 3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.269 -18.558 2.278 1.00 0.00 H new ATOM 391 N GLN A 29 -7.461 -17.252 4.137 1.00 0.00 N ATOM 392 CA GLN A 29 -8.157 -16.258 4.946 1.00 0.00 C ATOM 393 C GLN A 29 -7.629 -14.857 4.658 1.00 0.00 C ATOM 394 O GLN A 29 -6.557 -14.694 4.076 1.00 0.00 O ATOM 395 CB GLN A 29 -8.000 -16.580 6.433 1.00 0.00 C ATOM 396 CG GLN A 29 -9.217 -16.212 7.266 1.00 0.00 C ATOM 397 CD GLN A 29 -10.206 -17.355 7.391 1.00 0.00 C ATOM 398 OE1 GLN A 29 -10.259 -18.036 8.416 1.00 0.00 O ATOM 399 NE2 GLN A 29 -10.996 -17.571 6.346 1.00 0.00 N ATOM 0 H GLN A 29 -6.464 -17.337 4.337 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.215 -16.289 4.685 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.801 -17.646 6.547 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.130 -16.050 6.821 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.893 -15.907 8.261 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.715 -15.353 6.815 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.918 -16.982 5.517 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.681 -18.326 6.372 1.00 0.00 H new ATOM 408 N SER A 30 -8.390 -13.847 5.069 1.00 0.00 N ATOM 409 CA SER A 30 -8.001 -12.459 4.852 1.00 0.00 C ATOM 410 C SER A 30 -7.931 -11.701 6.174 1.00 0.00 C ATOM 411 O SER A 30 -8.409 -12.180 7.204 1.00 0.00 O ATOM 412 CB SER A 30 -8.991 -11.772 3.909 1.00 0.00 C ATOM 413 OG SER A 30 -10.307 -11.811 4.434 1.00 0.00 O ATOM 0 H SER A 30 -9.280 -13.965 5.554 1.00 0.00 H new ATOM 0 HA SER A 30 -7.011 -12.452 4.397 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.689 -10.736 3.752 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.970 -12.261 2.935 1.00 0.00 H new ATOM 0 HG SER A 30 -10.920 -11.364 3.814 1.00 0.00 H new ATOM 419 N LEU A 31 -7.332 -10.516 6.138 1.00 0.00 N ATOM 420 CA LEU A 31 -7.199 -9.689 7.333 1.00 0.00 C ATOM 421 C LEU A 31 -7.559 -8.238 7.034 1.00 0.00 C ATOM 422 O LEU A 31 -6.955 -7.602 6.169 1.00 0.00 O ATOM 423 CB LEU A 31 -5.771 -9.771 7.876 1.00 0.00 C ATOM 424 CG LEU A 31 -5.603 -9.481 9.368 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.195 -9.830 9.824 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.917 -8.023 9.667 1.00 0.00 C ATOM 0 H LEU A 31 -6.931 -10.106 5.295 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.890 -10.067 8.086 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.384 -10.770 7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.150 -9.070 7.318 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.307 -10.103 9.921 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.094 -9.617 10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.007 -10.889 9.646 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.473 -9.235 9.265 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.792 -7.835 10.733 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.239 -7.382 9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.945 -7.806 9.378 1.00 0.00 H new ATOM 438 N LEU A 32 -8.546 -7.718 7.756 1.00 0.00 N ATOM 439 CA LEU A 32 -8.985 -6.339 7.570 1.00 0.00 C ATOM 440 C LEU A 32 -7.943 -5.359 8.099 1.00 0.00 C ATOM 441 O LEU A 32 -7.585 -5.393 9.276 1.00 0.00 O ATOM 442 CB LEU A 32 -10.322 -6.110 8.278 1.00 0.00 C ATOM 443 CG LEU A 32 -11.576 -6.414 7.457 1.00 0.00 C ATOM 444 CD1 LEU A 32 -11.633 -5.528 6.222 1.00 0.00 C ATOM 445 CD2 LEU A 32 -11.614 -7.883 7.064 1.00 0.00 C ATOM 0 H LEU A 32 -9.057 -8.230 8.475 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.111 -6.165 6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.344 -6.724 9.178 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.366 -5.070 8.600 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.450 -6.201 8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.532 -5.758 5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.654 -4.481 6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.754 -5.708 5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.513 -8.080 6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.734 -8.123 6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.622 -8.500 7.963 1.00 0.00 H new ATOM 457 N ALA A 33 -7.461 -4.485 7.221 1.00 0.00 N ATOM 458 CA ALA A 33 -6.463 -3.493 7.601 1.00 0.00 C ATOM 459 C ALA A 33 -6.271 -2.458 6.497 1.00 0.00 C ATOM 460 O ALA A 33 -5.968 -2.803 5.354 1.00 0.00 O ATOM 461 CB ALA A 33 -5.141 -4.172 7.926 1.00 0.00 C ATOM 0 H ALA A 33 -7.746 -4.444 6.242 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.821 -2.975 8.491 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.405 -3.419 8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.283 -4.868 8.753 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.786 -4.716 7.050 1.00 0.00 H new ATOM 467 N LEU A 34 -6.451 -1.189 6.846 1.00 0.00 N ATOM 468 CA LEU A 34 -6.298 -0.102 5.884 1.00 0.00 C ATOM 469 C LEU A 34 -7.303 -0.238 4.745 1.00 0.00 C ATOM 470 O LEU A 34 -6.956 -0.072 3.575 1.00 0.00 O ATOM 471 CB LEU A 34 -4.874 -0.087 5.325 1.00 0.00 C ATOM 472 CG LEU A 34 -3.780 0.377 6.287 1.00 0.00 C ATOM 473 CD1 LEU A 34 -3.466 -0.711 7.302 1.00 0.00 C ATOM 474 CD2 LEU A 34 -2.526 0.771 5.520 1.00 0.00 C ATOM 0 H LEU A 34 -6.703 -0.887 7.787 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.489 0.838 6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.628 -1.093 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.856 0.559 4.448 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.143 1.253 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.685 -0.363 7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.364 -0.945 7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.123 -1.606 6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.758 1.099 6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.160 -0.087 4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.760 1.584 4.833 1.00 0.00 H new ATOM 486 N ASP A 35 -8.548 -0.539 5.094 1.00 0.00 N ATOM 487 CA ASP A 35 -9.605 -0.694 4.101 1.00 0.00 C ATOM 488 C ASP A 35 -9.177 -1.657 2.998 1.00 0.00 C ATOM 489 O ASP A 35 -9.660 -1.578 1.868 1.00 0.00 O ATOM 490 CB ASP A 35 -9.970 0.663 3.498 1.00 0.00 C ATOM 491 CG ASP A 35 -10.930 1.445 4.372 1.00 0.00 C ATOM 492 OD1 ASP A 35 -12.093 1.013 4.510 1.00 0.00 O ATOM 493 OD2 ASP A 35 -10.519 2.491 4.917 1.00 0.00 O ATOM 0 H ASP A 35 -8.851 -0.681 6.058 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.481 -1.108 4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.062 1.247 3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.418 0.512 2.516 1.00 0.00 H new ATOM 498 N LYS A 36 -8.266 -2.564 3.332 1.00 0.00 N ATOM 499 CA LYS A 36 -7.771 -3.543 2.371 1.00 0.00 C ATOM 500 C LYS A 36 -7.853 -4.955 2.941 1.00 0.00 C ATOM 501 O LYS A 36 -8.223 -5.145 4.099 1.00 0.00 O ATOM 502 CB LYS A 36 -6.326 -3.222 1.982 1.00 0.00 C ATOM 503 CG LYS A 36 -6.210 -2.315 0.769 1.00 0.00 C ATOM 504 CD LYS A 36 -4.909 -1.530 0.783 1.00 0.00 C ATOM 505 CE LYS A 36 -4.877 -0.485 -0.322 1.00 0.00 C ATOM 506 NZ LYS A 36 -4.462 -1.070 -1.627 1.00 0.00 N ATOM 0 H LYS A 36 -7.855 -2.642 4.262 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.400 -3.492 1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.827 -2.749 2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.797 -4.154 1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.265 -2.913 -0.141 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.053 -1.624 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.787 -1.042 1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.069 -2.214 0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.864 -0.034 -0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.188 0.314 -0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.453 -0.326 -2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.510 -1.478 -1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.133 -1.815 -1.903 1.00 0.00 H new ATOM 520 N GLN A 37 -7.505 -5.941 2.121 1.00 0.00 N ATOM 521 CA GLN A 37 -7.539 -7.336 2.545 1.00 0.00 C ATOM 522 C GLN A 37 -6.171 -7.989 2.376 1.00 0.00 C ATOM 523 O GLN A 37 -5.669 -8.120 1.260 1.00 0.00 O ATOM 524 CB GLN A 37 -8.589 -8.109 1.746 1.00 0.00 C ATOM 525 CG GLN A 37 -10.015 -7.845 2.200 1.00 0.00 C ATOM 526 CD GLN A 37 -10.996 -8.872 1.671 1.00 0.00 C ATOM 527 OE1 GLN A 37 -10.664 -10.050 1.532 1.00 0.00 O ATOM 528 NE2 GLN A 37 -12.213 -8.432 1.373 1.00 0.00 N ATOM 0 H GLN A 37 -7.196 -5.800 1.159 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.806 -7.362 3.601 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.498 -7.846 0.692 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.382 -9.176 1.827 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.051 -7.842 3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.320 -6.852 1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.446 -7.447 1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.915 -9.079 1.014 1.00 0.00 H new ATOM 537 N TRP A 38 -5.575 -8.398 3.490 1.00 0.00 N ATOM 538 CA TRP A 38 -4.265 -9.038 3.465 1.00 0.00 C ATOM 539 C TRP A 38 -4.318 -10.412 4.124 1.00 0.00 C ATOM 540 O TRP A 38 -5.163 -10.668 4.982 1.00 0.00 O ATOM 541 CB TRP A 38 -3.232 -8.160 4.173 1.00 0.00 C ATOM 542 CG TRP A 38 -3.439 -6.694 3.939 1.00 0.00 C ATOM 543 CD1 TRP A 38 -4.535 -5.956 4.285 1.00 0.00 C ATOM 544 CD2 TRP A 38 -2.527 -5.789 3.307 1.00 0.00 C ATOM 545 NE1 TRP A 38 -4.359 -4.647 3.906 1.00 0.00 N ATOM 546 CE2 TRP A 38 -3.135 -4.518 3.305 1.00 0.00 C ATOM 547 CE3 TRP A 38 -1.255 -5.928 2.746 1.00 0.00 C ATOM 548 CZ2 TRP A 38 -2.514 -3.397 2.761 1.00 0.00 C ATOM 549 CZ3 TRP A 38 -0.640 -4.814 2.206 1.00 0.00 C ATOM 550 CH2 TRP A 38 -1.269 -3.562 2.218 1.00 0.00 C ATOM 0 H TRP A 38 -5.978 -8.298 4.422 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.971 -9.166 2.423 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.270 -8.359 5.244 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -2.235 -8.438 3.832 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.411 -6.344 4.783 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.031 -3.893 4.049 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.761 -6.888 2.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.998 -2.431 2.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.342 -4.910 1.767 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.761 -2.710 1.790 1.00 0.00 H new ATOM 561 N HIS A 39 -3.410 -11.294 3.717 1.00 0.00 N ATOM 562 CA HIS A 39 -3.353 -12.643 4.269 1.00 0.00 C ATOM 563 C HIS A 39 -2.880 -12.617 5.720 1.00 0.00 C ATOM 564 O HIS A 39 -2.433 -11.584 6.219 1.00 0.00 O ATOM 565 CB HIS A 39 -2.422 -13.520 3.433 1.00 0.00 C ATOM 566 CG HIS A 39 -3.016 -13.949 2.126 1.00 0.00 C ATOM 567 ND1 HIS A 39 -2.269 -14.120 0.980 1.00 0.00 N ATOM 568 CD2 HIS A 39 -4.293 -14.244 1.789 1.00 0.00 C ATOM 569 CE1 HIS A 39 -3.061 -14.499 -0.007 1.00 0.00 C ATOM 570 NE2 HIS A 39 -4.295 -14.582 0.458 1.00 0.00 N ATOM 0 H HIS A 39 -2.704 -11.099 3.007 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.358 -13.063 4.240 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.498 -12.975 3.241 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.156 -14.406 4.010 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.151 -14.218 2.445 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.752 -14.706 -1.021 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.116 -14.853 -0.084 1.00 0.00 H new ATOM 578 N VAL A 40 -2.983 -13.759 6.391 1.00 0.00 N ATOM 579 CA VAL A 40 -2.566 -13.868 7.784 1.00 0.00 C ATOM 580 C VAL A 40 -1.047 -13.933 7.900 1.00 0.00 C ATOM 581 O VAL A 40 -0.491 -13.795 8.989 1.00 0.00 O ATOM 582 CB VAL A 40 -3.175 -15.112 8.457 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.848 -15.130 9.943 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.679 -15.156 8.234 1.00 0.00 C ATOM 0 H VAL A 40 -3.352 -14.623 5.993 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.928 -12.975 8.293 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.737 -16.000 8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.287 -16.016 10.401 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.766 -15.150 10.077 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.256 -14.237 10.416 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.093 -16.042 8.716 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.136 -14.263 8.661 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.887 -15.195 7.165 1.00 0.00 H new ATOM 594 N SER A 41 -0.382 -14.145 6.768 1.00 0.00 N ATOM 595 CA SER A 41 1.073 -14.232 6.742 1.00 0.00 C ATOM 596 C SER A 41 1.662 -13.201 5.784 1.00 0.00 C ATOM 597 O SER A 41 2.818 -13.308 5.373 1.00 0.00 O ATOM 598 CB SER A 41 1.514 -15.638 6.331 1.00 0.00 C ATOM 599 OG SER A 41 0.926 -16.017 5.098 1.00 0.00 O ATOM 0 H SER A 41 -0.828 -14.260 5.858 1.00 0.00 H new ATOM 0 HA SER A 41 1.443 -14.022 7.746 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.600 -15.671 6.245 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.234 -16.352 7.106 1.00 0.00 H new ATOM 0 HG SER A 41 1.225 -16.919 4.856 1.00 0.00 H new ATOM 605 N CYS A 42 0.858 -12.204 5.431 1.00 0.00 N ATOM 606 CA CYS A 42 1.297 -11.153 4.521 1.00 0.00 C ATOM 607 C CYS A 42 1.253 -9.789 5.203 1.00 0.00 C ATOM 608 O CYS A 42 2.078 -8.917 4.927 1.00 0.00 O ATOM 609 CB CYS A 42 0.421 -11.137 3.267 1.00 0.00 C ATOM 610 SG CYS A 42 0.772 -12.489 2.097 1.00 0.00 S ATOM 0 H CYS A 42 -0.102 -12.102 5.761 1.00 0.00 H new ATOM 0 HA CYS A 42 2.327 -11.363 4.234 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.625 -11.193 3.567 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.555 -10.184 2.755 1.00 0.00 H new ATOM 615 N PHE A 43 0.284 -9.610 6.094 1.00 0.00 N ATOM 616 CA PHE A 43 0.130 -8.352 6.816 1.00 0.00 C ATOM 617 C PHE A 43 1.243 -8.177 7.846 1.00 0.00 C ATOM 618 O PHE A 43 1.249 -8.833 8.888 1.00 0.00 O ATOM 619 CB PHE A 43 -1.233 -8.300 7.508 1.00 0.00 C ATOM 620 CG PHE A 43 -1.613 -6.925 7.980 1.00 0.00 C ATOM 621 CD1 PHE A 43 -1.482 -5.830 7.143 1.00 0.00 C ATOM 622 CD2 PHE A 43 -2.100 -6.730 9.263 1.00 0.00 C ATOM 623 CE1 PHE A 43 -1.831 -4.564 7.575 1.00 0.00 C ATOM 624 CE2 PHE A 43 -2.450 -5.466 9.700 1.00 0.00 C ATOM 625 CZ PHE A 43 -2.315 -4.382 8.855 1.00 0.00 C ATOM 0 H PHE A 43 -0.407 -10.321 6.334 1.00 0.00 H new ATOM 0 HA PHE A 43 0.194 -7.537 6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.996 -8.663 6.819 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.225 -8.979 8.361 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.103 -5.966 6.141 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.207 -7.574 9.928 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.725 -3.718 6.912 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.829 -5.326 10.702 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.588 -3.394 9.195 1.00 0.00 H new ATOM 635 N LYS A 44 2.183 -7.288 7.547 1.00 0.00 N ATOM 636 CA LYS A 44 3.301 -7.024 8.445 1.00 0.00 C ATOM 637 C LYS A 44 3.837 -5.609 8.246 1.00 0.00 C ATOM 638 O LYS A 44 3.520 -4.948 7.256 1.00 0.00 O ATOM 639 CB LYS A 44 4.420 -8.042 8.212 1.00 0.00 C ATOM 640 CG LYS A 44 4.607 -8.418 6.753 1.00 0.00 C ATOM 641 CD LYS A 44 5.866 -9.243 6.546 1.00 0.00 C ATOM 642 CE LYS A 44 5.654 -10.694 6.950 1.00 0.00 C ATOM 643 NZ LYS A 44 6.531 -11.618 6.179 1.00 0.00 N ATOM 0 H LYS A 44 2.193 -6.737 6.689 1.00 0.00 H new ATOM 0 HA LYS A 44 2.941 -7.116 9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.355 -7.635 8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.205 -8.943 8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.741 -8.982 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.660 -7.513 6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.165 -9.196 5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.682 -8.817 7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.855 -10.807 8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.611 -10.967 6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.357 -12.597 6.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.322 -11.529 5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.527 -11.375 6.350 1.00 0.00 H new ATOM 657 N CYS A 45 4.651 -5.152 9.191 1.00 0.00 N ATOM 658 CA CYS A 45 5.232 -3.816 9.119 1.00 0.00 C ATOM 659 C CYS A 45 5.844 -3.563 7.745 1.00 0.00 C ATOM 660 O CYS A 45 6.021 -4.488 6.953 1.00 0.00 O ATOM 661 CB CYS A 45 6.297 -3.642 10.204 1.00 0.00 C ATOM 662 SG CYS A 45 6.797 -1.913 10.483 1.00 0.00 S ATOM 0 H CYS A 45 4.924 -5.687 10.016 1.00 0.00 H new ATOM 0 HA CYS A 45 4.435 -3.090 9.281 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.919 -4.055 11.139 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.177 -4.224 9.931 1.00 0.00 H new ATOM 667 N GLN A 46 6.166 -2.303 7.470 1.00 0.00 N ATOM 668 CA GLN A 46 6.758 -1.927 6.191 1.00 0.00 C ATOM 669 C GLN A 46 8.240 -1.604 6.352 1.00 0.00 C ATOM 670 O GLN A 46 8.984 -1.544 5.372 1.00 0.00 O ATOM 671 CB GLN A 46 6.022 -0.725 5.598 1.00 0.00 C ATOM 672 CG GLN A 46 6.652 -0.196 4.319 1.00 0.00 C ATOM 673 CD GLN A 46 6.830 -1.274 3.268 1.00 0.00 C ATOM 674 OE1 GLN A 46 7.944 -1.534 2.811 1.00 0.00 O ATOM 675 NE2 GLN A 46 5.730 -1.907 2.877 1.00 0.00 N ATOM 0 H GLN A 46 6.027 -1.525 8.115 1.00 0.00 H new ATOM 0 HA GLN A 46 6.661 -2.773 5.511 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.989 -1.006 5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.995 0.075 6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.029 0.602 3.914 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.622 0.244 4.551 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.828 -1.659 3.283 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.788 -2.641 2.171 1.00 0.00 H new ATOM 684 N THR A 47 8.664 -1.394 7.594 1.00 0.00 N ATOM 685 CA THR A 47 10.056 -1.074 7.883 1.00 0.00 C ATOM 686 C THR A 47 10.805 -2.297 8.399 1.00 0.00 C ATOM 687 O THR A 47 11.955 -2.536 8.029 1.00 0.00 O ATOM 688 CB THR A 47 10.169 0.059 8.921 1.00 0.00 C ATOM 689 OG1 THR A 47 9.605 1.264 8.393 1.00 0.00 O ATOM 690 CG2 THR A 47 11.621 0.297 9.305 1.00 0.00 C ATOM 0 H THR A 47 8.063 -1.440 8.417 1.00 0.00 H new ATOM 0 HA THR A 47 10.505 -0.744 6.946 1.00 0.00 H new ATOM 0 HB THR A 47 9.618 -0.238 9.814 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.292 1.963 8.368 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.676 1.101 10.039 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.038 -0.614 9.733 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.191 0.575 8.418 1.00 0.00 H new ATOM 698 N CYS A 48 10.146 -3.071 9.256 1.00 0.00 N ATOM 699 CA CYS A 48 10.750 -4.270 9.824 1.00 0.00 C ATOM 700 C CYS A 48 10.135 -5.528 9.216 1.00 0.00 C ATOM 701 O CYS A 48 10.720 -6.609 9.277 1.00 0.00 O ATOM 702 CB CYS A 48 10.572 -4.286 11.344 1.00 0.00 C ATOM 703 SG CYS A 48 8.846 -4.497 11.888 1.00 0.00 S ATOM 0 H CYS A 48 9.193 -2.889 9.572 1.00 0.00 H new ATOM 0 HA CYS A 48 11.814 -4.256 9.590 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.174 -5.093 11.761 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.960 -3.354 11.754 1.00 0.00 H new ATOM 708 N SER A 49 8.951 -5.378 8.631 1.00 0.00 N ATOM 709 CA SER A 49 8.255 -6.501 8.015 1.00 0.00 C ATOM 710 C SER A 49 7.917 -7.566 9.054 1.00 0.00 C ATOM 711 O SER A 49 8.244 -8.741 8.885 1.00 0.00 O ATOM 712 CB SER A 49 9.110 -7.111 6.903 1.00 0.00 C ATOM 713 OG SER A 49 10.047 -8.036 7.428 1.00 0.00 O ATOM 0 H SER A 49 8.454 -4.489 8.571 1.00 0.00 H new ATOM 0 HA SER A 49 7.325 -6.129 7.585 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.467 -7.611 6.179 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.636 -6.320 6.369 1.00 0.00 H new ATOM 0 HG SER A 49 10.593 -7.596 8.113 1.00 0.00 H new ATOM 719 N VAL A 50 7.259 -7.147 10.130 1.00 0.00 N ATOM 720 CA VAL A 50 6.875 -8.063 11.197 1.00 0.00 C ATOM 721 C VAL A 50 5.366 -8.277 11.220 1.00 0.00 C ATOM 722 O VAL A 50 4.592 -7.319 11.217 1.00 0.00 O ATOM 723 CB VAL A 50 7.330 -7.544 12.574 1.00 0.00 C ATOM 724 CG1 VAL A 50 6.495 -6.345 12.995 1.00 0.00 C ATOM 725 CG2 VAL A 50 7.250 -8.652 13.613 1.00 0.00 C ATOM 0 H VAL A 50 6.981 -6.178 10.286 1.00 0.00 H new ATOM 0 HA VAL A 50 7.371 -9.012 10.993 1.00 0.00 H new ATOM 0 HB VAL A 50 8.369 -7.223 12.498 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.831 -5.992 13.970 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.609 -5.547 12.261 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.446 -6.635 13.056 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.575 -8.268 14.580 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.222 -9.005 13.690 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.896 -9.478 13.315 1.00 0.00 H new ATOM 735 N ILE A 51 4.953 -9.540 11.245 1.00 0.00 N ATOM 736 CA ILE A 51 3.536 -9.880 11.270 1.00 0.00 C ATOM 737 C ILE A 51 2.797 -9.076 12.335 1.00 0.00 C ATOM 738 O ILE A 51 3.189 -9.064 13.503 1.00 0.00 O ATOM 739 CB ILE A 51 3.322 -11.382 11.536 1.00 0.00 C ATOM 740 CG1 ILE A 51 4.018 -12.216 10.459 1.00 0.00 C ATOM 741 CG2 ILE A 51 1.836 -11.704 11.585 1.00 0.00 C ATOM 742 CD1 ILE A 51 3.287 -12.227 9.135 1.00 0.00 C ATOM 0 H ILE A 51 5.580 -10.345 11.248 1.00 0.00 H new ATOM 0 HA ILE A 51 3.134 -9.633 10.287 1.00 0.00 H new ATOM 0 HB ILE A 51 3.760 -11.632 12.502 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.025 -11.828 10.305 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.122 -13.241 10.816 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.701 -12.769 11.774 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.366 -11.131 12.384 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.376 -11.443 10.632 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.838 -12.838 8.420 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.289 -12.643 9.274 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.206 -11.208 8.756 1.00 0.00 H new ATOM 754 N LEU A 52 1.725 -8.407 11.926 1.00 0.00 N ATOM 755 CA LEU A 52 0.929 -7.601 12.845 1.00 0.00 C ATOM 756 C LEU A 52 -0.431 -8.246 13.096 1.00 0.00 C ATOM 757 O LEU A 52 -1.284 -8.287 12.209 1.00 0.00 O ATOM 758 CB LEU A 52 0.742 -6.190 12.287 1.00 0.00 C ATOM 759 CG LEU A 52 2.019 -5.454 11.880 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.707 -4.359 10.873 1.00 0.00 C ATOM 761 CD2 LEU A 52 2.713 -4.873 13.104 1.00 0.00 C ATOM 0 H LEU A 52 1.387 -8.407 10.964 1.00 0.00 H new ATOM 0 HA LEU A 52 1.463 -7.541 13.793 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.088 -6.249 11.417 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.224 -5.591 13.036 1.00 0.00 H new ATOM 0 HG LEU A 52 2.693 -6.170 11.410 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.628 -3.847 10.596 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.255 -4.800 9.984 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.014 -3.644 11.316 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.620 -4.353 12.795 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.044 -4.172 13.603 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.973 -5.678 13.791 1.00 0.00 H new ATOM 773 N THR A 53 -0.628 -8.746 14.312 1.00 0.00 N ATOM 774 CA THR A 53 -1.883 -9.388 14.680 1.00 0.00 C ATOM 775 C THR A 53 -2.471 -8.762 15.940 1.00 0.00 C ATOM 776 O THR A 53 -3.674 -8.513 16.018 1.00 0.00 O ATOM 777 CB THR A 53 -1.696 -10.899 14.911 1.00 0.00 C ATOM 778 OG1 THR A 53 -0.646 -11.123 15.859 1.00 0.00 O ATOM 779 CG2 THR A 53 -1.369 -11.609 13.606 1.00 0.00 C ATOM 0 H THR A 53 0.066 -8.718 15.059 1.00 0.00 H new ATOM 0 HA THR A 53 -2.570 -9.238 13.847 1.00 0.00 H new ATOM 0 HB THR A 53 -2.630 -11.303 15.302 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.534 -12.086 16.002 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.241 -12.675 13.794 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.183 -11.461 12.897 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.448 -11.201 13.191 1.00 0.00 H new ATOM 787 N GLY A 54 -1.615 -8.509 16.925 1.00 0.00 N ATOM 788 CA GLY A 54 -2.069 -7.913 18.168 1.00 0.00 C ATOM 789 C GLY A 54 -2.369 -6.434 18.026 1.00 0.00 C ATOM 790 O GLY A 54 -3.530 -6.027 18.034 1.00 0.00 O ATOM 0 H GLY A 54 -0.615 -8.706 16.885 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.965 -8.431 18.510 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.307 -8.054 18.935 1.00 0.00 H new ATOM 794 N GLU A 55 -1.319 -5.628 17.899 1.00 0.00 N ATOM 795 CA GLU A 55 -1.477 -4.185 17.758 1.00 0.00 C ATOM 796 C GLU A 55 -0.583 -3.646 16.645 1.00 0.00 C ATOM 797 O GLU A 55 0.468 -4.215 16.348 1.00 0.00 O ATOM 798 CB GLU A 55 -1.149 -3.483 19.077 1.00 0.00 C ATOM 799 CG GLU A 55 -2.104 -3.830 20.206 1.00 0.00 C ATOM 800 CD GLU A 55 -1.638 -3.302 21.548 1.00 0.00 C ATOM 801 OE1 GLU A 55 -1.870 -2.107 21.830 1.00 0.00 O ATOM 802 OE2 GLU A 55 -1.041 -4.083 22.318 1.00 0.00 O ATOM 0 H GLU A 55 -0.351 -5.949 17.891 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.515 -3.982 17.496 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.135 -3.747 19.377 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.164 -2.405 18.918 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.089 -3.422 19.982 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.213 -4.913 20.264 1.00 0.00 H new ATOM 809 N TYR A 56 -1.008 -2.547 16.033 1.00 0.00 N ATOM 810 CA TYR A 56 -0.248 -1.932 14.951 1.00 0.00 C ATOM 811 C TYR A 56 -0.767 -0.529 14.650 1.00 0.00 C ATOM 812 O TYR A 56 -1.887 -0.177 15.020 1.00 0.00 O ATOM 813 CB TYR A 56 -0.323 -2.797 13.692 1.00 0.00 C ATOM 814 CG TYR A 56 -1.533 -2.511 12.832 1.00 0.00 C ATOM 815 CD1 TYR A 56 -2.764 -3.092 13.116 1.00 0.00 C ATOM 816 CD2 TYR A 56 -1.447 -1.662 11.736 1.00 0.00 C ATOM 817 CE1 TYR A 56 -3.872 -2.835 12.333 1.00 0.00 C ATOM 818 CE2 TYR A 56 -2.551 -1.398 10.948 1.00 0.00 C ATOM 819 CZ TYR A 56 -3.761 -1.987 11.251 1.00 0.00 C ATOM 820 OH TYR A 56 -4.863 -1.727 10.468 1.00 0.00 O ATOM 0 H TYR A 56 -1.875 -2.063 16.267 1.00 0.00 H new ATOM 0 HA TYR A 56 0.792 -1.854 15.269 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.578 -2.640 13.100 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.335 -3.847 13.983 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.855 -3.755 13.963 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.501 -1.200 11.496 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.820 -3.296 12.567 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.467 -0.735 10.100 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.790 -0.826 10.090 1.00 0.00 H new ATOM 830 N ILE A 57 0.056 0.266 13.975 1.00 0.00 N ATOM 831 CA ILE A 57 -0.319 1.630 13.622 1.00 0.00 C ATOM 832 C ILE A 57 -0.138 1.881 12.129 1.00 0.00 C ATOM 833 O ILE A 57 0.913 1.581 11.562 1.00 0.00 O ATOM 834 CB ILE A 57 0.509 2.663 14.409 1.00 0.00 C ATOM 835 CG1 ILE A 57 0.752 2.174 15.838 1.00 0.00 C ATOM 836 CG2 ILE A 57 -0.196 4.011 14.417 1.00 0.00 C ATOM 837 CD1 ILE A 57 2.010 2.733 16.463 1.00 0.00 C ATOM 0 H ILE A 57 0.986 -0.010 13.662 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.371 1.745 13.882 1.00 0.00 H new ATOM 0 HB ILE A 57 1.475 2.783 13.918 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.103 2.446 16.457 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.810 1.086 15.836 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.401 4.731 14.977 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.321 4.362 13.393 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.174 3.907 14.887 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.118 2.343 17.475 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.874 2.439 15.867 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.947 3.821 16.498 1.00 0.00 H new ATOM 849 N SER A 58 -1.169 2.434 11.498 1.00 0.00 N ATOM 850 CA SER A 58 -1.125 2.724 10.070 1.00 0.00 C ATOM 851 C SER A 58 -0.774 4.188 9.823 1.00 0.00 C ATOM 852 O SER A 58 -1.335 5.088 10.449 1.00 0.00 O ATOM 853 CB SER A 58 -2.469 2.394 9.419 1.00 0.00 C ATOM 854 OG SER A 58 -3.472 3.308 9.829 1.00 0.00 O ATOM 0 H SER A 58 -2.045 2.690 11.953 1.00 0.00 H new ATOM 0 HA SER A 58 -0.350 2.102 9.622 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.368 2.423 8.334 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.766 1.380 9.685 1.00 0.00 H new ATOM 0 HG SER A 58 -4.321 3.077 9.398 1.00 0.00 H new ATOM 860 N LYS A 59 0.160 4.420 8.907 1.00 0.00 N ATOM 861 CA LYS A 59 0.588 5.774 8.575 1.00 0.00 C ATOM 862 C LYS A 59 0.579 5.992 7.065 1.00 0.00 C ATOM 863 O LYS A 59 1.001 5.124 6.300 1.00 0.00 O ATOM 864 CB LYS A 59 1.989 6.039 9.130 1.00 0.00 C ATOM 865 CG LYS A 59 2.213 7.481 9.552 1.00 0.00 C ATOM 866 CD LYS A 59 2.586 8.357 8.367 1.00 0.00 C ATOM 867 CE LYS A 59 2.558 9.833 8.734 1.00 0.00 C ATOM 868 NZ LYS A 59 2.224 10.689 7.563 1.00 0.00 N ATOM 0 H LYS A 59 0.636 3.687 8.381 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.115 6.472 9.030 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.160 5.388 9.987 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.727 5.772 8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.309 7.868 10.022 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.004 7.523 10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.581 8.088 8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.895 8.172 7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.826 9.997 9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.529 10.126 9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.215 11.687 7.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.937 10.552 6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.286 10.427 7.197 1.00 0.00 H new ATOM 882 N ASP A 60 0.096 7.156 6.643 1.00 0.00 N ATOM 883 CA ASP A 60 0.035 7.489 5.225 1.00 0.00 C ATOM 884 C ASP A 60 -0.415 6.285 4.403 1.00 0.00 C ATOM 885 O ASP A 60 -0.044 6.141 3.239 1.00 0.00 O ATOM 886 CB ASP A 60 1.399 7.976 4.734 1.00 0.00 C ATOM 887 CG ASP A 60 1.362 8.445 3.293 1.00 0.00 C ATOM 888 OD1 ASP A 60 0.706 9.472 3.020 1.00 0.00 O ATOM 889 OD2 ASP A 60 1.988 7.784 2.437 1.00 0.00 O ATOM 0 H ASP A 60 -0.259 7.884 7.263 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.695 8.288 5.096 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.740 8.793 5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.126 7.170 4.832 1.00 0.00 H new ATOM 894 N GLY A 61 -1.218 5.421 5.018 1.00 0.00 N ATOM 895 CA GLY A 61 -1.704 4.240 4.329 1.00 0.00 C ATOM 896 C GLY A 61 -0.686 3.117 4.313 1.00 0.00 C ATOM 897 O GLY A 61 -0.583 2.377 3.335 1.00 0.00 O ATOM 0 H GLY A 61 -1.540 5.518 5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.617 3.892 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.966 4.503 3.304 1.00 0.00 H new ATOM 901 N VAL A 62 0.070 2.991 5.399 1.00 0.00 N ATOM 902 CA VAL A 62 1.086 1.951 5.506 1.00 0.00 C ATOM 903 C VAL A 62 1.115 1.352 6.908 1.00 0.00 C ATOM 904 O VAL A 62 1.216 2.060 7.910 1.00 0.00 O ATOM 905 CB VAL A 62 2.486 2.496 5.164 1.00 0.00 C ATOM 906 CG1 VAL A 62 3.480 1.356 5.008 1.00 0.00 C ATOM 907 CG2 VAL A 62 2.433 3.345 3.903 1.00 0.00 C ATOM 0 H VAL A 62 -0.002 3.596 6.217 1.00 0.00 H new ATOM 0 HA VAL A 62 0.821 1.175 4.788 1.00 0.00 H new ATOM 0 HB VAL A 62 2.822 3.128 5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.463 1.761 4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.538 0.794 5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.153 0.695 4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.430 3.722 3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.076 2.738 3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.755 4.184 4.057 1.00 0.00 H new ATOM 917 N PRO A 63 1.023 0.016 6.982 1.00 0.00 N ATOM 918 CA PRO A 63 1.037 -0.708 8.257 1.00 0.00 C ATOM 919 C PRO A 63 2.403 -0.666 8.933 1.00 0.00 C ATOM 920 O PRO A 63 3.421 -0.987 8.319 1.00 0.00 O ATOM 921 CB PRO A 63 0.684 -2.142 7.854 1.00 0.00 C ATOM 922 CG PRO A 63 1.112 -2.252 6.431 1.00 0.00 C ATOM 923 CD PRO A 63 0.900 -0.890 5.829 1.00 0.00 C ATOM 0 HA PRO A 63 0.349 -0.272 8.981 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.202 -2.868 8.480 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.384 -2.332 7.962 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.158 -2.552 6.360 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.528 -3.007 5.905 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.644 -0.669 5.063 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.079 -0.808 5.356 1.00 0.00 H new ATOM 931 N TYR A 64 2.419 -0.267 10.200 1.00 0.00 N ATOM 932 CA TYR A 64 3.661 -0.181 10.959 1.00 0.00 C ATOM 933 C TYR A 64 3.476 -0.732 12.370 1.00 0.00 C ATOM 934 O TYR A 64 2.366 -0.751 12.902 1.00 0.00 O ATOM 935 CB TYR A 64 4.143 1.269 11.025 1.00 0.00 C ATOM 936 CG TYR A 64 4.662 1.795 9.705 1.00 0.00 C ATOM 937 CD1 TYR A 64 5.820 1.279 9.137 1.00 0.00 C ATOM 938 CD2 TYR A 64 3.993 2.806 9.027 1.00 0.00 C ATOM 939 CE1 TYR A 64 6.298 1.757 7.932 1.00 0.00 C ATOM 940 CE2 TYR A 64 4.463 3.290 7.821 1.00 0.00 C ATOM 941 CZ TYR A 64 5.616 2.762 7.278 1.00 0.00 C ATOM 942 OH TYR A 64 6.088 3.240 6.077 1.00 0.00 O ATOM 0 H TYR A 64 1.586 0.002 10.723 1.00 0.00 H new ATOM 0 HA TYR A 64 4.412 -0.784 10.448 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.321 1.901 11.361 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.932 1.347 11.773 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.356 0.491 9.646 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.090 3.221 9.450 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.201 1.346 7.504 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.931 4.077 7.307 1.00 0.00 H new ATOM 0 HH TYR A 64 5.492 3.945 5.748 1.00 0.00 H new ATOM 952 N CYS A 65 4.574 -1.178 12.971 1.00 0.00 N ATOM 953 CA CYS A 65 4.536 -1.730 14.320 1.00 0.00 C ATOM 954 C CYS A 65 4.852 -0.655 15.356 1.00 0.00 C ATOM 955 O CYS A 65 5.346 0.420 15.018 1.00 0.00 O ATOM 956 CB CYS A 65 5.531 -2.886 14.449 1.00 0.00 C ATOM 957 SG CYS A 65 7.275 -2.388 14.280 1.00 0.00 S ATOM 0 H CYS A 65 5.501 -1.168 12.545 1.00 0.00 H new ATOM 0 HA CYS A 65 3.529 -2.104 14.505 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.393 -3.364 15.419 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.303 -3.634 13.690 1.00 0.00 H new ATOM 962 N GLU A 66 4.564 -0.955 16.619 1.00 0.00 N ATOM 963 CA GLU A 66 4.816 -0.014 17.704 1.00 0.00 C ATOM 964 C GLU A 66 6.311 0.257 17.852 1.00 0.00 C ATOM 965 O GLU A 66 6.723 1.106 18.642 1.00 0.00 O ATOM 966 CB GLU A 66 4.251 -0.554 19.019 1.00 0.00 C ATOM 967 CG GLU A 66 2.779 -0.922 18.944 1.00 0.00 C ATOM 968 CD GLU A 66 2.066 -0.750 20.271 1.00 0.00 C ATOM 969 OE1 GLU A 66 2.411 -1.474 21.228 1.00 0.00 O ATOM 970 OE2 GLU A 66 1.162 0.108 20.351 1.00 0.00 O ATOM 0 H GLU A 66 4.156 -1.842 16.916 1.00 0.00 H new ATOM 0 HA GLU A 66 4.316 0.924 17.461 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.822 -1.434 19.316 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.390 0.195 19.799 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.292 -0.303 18.191 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.683 -1.957 18.616 1.00 0.00 H new ATOM 977 N SER A 67 7.117 -0.472 17.087 1.00 0.00 N ATOM 978 CA SER A 67 8.566 -0.315 17.136 1.00 0.00 C ATOM 979 C SER A 67 9.028 0.770 16.169 1.00 0.00 C ATOM 980 O SER A 67 9.447 1.850 16.585 1.00 0.00 O ATOM 981 CB SER A 67 9.255 -1.639 16.802 1.00 0.00 C ATOM 982 OG SER A 67 10.559 -1.690 17.355 1.00 0.00 O ATOM 0 H SER A 67 6.791 -1.177 16.426 1.00 0.00 H new ATOM 0 HA SER A 67 8.840 -0.016 18.148 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.661 -2.468 17.186 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.310 -1.761 15.720 1.00 0.00 H new ATOM 0 HG SER A 67 10.977 -2.547 17.129 1.00 0.00 H new ATOM 988 N ASP A 68 8.947 0.475 14.876 1.00 0.00 N ATOM 989 CA ASP A 68 9.355 1.425 13.848 1.00 0.00 C ATOM 990 C ASP A 68 8.537 2.709 13.939 1.00 0.00 C ATOM 991 O ASP A 68 9.088 3.799 14.094 1.00 0.00 O ATOM 992 CB ASP A 68 9.200 0.804 12.459 1.00 0.00 C ATOM 993 CG ASP A 68 10.209 -0.298 12.202 1.00 0.00 C ATOM 994 OD1 ASP A 68 11.396 -0.106 12.537 1.00 0.00 O ATOM 995 OD2 ASP A 68 9.811 -1.353 11.664 1.00 0.00 O ATOM 0 H ASP A 68 8.602 -0.415 14.515 1.00 0.00 H new ATOM 0 HA ASP A 68 10.404 1.672 14.012 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.192 0.402 12.354 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.313 1.580 11.702 1.00 0.00 H new ATOM 1000 N TYR A 69 7.219 2.573 13.840 1.00 0.00 N ATOM 1001 CA TYR A 69 6.325 3.723 13.908 1.00 0.00 C ATOM 1002 C TYR A 69 6.758 4.686 15.008 1.00 0.00 C ATOM 1003 O TYR A 69 7.014 5.863 14.754 1.00 0.00 O ATOM 1004 CB TYR A 69 4.887 3.263 14.154 1.00 0.00 C ATOM 1005 CG TYR A 69 3.872 4.380 14.073 1.00 0.00 C ATOM 1006 CD1 TYR A 69 3.808 5.361 15.055 1.00 0.00 C ATOM 1007 CD2 TYR A 69 2.976 4.456 13.013 1.00 0.00 C ATOM 1008 CE1 TYR A 69 2.881 6.383 14.985 1.00 0.00 C ATOM 1009 CE2 TYR A 69 2.047 5.475 12.934 1.00 0.00 C ATOM 1010 CZ TYR A 69 2.003 6.436 13.922 1.00 0.00 C ATOM 1011 OH TYR A 69 1.080 7.453 13.848 1.00 0.00 O ATOM 0 H TYR A 69 6.746 1.678 13.712 1.00 0.00 H new ATOM 0 HA TYR A 69 6.374 4.246 12.953 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.630 2.496 13.423 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.826 2.799 15.138 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.495 5.324 15.888 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.007 3.705 12.237 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.844 7.136 15.758 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.359 5.519 12.103 1.00 0.00 H new ATOM 0 HH TYR A 69 0.539 7.345 13.038 1.00 0.00 H new ATOM 1021 N HIS A 70 6.839 4.177 16.234 1.00 0.00 N ATOM 1022 CA HIS A 70 7.243 4.991 17.375 1.00 0.00 C ATOM 1023 C HIS A 70 8.659 5.527 17.186 1.00 0.00 C ATOM 1024 O HIS A 70 9.046 6.517 17.806 1.00 0.00 O ATOM 1025 CB HIS A 70 7.162 4.174 18.665 1.00 0.00 C ATOM 1026 CG HIS A 70 5.789 4.129 19.260 1.00 0.00 C ATOM 1027 ND1 HIS A 70 5.443 4.813 20.407 1.00 0.00 N ATOM 1028 CD2 HIS A 70 4.672 3.478 18.861 1.00 0.00 C ATOM 1029 CE1 HIS A 70 4.173 4.583 20.688 1.00 0.00 C ATOM 1030 NE2 HIS A 70 3.682 3.776 19.765 1.00 0.00 N ATOM 0 H HIS A 70 6.630 3.205 16.462 1.00 0.00 H new ATOM 0 HA HIS A 70 6.560 5.837 17.446 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.495 3.156 18.462 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.852 4.595 19.396 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.577 2.842 17.993 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.629 4.986 21.529 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.723 3.430 19.729 1.00 0.00 H new ATOM 1039 N ALA A 71 9.427 4.866 16.326 1.00 0.00 N ATOM 1040 CA ALA A 71 10.799 5.277 16.055 1.00 0.00 C ATOM 1041 C ALA A 71 10.866 6.200 14.843 1.00 0.00 C ATOM 1042 O ALA A 71 11.849 6.915 14.651 1.00 0.00 O ATOM 1043 CB ALA A 71 11.683 4.057 15.841 1.00 0.00 C ATOM 0 H ALA A 71 9.122 4.044 15.805 1.00 0.00 H new ATOM 0 HA ALA A 71 11.164 5.830 16.921 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.705 4.379 15.640 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.668 3.435 16.736 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.310 3.482 14.994 1.00 0.00 H new ATOM 1049 N GLN A 72 9.816 6.178 14.029 1.00 0.00 N ATOM 1050 CA GLN A 72 9.757 7.012 12.835 1.00 0.00 C ATOM 1051 C GLN A 72 9.167 8.381 13.156 1.00 0.00 C ATOM 1052 O GLN A 72 9.827 9.408 12.994 1.00 0.00 O ATOM 1053 CB GLN A 72 8.927 6.328 11.749 1.00 0.00 C ATOM 1054 CG GLN A 72 9.757 5.510 10.773 1.00 0.00 C ATOM 1055 CD GLN A 72 8.932 4.948 9.632 1.00 0.00 C ATOM 1056 OE1 GLN A 72 8.506 5.680 8.738 1.00 0.00 O ATOM 1057 NE2 GLN A 72 8.700 3.640 9.656 1.00 0.00 N ATOM 0 H GLN A 72 8.994 5.591 14.175 1.00 0.00 H new ATOM 0 HA GLN A 72 10.775 7.151 12.470 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.191 5.677 12.222 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.373 7.086 11.195 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.553 6.134 10.367 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.236 4.690 11.308 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.072 3.070 10.416 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.150 3.206 8.915 1.00 0.00 H new ATOM 1066 N PHE A 73 7.918 8.390 13.612 1.00 0.00 N ATOM 1067 CA PHE A 73 7.238 9.633 13.955 1.00 0.00 C ATOM 1068 C PHE A 73 7.092 9.774 15.467 1.00 0.00 C ATOM 1069 O PHE A 73 6.796 10.855 15.975 1.00 0.00 O ATOM 1070 CB PHE A 73 5.860 9.685 13.291 1.00 0.00 C ATOM 1071 CG PHE A 73 5.887 9.347 11.828 1.00 0.00 C ATOM 1072 CD1 PHE A 73 5.984 8.030 11.409 1.00 0.00 C ATOM 1073 CD2 PHE A 73 5.814 10.347 10.871 1.00 0.00 C ATOM 1074 CE1 PHE A 73 6.009 7.717 10.063 1.00 0.00 C ATOM 1075 CE2 PHE A 73 5.839 10.039 9.523 1.00 0.00 C ATOM 1076 CZ PHE A 73 5.935 8.722 9.119 1.00 0.00 C ATOM 0 H PHE A 73 7.357 7.550 13.752 1.00 0.00 H new ATOM 0 HA PHE A 73 7.843 10.462 13.587 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.192 8.993 13.804 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.442 10.684 13.417 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.041 7.239 12.142 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.737 11.378 11.182 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.086 6.686 9.750 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.784 10.828 8.787 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.952 8.479 8.067 1.00 0.00 H new ATOM 1086 N GLY A 74 7.302 8.673 16.181 1.00 0.00 N ATOM 1087 CA GLY A 74 7.189 8.694 17.628 1.00 0.00 C ATOM 1088 C GLY A 74 8.336 9.432 18.289 1.00 0.00 C ATOM 1089 O GLY A 74 8.130 10.206 19.223 1.00 0.00 O ATOM 0 H GLY A 74 7.548 7.766 15.784 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.248 9.166 17.909 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.156 7.671 18.002 1.00 0.00 H new ATOM 1093 N SER A 75 9.550 9.190 17.804 1.00 0.00 N ATOM 1094 CA SER A 75 10.736 9.833 18.358 1.00 0.00 C ATOM 1095 C SER A 75 11.133 11.049 17.526 1.00 0.00 C ATOM 1096 O SER A 75 11.165 10.991 16.297 1.00 0.00 O ATOM 1097 CB SER A 75 11.899 8.841 18.418 1.00 0.00 C ATOM 1098 OG SER A 75 13.114 9.497 18.738 1.00 0.00 O ATOM 0 H SER A 75 9.738 8.554 17.029 1.00 0.00 H new ATOM 0 HA SER A 75 10.500 10.167 19.368 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.689 8.074 19.164 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.998 8.334 17.458 1.00 0.00 H new ATOM 0 HG SER A 75 13.841 8.841 18.772 1.00 0.00 H new ATOM 1104 N GLY A 76 11.436 12.151 18.206 1.00 0.00 N ATOM 1105 CA GLY A 76 11.826 13.366 17.515 1.00 0.00 C ATOM 1106 C GLY A 76 13.117 13.950 18.054 1.00 0.00 C ATOM 1107 O GLY A 76 14.214 13.506 17.713 1.00 0.00 O ATOM 0 H GLY A 76 11.418 12.224 19.223 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.942 13.155 16.452 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.030 14.105 17.608 1.00 0.00 H new ATOM 1111 N PRO A 77 12.995 14.971 18.915 1.00 0.00 N ATOM 1112 CA PRO A 77 14.151 15.640 19.519 1.00 0.00 C ATOM 1113 C PRO A 77 14.875 14.750 20.524 1.00 0.00 C ATOM 1114 O PRO A 77 14.463 13.617 20.774 1.00 0.00 O ATOM 1115 CB PRO A 77 13.532 16.850 20.223 1.00 0.00 C ATOM 1116 CG PRO A 77 12.125 16.448 20.501 1.00 0.00 C ATOM 1117 CD PRO A 77 11.718 15.551 19.365 1.00 0.00 C ATOM 0 HA PRO A 77 14.905 15.902 18.777 1.00 0.00 H new ATOM 0 HB2 PRO A 77 14.065 17.088 21.144 1.00 0.00 H new ATOM 0 HB3 PRO A 77 13.573 17.738 19.593 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.049 15.927 21.456 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.475 17.321 20.561 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.019 14.781 19.692 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.227 16.109 18.568 1.00 0.00 H new ATOM 1125 N SER A 78 15.954 15.271 21.099 1.00 0.00 N ATOM 1126 CA SER A 78 16.737 14.523 22.075 1.00 0.00 C ATOM 1127 C SER A 78 15.832 13.892 23.129 1.00 0.00 C ATOM 1128 O SER A 78 15.863 12.681 23.345 1.00 0.00 O ATOM 1129 CB SER A 78 17.762 15.438 22.748 1.00 0.00 C ATOM 1130 OG SER A 78 18.633 14.699 23.586 1.00 0.00 O ATOM 0 H SER A 78 16.306 16.209 20.906 1.00 0.00 H new ATOM 0 HA SER A 78 17.263 13.726 21.548 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.341 15.961 21.987 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.246 16.198 23.335 1.00 0.00 H new ATOM 0 HG SER A 78 19.279 15.306 24.003 1.00 0.00 H new ATOM 1136 N SER A 79 15.026 14.724 23.782 1.00 0.00 N ATOM 1137 CA SER A 79 14.114 14.249 24.816 1.00 0.00 C ATOM 1138 C SER A 79 12.827 13.711 24.200 1.00 0.00 C ATOM 1139 O SER A 79 11.728 14.047 24.639 1.00 0.00 O ATOM 1140 CB SER A 79 13.790 15.378 25.797 1.00 0.00 C ATOM 1141 OG SER A 79 14.747 15.438 26.840 1.00 0.00 O ATOM 0 H SER A 79 14.986 15.729 23.613 1.00 0.00 H new ATOM 0 HA SER A 79 14.605 13.438 25.354 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.766 16.330 25.266 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.797 15.223 26.219 1.00 0.00 H new ATOM 0 HG SER A 79 14.518 16.168 27.452 1.00 0.00 H new ATOM 1147 N GLY A 80 12.973 12.871 23.179 1.00 0.00 N ATOM 1148 CA GLY A 80 11.814 12.299 22.518 1.00 0.00 C ATOM 1149 C GLY A 80 11.633 10.828 22.836 1.00 0.00 C ATOM 1150 O GLY A 80 10.640 10.470 23.468 1.00 0.00 O ATOM 0 H GLY A 80 13.872 12.577 22.798 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.921 12.846 22.820 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.915 12.425 21.440 1.00 0.00 H new TER 1154 GLY A 80 HETATM 1155 ZN ZN A 201 -0.981 -12.517 0.685 1.00 0.00 ZN HETATM 1156 ZN ZN A 401 8.266 -2.220 12.346 1.00 0.00 ZN