USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 516 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 24 HIS HD1 : A 24 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HD1 : A 48 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 51 HIS HD1 : A 51 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 44 MET CE :methyl -147:sc= -6.84! (180deg=-8.56!) USER MOD Set 1.2: A 53 THR OG1 : rot -100:sc= -0.189 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0593 (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= -0.0922 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -150:sc= 1.1 (180deg=0.48) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -163:sc= 0.00383 USER MOD Single : A 28 MET CE :methyl -103:sc=-0.00787 (180deg=-1.99!) USER MOD Single : A 33 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.25) USER MOD Single : A 34 THR OG1 : rot -140:sc= -0.015 USER MOD Single : A 36 GLN : amide:sc= -0.547 K(o=-0.55,f=-1.9!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -1.28 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.124 F(o=-2!,f=-0.12) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0691 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 7:sc= 0.701 USER MOD Single : A 71 SER OG : rot 51:sc= 0.416 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 43.458 6.043 15.422 1.00 0.00 N ATOM 2 CA GLY A 1 43.840 6.907 14.320 1.00 0.00 C ATOM 3 C GLY A 1 42.673 7.709 13.780 1.00 0.00 C ATOM 4 O GLY A 1 41.514 7.369 14.017 1.00 0.00 O ATOM 0 H1 GLY A 1 43.913 6.374 16.297 1.00 0.00 H new ATOM 0 H2 GLY A 1 42.425 6.066 15.539 1.00 0.00 H new ATOM 0 H3 GLY A 1 43.762 5.069 15.221 1.00 0.00 H new ATOM 0 HA2 GLY A 1 44.623 7.589 14.652 1.00 0.00 H new ATOM 0 HA3 GLY A 1 44.263 6.302 13.518 1.00 0.00 H new ATOM 8 N SER A 2 42.979 8.779 13.053 1.00 0.00 N ATOM 9 CA SER A 2 41.946 9.636 12.482 1.00 0.00 C ATOM 10 C SER A 2 41.791 9.377 10.986 1.00 0.00 C ATOM 11 O SER A 2 40.682 9.174 10.492 1.00 0.00 O ATOM 12 CB SER A 2 42.283 11.108 12.724 1.00 0.00 C ATOM 13 OG SER A 2 41.111 11.904 12.740 1.00 0.00 O ATOM 0 H SER A 2 43.933 9.073 12.845 1.00 0.00 H new ATOM 0 HA SER A 2 41.002 9.402 12.974 1.00 0.00 H new ATOM 0 HB2 SER A 2 42.810 11.212 13.672 1.00 0.00 H new ATOM 0 HB3 SER A 2 42.957 11.463 11.944 1.00 0.00 H new ATOM 0 HG SER A 2 41.354 12.840 12.898 1.00 0.00 H new ATOM 19 N SER A 3 42.912 9.386 10.272 1.00 0.00 N ATOM 20 CA SER A 3 42.902 9.156 8.832 1.00 0.00 C ATOM 21 C SER A 3 42.018 7.964 8.478 1.00 0.00 C ATOM 22 O SER A 3 41.834 7.053 9.283 1.00 0.00 O ATOM 23 CB SER A 3 44.325 8.920 8.322 1.00 0.00 C ATOM 24 OG SER A 3 44.952 10.142 7.976 1.00 0.00 O ATOM 0 H SER A 3 43.838 9.550 10.667 1.00 0.00 H new ATOM 0 HA SER A 3 42.494 10.044 8.350 1.00 0.00 H new ATOM 0 HB2 SER A 3 44.910 8.412 9.089 1.00 0.00 H new ATOM 0 HB3 SER A 3 44.299 8.262 7.453 1.00 0.00 H new ATOM 0 HG SER A 3 45.861 9.964 7.655 1.00 0.00 H new ATOM 30 N GLY A 4 41.473 7.979 7.265 1.00 0.00 N ATOM 31 CA GLY A 4 40.614 6.895 6.824 1.00 0.00 C ATOM 32 C GLY A 4 39.249 7.380 6.380 1.00 0.00 C ATOM 33 O GLY A 4 39.129 8.443 5.770 1.00 0.00 O ATOM 0 H GLY A 4 41.611 8.722 6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 4 41.094 6.367 6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 4 40.495 6.177 7.636 1.00 0.00 H new ATOM 37 N SER A 5 38.217 6.600 6.685 1.00 0.00 N ATOM 38 CA SER A 5 36.853 6.954 6.308 1.00 0.00 C ATOM 39 C SER A 5 35.946 7.004 7.534 1.00 0.00 C ATOM 40 O SER A 5 36.351 6.630 8.635 1.00 0.00 O ATOM 41 CB SER A 5 36.304 5.948 5.295 1.00 0.00 C ATOM 42 OG SER A 5 36.254 4.644 5.846 1.00 0.00 O ATOM 0 H SER A 5 38.299 5.719 7.192 1.00 0.00 H new ATOM 0 HA SER A 5 36.874 7.944 5.852 1.00 0.00 H new ATOM 0 HB2 SER A 5 35.305 6.252 4.981 1.00 0.00 H new ATOM 0 HB3 SER A 5 36.932 5.946 4.404 1.00 0.00 H new ATOM 0 HG SER A 5 35.898 4.020 5.179 1.00 0.00 H new ATOM 48 N SER A 6 34.717 7.469 7.334 1.00 0.00 N ATOM 49 CA SER A 6 33.753 7.573 8.423 1.00 0.00 C ATOM 50 C SER A 6 32.325 7.478 7.895 1.00 0.00 C ATOM 51 O SER A 6 31.937 8.210 6.986 1.00 0.00 O ATOM 52 CB SER A 6 33.943 8.891 9.177 1.00 0.00 C ATOM 53 OG SER A 6 35.269 9.015 9.660 1.00 0.00 O ATOM 0 H SER A 6 34.365 7.780 6.428 1.00 0.00 H new ATOM 0 HA SER A 6 33.925 6.743 9.108 1.00 0.00 H new ATOM 0 HB2 SER A 6 33.713 9.728 8.517 1.00 0.00 H new ATOM 0 HB3 SER A 6 33.243 8.941 10.011 1.00 0.00 H new ATOM 0 HG SER A 6 35.365 9.866 10.137 1.00 0.00 H new ATOM 59 N GLY A 7 31.546 6.568 8.473 1.00 0.00 N ATOM 60 CA GLY A 7 30.170 6.392 8.048 1.00 0.00 C ATOM 61 C GLY A 7 29.380 7.685 8.092 1.00 0.00 C ATOM 62 O GLY A 7 29.367 8.444 7.123 1.00 0.00 O ATOM 0 H GLY A 7 31.844 5.950 9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 7 30.154 5.995 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 7 29.687 5.653 8.687 1.00 0.00 H new ATOM 66 N GLN A 8 28.718 7.934 9.217 1.00 0.00 N ATOM 67 CA GLN A 8 27.920 9.143 9.381 1.00 0.00 C ATOM 68 C GLN A 8 27.167 9.477 8.097 1.00 0.00 C ATOM 69 O GLN A 8 27.086 10.638 7.696 1.00 0.00 O ATOM 70 CB GLN A 8 28.813 10.319 9.782 1.00 0.00 C ATOM 71 CG GLN A 8 29.836 10.695 8.723 1.00 0.00 C ATOM 72 CD GLN A 8 30.749 11.820 9.167 1.00 0.00 C ATOM 73 OE1 GLN A 8 31.586 11.643 10.053 1.00 0.00 O ATOM 74 NE2 GLN A 8 30.594 12.987 8.553 1.00 0.00 N ATOM 0 H GLN A 8 28.718 7.315 10.028 1.00 0.00 H new ATOM 0 HA GLN A 8 27.192 8.962 10.172 1.00 0.00 H new ATOM 0 HB2 GLN A 8 28.186 11.185 9.993 1.00 0.00 H new ATOM 0 HB3 GLN A 8 29.334 10.070 10.706 1.00 0.00 H new ATOM 0 HG2 GLN A 8 30.437 9.820 8.477 1.00 0.00 H new ATOM 0 HG3 GLN A 8 29.317 10.992 7.811 1.00 0.00 H new ATOM 0 HE21 GLN A 8 29.888 13.090 7.824 1.00 0.00 H new ATOM 0 HE22 GLN A 8 31.181 13.781 8.810 1.00 0.00 H new ATOM 83 N LEU A 9 26.617 8.451 7.457 1.00 0.00 N ATOM 84 CA LEU A 9 25.869 8.635 6.217 1.00 0.00 C ATOM 85 C LEU A 9 24.531 9.315 6.484 1.00 0.00 C ATOM 86 O LEU A 9 24.028 9.300 7.609 1.00 0.00 O ATOM 87 CB LEU A 9 25.641 7.287 5.532 1.00 0.00 C ATOM 88 CG LEU A 9 25.494 7.324 4.010 1.00 0.00 C ATOM 89 CD1 LEU A 9 26.849 7.519 3.347 1.00 0.00 C ATOM 90 CD2 LEU A 9 24.830 6.050 3.507 1.00 0.00 C ATOM 0 H LEU A 9 26.674 7.484 7.775 1.00 0.00 H new ATOM 0 HA LEU A 9 26.456 9.276 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 9 26.475 6.630 5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 9 24.743 6.835 5.953 1.00 0.00 H new ATOM 0 HG LEU A 9 24.859 8.170 3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 9 26.724 7.543 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 9 27.286 8.459 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 9 27.509 6.695 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 9 24.734 6.094 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 9 25.439 5.189 3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 9 23.841 5.954 3.956 1.00 0.00 H new ATOM 102 N LEU A 10 23.957 9.910 5.444 1.00 0.00 N ATOM 103 CA LEU A 10 22.674 10.594 5.565 1.00 0.00 C ATOM 104 C LEU A 10 22.116 10.951 4.191 1.00 0.00 C ATOM 105 O LEU A 10 22.864 11.091 3.224 1.00 0.00 O ATOM 106 CB LEU A 10 22.827 11.859 6.411 1.00 0.00 C ATOM 107 CG LEU A 10 23.729 12.949 5.831 1.00 0.00 C ATOM 108 CD1 LEU A 10 23.016 13.694 4.713 1.00 0.00 C ATOM 109 CD2 LEU A 10 24.168 13.915 6.922 1.00 0.00 C ATOM 0 H LEU A 10 24.360 9.933 4.507 1.00 0.00 H new ATOM 0 HA LEU A 10 21.974 9.918 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 10 21.837 12.284 6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 10 23.218 11.574 7.388 1.00 0.00 H new ATOM 0 HG LEU A 10 24.617 12.474 5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 10 23.674 14.466 4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 10 22.753 12.994 3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 10 22.110 14.157 5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.809 14.684 6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.291 14.383 7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 10 24.719 13.371 7.689 1.00 0.00 H new ATOM 121 N GLU A 11 20.797 11.099 4.114 1.00 0.00 N ATOM 122 CA GLU A 11 20.140 11.442 2.859 1.00 0.00 C ATOM 123 C GLU A 11 18.850 12.217 3.114 1.00 0.00 C ATOM 124 O GLU A 11 18.081 11.909 4.024 1.00 0.00 O ATOM 125 CB GLU A 11 19.836 10.176 2.054 1.00 0.00 C ATOM 126 CG GLU A 11 20.981 9.736 1.157 1.00 0.00 C ATOM 127 CD GLU A 11 21.282 10.740 0.061 1.00 0.00 C ATOM 128 OE1 GLU A 11 20.477 10.840 -0.888 1.00 0.00 O ATOM 129 OE2 GLU A 11 22.322 11.425 0.153 1.00 0.00 O ATOM 0 H GLU A 11 20.163 10.987 4.905 1.00 0.00 H new ATOM 0 HA GLU A 11 20.817 12.075 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 11 19.594 9.367 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 11 18.951 10.349 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.875 9.586 1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 11 20.736 8.774 0.706 1.00 0.00 H new ATOM 136 N PRO A 12 18.608 13.249 2.291 1.00 0.00 N ATOM 137 CA PRO A 12 17.413 14.090 2.407 1.00 0.00 C ATOM 138 C PRO A 12 16.141 13.348 2.010 1.00 0.00 C ATOM 139 O PRO A 12 16.165 12.140 1.772 1.00 0.00 O ATOM 140 CB PRO A 12 17.690 15.236 1.431 1.00 0.00 C ATOM 141 CG PRO A 12 18.636 14.663 0.433 1.00 0.00 C ATOM 142 CD PRO A 12 19.482 13.673 1.185 1.00 0.00 C ATOM 0 HA PRO A 12 17.243 14.417 3.433 1.00 0.00 H new ATOM 0 HB2 PRO A 12 16.772 15.581 0.954 1.00 0.00 H new ATOM 0 HB3 PRO A 12 18.126 16.095 1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.098 14.177 -0.381 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.252 15.443 -0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.771 12.831 0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 12 20.402 14.127 1.552 1.00 0.00 H new ATOM 150 N ILE A 13 15.033 14.078 1.941 1.00 0.00 N ATOM 151 CA ILE A 13 13.752 13.488 1.571 1.00 0.00 C ATOM 152 C ILE A 13 13.547 13.522 0.060 1.00 0.00 C ATOM 153 O ILE A 13 13.150 14.544 -0.500 1.00 0.00 O ATOM 154 CB ILE A 13 12.579 14.216 2.254 1.00 0.00 C ATOM 155 CG1 ILE A 13 13.001 14.727 3.633 1.00 0.00 C ATOM 156 CG2 ILE A 13 11.377 13.291 2.370 1.00 0.00 C ATOM 157 CD1 ILE A 13 13.604 16.113 3.606 1.00 0.00 C ATOM 0 H ILE A 13 14.996 15.078 2.136 1.00 0.00 H new ATOM 0 HA ILE A 13 13.772 12.452 1.909 1.00 0.00 H new ATOM 0 HB ILE A 13 12.296 15.072 1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 13 12.132 14.730 4.291 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.724 14.034 4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 13 10.556 13.820 2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.066 12.972 1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.646 12.417 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 13 13.879 16.410 4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 13 14.492 16.111 2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 13 12.876 16.819 3.206 1.00 0.00 H new ATOM 169 N ARG A 14 13.819 12.397 -0.594 1.00 0.00 N ATOM 170 CA ARG A 14 13.664 12.298 -2.040 1.00 0.00 C ATOM 171 C ARG A 14 12.514 11.362 -2.400 1.00 0.00 C ATOM 172 O ARG A 14 11.652 11.705 -3.210 1.00 0.00 O ATOM 173 CB ARG A 14 14.961 11.799 -2.680 1.00 0.00 C ATOM 174 CG ARG A 14 14.819 11.458 -4.155 1.00 0.00 C ATOM 175 CD ARG A 14 15.080 12.670 -5.035 1.00 0.00 C ATOM 176 NE ARG A 14 15.444 12.290 -6.397 1.00 0.00 N ATOM 177 CZ ARG A 14 16.682 11.987 -6.769 1.00 0.00 C ATOM 178 NH1 ARG A 14 17.670 12.019 -5.885 1.00 0.00 N ATOM 179 NH2 ARG A 14 16.934 11.650 -8.028 1.00 0.00 N ATOM 0 H ARG A 14 14.148 11.542 -0.145 1.00 0.00 H new ATOM 0 HA ARG A 14 13.436 13.292 -2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 14 15.731 12.562 -2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.305 10.915 -2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 14 15.517 10.662 -4.414 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.816 11.077 -4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 14 14.190 13.298 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 14 15.880 13.268 -4.600 1.00 0.00 H new ATOM 0 HE ARG A 14 14.707 12.255 -7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 14 17.480 12.277 -4.917 1.00 0.00 H new ATOM 0 HH12 ARG A 14 18.620 11.786 -6.173 1.00 0.00 H new ATOM 0 HH21 ARG A 14 16.176 11.624 -8.710 1.00 0.00 H new ATOM 0 HH22 ARG A 14 17.885 11.417 -8.313 1.00 0.00 H new ATOM 193 N ASP A 15 12.507 10.181 -1.793 1.00 0.00 N ATOM 194 CA ASP A 15 11.462 9.196 -2.049 1.00 0.00 C ATOM 195 C ASP A 15 10.897 8.650 -0.741 1.00 0.00 C ATOM 196 O ASP A 15 10.152 7.670 -0.735 1.00 0.00 O ATOM 197 CB ASP A 15 12.011 8.049 -2.899 1.00 0.00 C ATOM 198 CG ASP A 15 13.232 7.400 -2.278 1.00 0.00 C ATOM 199 OD1 ASP A 15 14.248 8.103 -2.094 1.00 0.00 O ATOM 200 OD2 ASP A 15 13.172 6.190 -1.976 1.00 0.00 O ATOM 0 H ASP A 15 13.213 9.882 -1.120 1.00 0.00 H new ATOM 0 HA ASP A 15 10.657 9.690 -2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.233 7.297 -3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.267 8.425 -3.889 1.00 0.00 H new ATOM 205 N PHE A 16 11.257 9.292 0.366 1.00 0.00 N ATOM 206 CA PHE A 16 10.787 8.870 1.680 1.00 0.00 C ATOM 207 C PHE A 16 9.375 9.384 1.944 1.00 0.00 C ATOM 208 O PHE A 16 8.511 8.642 2.410 1.00 0.00 O ATOM 209 CB PHE A 16 11.737 9.373 2.770 1.00 0.00 C ATOM 210 CG PHE A 16 11.218 9.158 4.163 1.00 0.00 C ATOM 211 CD1 PHE A 16 10.995 7.878 4.644 1.00 0.00 C ATOM 212 CD2 PHE A 16 10.954 10.237 4.992 1.00 0.00 C ATOM 213 CE1 PHE A 16 10.517 7.678 5.925 1.00 0.00 C ATOM 214 CE2 PHE A 16 10.476 10.043 6.274 1.00 0.00 C ATOM 215 CZ PHE A 16 10.258 8.761 6.742 1.00 0.00 C ATOM 0 H PHE A 16 11.872 10.106 0.379 1.00 0.00 H new ATOM 0 HA PHE A 16 10.767 7.780 1.699 1.00 0.00 H new ATOM 0 HB2 PHE A 16 12.697 8.867 2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 16 11.920 10.437 2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.197 7.027 4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.124 11.241 4.632 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.346 6.675 6.287 1.00 0.00 H new ATOM 0 HE2 PHE A 16 10.273 10.892 6.910 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.886 8.606 7.744 1.00 0.00 H new ATOM 225 N GLU A 17 9.150 10.659 1.643 1.00 0.00 N ATOM 226 CA GLU A 17 7.843 11.272 1.848 1.00 0.00 C ATOM 227 C GLU A 17 7.313 11.873 0.550 1.00 0.00 C ATOM 228 O GLU A 17 6.721 12.952 0.549 1.00 0.00 O ATOM 229 CB GLU A 17 7.927 12.354 2.927 1.00 0.00 C ATOM 230 CG GLU A 17 7.882 11.807 4.344 1.00 0.00 C ATOM 231 CD GLU A 17 6.472 11.495 4.805 1.00 0.00 C ATOM 232 OE1 GLU A 17 5.620 12.408 4.765 1.00 0.00 O ATOM 233 OE2 GLU A 17 6.219 10.340 5.205 1.00 0.00 O ATOM 0 H GLU A 17 9.855 11.287 1.257 1.00 0.00 H new ATOM 0 HA GLU A 17 7.153 10.494 2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.851 12.917 2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.104 13.055 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.487 10.902 4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.330 12.532 5.024 1.00 0.00 H new ATOM 240 N ALA A 18 7.531 11.167 -0.555 1.00 0.00 N ATOM 241 CA ALA A 18 7.076 11.629 -1.860 1.00 0.00 C ATOM 242 C ALA A 18 6.044 10.674 -2.450 1.00 0.00 C ATOM 243 O ALA A 18 5.436 10.962 -3.482 1.00 0.00 O ATOM 244 CB ALA A 18 8.256 11.784 -2.806 1.00 0.00 C ATOM 0 H ALA A 18 8.020 10.272 -0.572 1.00 0.00 H new ATOM 0 HA ALA A 18 6.601 12.601 -1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.901 12.130 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.958 12.511 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.757 10.823 -2.924 1.00 0.00 H new ATOM 250 N ARG A 19 5.851 9.536 -1.791 1.00 0.00 N ATOM 251 CA ARG A 19 4.894 8.538 -2.252 1.00 0.00 C ATOM 252 C ARG A 19 3.561 8.686 -1.525 1.00 0.00 C ATOM 253 O ARG A 19 3.275 7.957 -0.575 1.00 0.00 O ATOM 254 CB ARG A 19 5.451 7.129 -2.038 1.00 0.00 C ATOM 255 CG ARG A 19 6.249 6.603 -3.219 1.00 0.00 C ATOM 256 CD ARG A 19 5.344 6.239 -4.385 1.00 0.00 C ATOM 257 NE ARG A 19 6.102 5.763 -5.539 1.00 0.00 N ATOM 258 CZ ARG A 19 6.545 4.517 -5.665 1.00 0.00 C ATOM 259 NH1 ARG A 19 6.306 3.626 -4.713 1.00 0.00 N ATOM 260 NH2 ARG A 19 7.229 4.161 -6.745 1.00 0.00 N ATOM 0 H ARG A 19 6.345 9.282 -0.936 1.00 0.00 H new ATOM 0 HA ARG A 19 4.726 8.697 -3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.087 7.130 -1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.624 6.448 -1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.969 7.357 -3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.820 5.726 -2.912 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.640 5.468 -4.071 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.755 7.110 -4.672 1.00 0.00 H new ATOM 0 HE ARG A 19 6.302 6.424 -6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.781 3.897 -3.881 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.647 2.670 -4.812 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.415 4.844 -7.479 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.569 3.204 -6.841 1.00 0.00 H new ATOM 274 N LYS A 20 2.749 9.635 -1.978 1.00 0.00 N ATOM 275 CA LYS A 20 1.445 9.880 -1.372 1.00 0.00 C ATOM 276 C LYS A 20 0.323 9.616 -2.371 1.00 0.00 C ATOM 277 O LYS A 20 0.551 9.577 -3.580 1.00 0.00 O ATOM 278 CB LYS A 20 1.359 11.320 -0.862 1.00 0.00 C ATOM 279 CG LYS A 20 2.254 11.596 0.334 1.00 0.00 C ATOM 280 CD LYS A 20 2.719 13.042 0.361 1.00 0.00 C ATOM 281 CE LYS A 20 3.633 13.356 -0.813 1.00 0.00 C ATOM 282 NZ LYS A 20 4.573 14.468 -0.503 1.00 0.00 N ATOM 0 H LYS A 20 2.971 10.247 -2.763 1.00 0.00 H new ATOM 0 HA LYS A 20 1.328 9.196 -0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.628 12.000 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.326 11.540 -0.591 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.714 11.369 1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.120 10.935 0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.853 13.704 0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.245 13.239 1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.201 12.465 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.030 13.622 -1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.799 14.985 -1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.130 15.117 0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.447 14.080 -0.094 1.00 0.00 H new ATOM 296 N CYS A 21 -0.890 9.436 -1.858 1.00 0.00 N ATOM 297 CA CYS A 21 -2.048 9.177 -2.704 1.00 0.00 C ATOM 298 C CYS A 21 -2.399 10.406 -3.538 1.00 0.00 C ATOM 299 O CYS A 21 -2.553 11.513 -3.023 1.00 0.00 O ATOM 300 CB CYS A 21 -3.249 8.768 -1.849 1.00 0.00 C ATOM 301 SG CYS A 21 -4.740 8.354 -2.811 1.00 0.00 S ATOM 0 H CYS A 21 -1.096 9.465 -0.859 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.797 8.360 -3.381 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.972 7.907 -1.240 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.486 9.581 -1.163 1.00 0.00 H new ATOM 306 N PRO A 22 -2.528 10.208 -4.858 1.00 0.00 N ATOM 307 CA PRO A 22 -2.862 11.287 -5.792 1.00 0.00 C ATOM 308 C PRO A 22 -4.298 11.774 -5.625 1.00 0.00 C ATOM 309 O PRO A 22 -4.669 12.832 -6.134 1.00 0.00 O ATOM 310 CB PRO A 22 -2.674 10.639 -7.166 1.00 0.00 C ATOM 311 CG PRO A 22 -2.874 9.182 -6.928 1.00 0.00 C ATOM 312 CD PRO A 22 -2.358 8.914 -5.541 1.00 0.00 C ATOM 0 HA PRO A 22 -2.242 12.169 -5.634 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.394 11.025 -7.888 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.681 10.842 -7.567 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.927 8.914 -7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.335 8.588 -7.666 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.922 8.122 -5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.314 8.601 -5.554 1.00 0.00 H new ATOM 320 N VAL A 23 -5.102 10.995 -4.908 1.00 0.00 N ATOM 321 CA VAL A 23 -6.497 11.348 -4.673 1.00 0.00 C ATOM 322 C VAL A 23 -6.675 12.006 -3.309 1.00 0.00 C ATOM 323 O VAL A 23 -7.478 12.927 -3.152 1.00 0.00 O ATOM 324 CB VAL A 23 -7.411 10.111 -4.757 1.00 0.00 C ATOM 325 CG1 VAL A 23 -8.854 10.492 -4.464 1.00 0.00 C ATOM 326 CG2 VAL A 23 -7.292 9.453 -6.123 1.00 0.00 C ATOM 0 H VAL A 23 -4.811 10.116 -4.480 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.781 12.054 -5.454 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.090 9.392 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.485 9.605 -4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.922 10.914 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.191 11.230 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.944 8.581 -6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.586 10.163 -6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.260 9.143 -6.289 1.00 0.00 H new ATOM 336 N HIS A 24 -5.921 11.528 -2.325 1.00 0.00 N ATOM 337 CA HIS A 24 -5.995 12.070 -0.973 1.00 0.00 C ATOM 338 C HIS A 24 -4.754 12.899 -0.652 1.00 0.00 C ATOM 339 O HIS A 24 -4.855 14.008 -0.128 1.00 0.00 O ATOM 340 CB HIS A 24 -6.144 10.940 0.046 1.00 0.00 C ATOM 341 CG HIS A 24 -7.444 10.203 -0.064 1.00 0.00 C ATOM 342 ND1 HIS A 24 -7.565 8.982 -0.694 1.00 0.00 N ATOM 343 CD2 HIS A 24 -8.682 10.520 0.381 1.00 0.00 C ATOM 344 CE1 HIS A 24 -8.822 8.581 -0.633 1.00 0.00 C ATOM 345 NE2 HIS A 24 -9.521 9.496 0.015 1.00 0.00 N ATOM 0 H HIS A 24 -5.252 10.767 -2.438 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.870 12.718 -0.916 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.323 10.234 -0.083 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.054 11.353 1.051 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.959 11.412 0.923 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.212 7.661 -1.043 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -10.521 9.449 0.211 1.00 0.00 H new ATOM 353 N GLY A 25 -3.585 12.352 -0.970 1.00 0.00 N ATOM 354 CA GLY A 25 -2.342 13.055 -0.707 1.00 0.00 C ATOM 355 C GLY A 25 -1.642 12.548 0.538 1.00 0.00 C ATOM 356 O GLY A 25 -0.699 13.170 1.027 1.00 0.00 O ATOM 0 H GLY A 25 -3.476 11.436 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.678 12.945 -1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.547 14.120 -0.597 1.00 0.00 H new ATOM 360 N LYS A 26 -2.104 11.414 1.055 1.00 0.00 N ATOM 361 CA LYS A 26 -1.517 10.823 2.252 1.00 0.00 C ATOM 362 C LYS A 26 -0.477 9.769 1.884 1.00 0.00 C ATOM 363 O LYS A 26 -0.724 8.905 1.042 1.00 0.00 O ATOM 364 CB LYS A 26 -2.607 10.196 3.124 1.00 0.00 C ATOM 365 CG LYS A 26 -3.755 11.141 3.435 1.00 0.00 C ATOM 366 CD LYS A 26 -3.506 11.917 4.718 1.00 0.00 C ATOM 367 CE LYS A 26 -4.573 12.977 4.944 1.00 0.00 C ATOM 368 NZ LYS A 26 -4.196 14.282 4.333 1.00 0.00 N ATOM 0 H LYS A 26 -2.884 10.886 0.663 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.023 11.616 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.000 9.313 2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.162 9.858 4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.889 11.838 2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.681 10.573 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.490 11.229 5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.525 12.390 4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.518 12.637 4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.733 13.109 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.949 14.978 4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.307 14.619 4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.069 14.161 3.308 1.00 0.00 H new ATOM 382 N THR A 27 0.687 9.846 2.521 1.00 0.00 N ATOM 383 CA THR A 27 1.764 8.899 2.260 1.00 0.00 C ATOM 384 C THR A 27 1.228 7.477 2.138 1.00 0.00 C ATOM 385 O THR A 27 0.726 6.907 3.106 1.00 0.00 O ATOM 386 CB THR A 27 2.829 8.940 3.373 1.00 0.00 C ATOM 387 OG1 THR A 27 3.323 10.275 3.530 1.00 0.00 O ATOM 388 CG2 THR A 27 3.983 8.002 3.052 1.00 0.00 C ATOM 0 H THR A 27 0.908 10.554 3.221 1.00 0.00 H new ATOM 0 HA THR A 27 2.223 9.194 1.316 1.00 0.00 H new ATOM 0 HB THR A 27 2.363 8.614 4.303 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.169 10.255 4.025 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.722 8.048 3.852 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.609 6.982 2.962 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.446 8.303 2.112 1.00 0.00 H new ATOM 396 N MET A 28 1.339 6.909 0.941 1.00 0.00 N ATOM 397 CA MET A 28 0.867 5.552 0.694 1.00 0.00 C ATOM 398 C MET A 28 1.733 4.532 1.426 1.00 0.00 C ATOM 399 O MET A 28 2.900 4.338 1.086 1.00 0.00 O ATOM 400 CB MET A 28 0.868 5.255 -0.807 1.00 0.00 C ATOM 401 CG MET A 28 -0.208 6.005 -1.576 1.00 0.00 C ATOM 402 SD MET A 28 -0.378 5.427 -3.276 1.00 0.00 S ATOM 403 CE MET A 28 0.836 6.451 -4.104 1.00 0.00 C ATOM 0 H MET A 28 1.751 7.367 0.128 1.00 0.00 H new ATOM 0 HA MET A 28 -0.152 5.474 1.073 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.844 5.512 -1.219 1.00 0.00 H new ATOM 0 HB3 MET A 28 0.731 4.184 -0.957 1.00 0.00 H new ATOM 0 HG2 MET A 28 -1.162 5.893 -1.061 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.029 7.069 -1.580 1.00 0.00 H new ATOM 0 HE1 MET A 28 0.330 7.254 -4.640 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.515 6.879 -3.366 1.00 0.00 H new ATOM 0 HE3 MET A 28 1.403 5.844 -4.810 1.00 0.00 H new ATOM 413 N GLU A 29 1.154 3.885 2.433 1.00 0.00 N ATOM 414 CA GLU A 29 1.876 2.886 3.213 1.00 0.00 C ATOM 415 C GLU A 29 1.220 1.515 3.081 1.00 0.00 C ATOM 416 O GLU A 29 1.377 0.653 3.947 1.00 0.00 O ATOM 417 CB GLU A 29 1.929 3.299 4.686 1.00 0.00 C ATOM 418 CG GLU A 29 2.289 4.760 4.896 1.00 0.00 C ATOM 419 CD GLU A 29 3.783 4.980 5.029 1.00 0.00 C ATOM 420 OE1 GLU A 29 4.490 4.885 4.003 1.00 0.00 O ATOM 421 OE2 GLU A 29 4.247 5.245 6.157 1.00 0.00 O ATOM 0 H GLU A 29 0.189 4.034 2.727 1.00 0.00 H new ATOM 0 HA GLU A 29 2.892 2.822 2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.960 3.103 5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.658 2.676 5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.912 5.347 4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.790 5.128 5.793 1.00 0.00 H new ATOM 428 N LEU A 30 0.485 1.320 1.992 1.00 0.00 N ATOM 429 CA LEU A 30 -0.196 0.053 1.746 1.00 0.00 C ATOM 430 C LEU A 30 -0.093 -0.343 0.277 1.00 0.00 C ATOM 431 O LEU A 30 0.348 0.444 -0.560 1.00 0.00 O ATOM 432 CB LEU A 30 -1.666 0.154 2.156 1.00 0.00 C ATOM 433 CG LEU A 30 -1.947 0.878 3.474 1.00 0.00 C ATOM 434 CD1 LEU A 30 -3.290 1.590 3.415 1.00 0.00 C ATOM 435 CD2 LEU A 30 -1.910 -0.100 4.639 1.00 0.00 C ATOM 0 H LEU A 30 0.345 2.022 1.266 1.00 0.00 H new ATOM 0 HA LEU A 30 0.291 -0.716 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.210 0.664 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.074 -0.855 2.225 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.169 1.625 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.474 2.100 4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.280 2.320 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.081 0.861 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.112 0.433 5.568 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.666 -0.871 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.925 -0.564 4.694 1.00 0.00 H new ATOM 447 N PHE A 31 -0.504 -1.569 -0.030 1.00 0.00 N ATOM 448 CA PHE A 31 -0.459 -2.070 -1.399 1.00 0.00 C ATOM 449 C PHE A 31 -1.611 -3.036 -1.662 1.00 0.00 C ATOM 450 O PHE A 31 -1.738 -4.065 -0.998 1.00 0.00 O ATOM 451 CB PHE A 31 0.877 -2.767 -1.666 1.00 0.00 C ATOM 452 CG PHE A 31 0.978 -3.363 -3.041 1.00 0.00 C ATOM 453 CD1 PHE A 31 1.316 -2.574 -4.129 1.00 0.00 C ATOM 454 CD2 PHE A 31 0.736 -4.711 -3.245 1.00 0.00 C ATOM 455 CE1 PHE A 31 1.409 -3.120 -5.395 1.00 0.00 C ATOM 456 CE2 PHE A 31 0.828 -5.263 -4.509 1.00 0.00 C ATOM 457 CZ PHE A 31 1.166 -4.466 -5.585 1.00 0.00 C ATOM 0 H PHE A 31 -0.872 -2.234 0.651 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.559 -1.220 -2.074 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.686 -2.049 -1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.021 -3.554 -0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.509 -1.521 -3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.472 -5.339 -2.407 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.672 -2.494 -6.235 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.636 -6.316 -4.655 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.240 -4.895 -6.573 1.00 0.00 H new ATOM 467 N CYS A 32 -2.449 -2.697 -2.637 1.00 0.00 N ATOM 468 CA CYS A 32 -3.591 -3.532 -2.989 1.00 0.00 C ATOM 469 C CYS A 32 -3.132 -4.840 -3.628 1.00 0.00 C ATOM 470 O CYS A 32 -2.120 -4.878 -4.328 1.00 0.00 O ATOM 471 CB CYS A 32 -4.521 -2.783 -3.945 1.00 0.00 C ATOM 472 SG CYS A 32 -6.115 -3.615 -4.237 1.00 0.00 S ATOM 0 H CYS A 32 -2.358 -1.849 -3.197 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.134 -3.767 -2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.711 -1.787 -3.544 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.012 -2.650 -4.900 1.00 0.00 H new ATOM 477 N GLN A 33 -3.884 -5.908 -3.381 1.00 0.00 N ATOM 478 CA GLN A 33 -3.554 -7.217 -3.932 1.00 0.00 C ATOM 479 C GLN A 33 -4.403 -7.520 -5.162 1.00 0.00 C ATOM 480 O GLN A 33 -4.105 -8.439 -5.926 1.00 0.00 O ATOM 481 CB GLN A 33 -3.759 -8.304 -2.876 1.00 0.00 C ATOM 482 CG GLN A 33 -2.772 -8.227 -1.723 1.00 0.00 C ATOM 483 CD GLN A 33 -2.508 -9.578 -1.089 1.00 0.00 C ATOM 484 OE1 GLN A 33 -3.382 -10.445 -1.061 1.00 0.00 O ATOM 485 NE2 GLN A 33 -1.298 -9.765 -0.575 1.00 0.00 N ATOM 0 H GLN A 33 -4.725 -5.893 -2.804 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.506 -7.204 -4.231 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.772 -8.229 -2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.674 -9.281 -3.351 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.832 -7.809 -2.082 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.156 -7.544 -0.966 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.604 -9.019 -0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.063 -10.655 -0.135 1.00 0.00 H new ATOM 494 N THR A 34 -5.463 -6.740 -5.350 1.00 0.00 N ATOM 495 CA THR A 34 -6.357 -6.925 -6.487 1.00 0.00 C ATOM 496 C THR A 34 -5.769 -6.314 -7.753 1.00 0.00 C ATOM 497 O THR A 34 -5.642 -6.986 -8.777 1.00 0.00 O ATOM 498 CB THR A 34 -7.739 -6.300 -6.222 1.00 0.00 C ATOM 499 OG1 THR A 34 -8.413 -7.020 -5.184 1.00 0.00 O ATOM 500 CG2 THR A 34 -8.587 -6.308 -7.485 1.00 0.00 C ATOM 0 H THR A 34 -5.724 -5.974 -4.729 1.00 0.00 H new ATOM 0 HA THR A 34 -6.474 -8.000 -6.626 1.00 0.00 H new ATOM 0 HB THR A 34 -7.591 -5.267 -5.908 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.363 -7.107 -5.410 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.559 -5.862 -7.274 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.085 -5.733 -8.264 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.725 -7.335 -7.824 1.00 0.00 H new ATOM 508 N ASP A 35 -5.411 -5.037 -7.677 1.00 0.00 N ATOM 509 CA ASP A 35 -4.834 -4.336 -8.818 1.00 0.00 C ATOM 510 C ASP A 35 -3.329 -4.159 -8.643 1.00 0.00 C ATOM 511 O ASP A 35 -2.680 -3.471 -9.430 1.00 0.00 O ATOM 512 CB ASP A 35 -5.502 -2.972 -8.996 1.00 0.00 C ATOM 513 CG ASP A 35 -5.975 -2.382 -7.682 1.00 0.00 C ATOM 514 OD1 ASP A 35 -5.151 -2.274 -6.750 1.00 0.00 O ATOM 515 OD2 ASP A 35 -7.170 -2.031 -7.585 1.00 0.00 O ATOM 0 H ASP A 35 -5.510 -4.466 -6.837 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.010 -4.938 -9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.799 -2.285 -9.467 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.351 -3.072 -9.672 1.00 0.00 H new ATOM 520 N GLN A 36 -2.781 -4.785 -7.606 1.00 0.00 N ATOM 521 CA GLN A 36 -1.353 -4.695 -7.328 1.00 0.00 C ATOM 522 C GLN A 36 -0.859 -3.259 -7.471 1.00 0.00 C ATOM 523 O GLN A 36 0.110 -2.992 -8.182 1.00 0.00 O ATOM 524 CB GLN A 36 -0.569 -5.612 -8.269 1.00 0.00 C ATOM 525 CG GLN A 36 -0.422 -7.033 -7.750 1.00 0.00 C ATOM 526 CD GLN A 36 -1.602 -7.913 -8.113 1.00 0.00 C ATOM 527 OE1 GLN A 36 -2.320 -7.642 -9.076 1.00 0.00 O ATOM 528 NE2 GLN A 36 -1.809 -8.974 -7.342 1.00 0.00 N ATOM 0 H GLN A 36 -3.304 -5.359 -6.945 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.189 -5.016 -6.299 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.068 -5.638 -9.238 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.422 -5.189 -8.432 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.491 -7.471 -8.155 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.311 -7.010 -6.666 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.189 -9.161 -6.554 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.588 -9.602 -7.538 1.00 0.00 H new ATOM 537 N THR A 37 -1.534 -2.336 -6.792 1.00 0.00 N ATOM 538 CA THR A 37 -1.165 -0.927 -6.845 1.00 0.00 C ATOM 539 C THR A 37 -1.034 -0.341 -5.444 1.00 0.00 C ATOM 540 O THR A 37 -1.603 -0.865 -4.485 1.00 0.00 O ATOM 541 CB THR A 37 -2.199 -0.106 -7.638 1.00 0.00 C ATOM 542 OG1 THR A 37 -1.579 1.063 -8.187 1.00 0.00 O ATOM 543 CG2 THR A 37 -3.364 0.303 -6.749 1.00 0.00 C ATOM 0 H THR A 37 -2.339 -2.539 -6.199 1.00 0.00 H new ATOM 0 HA THR A 37 -0.201 -0.870 -7.351 1.00 0.00 H new ATOM 0 HB THR A 37 -2.581 -0.729 -8.447 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.242 1.579 -8.691 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.081 0.882 -7.332 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.852 -0.589 -6.356 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.995 0.910 -5.922 1.00 0.00 H new ATOM 551 N CYS A 38 -0.282 0.749 -5.332 1.00 0.00 N ATOM 552 CA CYS A 38 -0.076 1.407 -4.047 1.00 0.00 C ATOM 553 C CYS A 38 -1.275 2.278 -3.684 1.00 0.00 C ATOM 554 O CYS A 38 -1.871 2.921 -4.548 1.00 0.00 O ATOM 555 CB CYS A 38 1.195 2.257 -4.083 1.00 0.00 C ATOM 556 SG CYS A 38 2.696 1.323 -4.461 1.00 0.00 S ATOM 0 H CYS A 38 0.195 1.195 -6.116 1.00 0.00 H new ATOM 0 HA CYS A 38 0.034 0.635 -3.285 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.072 3.044 -4.827 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.319 2.748 -3.118 1.00 0.00 H new ATOM 0 HG CYS A 38 3.717 2.128 -4.471 1.00 0.00 H new ATOM 562 N ILE A 39 -1.622 2.293 -2.401 1.00 0.00 N ATOM 563 CA ILE A 39 -2.749 3.085 -1.925 1.00 0.00 C ATOM 564 C ILE A 39 -2.552 3.503 -0.472 1.00 0.00 C ATOM 565 O ILE A 39 -1.769 2.896 0.260 1.00 0.00 O ATOM 566 CB ILE A 39 -4.074 2.309 -2.049 1.00 0.00 C ATOM 567 CG1 ILE A 39 -4.002 1.003 -1.255 1.00 0.00 C ATOM 568 CG2 ILE A 39 -4.390 2.031 -3.511 1.00 0.00 C ATOM 569 CD1 ILE A 39 -5.349 0.514 -0.773 1.00 0.00 C ATOM 0 H ILE A 39 -1.139 1.766 -1.673 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.798 3.974 -2.553 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.876 2.920 -1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.547 0.233 -1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.347 1.146 -0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.329 1.482 -3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.479 2.974 -4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.588 1.437 -3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.221 -0.416 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.798 1.266 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.000 0.339 -1.629 1.00 0.00 H new ATOM 581 N CYS A 40 -3.269 4.543 -0.059 1.00 0.00 N ATOM 582 CA CYS A 40 -3.175 5.043 1.308 1.00 0.00 C ATOM 583 C CYS A 40 -4.209 4.370 2.205 1.00 0.00 C ATOM 584 O CYS A 40 -5.061 3.617 1.732 1.00 0.00 O ATOM 585 CB CYS A 40 -3.371 6.560 1.333 1.00 0.00 C ATOM 586 SG CYS A 40 -5.032 7.103 0.820 1.00 0.00 S ATOM 0 H CYS A 40 -3.922 5.056 -0.652 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.181 4.806 1.688 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.177 6.924 2.342 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.631 7.022 0.679 1.00 0.00 H new ATOM 591 N TYR A 41 -4.128 4.646 3.502 1.00 0.00 N ATOM 592 CA TYR A 41 -5.056 4.067 4.467 1.00 0.00 C ATOM 593 C TYR A 41 -6.482 4.537 4.201 1.00 0.00 C ATOM 594 O TYR A 41 -7.441 3.785 4.381 1.00 0.00 O ATOM 595 CB TYR A 41 -4.641 4.439 5.891 1.00 0.00 C ATOM 596 CG TYR A 41 -3.956 5.783 5.991 1.00 0.00 C ATOM 597 CD1 TYR A 41 -4.695 6.956 6.089 1.00 0.00 C ATOM 598 CD2 TYR A 41 -2.570 5.881 5.989 1.00 0.00 C ATOM 599 CE1 TYR A 41 -4.074 8.186 6.180 1.00 0.00 C ATOM 600 CE2 TYR A 41 -1.940 7.107 6.081 1.00 0.00 C ATOM 601 CZ TYR A 41 -2.697 8.256 6.176 1.00 0.00 C ATOM 602 OH TYR A 41 -2.074 9.480 6.267 1.00 0.00 O ATOM 0 H TYR A 41 -3.429 5.267 3.910 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.024 2.983 4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.525 4.443 6.529 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.972 3.670 6.278 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.774 6.905 6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.975 4.983 5.914 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.663 9.088 6.254 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.862 7.165 6.079 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.102 9.354 6.252 1.00 0.00 H new ATOM 612 N LEU A 42 -6.616 5.787 3.771 1.00 0.00 N ATOM 613 CA LEU A 42 -7.925 6.360 3.479 1.00 0.00 C ATOM 614 C LEU A 42 -8.554 5.690 2.262 1.00 0.00 C ATOM 615 O LEU A 42 -9.763 5.777 2.048 1.00 0.00 O ATOM 616 CB LEU A 42 -7.802 7.866 3.239 1.00 0.00 C ATOM 617 CG LEU A 42 -7.307 8.697 4.424 1.00 0.00 C ATOM 618 CD1 LEU A 42 -7.244 10.170 4.054 1.00 0.00 C ATOM 619 CD2 LEU A 42 -8.206 8.487 5.635 1.00 0.00 C ATOM 0 H LEU A 42 -5.834 6.423 3.617 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.570 6.186 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.124 8.026 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.778 8.246 2.937 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.301 8.365 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.890 10.745 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.559 10.306 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.238 10.517 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.839 9.086 6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.224 8.791 5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.200 7.433 5.914 1.00 0.00 H new ATOM 631 N CYS A 43 -7.726 5.018 1.469 1.00 0.00 N ATOM 632 CA CYS A 43 -8.200 4.331 0.274 1.00 0.00 C ATOM 633 C CYS A 43 -8.725 2.940 0.620 1.00 0.00 C ATOM 634 O CYS A 43 -9.856 2.592 0.282 1.00 0.00 O ATOM 635 CB CYS A 43 -7.075 4.221 -0.757 1.00 0.00 C ATOM 636 SG CYS A 43 -6.989 5.623 -1.916 1.00 0.00 S ATOM 0 H CYS A 43 -6.723 4.935 1.633 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.017 4.914 -0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.123 4.138 -0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.207 3.301 -1.326 1.00 0.00 H new ATOM 641 N MET A 44 -7.896 2.151 1.295 1.00 0.00 N ATOM 642 CA MET A 44 -8.278 0.799 1.687 1.00 0.00 C ATOM 643 C MET A 44 -9.612 0.804 2.426 1.00 0.00 C ATOM 644 O MET A 44 -10.272 -0.229 2.542 1.00 0.00 O ATOM 645 CB MET A 44 -7.195 0.177 2.570 1.00 0.00 C ATOM 646 CG MET A 44 -7.162 0.742 3.981 1.00 0.00 C ATOM 647 SD MET A 44 -6.661 -0.480 5.208 1.00 0.00 S ATOM 648 CE MET A 44 -5.058 -0.963 4.570 1.00 0.00 C ATOM 0 H MET A 44 -6.956 2.424 1.582 1.00 0.00 H new ATOM 0 HA MET A 44 -8.387 0.202 0.782 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.355 -0.900 2.622 1.00 0.00 H new ATOM 0 HB3 MET A 44 -6.223 0.333 2.102 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.474 1.587 4.014 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.150 1.125 4.238 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.879 -2.015 4.794 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.036 -0.813 3.491 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.283 -0.356 5.037 1.00 0.00 H new ATOM 658 N PHE A 45 -10.004 1.972 2.924 1.00 0.00 N ATOM 659 CA PHE A 45 -11.259 2.111 3.652 1.00 0.00 C ATOM 660 C PHE A 45 -12.404 2.450 2.703 1.00 0.00 C ATOM 661 O PHE A 45 -13.534 2.000 2.891 1.00 0.00 O ATOM 662 CB PHE A 45 -11.134 3.193 4.726 1.00 0.00 C ATOM 663 CG PHE A 45 -9.960 2.996 5.642 1.00 0.00 C ATOM 664 CD1 PHE A 45 -9.556 1.722 6.008 1.00 0.00 C ATOM 665 CD2 PHE A 45 -9.261 4.084 6.139 1.00 0.00 C ATOM 666 CE1 PHE A 45 -8.476 1.536 6.851 1.00 0.00 C ATOM 667 CE2 PHE A 45 -8.180 3.905 6.981 1.00 0.00 C ATOM 668 CZ PHE A 45 -7.788 2.629 7.339 1.00 0.00 C ATOM 0 H PHE A 45 -9.470 2.836 2.836 1.00 0.00 H new ATOM 0 HA PHE A 45 -11.479 1.157 4.132 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -11.048 4.166 4.242 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.048 3.212 5.319 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.091 0.864 5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.564 5.084 5.865 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.171 0.537 7.127 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.642 4.762 7.359 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.945 2.487 7.999 1.00 0.00 H new ATOM 678 N GLN A 46 -12.103 3.249 1.684 1.00 0.00 N ATOM 679 CA GLN A 46 -13.107 3.650 0.706 1.00 0.00 C ATOM 680 C GLN A 46 -12.759 3.120 -0.681 1.00 0.00 C ATOM 681 O GLN A 46 -13.370 2.166 -1.161 1.00 0.00 O ATOM 682 CB GLN A 46 -13.230 5.175 0.666 1.00 0.00 C ATOM 683 CG GLN A 46 -14.265 5.727 1.633 1.00 0.00 C ATOM 684 CD GLN A 46 -14.865 7.036 1.160 1.00 0.00 C ATOM 685 OE1 GLN A 46 -14.516 8.108 1.656 1.00 0.00 O ATOM 686 NE2 GLN A 46 -15.774 6.957 0.195 1.00 0.00 N ATOM 0 H GLN A 46 -11.173 3.631 1.515 1.00 0.00 H new ATOM 0 HA GLN A 46 -14.063 3.223 1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.260 5.616 0.895 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.490 5.484 -0.347 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.061 4.994 1.765 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.802 5.875 2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -16.034 6.048 -0.188 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.212 7.805 -0.163 1.00 0.00 H new ATOM 695 N GLU A 47 -11.775 3.745 -1.318 1.00 0.00 N ATOM 696 CA GLU A 47 -11.347 3.336 -2.651 1.00 0.00 C ATOM 697 C GLU A 47 -11.288 1.815 -2.760 1.00 0.00 C ATOM 698 O GLU A 47 -12.029 1.208 -3.534 1.00 0.00 O ATOM 699 CB GLU A 47 -9.978 3.935 -2.978 1.00 0.00 C ATOM 700 CG GLU A 47 -10.050 5.338 -3.557 1.00 0.00 C ATOM 701 CD GLU A 47 -8.841 5.682 -4.406 1.00 0.00 C ATOM 702 OE1 GLU A 47 -8.247 4.754 -4.994 1.00 0.00 O ATOM 703 OE2 GLU A 47 -8.489 6.877 -4.482 1.00 0.00 O ATOM 0 H GLU A 47 -11.259 4.536 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.078 3.707 -3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.374 3.956 -2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.466 3.284 -3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.952 5.432 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.135 6.059 -2.744 1.00 0.00 H new ATOM 710 N HIS A 48 -10.401 1.206 -1.980 1.00 0.00 N ATOM 711 CA HIS A 48 -10.244 -0.244 -1.988 1.00 0.00 C ATOM 712 C HIS A 48 -10.749 -0.853 -0.683 1.00 0.00 C ATOM 713 O HIS A 48 -9.963 -1.195 0.200 1.00 0.00 O ATOM 714 CB HIS A 48 -8.777 -0.619 -2.204 1.00 0.00 C ATOM 715 CG HIS A 48 -8.130 0.123 -3.333 1.00 0.00 C ATOM 716 ND1 HIS A 48 -7.686 -0.496 -4.483 1.00 0.00 N ATOM 717 CD2 HIS A 48 -7.855 1.439 -3.485 1.00 0.00 C ATOM 718 CE1 HIS A 48 -7.163 0.408 -5.292 1.00 0.00 C ATOM 719 NE2 HIS A 48 -7.254 1.591 -4.711 1.00 0.00 N ATOM 0 H HIS A 48 -9.780 1.694 -1.334 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.839 -0.644 -2.810 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.222 -0.424 -1.286 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.709 -1.690 -2.397 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.068 2.224 -2.775 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.734 0.213 -6.264 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.931 2.473 -5.108 1.00 0.00 H new ATOM 727 N LYS A 49 -12.067 -0.984 -0.569 1.00 0.00 N ATOM 728 CA LYS A 49 -12.678 -1.552 0.627 1.00 0.00 C ATOM 729 C LYS A 49 -12.829 -3.064 0.496 1.00 0.00 C ATOM 730 O LYS A 49 -12.495 -3.812 1.414 1.00 0.00 O ATOM 731 CB LYS A 49 -14.046 -0.912 0.877 1.00 0.00 C ATOM 732 CG LYS A 49 -14.676 -1.321 2.198 1.00 0.00 C ATOM 733 CD LYS A 49 -15.727 -0.320 2.647 1.00 0.00 C ATOM 734 CE LYS A 49 -15.922 -0.355 4.155 1.00 0.00 C ATOM 735 NZ LYS A 49 -16.932 0.642 4.608 1.00 0.00 N ATOM 0 H LYS A 49 -12.732 -0.705 -1.290 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.024 -1.343 1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.940 0.173 0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.719 -1.183 0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.131 -2.306 2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.902 -1.405 2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.430 0.683 2.341 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.673 -0.537 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.237 -1.354 4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.970 -0.158 4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.036 0.586 5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.620 1.598 4.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.847 0.439 4.157 1.00 0.00 H new ATOM 749 N ASN A 50 -13.331 -3.507 -0.652 1.00 0.00 N ATOM 750 CA ASN A 50 -13.524 -4.931 -0.903 1.00 0.00 C ATOM 751 C ASN A 50 -12.188 -5.626 -1.146 1.00 0.00 C ATOM 752 O ASN A 50 -11.857 -6.609 -0.481 1.00 0.00 O ATOM 753 CB ASN A 50 -14.445 -5.137 -2.107 1.00 0.00 C ATOM 754 CG ASN A 50 -15.895 -4.828 -1.785 1.00 0.00 C ATOM 755 OD1 ASN A 50 -16.124 -3.713 -1.101 1.00 0.00 O flip ATOM 756 ND2 ASN A 50 -16.798 -5.582 -2.148 1.00 0.00 N flip ATOM 0 H ASN A 50 -13.611 -2.901 -1.423 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.987 -5.371 -0.020 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.114 -4.500 -2.927 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.364 -6.168 -2.451 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.576 -6.429 -2.672 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -17.768 -5.360 -1.925 1.00 0.00 H new ATOM 763 N HIS A 51 -11.423 -5.109 -2.102 1.00 0.00 N ATOM 764 CA HIS A 51 -10.122 -5.680 -2.433 1.00 0.00 C ATOM 765 C HIS A 51 -9.343 -6.025 -1.167 1.00 0.00 C ATOM 766 O HIS A 51 -9.646 -5.525 -0.084 1.00 0.00 O ATOM 767 CB HIS A 51 -9.317 -4.704 -3.291 1.00 0.00 C ATOM 768 CG HIS A 51 -9.980 -4.359 -4.589 1.00 0.00 C ATOM 769 ND1 HIS A 51 -9.592 -3.293 -5.372 1.00 0.00 N ATOM 770 CD2 HIS A 51 -11.010 -4.948 -5.240 1.00 0.00 C ATOM 771 CE1 HIS A 51 -10.356 -3.240 -6.449 1.00 0.00 C ATOM 772 NE2 HIS A 51 -11.224 -4.233 -6.393 1.00 0.00 N ATOM 0 H HIS A 51 -11.681 -4.296 -2.661 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.288 -6.597 -2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.149 -3.788 -2.724 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -8.338 -5.136 -3.496 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -11.561 -5.818 -4.914 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.283 -2.509 -7.240 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -11.938 -4.436 -7.093 1.00 0.00 H new ATOM 780 N SER A 52 -8.339 -6.884 -1.312 1.00 0.00 N ATOM 781 CA SER A 52 -7.519 -7.299 -0.179 1.00 0.00 C ATOM 782 C SER A 52 -6.242 -6.469 -0.100 1.00 0.00 C ATOM 783 O SER A 52 -5.248 -6.771 -0.761 1.00 0.00 O ATOM 784 CB SER A 52 -7.170 -8.784 -0.294 1.00 0.00 C ATOM 785 OG SER A 52 -8.150 -9.589 0.339 1.00 0.00 O ATOM 0 H SER A 52 -8.074 -7.306 -2.202 1.00 0.00 H new ATOM 0 HA SER A 52 -8.093 -7.137 0.733 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.090 -9.062 -1.345 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.196 -8.968 0.159 1.00 0.00 H new ATOM 0 HG SER A 52 -7.905 -10.534 0.250 1.00 0.00 H new ATOM 791 N THR A 53 -6.275 -5.420 0.716 1.00 0.00 N ATOM 792 CA THR A 53 -5.122 -4.544 0.883 1.00 0.00 C ATOM 793 C THR A 53 -4.180 -5.075 1.957 1.00 0.00 C ATOM 794 O THR A 53 -4.620 -5.626 2.966 1.00 0.00 O ATOM 795 CB THR A 53 -5.553 -3.113 1.255 1.00 0.00 C ATOM 796 OG1 THR A 53 -6.494 -3.149 2.333 1.00 0.00 O ATOM 797 CG2 THR A 53 -6.171 -2.406 0.058 1.00 0.00 C ATOM 0 H THR A 53 -7.089 -5.156 1.272 1.00 0.00 H new ATOM 0 HA THR A 53 -4.601 -4.521 -0.074 1.00 0.00 H new ATOM 0 HB THR A 53 -4.667 -2.560 1.566 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.402 -3.046 1.978 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.468 -1.397 0.345 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.442 -2.354 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.047 -2.960 -0.279 1.00 0.00 H new ATOM 805 N VAL A 54 -2.880 -4.905 1.735 1.00 0.00 N ATOM 806 CA VAL A 54 -1.875 -5.365 2.685 1.00 0.00 C ATOM 807 C VAL A 54 -0.762 -4.336 2.849 1.00 0.00 C ATOM 808 O VAL A 54 -0.260 -3.786 1.869 1.00 0.00 O ATOM 809 CB VAL A 54 -1.259 -6.706 2.245 1.00 0.00 C ATOM 810 CG1 VAL A 54 -2.315 -7.801 2.233 1.00 0.00 C ATOM 811 CG2 VAL A 54 -0.606 -6.569 0.879 1.00 0.00 C ATOM 0 H VAL A 54 -2.499 -4.452 0.905 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.382 -5.503 3.640 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.489 -6.985 2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.861 -8.741 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.732 -7.915 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.110 -7.532 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.176 -7.526 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.354 -6.266 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.181 -5.816 0.926 1.00 0.00 H new ATOM 821 N THR A 55 -0.379 -4.080 4.097 1.00 0.00 N ATOM 822 CA THR A 55 0.675 -3.117 4.390 1.00 0.00 C ATOM 823 C THR A 55 1.882 -3.330 3.484 1.00 0.00 C ATOM 824 O THR A 55 2.359 -4.453 3.321 1.00 0.00 O ATOM 825 CB THR A 55 1.128 -3.211 5.859 1.00 0.00 C ATOM 826 OG1 THR A 55 1.208 -4.583 6.261 1.00 0.00 O ATOM 827 CG2 THR A 55 0.164 -2.466 6.771 1.00 0.00 C ATOM 0 H THR A 55 -0.783 -4.526 4.920 1.00 0.00 H new ATOM 0 HA THR A 55 0.258 -2.127 4.208 1.00 0.00 H new ATOM 0 HB THR A 55 2.113 -2.751 5.942 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.498 -4.634 7.196 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.504 -2.546 7.803 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.127 -1.416 6.482 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.831 -2.902 6.682 1.00 0.00 H new ATOM 835 N VAL A 56 2.373 -2.244 2.895 1.00 0.00 N ATOM 836 CA VAL A 56 3.526 -2.311 2.006 1.00 0.00 C ATOM 837 C VAL A 56 4.587 -3.259 2.554 1.00 0.00 C ATOM 838 O VAL A 56 5.117 -4.099 1.827 1.00 0.00 O ATOM 839 CB VAL A 56 4.155 -0.921 1.796 1.00 0.00 C ATOM 840 CG1 VAL A 56 5.393 -1.021 0.918 1.00 0.00 C ATOM 841 CG2 VAL A 56 3.139 0.037 1.192 1.00 0.00 C ATOM 0 H VAL A 56 1.990 -1.307 3.018 1.00 0.00 H new ATOM 0 HA VAL A 56 3.166 -2.687 1.048 1.00 0.00 H new ATOM 0 HB VAL A 56 4.459 -0.529 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.823 -0.029 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.126 -1.672 1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.118 -1.434 -0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.600 1.014 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.803 -0.349 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.285 0.132 1.863 1.00 0.00 H new ATOM 851 N GLU A 57 4.892 -3.118 3.840 1.00 0.00 N ATOM 852 CA GLU A 57 5.891 -3.963 4.484 1.00 0.00 C ATOM 853 C GLU A 57 5.592 -5.440 4.244 1.00 0.00 C ATOM 854 O GLU A 57 6.499 -6.238 4.014 1.00 0.00 O ATOM 855 CB GLU A 57 5.939 -3.679 5.987 1.00 0.00 C ATOM 856 CG GLU A 57 6.651 -2.383 6.339 1.00 0.00 C ATOM 857 CD GLU A 57 5.784 -1.160 6.112 1.00 0.00 C ATOM 858 OE1 GLU A 57 4.715 -1.063 6.750 1.00 0.00 O ATOM 859 OE2 GLU A 57 6.175 -0.300 5.295 1.00 0.00 O ATOM 0 H GLU A 57 4.462 -2.428 4.456 1.00 0.00 H new ATOM 0 HA GLU A 57 6.862 -3.731 4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.921 -3.641 6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.440 -4.507 6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.961 -2.415 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.558 -2.297 5.740 1.00 0.00 H new ATOM 866 N GLU A 58 4.312 -5.795 4.301 1.00 0.00 N ATOM 867 CA GLU A 58 3.893 -7.176 4.091 1.00 0.00 C ATOM 868 C GLU A 58 4.148 -7.609 2.650 1.00 0.00 C ATOM 869 O GLU A 58 4.661 -8.699 2.400 1.00 0.00 O ATOM 870 CB GLU A 58 2.409 -7.339 4.429 1.00 0.00 C ATOM 871 CG GLU A 58 2.038 -8.742 4.879 1.00 0.00 C ATOM 872 CD GLU A 58 2.460 -9.027 6.308 1.00 0.00 C ATOM 873 OE1 GLU A 58 3.652 -9.326 6.527 1.00 0.00 O ATOM 874 OE2 GLU A 58 1.596 -8.949 7.207 1.00 0.00 O ATOM 0 H GLU A 58 3.548 -5.146 4.491 1.00 0.00 H new ATOM 0 HA GLU A 58 4.481 -7.812 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.144 -6.632 5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.815 -7.078 3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.960 -8.875 4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.506 -9.468 4.214 1.00 0.00 H new ATOM 881 N ALA A 59 3.786 -6.746 1.706 1.00 0.00 N ATOM 882 CA ALA A 59 3.976 -7.038 0.291 1.00 0.00 C ATOM 883 C ALA A 59 5.448 -7.279 -0.026 1.00 0.00 C ATOM 884 O ALA A 59 5.783 -8.065 -0.913 1.00 0.00 O ATOM 885 CB ALA A 59 3.430 -5.901 -0.560 1.00 0.00 C ATOM 0 H ALA A 59 3.360 -5.839 1.896 1.00 0.00 H new ATOM 0 HA ALA A 59 3.426 -7.949 0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.578 -6.132 -1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.365 -5.777 -0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.955 -4.978 -0.314 1.00 0.00 H new ATOM 891 N LYS A 60 6.325 -6.597 0.703 1.00 0.00 N ATOM 892 CA LYS A 60 7.762 -6.737 0.500 1.00 0.00 C ATOM 893 C LYS A 60 8.252 -8.095 0.993 1.00 0.00 C ATOM 894 O LYS A 60 8.886 -8.844 0.250 1.00 0.00 O ATOM 895 CB LYS A 60 8.512 -5.618 1.227 1.00 0.00 C ATOM 896 CG LYS A 60 8.502 -4.295 0.481 1.00 0.00 C ATOM 897 CD LYS A 60 9.354 -3.252 1.185 1.00 0.00 C ATOM 898 CE LYS A 60 8.737 -2.828 2.509 1.00 0.00 C ATOM 899 NZ LYS A 60 9.565 -1.804 3.204 1.00 0.00 N ATOM 0 H LYS A 60 6.065 -5.941 1.440 1.00 0.00 H new ATOM 0 HA LYS A 60 7.961 -6.665 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.067 -5.474 2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.545 -5.928 1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.873 -4.445 -0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.478 -3.932 0.395 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.352 -3.654 1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.470 -2.380 0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.738 -2.429 2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.623 -3.700 3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.111 -1.541 4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.510 -2.193 3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.653 -0.961 2.601 1.00 0.00 H new ATOM 913 N ALA A 61 7.952 -8.406 2.250 1.00 0.00 N ATOM 914 CA ALA A 61 8.359 -9.675 2.840 1.00 0.00 C ATOM 915 C ALA A 61 8.338 -10.794 1.804 1.00 0.00 C ATOM 916 O ALA A 61 9.181 -11.690 1.829 1.00 0.00 O ATOM 917 CB ALA A 61 7.457 -10.024 4.015 1.00 0.00 C ATOM 0 H ALA A 61 7.429 -7.797 2.879 1.00 0.00 H new ATOM 0 HA ALA A 61 9.382 -9.568 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.772 -10.974 4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.525 -9.242 4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.426 -10.106 3.670 1.00 0.00 H new ATOM 923 N GLU A 62 7.369 -10.736 0.896 1.00 0.00 N ATOM 924 CA GLU A 62 7.239 -11.746 -0.147 1.00 0.00 C ATOM 925 C GLU A 62 8.468 -11.755 -1.052 1.00 0.00 C ATOM 926 O GLU A 62 9.071 -12.802 -1.289 1.00 0.00 O ATOM 927 CB GLU A 62 5.981 -11.492 -0.980 1.00 0.00 C ATOM 928 CG GLU A 62 5.755 -12.524 -2.072 1.00 0.00 C ATOM 929 CD GLU A 62 6.503 -12.194 -3.350 1.00 0.00 C ATOM 930 OE1 GLU A 62 6.230 -11.125 -3.937 1.00 0.00 O ATOM 931 OE2 GLU A 62 7.360 -13.002 -3.762 1.00 0.00 O ATOM 0 H GLU A 62 6.663 -10.001 0.862 1.00 0.00 H new ATOM 0 HA GLU A 62 7.157 -12.720 0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.114 -11.479 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.050 -10.504 -1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.071 -13.503 -1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.689 -12.593 -2.287 1.00 0.00 H new ATOM 938 N LYS A 63 8.833 -10.581 -1.556 1.00 0.00 N ATOM 939 CA LYS A 63 9.989 -10.451 -2.435 1.00 0.00 C ATOM 940 C LYS A 63 11.256 -10.947 -1.744 1.00 0.00 C ATOM 941 O LYS A 63 11.995 -11.762 -2.294 1.00 0.00 O ATOM 942 CB LYS A 63 10.167 -8.993 -2.865 1.00 0.00 C ATOM 943 CG LYS A 63 11.139 -8.814 -4.018 1.00 0.00 C ATOM 944 CD LYS A 63 11.592 -7.370 -4.146 1.00 0.00 C ATOM 945 CE LYS A 63 12.692 -7.221 -5.186 1.00 0.00 C ATOM 946 NZ LYS A 63 12.146 -7.184 -6.571 1.00 0.00 N ATOM 0 H LYS A 63 8.344 -9.705 -1.370 1.00 0.00 H new ATOM 0 HA LYS A 63 9.814 -11.065 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.197 -8.586 -3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.517 -8.411 -2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.007 -9.456 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.665 -9.131 -4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.743 -6.744 -4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.952 -7.013 -3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.253 -6.307 -4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.393 -8.051 -5.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.927 -7.082 -7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.632 -8.067 -6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.497 -6.377 -6.667 1.00 0.00 H new ATOM 960 N GLU A 64 11.498 -10.449 -0.535 1.00 0.00 N ATOM 961 CA GLU A 64 12.675 -10.843 0.230 1.00 0.00 C ATOM 962 C GLU A 64 12.542 -12.278 0.733 1.00 0.00 C ATOM 963 O GLU A 64 11.491 -12.903 0.593 1.00 0.00 O ATOM 964 CB GLU A 64 12.884 -9.894 1.412 1.00 0.00 C ATOM 965 CG GLU A 64 11.748 -9.918 2.420 1.00 0.00 C ATOM 966 CD GLU A 64 11.677 -8.650 3.249 1.00 0.00 C ATOM 967 OE1 GLU A 64 11.820 -7.553 2.671 1.00 0.00 O ATOM 968 OE2 GLU A 64 11.477 -8.757 4.478 1.00 0.00 O ATOM 0 H GLU A 64 10.896 -9.773 -0.065 1.00 0.00 H new ATOM 0 HA GLU A 64 13.541 -10.786 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.813 -10.157 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.003 -8.878 1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.803 -10.057 1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.873 -10.774 3.083 1.00 0.00 H new ATOM 975 N THR A 65 13.617 -12.795 1.320 1.00 0.00 N ATOM 976 CA THR A 65 13.623 -14.155 1.843 1.00 0.00 C ATOM 977 C THR A 65 12.275 -14.513 2.460 1.00 0.00 C ATOM 978 O THR A 65 11.616 -13.668 3.064 1.00 0.00 O ATOM 979 CB THR A 65 14.726 -14.346 2.901 1.00 0.00 C ATOM 980 OG1 THR A 65 14.606 -13.346 3.919 1.00 0.00 O ATOM 981 CG2 THR A 65 16.105 -14.267 2.265 1.00 0.00 C ATOM 0 H THR A 65 14.495 -12.292 1.445 1.00 0.00 H new ATOM 0 HA THR A 65 13.821 -14.817 1.000 1.00 0.00 H new ATOM 0 HB THR A 65 14.605 -15.334 3.346 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.310 -13.475 4.589 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.868 -14.405 3.032 1.00 0.00 H new ATOM 0 HG22 THR A 65 16.203 -15.048 1.511 1.00 0.00 H new ATOM 0 HG23 THR A 65 16.234 -13.292 1.796 1.00 0.00 H new ATOM 989 N GLU A 66 11.873 -15.770 2.303 1.00 0.00 N ATOM 990 CA GLU A 66 10.603 -16.238 2.845 1.00 0.00 C ATOM 991 C GLU A 66 10.357 -15.657 4.235 1.00 0.00 C ATOM 992 O GLU A 66 11.288 -15.211 4.907 1.00 0.00 O ATOM 993 CB GLU A 66 10.582 -17.766 2.909 1.00 0.00 C ATOM 994 CG GLU A 66 9.188 -18.351 3.060 1.00 0.00 C ATOM 995 CD GLU A 66 8.314 -18.095 1.847 1.00 0.00 C ATOM 996 OE1 GLU A 66 8.568 -18.710 0.791 1.00 0.00 O ATOM 997 OE2 GLU A 66 7.375 -17.278 1.955 1.00 0.00 O ATOM 0 H GLU A 66 12.408 -16.482 1.805 1.00 0.00 H new ATOM 0 HA GLU A 66 9.808 -15.898 2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.038 -18.165 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.197 -18.094 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.265 -19.425 3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.712 -17.924 3.943 1.00 0.00 H new ATOM 1004 N SER A 67 9.097 -15.664 4.659 1.00 0.00 N ATOM 1005 CA SER A 67 8.728 -15.134 5.966 1.00 0.00 C ATOM 1006 C SER A 67 7.977 -16.180 6.784 1.00 0.00 C ATOM 1007 O SER A 67 7.337 -17.074 6.232 1.00 0.00 O ATOM 1008 CB SER A 67 7.866 -13.880 5.806 1.00 0.00 C ATOM 1009 OG SER A 67 8.044 -12.996 6.899 1.00 0.00 O ATOM 0 H SER A 67 8.315 -16.031 4.116 1.00 0.00 H new ATOM 0 HA SER A 67 9.644 -14.872 6.496 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.126 -13.372 4.877 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.816 -14.164 5.731 1.00 0.00 H new ATOM 0 HG SER A 67 7.484 -12.202 6.772 1.00 0.00 H new ATOM 1015 N GLY A 68 8.061 -16.061 8.106 1.00 0.00 N ATOM 1016 CA GLY A 68 7.386 -17.003 8.980 1.00 0.00 C ATOM 1017 C GLY A 68 5.880 -16.826 8.969 1.00 0.00 C ATOM 1018 O GLY A 68 5.361 -15.762 8.632 1.00 0.00 O ATOM 0 H GLY A 68 8.584 -15.329 8.587 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.632 -18.020 8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.756 -16.879 9.998 1.00 0.00 H new ATOM 1022 N PRO A 69 5.153 -17.889 9.344 1.00 0.00 N ATOM 1023 CA PRO A 69 3.688 -17.872 9.384 1.00 0.00 C ATOM 1024 C PRO A 69 3.149 -16.986 10.502 1.00 0.00 C ATOM 1025 O PRO A 69 3.620 -17.047 11.637 1.00 0.00 O ATOM 1026 CB PRO A 69 3.323 -19.336 9.639 1.00 0.00 C ATOM 1027 CG PRO A 69 4.514 -19.909 10.326 1.00 0.00 C ATOM 1028 CD PRO A 69 5.706 -19.189 9.758 1.00 0.00 C ATOM 0 HA PRO A 69 3.260 -17.465 8.468 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.430 -19.419 10.259 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.114 -19.860 8.706 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.449 -19.766 11.405 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.587 -20.982 10.151 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.496 -19.072 10.500 1.00 0.00 H new ATOM 0 HD3 PRO A 69 6.138 -19.729 8.915 1.00 0.00 H new ATOM 1036 N SER A 70 2.158 -16.163 10.173 1.00 0.00 N ATOM 1037 CA SER A 70 1.557 -15.261 11.149 1.00 0.00 C ATOM 1038 C SER A 70 0.137 -14.886 10.738 1.00 0.00 C ATOM 1039 O SER A 70 -0.081 -14.304 9.675 1.00 0.00 O ATOM 1040 CB SER A 70 2.407 -13.998 11.299 1.00 0.00 C ATOM 1041 OG SER A 70 3.639 -14.286 11.939 1.00 0.00 O ATOM 0 H SER A 70 1.754 -16.102 9.238 1.00 0.00 H new ATOM 0 HA SER A 70 1.515 -15.778 12.108 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.596 -13.564 10.317 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.859 -13.253 11.876 1.00 0.00 H new ATOM 0 HG SER A 70 3.730 -15.255 12.053 1.00 0.00 H new ATOM 1047 N SER A 71 -0.827 -15.222 11.590 1.00 0.00 N ATOM 1048 CA SER A 71 -2.228 -14.924 11.315 1.00 0.00 C ATOM 1049 C SER A 71 -2.521 -13.443 11.535 1.00 0.00 C ATOM 1050 O SER A 71 -2.963 -13.039 12.609 1.00 0.00 O ATOM 1051 CB SER A 71 -3.136 -15.773 12.207 1.00 0.00 C ATOM 1052 OG SER A 71 -2.786 -15.632 13.573 1.00 0.00 O ATOM 0 H SER A 71 -0.663 -15.700 12.476 1.00 0.00 H new ATOM 0 HA SER A 71 -2.428 -15.165 10.271 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.175 -15.475 12.062 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.061 -16.821 11.915 1.00 0.00 H new ATOM 0 HG SER A 71 -2.735 -14.680 13.801 1.00 0.00 H new ATOM 1058 N GLY A 72 -2.272 -12.638 10.506 1.00 0.00 N ATOM 1059 CA GLY A 72 -2.515 -11.211 10.606 1.00 0.00 C ATOM 1060 C GLY A 72 -3.907 -10.894 11.113 1.00 0.00 C ATOM 1061 O GLY A 72 -4.042 -10.438 12.248 1.00 0.00 O ATOM 0 H GLY A 72 -1.907 -12.949 9.606 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.778 -10.766 11.275 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.375 -10.752 9.627 1.00 0.00 H new TER 1065 GLY A 72 HETATM 1066 ZN ZN A 200 -6.179 7.589 -1.171 1.00 0.00 ZN HETATM 1067 ZN ZN A 400 -7.768 -2.358 -5.337 1.00 0.00 ZN