USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 414 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.0343) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -160:sc= -0.0746 (180deg=-0.563) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0193 K(o=-0.019,f=-1.6!) USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -0.0675 (180deg=-0.48) USER MOD Single : A 17 ASN : amide:sc= -2.18! C(o=-2.2!,f=-3.9!) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -0.0654 (180deg=-0.548) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.0609 F(o=-0.68,f=-0.061) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= -0.0772 (180deg=-0.566) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 160:sc= -0.0662 (180deg=-0.542) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -0.13 (180deg=-0.676) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.542 16.647 14.543 1.00 0.00 N ATOM 2 CA GLY A 1 -18.983 15.459 13.836 1.00 0.00 C ATOM 3 C GLY A 1 -18.169 14.621 14.816 1.00 0.00 C ATOM 4 O GLY A 1 -18.312 13.400 14.869 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.166 17.173 13.898 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.086 16.333 15.372 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.764 17.264 14.853 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.790 14.861 13.413 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.354 15.779 13.005 1.00 0.00 H new ATOM 10 N SER A 2 -17.316 15.284 15.589 1.00 0.00 N ATOM 11 CA SER A 2 -16.484 14.588 16.563 1.00 0.00 C ATOM 12 C SER A 2 -17.347 13.876 17.609 1.00 0.00 C ATOM 13 O SER A 2 -17.033 12.758 18.016 1.00 0.00 O ATOM 14 CB SER A 2 -15.509 15.563 17.239 1.00 0.00 C ATOM 15 OG SER A 2 -14.726 14.854 18.191 1.00 0.00 O ATOM 0 H SER A 2 -17.183 16.295 15.561 1.00 0.00 H new ATOM 0 HA SER A 2 -15.902 13.834 16.033 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.864 16.027 16.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.060 16.366 17.729 1.00 0.00 H new ATOM 0 HG SER A 2 -14.100 15.471 18.625 1.00 0.00 H new ATOM 21 N VAL A 3 -18.436 14.519 18.035 1.00 0.00 N ATOM 22 CA VAL A 3 -19.319 13.911 19.027 1.00 0.00 C ATOM 23 C VAL A 3 -19.947 12.631 18.470 1.00 0.00 C ATOM 24 O VAL A 3 -20.069 11.633 19.181 1.00 0.00 O ATOM 25 CB VAL A 3 -20.411 14.902 19.486 1.00 0.00 C ATOM 26 CG1 VAL A 3 -21.457 14.166 20.330 1.00 0.00 C ATOM 27 CG2 VAL A 3 -19.778 16.006 20.344 1.00 0.00 C ATOM 0 H VAL A 3 -18.723 15.444 17.715 1.00 0.00 H new ATOM 0 HA VAL A 3 -18.719 13.652 19.899 1.00 0.00 H new ATOM 0 HB VAL A 3 -20.884 15.338 18.606 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -22.225 14.869 20.652 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -21.914 13.376 19.735 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -20.976 13.729 21.205 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -20.551 16.704 20.667 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -19.304 15.560 21.218 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -19.030 16.539 19.757 1.00 0.00 H new ATOM 37 N GLU A 4 -20.345 12.660 17.197 1.00 0.00 N ATOM 38 CA GLU A 4 -20.954 11.488 16.575 1.00 0.00 C ATOM 39 C GLU A 4 -19.960 10.326 16.528 1.00 0.00 C ATOM 40 O GLU A 4 -20.342 9.168 16.694 1.00 0.00 O ATOM 41 CB GLU A 4 -21.461 11.814 15.161 1.00 0.00 C ATOM 42 CG GLU A 4 -22.670 12.746 15.261 1.00 0.00 C ATOM 43 CD GLU A 4 -23.100 13.195 13.869 1.00 0.00 C ATOM 44 OE1 GLU A 4 -22.359 12.945 12.932 1.00 0.00 O ATOM 45 OE2 GLU A 4 -24.164 13.783 13.759 1.00 0.00 O1- ATOM 0 H GLU A 4 -20.258 13.471 16.585 1.00 0.00 H new ATOM 0 HA GLU A 4 -21.809 11.192 17.183 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -20.670 12.286 14.578 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -21.736 10.897 14.640 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -23.494 12.234 15.757 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -22.421 13.614 15.871 1.00 0.00 H new ATOM 52 N LYS A 5 -18.684 10.640 16.304 1.00 0.00 N ATOM 53 CA LYS A 5 -17.656 9.604 16.242 1.00 0.00 C ATOM 54 C LYS A 5 -17.560 8.867 17.573 1.00 0.00 C ATOM 55 O LYS A 5 -17.370 7.651 17.609 1.00 0.00 O ATOM 56 CB LYS A 5 -16.294 10.219 15.902 1.00 0.00 C ATOM 57 CG LYS A 5 -16.305 10.716 14.456 1.00 0.00 C ATOM 58 CD LYS A 5 -14.945 11.331 14.119 1.00 0.00 C ATOM 59 CE LYS A 5 -14.959 11.845 12.677 1.00 0.00 C ATOM 60 NZ LYS A 5 -15.156 10.700 11.744 1.00 0.00 N1+ ATOM 0 H LYS A 5 -18.342 11.591 16.164 1.00 0.00 H new ATOM 0 HA LYS A 5 -17.935 8.898 15.460 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.077 11.045 16.580 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.505 9.479 16.037 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.521 9.890 13.778 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.094 11.455 14.320 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.724 12.148 14.805 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.157 10.588 14.244 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.758 12.575 12.548 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.022 12.354 12.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.836 10.969 10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.606 9.883 12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.165 10.448 11.712 1.00 0.00 H new ATOM 74 N LEU A 6 -17.687 9.613 18.666 1.00 0.00 N ATOM 75 CA LEU A 6 -17.606 9.019 19.997 1.00 0.00 C ATOM 76 C LEU A 6 -18.731 8.001 20.201 1.00 0.00 C ATOM 77 O LEU A 6 -18.534 6.974 20.837 1.00 0.00 O ATOM 78 CB LEU A 6 -17.668 10.103 21.087 1.00 0.00 C ATOM 79 CG LEU A 6 -16.398 10.967 21.047 1.00 0.00 C ATOM 80 CD1 LEU A 6 -16.579 12.164 21.987 1.00 0.00 C ATOM 81 CD2 LEU A 6 -15.166 10.144 21.485 1.00 0.00 C ATOM 0 H LEU A 6 -17.845 10.621 18.658 1.00 0.00 H new ATOM 0 HA LEU A 6 -16.649 8.504 20.078 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -18.548 10.729 20.938 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -17.770 9.638 22.068 1.00 0.00 H new ATOM 0 HG LEU A 6 -16.235 11.314 20.027 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -15.682 12.783 21.965 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -17.436 12.755 21.663 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -16.748 11.807 23.003 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -14.277 10.773 21.450 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -15.314 9.781 22.502 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -15.037 9.296 20.812 1.00 0.00 H new ATOM 93 N THR A 7 -19.912 8.289 19.668 1.00 0.00 N ATOM 94 CA THR A 7 -21.040 7.377 19.810 1.00 0.00 C ATOM 95 C THR A 7 -20.830 6.097 18.996 1.00 0.00 C ATOM 96 O THR A 7 -21.196 5.007 19.434 1.00 0.00 O ATOM 97 CB THR A 7 -22.333 8.064 19.366 1.00 0.00 C ATOM 98 OG1 THR A 7 -22.554 9.214 20.170 1.00 0.00 O ATOM 99 CG2 THR A 7 -23.506 7.096 19.522 1.00 0.00 C ATOM 0 H THR A 7 -20.113 9.138 19.139 1.00 0.00 H new ATOM 0 HA THR A 7 -21.116 7.103 20.862 1.00 0.00 H new ATOM 0 HB THR A 7 -22.248 8.361 18.321 1.00 0.00 H new ATOM 0 HG1 THR A 7 -23.381 9.657 19.887 1.00 0.00 H new ATOM 0 HG21 THR A 7 -24.427 7.586 19.206 1.00 0.00 H new ATOM 0 HG22 THR A 7 -23.334 6.214 18.905 1.00 0.00 H new ATOM 0 HG23 THR A 7 -23.595 6.797 20.566 1.00 0.00 H new ATOM 107 N ALA A 8 -20.264 6.241 17.797 1.00 0.00 N ATOM 108 CA ALA A 8 -20.043 5.091 16.920 1.00 0.00 C ATOM 109 C ALA A 8 -18.937 4.186 17.448 1.00 0.00 C ATOM 110 O ALA A 8 -18.792 3.051 16.995 1.00 0.00 O ATOM 111 CB ALA A 8 -19.679 5.555 15.504 1.00 0.00 C ATOM 0 H ALA A 8 -19.953 7.134 17.414 1.00 0.00 H new ATOM 0 HA ALA A 8 -20.974 4.524 16.894 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -19.518 4.686 14.866 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -20.492 6.157 15.098 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -18.768 6.152 15.540 1.00 0.00 H new ATOM 117 N ASP A 9 -18.150 4.684 18.394 1.00 0.00 N ATOM 118 CA ASP A 9 -17.059 3.872 18.934 1.00 0.00 C ATOM 119 C ASP A 9 -17.613 2.691 19.722 1.00 0.00 C ATOM 120 O ASP A 9 -16.905 1.721 19.987 1.00 0.00 O ATOM 121 CB ASP A 9 -16.138 4.703 19.837 1.00 0.00 C ATOM 122 CG ASP A 9 -16.848 5.081 21.133 1.00 0.00 C ATOM 123 OD1 ASP A 9 -18.001 4.716 21.289 1.00 0.00 O ATOM 124 OD2 ASP A 9 -16.225 5.735 21.953 1.00 0.00 O1- ATOM 0 H ASP A 9 -18.239 5.617 18.796 1.00 0.00 H new ATOM 0 HA ASP A 9 -16.476 3.503 18.090 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.235 4.136 20.064 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.824 5.605 19.312 1.00 0.00 H new ATOM 129 N ALA A 10 -18.887 2.782 20.095 1.00 0.00 N ATOM 130 CA ALA A 10 -19.521 1.704 20.855 1.00 0.00 C ATOM 131 C ALA A 10 -19.511 0.403 20.053 1.00 0.00 C ATOM 132 O ALA A 10 -19.311 -0.674 20.615 1.00 0.00 O ATOM 133 CB ALA A 10 -20.962 2.071 21.259 1.00 0.00 C ATOM 0 H ALA A 10 -19.493 3.576 19.889 1.00 0.00 H new ATOM 0 HA ALA A 10 -18.943 1.560 21.768 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -21.403 1.248 21.822 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -20.949 2.968 21.878 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -21.555 2.257 20.363 1.00 0.00 H new ATOM 139 N GLU A 11 -19.719 0.500 18.738 1.00 0.00 N ATOM 140 CA GLU A 11 -19.718 -0.692 17.893 1.00 0.00 C ATOM 141 C GLU A 11 -18.330 -1.333 17.874 1.00 0.00 C ATOM 142 O GLU A 11 -18.208 -2.560 17.855 1.00 0.00 O ATOM 143 CB GLU A 11 -20.178 -0.368 16.460 1.00 0.00 C ATOM 144 CG GLU A 11 -21.673 -0.028 16.457 1.00 0.00 C ATOM 145 CD GLU A 11 -22.492 -1.279 16.757 1.00 0.00 C ATOM 146 OE1 GLU A 11 -21.944 -2.362 16.649 1.00 0.00 O ATOM 147 OE2 GLU A 11 -23.656 -1.135 17.090 1.00 0.00 O1- ATOM 0 H GLU A 11 -19.887 1.376 18.244 1.00 0.00 H new ATOM 0 HA GLU A 11 -20.428 -1.401 18.319 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.604 0.471 16.065 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.988 -1.219 15.806 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -21.881 0.740 17.201 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.960 0.381 15.488 1.00 0.00 H new ATOM 154 N LEU A 12 -17.287 -0.505 17.886 1.00 0.00 N ATOM 155 CA LEU A 12 -15.919 -1.020 17.876 1.00 0.00 C ATOM 156 C LEU A 12 -15.640 -1.801 19.161 1.00 0.00 C ATOM 157 O LEU A 12 -14.925 -2.803 19.142 1.00 0.00 O ATOM 158 CB LEU A 12 -14.891 0.115 17.709 1.00 0.00 C ATOM 159 CG LEU A 12 -14.969 0.703 16.287 1.00 0.00 C ATOM 160 CD1 LEU A 12 -14.106 1.967 16.225 1.00 0.00 C ATOM 161 CD2 LEU A 12 -14.464 -0.322 15.247 1.00 0.00 C ATOM 0 H LEU A 12 -17.360 0.512 17.902 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.819 -1.689 17.021 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -15.080 0.897 18.444 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.887 -0.264 17.898 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.006 0.945 16.056 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.154 2.392 15.222 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -14.476 2.696 16.946 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.073 1.714 16.463 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -14.527 0.111 14.249 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.428 -0.582 15.465 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -15.080 -1.220 15.292 1.00 0.00 H new ATOM 173 N GLN A 13 -16.212 -1.343 20.273 1.00 0.00 N ATOM 174 CA GLN A 13 -16.015 -2.019 21.553 1.00 0.00 C ATOM 175 C GLN A 13 -16.601 -3.430 21.508 1.00 0.00 C ATOM 176 O GLN A 13 -16.048 -4.357 22.100 1.00 0.00 O ATOM 177 CB GLN A 13 -16.636 -1.220 22.713 1.00 0.00 C ATOM 178 CG GLN A 13 -15.813 0.049 22.965 1.00 0.00 C ATOM 179 CD GLN A 13 -16.534 0.947 23.963 1.00 0.00 C ATOM 180 OE1 GLN A 13 -17.761 0.930 24.041 1.00 0.00 O ATOM 181 NE2 GLN A 13 -15.838 1.737 24.736 1.00 0.00 N ATOM 0 H GLN A 13 -16.809 -0.517 20.314 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.942 -2.087 21.730 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.666 -0.956 22.475 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -16.664 -1.832 23.615 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.828 -0.217 23.348 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -15.657 0.584 22.028 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.820 1.749 24.669 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -16.312 2.342 25.407 1.00 0.00 H new ATOM 190 N ARG A 14 -17.720 -3.591 20.801 1.00 0.00 N ATOM 191 CA ARG A 14 -18.356 -4.903 20.699 1.00 0.00 C ATOM 192 C ARG A 14 -17.404 -5.909 20.048 1.00 0.00 C ATOM 193 O ARG A 14 -17.360 -7.072 20.449 1.00 0.00 O ATOM 194 CB ARG A 14 -19.676 -4.824 19.907 1.00 0.00 C ATOM 195 CG ARG A 14 -20.321 -6.210 19.860 1.00 0.00 C ATOM 196 CD ARG A 14 -21.704 -6.110 19.218 1.00 0.00 C ATOM 197 NE ARG A 14 -22.604 -5.348 20.076 1.00 0.00 N ATOM 198 CZ ARG A 14 -23.849 -5.078 19.697 1.00 0.00 C ATOM 199 NH1 ARG A 14 -24.637 -4.393 20.480 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 -24.286 -5.498 18.541 1.00 0.00 N ATOM 0 H ARG A 14 -18.198 -2.843 20.299 1.00 0.00 H new ATOM 0 HA ARG A 14 -18.589 -5.242 21.709 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -20.353 -4.111 20.377 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -19.486 -4.464 18.896 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -19.693 -6.895 19.290 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -20.405 -6.617 20.867 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -21.626 -5.630 18.243 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -22.108 -7.108 19.050 1.00 0.00 H new ATOM 0 HE ARG A 14 -22.273 -5.017 20.982 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -24.298 -4.064 21.384 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -25.592 -4.186 20.188 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -23.672 -6.034 17.928 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -25.242 -5.290 18.251 1.00 0.00 H new ATOM 214 N LEU A 15 -16.638 -5.462 19.053 1.00 0.00 N ATOM 215 CA LEU A 15 -15.694 -6.354 18.381 1.00 0.00 C ATOM 216 C LEU A 15 -14.651 -6.859 19.380 1.00 0.00 C ATOM 217 O LEU A 15 -14.263 -8.026 19.342 1.00 0.00 O ATOM 218 CB LEU A 15 -15.019 -5.653 17.182 1.00 0.00 C ATOM 219 CG LEU A 15 -14.022 -6.603 16.498 1.00 0.00 C ATOM 220 CD1 LEU A 15 -14.750 -7.855 15.977 1.00 0.00 C ATOM 221 CD2 LEU A 15 -13.363 -5.868 15.326 1.00 0.00 C ATOM 0 H LEU A 15 -16.651 -4.505 18.699 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.245 -7.209 17.990 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.776 -5.333 16.466 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -14.502 -4.755 17.521 1.00 0.00 H new ATOM 0 HG LEU A 15 -13.266 -6.914 17.219 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.032 -8.519 15.495 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.222 -8.375 16.811 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -15.512 -7.559 15.256 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.653 -6.532 14.833 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -14.128 -5.560 14.613 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.838 -4.988 15.697 1.00 0.00 H new ATOM 233 N LYS A 16 -14.204 -5.979 20.279 1.00 0.00 N ATOM 234 CA LYS A 16 -13.214 -6.367 21.281 1.00 0.00 C ATOM 235 C LYS A 16 -13.773 -7.469 22.183 1.00 0.00 C ATOM 236 O LYS A 16 -13.049 -8.383 22.575 1.00 0.00 O ATOM 237 CB LYS A 16 -12.764 -5.153 22.122 1.00 0.00 C ATOM 238 CG LYS A 16 -11.700 -5.591 23.131 1.00 0.00 C ATOM 239 CD LYS A 16 -11.218 -4.372 23.922 1.00 0.00 C ATOM 240 CE LYS A 16 -10.141 -4.802 24.920 1.00 0.00 C ATOM 241 NZ LYS A 16 -10.731 -5.745 25.912 1.00 0.00 N1+ ATOM 0 H LYS A 16 -14.508 -5.007 20.333 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.339 -6.753 20.759 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.364 -4.376 21.471 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.619 -4.723 22.644 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.112 -6.339 23.809 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.862 -6.057 22.613 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.819 -3.619 23.242 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.055 -3.914 24.449 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.314 -5.280 24.395 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.733 -3.929 25.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.123 -5.788 26.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.678 -5.414 26.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.804 -6.693 25.490 1.00 0.00 H new ATOM 255 N ASN A 17 -15.064 -7.381 22.509 1.00 0.00 N ATOM 256 CA ASN A 17 -15.691 -8.387 23.364 1.00 0.00 C ATOM 257 C ASN A 17 -15.608 -9.770 22.719 1.00 0.00 C ATOM 258 O ASN A 17 -15.414 -10.771 23.409 1.00 0.00 O ATOM 259 CB ASN A 17 -17.157 -8.026 23.670 1.00 0.00 C ATOM 260 CG ASN A 17 -17.748 -9.047 24.635 1.00 0.00 C ATOM 261 OD1 ASN A 17 -17.149 -10.094 24.877 1.00 0.00 O ATOM 262 ND2 ASN A 17 -18.897 -8.802 25.206 1.00 0.00 N ATOM 0 H ASN A 17 -15.687 -6.635 22.199 1.00 0.00 H new ATOM 0 HA ASN A 17 -15.145 -8.408 24.307 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -17.213 -7.027 24.103 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -17.737 -8.006 22.747 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -19.299 -9.479 25.854 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -19.392 -7.933 25.004 1.00 0.00 H new ATOM 269 N GLU A 18 -15.744 -9.825 21.394 1.00 0.00 N ATOM 270 CA GLU A 18 -15.673 -11.103 20.687 1.00 0.00 C ATOM 271 C GLU A 18 -14.296 -11.742 20.880 1.00 0.00 C ATOM 272 O GLU A 18 -14.183 -12.962 21.000 1.00 0.00 O ATOM 273 CB GLU A 18 -15.979 -10.931 19.186 1.00 0.00 C ATOM 274 CG GLU A 18 -16.048 -12.309 18.511 1.00 0.00 C ATOM 275 CD GLU A 18 -14.642 -12.840 18.238 1.00 0.00 C ATOM 276 OE1 GLU A 18 -13.743 -12.033 18.068 1.00 0.00 O ATOM 277 OE2 GLU A 18 -14.487 -14.050 18.202 1.00 0.00 O1- ATOM 0 H GLU A 18 -15.901 -9.013 20.797 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.431 -11.762 21.110 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -16.924 -10.404 19.056 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.207 -10.323 18.715 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.589 -13.007 19.150 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.604 -12.236 17.576 1.00 0.00 H new ATOM 284 N ALA A 19 -13.251 -10.914 20.911 1.00 0.00 N ATOM 285 CA ALA A 19 -11.892 -11.424 21.092 1.00 0.00 C ATOM 286 C ALA A 19 -11.754 -12.113 22.448 1.00 0.00 C ATOM 287 O ALA A 19 -10.877 -12.954 22.639 1.00 0.00 O ATOM 288 CB ALA A 19 -10.862 -10.291 20.982 1.00 0.00 C ATOM 0 H ALA A 19 -13.317 -9.901 20.815 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.700 -12.150 20.301 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.860 -10.696 21.120 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.934 -9.828 19.998 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -11.060 -9.543 21.750 1.00 0.00 H new ATOM 294 N ALA A 20 -12.622 -11.749 23.390 1.00 0.00 N ATOM 295 CA ALA A 20 -12.576 -12.346 24.724 1.00 0.00 C ATOM 296 C ALA A 20 -12.819 -13.851 24.644 1.00 0.00 C ATOM 297 O ALA A 20 -12.365 -14.606 25.503 1.00 0.00 O ATOM 298 CB ALA A 20 -13.613 -11.699 25.657 1.00 0.00 C ATOM 0 H ALA A 20 -13.356 -11.053 23.258 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.583 -12.166 25.135 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.556 -12.163 26.642 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.407 -10.632 25.746 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.612 -11.843 25.246 1.00 0.00 H new ATOM 304 N GLU A 21 -13.533 -14.284 23.606 1.00 0.00 N ATOM 305 CA GLU A 21 -13.816 -15.707 23.434 1.00 0.00 C ATOM 306 C GLU A 21 -12.509 -16.484 23.266 1.00 0.00 C ATOM 307 O GLU A 21 -12.369 -17.593 23.779 1.00 0.00 O ATOM 308 CB GLU A 21 -14.759 -15.949 22.234 1.00 0.00 C ATOM 309 CG GLU A 21 -15.053 -17.447 22.086 1.00 0.00 C ATOM 310 CD GLU A 21 -15.772 -17.969 23.326 1.00 0.00 C ATOM 311 OE1 GLU A 21 -16.356 -17.163 24.032 1.00 0.00 O ATOM 312 OE2 GLU A 21 -15.728 -19.168 23.550 1.00 0.00 O1- ATOM 0 H GLU A 21 -13.921 -13.680 22.881 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.325 -16.067 24.328 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -15.690 -15.401 22.377 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.302 -15.568 21.320 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.667 -17.619 21.202 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.122 -17.995 21.939 1.00 0.00 H new ATOM 319 N GLU A 22 -11.551 -15.897 22.549 1.00 0.00 N ATOM 320 CA GLU A 22 -10.266 -16.552 22.333 1.00 0.00 C ATOM 321 C GLU A 22 -9.531 -16.746 23.662 1.00 0.00 C ATOM 322 O GLU A 22 -8.828 -17.739 23.850 1.00 0.00 O ATOM 323 CB GLU A 22 -9.394 -15.742 21.360 1.00 0.00 C ATOM 324 CG GLU A 22 -9.996 -15.820 19.955 1.00 0.00 C ATOM 325 CD GLU A 22 -9.245 -14.887 19.013 1.00 0.00 C ATOM 326 OE1 GLU A 22 -8.468 -14.082 19.502 1.00 0.00 O ATOM 327 OE2 GLU A 22 -9.457 -14.988 17.816 1.00 0.00 O1- ATOM 0 H GLU A 22 -11.640 -14.979 22.113 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.457 -17.530 21.892 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.335 -14.703 21.685 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.376 -16.133 21.354 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.943 -16.844 19.584 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.051 -15.546 19.987 1.00 0.00 H new ATOM 334 N ALA A 23 -9.693 -15.791 24.578 1.00 0.00 N ATOM 335 CA ALA A 23 -9.028 -15.875 25.880 1.00 0.00 C ATOM 336 C ALA A 23 -9.487 -17.113 26.651 1.00 0.00 C ATOM 337 O ALA A 23 -8.751 -17.637 27.486 1.00 0.00 O ATOM 338 CB ALA A 23 -9.297 -14.614 26.717 1.00 0.00 C ATOM 0 H ALA A 23 -10.271 -14.961 24.447 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.957 -15.953 25.696 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.792 -14.701 27.679 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.920 -13.739 26.188 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.370 -14.506 26.878 1.00 0.00 H new ATOM 344 N GLU A 24 -10.704 -17.576 26.374 1.00 0.00 N ATOM 345 CA GLU A 24 -11.229 -18.752 27.064 1.00 0.00 C ATOM 346 C GLU A 24 -10.366 -19.978 26.767 1.00 0.00 C ATOM 347 O GLU A 24 -10.163 -20.825 27.636 1.00 0.00 O ATOM 348 CB GLU A 24 -12.691 -19.019 26.668 1.00 0.00 C ATOM 349 CG GLU A 24 -13.583 -17.925 27.258 1.00 0.00 C ATOM 350 CD GLU A 24 -15.013 -18.090 26.752 1.00 0.00 C ATOM 351 OE1 GLU A 24 -15.212 -18.881 25.845 1.00 0.00 O ATOM 352 OE2 GLU A 24 -15.888 -17.425 27.282 1.00 0.00 O1- ATOM 0 H GLU A 24 -11.336 -17.163 25.688 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.198 -18.554 28.135 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.788 -19.037 25.582 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.006 -19.997 27.033 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.565 -17.977 28.347 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.201 -16.943 26.980 1.00 0.00 H new ATOM 359 N LEU A 25 -9.857 -20.072 25.538 1.00 0.00 N ATOM 360 CA LEU A 25 -9.016 -21.205 25.159 1.00 0.00 C ATOM 361 C LEU A 25 -7.744 -21.234 26.006 1.00 0.00 C ATOM 362 O LEU A 25 -7.254 -22.307 26.362 1.00 0.00 O ATOM 363 CB LEU A 25 -8.656 -21.157 23.662 1.00 0.00 C ATOM 364 CG LEU A 25 -9.881 -21.535 22.822 1.00 0.00 C ATOM 365 CD1 LEU A 25 -11.015 -20.529 23.059 1.00 0.00 C ATOM 366 CD2 LEU A 25 -9.491 -21.531 21.340 1.00 0.00 C ATOM 0 H LEU A 25 -10.010 -19.387 24.798 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.584 -22.117 25.342 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.313 -20.158 23.393 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.835 -21.843 23.454 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.226 -22.527 23.112 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.880 -20.807 22.457 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.290 -20.533 24.114 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.681 -19.531 22.775 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.357 -21.799 20.735 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.145 -20.537 21.058 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.693 -22.254 21.172 1.00 0.00 H new ATOM 378 N GLU A 26 -7.211 -20.057 26.328 1.00 0.00 N ATOM 379 CA GLU A 26 -5.994 -19.977 27.134 1.00 0.00 C ATOM 380 C GLU A 26 -6.230 -20.605 28.511 1.00 0.00 C ATOM 381 O GLU A 26 -5.342 -21.259 29.057 1.00 0.00 O ATOM 382 CB GLU A 26 -5.513 -18.515 27.276 1.00 0.00 C ATOM 383 CG GLU A 26 -4.219 -18.462 28.100 1.00 0.00 C ATOM 384 CD GLU A 26 -3.107 -19.221 27.383 1.00 0.00 C ATOM 385 OE1 GLU A 26 -3.219 -19.404 26.182 1.00 0.00 O ATOM 386 OE2 GLU A 26 -2.160 -19.610 28.046 1.00 0.00 O1- ATOM 0 H GLU A 26 -7.597 -19.155 26.047 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.210 -20.536 26.624 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.343 -18.083 26.290 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.285 -17.915 27.758 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.920 -17.425 28.255 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.389 -18.896 29.085 1.00 0.00 H new ATOM 393 N ARG A 27 -7.423 -20.406 29.069 1.00 0.00 N ATOM 394 CA ARG A 27 -7.739 -20.964 30.380 1.00 0.00 C ATOM 395 C ARG A 27 -7.674 -22.492 30.344 1.00 0.00 C ATOM 396 O ARG A 27 -7.248 -23.122 31.312 1.00 0.00 O ATOM 397 CB ARG A 27 -9.126 -20.505 30.856 1.00 0.00 C ATOM 398 CG ARG A 27 -9.087 -19.008 31.169 1.00 0.00 C ATOM 399 CD ARG A 27 -10.483 -18.533 31.572 1.00 0.00 C ATOM 400 NE ARG A 27 -10.912 -19.206 32.793 1.00 0.00 N ATOM 401 CZ ARG A 27 -10.515 -18.781 33.989 1.00 0.00 C ATOM 402 NH1 ARG A 27 -10.908 -19.403 35.066 1.00 0.00 N1+ ATOM 403 NH2 ARG A 27 -9.733 -17.741 34.084 1.00 0.00 N ATOM 0 H ARG A 27 -8.177 -19.870 28.640 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.995 -20.597 31.087 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.872 -20.708 30.087 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.422 -21.065 31.743 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.379 -18.813 31.974 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.740 -18.453 30.298 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.477 -17.454 31.726 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.190 -18.737 30.768 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.527 -20.017 32.728 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.520 -20.216 34.991 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.603 -19.077 35.983 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.427 -17.255 33.241 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.428 -17.414 35.001 1.00 0.00 H new ATOM 417 N LEU A 28 -8.094 -23.086 29.227 1.00 0.00 N ATOM 418 CA LEU A 28 -8.069 -24.540 29.096 1.00 0.00 C ATOM 419 C LEU A 28 -6.629 -25.049 29.109 1.00 0.00 C ATOM 420 O LEU A 28 -6.364 -26.170 29.541 1.00 0.00 O ATOM 421 CB LEU A 28 -8.765 -24.982 27.799 1.00 0.00 C ATOM 422 CG LEU A 28 -10.265 -24.653 27.865 1.00 0.00 C ATOM 423 CD1 LEU A 28 -10.896 -24.927 26.496 1.00 0.00 C ATOM 424 CD2 LEU A 28 -10.962 -25.515 28.940 1.00 0.00 C ATOM 0 H LEU A 28 -8.451 -22.589 28.411 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.606 -24.966 29.943 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.312 -24.479 26.945 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.626 -26.053 27.649 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.389 -23.603 28.130 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.961 -24.696 26.533 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.416 -24.303 25.742 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.761 -25.977 26.237 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.023 -25.268 28.972 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.842 -26.570 28.694 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.513 -25.316 29.913 1.00 0.00 H new ATOM 436 N LYS A 29 -5.702 -24.219 28.632 1.00 0.00 N ATOM 437 CA LYS A 29 -4.294 -24.608 28.599 1.00 0.00 C ATOM 438 C LYS A 29 -3.777 -24.882 30.014 1.00 0.00 C ATOM 439 O LYS A 29 -2.994 -25.807 30.222 1.00 0.00 O ATOM 440 CB LYS A 29 -3.434 -23.532 27.905 1.00 0.00 C ATOM 441 CG LYS A 29 -1.974 -23.993 27.849 1.00 0.00 C ATOM 442 CD LYS A 29 -1.135 -22.946 27.114 1.00 0.00 C ATOM 443 CE LYS A 29 0.318 -23.419 27.038 1.00 0.00 C ATOM 444 NZ LYS A 29 0.875 -23.529 28.414 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.897 -23.286 28.268 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.214 -25.527 28.018 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.807 -23.350 26.897 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.507 -22.589 28.447 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.589 -24.140 28.858 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.904 -24.954 27.339 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.530 -22.787 26.111 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.191 -21.990 27.634 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.372 -24.384 26.534 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.910 -22.718 26.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.914 -23.497 28.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.527 -22.738 28.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.574 -24.429 28.840 1.00 0.00 H new ATOM 458 N SER A 30 -4.217 -24.079 30.984 1.00 0.00 N ATOM 459 CA SER A 30 -3.778 -24.265 32.367 1.00 0.00 C ATOM 460 C SER A 30 -4.195 -25.644 32.884 1.00 0.00 C ATOM 461 O SER A 30 -3.440 -26.292 33.610 1.00 0.00 O ATOM 462 CB SER A 30 -4.326 -23.159 33.284 1.00 0.00 C ATOM 463 OG SER A 30 -3.882 -23.398 34.614 1.00 0.00 O ATOM 0 H SER A 30 -4.867 -23.306 30.841 1.00 0.00 H new ATOM 0 HA SER A 30 -2.690 -24.201 32.380 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.983 -22.182 32.942 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.415 -23.145 33.247 1.00 0.00 H new ATOM 0 HG SER A 30 -4.226 -22.696 35.205 1.00 0.00 H new ATOM 469 N GLU A 31 -5.395 -26.088 32.515 1.00 0.00 N ATOM 470 CA GLU A 31 -5.884 -27.390 32.962 1.00 0.00 C ATOM 471 C GLU A 31 -4.985 -28.513 32.445 1.00 0.00 C ATOM 472 O GLU A 31 -4.785 -29.515 33.130 1.00 0.00 O ATOM 473 CB GLU A 31 -7.334 -27.618 32.503 1.00 0.00 C ATOM 474 CG GLU A 31 -8.265 -26.687 33.282 1.00 0.00 C ATOM 475 CD GLU A 31 -9.679 -26.775 32.721 1.00 0.00 C ATOM 476 OE1 GLU A 31 -9.839 -27.347 31.655 1.00 0.00 O ATOM 477 OE2 GLU A 31 -10.584 -26.271 33.367 1.00 0.00 O1- ATOM 0 H GLU A 31 -6.039 -25.573 31.915 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.861 -27.400 34.052 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.423 -27.428 31.433 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.620 -28.657 32.667 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.266 -26.960 34.337 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.903 -25.661 33.219 1.00 0.00 H new ATOM 484 N ARG A 32 -4.450 -28.346 31.235 1.00 0.00 N ATOM 485 CA ARG A 32 -3.577 -29.367 30.650 1.00 0.00 C ATOM 486 C ARG A 32 -4.293 -30.710 30.591 1.00 0.00 C ATOM 487 O ARG A 32 -3.704 -31.754 30.875 1.00 0.00 O ATOM 488 CB ARG A 32 -2.297 -29.508 31.479 1.00 0.00 C ATOM 489 CG ARG A 32 -1.546 -28.175 31.497 1.00 0.00 C ATOM 490 CD ARG A 32 -0.392 -28.252 32.498 1.00 0.00 C ATOM 491 NE ARG A 32 -0.908 -28.422 33.850 1.00 0.00 N ATOM 492 CZ ARG A 32 -0.088 -28.599 34.882 1.00 0.00 C ATOM 493 NH1 ARG A 32 -0.574 -28.749 36.083 1.00 0.00 N1+ ATOM 494 NH2 ARG A 32 1.202 -28.623 34.692 1.00 0.00 N ATOM 0 H ARG A 32 -4.602 -27.526 30.647 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.319 -29.056 29.638 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.543 -29.812 32.497 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.663 -30.288 31.058 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.164 -27.948 30.502 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.225 -27.367 31.770 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.264 -29.085 32.244 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.209 -27.344 32.442 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.916 -28.405 34.008 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.583 -28.731 36.231 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.055 -28.885 36.874 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.581 -28.506 33.752 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.832 -28.759 35.483 1.00 0.00 H new ATOM 508 N HIS A 33 -5.569 -30.678 30.220 1.00 0.00 N ATOM 509 CA HIS A 33 -6.358 -31.906 30.126 1.00 0.00 C ATOM 510 C HIS A 33 -5.738 -32.858 29.109 1.00 0.00 C ATOM 511 O HIS A 33 -5.590 -34.052 29.371 1.00 0.00 O ATOM 512 CB HIS A 33 -7.802 -31.592 29.717 1.00 0.00 C ATOM 513 CG HIS A 33 -8.596 -32.869 29.652 1.00 0.00 C ATOM 514 ND1 HIS A 33 -8.387 -34.111 30.200 1.00 0.00 N flip ATOM 515 CD2 HIS A 33 -9.784 -32.963 28.945 1.00 0.00 C flip ATOM 516 CE1 HIS A 33 -9.427 -34.963 29.839 1.00 0.00 C flip ATOM 517 NE2 HIS A 33 -10.241 -34.221 29.084 1.00 0.00 N flip ATOM 0 H HIS A 33 -6.076 -29.826 29.981 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.363 -32.380 31.107 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.253 -30.907 30.435 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.816 -31.093 28.748 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.257 -32.171 28.384 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -9.549 -36.001 30.111 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.104 -34.566 28.664 1.00 0.00 H new ATOM 525 N ASP A 34 -5.379 -32.323 27.945 1.00 0.00 N ATOM 526 CA ASP A 34 -4.777 -33.136 26.892 1.00 0.00 C ATOM 527 C ASP A 34 -3.988 -32.262 25.920 1.00 0.00 C ATOM 528 O ASP A 34 -4.180 -31.046 25.869 1.00 0.00 O ATOM 529 CB ASP A 34 -5.869 -33.898 26.133 1.00 0.00 C ATOM 530 CG ASP A 34 -5.265 -35.071 25.365 1.00 0.00 C ATOM 531 OD1 ASP A 34 -4.074 -35.297 25.503 1.00 0.00 O ATOM 532 OD2 ASP A 34 -6.005 -35.727 24.649 1.00 0.00 O1- ATOM 0 H ASP A 34 -5.493 -31.338 27.708 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.093 -33.847 27.354 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.621 -34.262 26.833 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.377 -33.226 25.442 1.00 0.00 H new ATOM 537 N HIS A 35 -3.103 -32.889 25.153 1.00 0.00 N ATOM 538 CA HIS A 35 -2.290 -32.157 24.184 1.00 0.00 C ATOM 539 C HIS A 35 -3.155 -31.667 23.027 1.00 0.00 C ATOM 540 O HIS A 35 -2.791 -30.720 22.328 1.00 0.00 O ATOM 541 CB HIS A 35 -1.164 -33.047 23.647 1.00 0.00 C ATOM 542 CG HIS A 35 -0.187 -33.340 24.752 1.00 0.00 C ATOM 543 ND1 HIS A 35 -0.407 -34.337 25.689 1.00 0.00 N ATOM 544 CD2 HIS A 35 1.021 -32.778 25.082 1.00 0.00 C ATOM 545 CE1 HIS A 35 0.643 -34.344 26.530 1.00 0.00 C ATOM 546 NE2 HIS A 35 1.543 -33.412 26.205 1.00 0.00 N ATOM 0 H HIS A 35 -2.930 -33.894 25.181 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.850 -31.297 24.688 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.576 -33.977 23.255 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.656 -32.550 22.820 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.495 -31.966 24.550 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.746 -35.020 27.366 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.423 -33.209 26.678 1.00 0.00 H new ATOM 554 N ASP A 36 -4.298 -32.320 22.832 1.00 0.00 N ATOM 555 CA ASP A 36 -5.220 -31.942 21.756 1.00 0.00 C ATOM 556 C ASP A 36 -4.515 -31.962 20.395 1.00 0.00 C ATOM 557 O ASP A 36 -4.744 -31.087 19.560 1.00 0.00 O ATOM 558 CB ASP A 36 -5.772 -30.538 22.018 1.00 0.00 C ATOM 559 CG ASP A 36 -6.695 -30.560 23.231 1.00 0.00 C ATOM 560 OD1 ASP A 36 -7.091 -31.643 23.630 1.00 0.00 O ATOM 561 OD2 ASP A 36 -6.993 -29.493 23.743 1.00 0.00 O1- ATOM 0 H ASP A 36 -4.610 -33.109 23.399 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.035 -32.665 21.737 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.951 -29.841 22.188 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.316 -30.183 21.143 1.00 0.00 H new ATOM 566 N LYS A 37 -3.652 -32.958 20.175 1.00 0.00 N ATOM 567 CA LYS A 37 -2.924 -33.057 18.908 1.00 0.00 C ATOM 568 C LYS A 37 -3.881 -33.254 17.729 1.00 0.00 C ATOM 569 O LYS A 37 -3.657 -32.707 16.649 1.00 0.00 O ATOM 570 CB LYS A 37 -1.900 -34.204 18.950 1.00 0.00 C ATOM 571 CG LYS A 37 -0.768 -33.840 19.910 1.00 0.00 C ATOM 572 CD LYS A 37 0.256 -34.977 19.947 1.00 0.00 C ATOM 573 CE LYS A 37 1.375 -34.623 20.926 1.00 0.00 C ATOM 574 NZ LYS A 37 2.085 -33.402 20.451 1.00 0.00 N1+ ATOM 0 H LYS A 37 -3.443 -33.697 20.847 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.392 -32.116 18.765 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.383 -35.126 19.273 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.501 -34.386 17.952 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.289 -32.915 19.590 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.167 -33.663 20.909 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.227 -35.906 20.250 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.668 -35.142 18.951 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.962 -34.453 21.920 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.075 -35.454 21.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.030 -33.360 20.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.179 -33.436 19.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.542 -32.557 20.722 1.00 0.00 H new ATOM 588 N LYS A 38 -4.943 -34.036 17.930 1.00 0.00 N ATOM 589 CA LYS A 38 -5.903 -34.286 16.858 1.00 0.00 C ATOM 590 C LYS A 38 -6.574 -32.985 16.412 1.00 0.00 C ATOM 591 O LYS A 38 -6.848 -32.800 15.227 1.00 0.00 O ATOM 592 CB LYS A 38 -6.968 -35.305 17.301 1.00 0.00 C ATOM 593 CG LYS A 38 -6.322 -36.684 17.442 1.00 0.00 C ATOM 594 CD LYS A 38 -7.377 -37.698 17.887 1.00 0.00 C ATOM 595 CE LYS A 38 -6.734 -39.080 18.021 1.00 0.00 C ATOM 596 NZ LYS A 38 -7.762 -40.066 18.461 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.157 -34.500 18.813 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.355 -34.702 16.012 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.408 -34.999 18.250 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.777 -35.343 16.572 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.885 -36.991 16.492 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.511 -36.645 18.169 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.810 -37.393 18.840 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.191 -37.733 17.163 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.305 -39.387 17.067 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.917 -39.044 18.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.325 -41.005 18.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.152 -39.775 19.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.527 -40.107 17.758 1.00 0.00 H new ATOM 610 N GLU A 39 -6.843 -32.087 17.360 1.00 0.00 N ATOM 611 CA GLU A 39 -7.483 -30.818 17.029 1.00 0.00 C ATOM 612 C GLU A 39 -6.571 -29.967 16.148 1.00 0.00 C ATOM 613 O GLU A 39 -7.046 -29.169 15.342 1.00 0.00 O ATOM 614 CB GLU A 39 -7.844 -30.046 18.305 1.00 0.00 C ATOM 615 CG GLU A 39 -8.901 -30.823 19.093 1.00 0.00 C ATOM 616 CD GLU A 39 -10.222 -30.830 18.332 1.00 0.00 C ATOM 617 OE1 GLU A 39 -10.383 -29.996 17.456 1.00 0.00 O ATOM 618 OE2 GLU A 39 -11.055 -31.668 18.637 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.630 -32.213 18.350 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.398 -31.036 16.479 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.954 -29.899 18.917 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.222 -29.056 18.049 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.563 -31.846 19.259 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.040 -30.370 20.074 1.00 0.00 H new ATOM 625 N ALA A 40 -5.261 -30.142 16.306 1.00 0.00 N ATOM 626 CA ALA A 40 -4.292 -29.380 15.512 1.00 0.00 C ATOM 627 C ALA A 40 -4.395 -29.750 14.036 1.00 0.00 C ATOM 628 O ALA A 40 -3.923 -29.015 13.168 1.00 0.00 O ATOM 629 CB ALA A 40 -2.863 -29.638 16.004 1.00 0.00 C ATOM 0 H ALA A 40 -4.846 -30.797 16.969 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.524 -28.322 15.632 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.161 -29.063 15.401 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.777 -29.335 17.048 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.633 -30.700 15.914 1.00 0.00 H new ATOM 635 N GLU A 41 -5.002 -30.899 13.760 1.00 0.00 N ATOM 636 CA GLU A 41 -5.151 -31.368 12.385 1.00 0.00 C ATOM 637 C GLU A 41 -6.009 -30.410 11.564 1.00 0.00 C ATOM 638 O GLU A 41 -5.971 -30.430 10.334 1.00 0.00 O ATOM 639 CB GLU A 41 -5.790 -32.760 12.371 1.00 0.00 C ATOM 640 CG GLU A 41 -4.874 -33.752 13.092 1.00 0.00 C ATOM 641 CD GLU A 41 -3.588 -33.950 12.297 1.00 0.00 C ATOM 642 OE1 GLU A 41 -3.591 -33.639 11.117 1.00 0.00 O ATOM 643 OE2 GLU A 41 -2.619 -34.407 12.880 1.00 0.00 O1- ATOM 0 H GLU A 41 -5.397 -31.521 14.465 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.158 -31.414 11.939 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.765 -32.729 12.858 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.957 -33.084 11.344 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.640 -33.383 14.091 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.385 -34.707 13.216 1.00 0.00 H new ATOM 650 N ARG A 42 -6.788 -29.573 12.245 1.00 0.00 N ATOM 651 CA ARG A 42 -7.652 -28.622 11.549 1.00 0.00 C ATOM 652 C ARG A 42 -6.823 -27.704 10.654 1.00 0.00 C ATOM 653 O ARG A 42 -7.330 -27.142 9.684 1.00 0.00 O ATOM 654 CB ARG A 42 -8.446 -27.785 12.565 1.00 0.00 C ATOM 655 CG ARG A 42 -7.502 -26.860 13.343 1.00 0.00 C ATOM 656 CD ARG A 42 -8.296 -26.119 14.420 1.00 0.00 C ATOM 657 NE ARG A 42 -9.279 -25.234 13.806 1.00 0.00 N ATOM 658 CZ ARG A 42 -10.187 -24.599 14.541 1.00 0.00 C ATOM 659 NH1 ARG A 42 -11.057 -23.814 13.968 1.00 0.00 N1+ ATOM 660 NH2 ARG A 42 -10.206 -24.761 15.836 1.00 0.00 N ATOM 0 H ARG A 42 -6.839 -29.533 13.263 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.350 -29.181 10.926 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.202 -27.194 12.048 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.973 -28.443 13.256 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.701 -27.440 13.800 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.033 -26.147 12.665 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.798 -26.836 15.069 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.618 -25.541 15.048 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.270 -25.100 12.795 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.041 -23.687 12.956 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.754 -23.327 14.532 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.525 -25.374 16.283 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.902 -24.274 16.401 1.00 0.00 H new ATOM 674 N LYS A 43 -5.545 -27.556 10.992 1.00 0.00 N ATOM 675 CA LYS A 43 -4.646 -26.702 10.217 1.00 0.00 C ATOM 676 C LYS A 43 -4.374 -27.302 8.841 1.00 0.00 C ATOM 677 O LYS A 43 -3.982 -26.596 7.913 1.00 0.00 O ATOM 678 CB LYS A 43 -3.321 -26.511 10.961 1.00 0.00 C ATOM 679 CG LYS A 43 -3.559 -25.690 12.229 1.00 0.00 C ATOM 680 CD LYS A 43 -2.234 -25.496 12.970 1.00 0.00 C ATOM 681 CE LYS A 43 -2.463 -24.635 14.212 1.00 0.00 C ATOM 682 NZ LYS A 43 -3.391 -25.339 15.142 1.00 0.00 N1+ ATOM 0 H LYS A 43 -5.109 -28.013 11.793 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.132 -25.735 10.088 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.894 -27.480 11.218 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.601 -26.005 10.318 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.989 -24.722 11.972 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.277 -26.197 12.873 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.821 -26.463 13.257 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.505 -25.020 12.314 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.514 -24.437 14.710 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.881 -23.670 13.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.289 -24.945 16.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.371 -25.211 14.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.162 -26.353 15.159 1.00 0.00 H new ATOM 696 N ALA A 44 -4.571 -28.611 8.717 1.00 0.00 N ATOM 697 CA ALA A 44 -4.330 -29.294 7.444 1.00 0.00 C ATOM 698 C ALA A 44 -5.231 -28.729 6.348 1.00 0.00 C ATOM 699 O ALA A 44 -4.910 -28.816 5.163 1.00 0.00 O ATOM 700 CB ALA A 44 -4.565 -30.806 7.578 1.00 0.00 C ATOM 0 H ALA A 44 -4.893 -29.217 9.471 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.289 -29.124 7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.379 -31.289 6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.887 -31.215 8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.595 -30.988 7.883 1.00 0.00 H new ATOM 706 N LEU A 45 -6.359 -28.149 6.749 1.00 0.00 N ATOM 707 CA LEU A 45 -7.293 -27.575 5.785 1.00 0.00 C ATOM 708 C LEU A 45 -6.642 -26.397 5.059 1.00 0.00 C ATOM 709 O LEU A 45 -6.935 -26.141 3.891 1.00 0.00 O ATOM 710 CB LEU A 45 -8.584 -27.113 6.483 1.00 0.00 C ATOM 711 CG LEU A 45 -9.346 -28.325 7.039 1.00 0.00 C ATOM 712 CD1 LEU A 45 -10.527 -27.829 7.881 1.00 0.00 C ATOM 713 CD2 LEU A 45 -9.865 -29.214 5.889 1.00 0.00 C ATOM 0 H LEU A 45 -6.646 -28.064 7.724 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.550 -28.345 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.343 -26.423 7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.213 -26.570 5.778 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.671 -28.918 7.656 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.074 -28.683 8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.156 -27.219 8.705 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.192 -27.231 7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.402 -30.067 6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.537 -28.635 5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.023 -29.569 5.295 1.00 0.00 H new ATOM 725 N GLU A 46 -5.763 -25.681 5.757 1.00 0.00 N ATOM 726 CA GLU A 46 -5.086 -24.531 5.163 1.00 0.00 C ATOM 727 C GLU A 46 -4.237 -24.956 3.964 1.00 0.00 C ATOM 728 O GLU A 46 -4.136 -24.224 2.981 1.00 0.00 O ATOM 729 CB GLU A 46 -4.212 -23.814 6.204 1.00 0.00 C ATOM 730 CG GLU A 46 -5.111 -23.120 7.230 1.00 0.00 C ATOM 731 CD GLU A 46 -4.265 -22.542 8.358 1.00 0.00 C ATOM 732 OE1 GLU A 46 -3.091 -22.870 8.420 1.00 0.00 O ATOM 733 OE2 GLU A 46 -4.802 -21.780 9.146 1.00 0.00 O1- ATOM 0 H GLU A 46 -5.505 -25.874 6.725 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.851 -23.837 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.559 -24.530 6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.569 -23.083 5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.681 -22.326 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.833 -23.831 7.633 1.00 0.00 H new ATOM 740 N ASP A 47 -3.624 -26.138 4.044 1.00 0.00 N ATOM 741 CA ASP A 47 -2.790 -26.622 2.947 1.00 0.00 C ATOM 742 C ASP A 47 -3.617 -26.779 1.669 1.00 0.00 C ATOM 743 O ASP A 47 -3.130 -26.502 0.574 1.00 0.00 O ATOM 744 CB ASP A 47 -2.116 -27.957 3.311 1.00 0.00 C ATOM 745 CG ASP A 47 -1.030 -27.723 4.355 1.00 0.00 C ATOM 746 OD1 ASP A 47 -0.673 -26.576 4.566 1.00 0.00 O ATOM 747 OD2 ASP A 47 -0.569 -28.697 4.930 1.00 0.00 O1- ATOM 0 H ASP A 47 -3.688 -26.768 4.844 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.009 -25.882 2.770 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.858 -28.656 3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.684 -28.411 2.419 1.00 0.00 H new ATOM 752 N LYS A 48 -4.868 -27.218 1.810 1.00 0.00 N ATOM 753 CA LYS A 48 -5.734 -27.393 0.647 1.00 0.00 C ATOM 754 C LYS A 48 -5.968 -26.054 -0.051 1.00 0.00 C ATOM 755 O LYS A 48 -6.045 -25.993 -1.279 1.00 0.00 O ATOM 756 CB LYS A 48 -7.082 -28.028 1.049 1.00 0.00 C ATOM 757 CG LYS A 48 -6.881 -29.500 1.463 1.00 0.00 C ATOM 758 CD LYS A 48 -6.869 -30.410 0.226 1.00 0.00 C ATOM 759 CE LYS A 48 -6.775 -31.870 0.669 1.00 0.00 C ATOM 760 NZ LYS A 48 -7.991 -32.232 1.450 1.00 0.00 N1+ ATOM 0 H LYS A 48 -5.298 -27.455 2.704 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.233 -28.069 -0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.523 -27.469 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.781 -27.970 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.943 -29.606 2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.679 -29.806 2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.774 -30.255 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.025 -30.158 -0.416 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.682 -32.520 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.882 -32.020 1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.129 -33.262 1.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.873 -31.928 2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.821 -31.759 1.039 1.00 0.00 H new ATOM 774 N LEU A 49 -6.081 -24.981 0.732 1.00 0.00 N ATOM 775 CA LEU A 49 -6.303 -23.656 0.163 1.00 0.00 C ATOM 776 C LEU A 49 -5.112 -23.242 -0.704 1.00 0.00 C ATOM 777 O LEU A 49 -5.286 -22.584 -1.728 1.00 0.00 O ATOM 778 CB LEU A 49 -6.543 -22.616 1.272 1.00 0.00 C ATOM 779 CG LEU A 49 -7.878 -22.897 1.980 1.00 0.00 C ATOM 780 CD1 LEU A 49 -7.995 -21.982 3.202 1.00 0.00 C ATOM 781 CD2 LEU A 49 -9.063 -22.645 1.024 1.00 0.00 C ATOM 0 H LEU A 49 -6.023 -25.004 1.750 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.194 -23.700 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.726 -22.647 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.553 -21.613 0.845 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.905 -23.941 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.939 -22.174 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.168 -22.179 3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.961 -20.941 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.999 -22.849 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.050 -21.606 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.978 -23.301 0.158 1.00 0.00 H new ATOM 793 N ALA A 50 -3.906 -23.630 -0.290 1.00 0.00 N ATOM 794 CA ALA A 50 -2.702 -23.285 -1.049 1.00 0.00 C ATOM 795 C ALA A 50 -2.531 -21.771 -1.128 1.00 0.00 C ATOM 796 O ALA A 50 -1.967 -21.250 -2.090 1.00 0.00 O ATOM 797 CB ALA A 50 -2.797 -23.863 -2.464 1.00 0.00 C ATOM 0 H ALA A 50 -3.736 -24.176 0.555 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.838 -23.709 -0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.899 -23.603 -3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.889 -24.948 -2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.671 -23.450 -2.968 1.00 0.00 H new ATOM 803 N ASP A 51 -3.020 -21.068 -0.110 1.00 0.00 N ATOM 804 CA ASP A 51 -2.907 -19.612 -0.080 1.00 0.00 C ATOM 805 C ASP A 51 -1.438 -19.186 -0.054 1.00 0.00 C ATOM 806 O ASP A 51 -1.065 -18.192 -0.676 1.00 0.00 O ATOM 807 CB ASP A 51 -3.661 -19.016 1.124 1.00 0.00 C ATOM 808 CG ASP A 51 -3.603 -17.493 1.065 1.00 0.00 C ATOM 809 OD1 ASP A 51 -2.891 -16.978 0.219 1.00 0.00 O ATOM 810 OD2 ASP A 51 -4.272 -16.863 1.868 1.00 0.00 O1- ATOM 0 H ASP A 51 -3.493 -21.476 0.696 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.367 -19.225 -0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.698 -19.350 1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.218 -19.371 2.055 1.00 0.00 H new ATOM 815 N TYR A 52 -0.607 -19.937 0.670 1.00 0.00 N ATOM 816 CA TYR A 52 0.813 -19.612 0.759 1.00 0.00 C ATOM 817 C TYR A 52 1.606 -20.821 1.245 1.00 0.00 C ATOM 818 O TYR A 52 2.043 -21.593 0.407 1.00 0.00 O ATOM 819 CB TYR A 52 1.015 -18.438 1.722 1.00 0.00 C ATOM 820 CG TYR A 52 2.492 -18.179 1.909 1.00 0.00 C ATOM 821 CD1 TYR A 52 3.214 -17.499 0.920 1.00 0.00 C ATOM 822 CD2 TYR A 52 3.139 -18.615 3.072 1.00 0.00 C ATOM 823 CE1 TYR A 52 4.582 -17.256 1.094 1.00 0.00 C ATOM 824 CE2 TYR A 52 4.508 -18.373 3.244 1.00 0.00 C ATOM 825 CZ TYR A 52 5.229 -17.693 2.255 1.00 0.00 C ATOM 826 OH TYR A 52 6.577 -17.454 2.428 1.00 0.00 O ATOM 827 OXT TYR A 52 1.766 -20.957 2.446 1.00 0.00 O ATOM 0 H TYR A 52 -0.890 -20.764 1.196 1.00 0.00 H new ATOM 0 HA TYR A 52 1.172 -19.334 -0.232 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.527 -17.546 1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.551 -18.660 2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.716 -17.162 0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.583 -19.138 3.836 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.138 -16.731 0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 52 5.008 -18.711 4.140 1.00 0.00 H new ATOM 0 HH TYR A 52 6.867 -17.823 3.289 1.00 0.00 H new TER 837 TYR A 52