USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 424 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+ 177:sc= 0.972 (180deg=0.948) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 146:sc= 1.18 (180deg=0.87) USER MOD Single : A 7 THR OG1 : rot 9:sc= 0.944 USER MOD Single : A 13 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.41) USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= 2.13 (180deg=0.596) USER MOD Single : A 17 ASN : amide:sc=-0.000412 X(o=-0.00041,f=-0.25) USER MOD Single : A 20 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=-0.31) USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= 1.27 (180deg=1.2) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.18) USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= 1.34 (180deg=1.23) USER MOD Single : A 48 LYS NZ :NH3+ -153:sc= 1.92 (180deg=1.42) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.103 -17.326 6.509 1.00 0.00 N ATOM 2 CA GLY A 1 15.848 -18.025 7.787 1.00 0.00 C ATOM 3 C GLY A 1 15.008 -19.271 7.593 1.00 0.00 C ATOM 4 O GLY A 1 13.851 -19.319 8.009 1.00 0.00 O ATOM 0 H1 GLY A 1 16.637 -16.453 6.692 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.654 -17.944 5.879 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.197 -17.089 6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.798 -18.296 8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.341 -17.349 8.475 1.00 0.00 H new ATOM 10 N SER A 2 15.595 -20.285 6.971 1.00 0.00 N ATOM 11 CA SER A 2 14.899 -21.532 6.682 1.00 0.00 C ATOM 12 C SER A 2 14.639 -22.346 7.960 1.00 0.00 C ATOM 13 O SER A 2 13.718 -23.164 8.005 1.00 0.00 O ATOM 14 CB SER A 2 15.720 -22.360 5.694 1.00 0.00 C ATOM 15 OG SER A 2 16.072 -21.590 4.553 1.00 0.00 O ATOM 0 H SER A 2 16.564 -20.267 6.653 1.00 0.00 H new ATOM 0 HA SER A 2 13.932 -21.286 6.244 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.623 -22.726 6.183 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.148 -23.235 5.384 1.00 0.00 H new ATOM 0 HG SER A 2 16.598 -22.141 3.936 1.00 0.00 H new ATOM 21 N VAL A 3 15.440 -22.103 8.994 1.00 0.00 N ATOM 22 CA VAL A 3 15.306 -22.827 10.253 1.00 0.00 C ATOM 23 C VAL A 3 14.108 -22.284 11.107 1.00 0.00 C ATOM 24 O VAL A 3 14.302 -21.670 12.164 1.00 0.00 O ATOM 25 CB VAL A 3 16.644 -22.791 11.072 1.00 0.00 C ATOM 26 CG1 VAL A 3 17.061 -21.366 11.438 1.00 0.00 C ATOM 27 CG2 VAL A 3 16.551 -23.675 12.312 1.00 0.00 C ATOM 0 H VAL A 3 16.188 -21.410 8.984 1.00 0.00 H new ATOM 0 HA VAL A 3 15.089 -23.867 10.009 1.00 0.00 H new ATOM 0 HB VAL A 3 17.425 -23.192 10.426 1.00 0.00 H new ATOM 0 HG11 VAL A 3 17.992 -21.393 12.004 1.00 0.00 H new ATOM 0 HG12 VAL A 3 17.207 -20.784 10.528 1.00 0.00 H new ATOM 0 HG13 VAL A 3 16.282 -20.903 12.044 1.00 0.00 H new ATOM 0 HG21 VAL A 3 17.492 -23.632 12.861 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.741 -23.322 12.951 1.00 0.00 H new ATOM 0 HG23 VAL A 3 16.354 -24.704 12.011 1.00 0.00 H new ATOM 37 N GLU A 4 12.860 -22.461 10.596 1.00 0.00 N ATOM 38 CA GLU A 4 11.647 -22.035 11.314 1.00 0.00 C ATOM 39 C GLU A 4 11.620 -20.531 11.520 1.00 0.00 C ATOM 40 O GLU A 4 10.858 -20.025 12.347 1.00 0.00 O ATOM 41 CB GLU A 4 11.531 -22.757 12.664 1.00 0.00 C ATOM 42 CG GLU A 4 11.429 -24.269 12.549 1.00 0.00 C ATOM 43 CD GLU A 4 10.203 -24.712 11.785 1.00 0.00 C ATOM 44 OE1 GLU A 4 9.173 -25.013 12.427 1.00 0.00 O ATOM 45 OE2 GLU A 4 10.260 -24.767 10.536 1.00 0.00 O ATOM 0 H GLU A 4 12.677 -22.895 9.691 1.00 0.00 H new ATOM 0 HA GLU A 4 10.791 -22.306 10.696 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.399 -22.507 13.274 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.653 -22.383 13.190 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.320 -24.653 12.053 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.407 -24.705 13.548 1.00 0.00 H new ATOM 52 N LYS A 5 12.446 -19.819 10.744 1.00 0.00 N ATOM 53 CA LYS A 5 12.575 -18.372 10.855 1.00 0.00 C ATOM 54 C LYS A 5 12.906 -17.993 12.302 1.00 0.00 C ATOM 55 O LYS A 5 12.307 -17.073 12.863 1.00 0.00 O ATOM 56 CB LYS A 5 11.290 -17.667 10.407 1.00 0.00 C ATOM 57 CG LYS A 5 10.732 -18.152 9.078 1.00 0.00 C ATOM 58 CD LYS A 5 9.662 -17.208 8.562 1.00 0.00 C ATOM 59 CE LYS A 5 8.746 -17.883 7.557 1.00 0.00 C ATOM 60 NZ LYS A 5 7.867 -18.890 8.203 1.00 0.00 N ATOM 0 H LYS A 5 13.039 -20.234 10.025 1.00 0.00 H new ATOM 0 HA LYS A 5 13.383 -18.047 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.530 -17.802 11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.484 -16.597 10.336 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.537 -18.229 8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.314 -19.151 9.198 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.071 -16.837 9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.135 -16.343 8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.133 -17.130 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.346 -18.365 6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.946 -18.908 7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.310 -19.829 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.728 -18.639 9.203 1.00 0.00 H new ATOM 74 N LEU A 6 13.856 -18.747 12.909 1.00 0.00 N ATOM 75 CA LEU A 6 14.300 -18.514 14.289 1.00 0.00 C ATOM 76 C LEU A 6 13.227 -18.928 15.294 1.00 0.00 C ATOM 77 O LEU A 6 13.256 -18.504 16.444 1.00 0.00 O ATOM 78 CB LEU A 6 14.700 -17.042 14.501 1.00 0.00 C ATOM 79 CG LEU A 6 15.778 -16.500 13.554 1.00 0.00 C ATOM 80 CD1 LEU A 6 16.005 -15.017 13.799 1.00 0.00 C ATOM 81 CD2 LEU A 6 17.077 -17.276 13.720 1.00 0.00 C ATOM 0 H LEU A 6 14.328 -19.527 12.451 1.00 0.00 H new ATOM 0 HA LEU A 6 15.180 -19.135 14.459 1.00 0.00 H new ATOM 0 HB2 LEU A 6 13.808 -16.424 14.397 1.00 0.00 H new ATOM 0 HB3 LEU A 6 15.051 -16.925 15.526 1.00 0.00 H new ATOM 0 HG LEU A 6 15.432 -16.630 12.529 1.00 0.00 H new ATOM 0 HD11 LEU A 6 16.773 -14.649 13.118 1.00 0.00 H new ATOM 0 HD12 LEU A 6 15.076 -14.473 13.626 1.00 0.00 H new ATOM 0 HD13 LEU A 6 16.329 -14.864 14.828 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.829 -16.876 13.040 1.00 0.00 H new ATOM 0 HD22 LEU A 6 17.429 -17.180 14.747 1.00 0.00 H new ATOM 0 HD23 LEU A 6 16.904 -18.328 13.492 1.00 0.00 H new ATOM 93 N THR A 7 12.272 -19.758 14.832 1.00 0.00 N ATOM 94 CA THR A 7 11.155 -20.304 15.651 1.00 0.00 C ATOM 95 C THR A 7 10.214 -19.227 16.234 1.00 0.00 C ATOM 96 O THR A 7 9.140 -19.544 16.754 1.00 0.00 O ATOM 97 CB THR A 7 11.634 -21.276 16.784 1.00 0.00 C ATOM 98 OG1 THR A 7 12.556 -20.630 17.675 1.00 0.00 O ATOM 99 CG2 THR A 7 12.290 -22.513 16.193 1.00 0.00 C ATOM 0 H THR A 7 12.248 -20.078 13.864 1.00 0.00 H new ATOM 0 HA THR A 7 10.573 -20.883 14.934 1.00 0.00 H new ATOM 0 HB THR A 7 10.750 -21.571 17.349 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.592 -19.672 17.470 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.614 -23.173 16.998 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.574 -23.037 15.560 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.153 -22.217 15.596 1.00 0.00 H new ATOM 107 N ALA A 8 10.606 -17.968 16.135 1.00 0.00 N ATOM 108 CA ALA A 8 9.792 -16.872 16.655 1.00 0.00 C ATOM 109 C ALA A 8 8.628 -16.575 15.727 1.00 0.00 C ATOM 110 O ALA A 8 7.543 -16.200 16.177 1.00 0.00 O ATOM 111 CB ALA A 8 10.635 -15.615 16.869 1.00 0.00 C ATOM 0 H ALA A 8 11.481 -17.675 15.701 1.00 0.00 H new ATOM 0 HA ALA A 8 9.393 -17.184 17.620 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.004 -14.815 17.256 1.00 0.00 H new ATOM 0 HB2 ALA A 8 11.431 -15.828 17.583 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.073 -15.304 15.920 1.00 0.00 H new ATOM 117 N ASP A 9 8.853 -16.774 14.433 1.00 0.00 N ATOM 118 CA ASP A 9 7.832 -16.492 13.409 1.00 0.00 C ATOM 119 C ASP A 9 6.583 -17.324 13.621 1.00 0.00 C ATOM 120 O ASP A 9 5.486 -16.799 13.664 1.00 0.00 O ATOM 121 CB ASP A 9 8.378 -16.738 11.999 1.00 0.00 C ATOM 122 CG ASP A 9 7.314 -16.597 10.927 1.00 0.00 C ATOM 123 OD1 ASP A 9 6.878 -15.462 10.659 1.00 0.00 O ATOM 124 OD2 ASP A 9 6.934 -17.630 10.332 1.00 0.00 O ATOM 0 H ASP A 9 9.733 -17.130 14.059 1.00 0.00 H new ATOM 0 HA ASP A 9 7.569 -15.439 13.509 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.186 -16.034 11.798 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.808 -17.739 11.949 1.00 0.00 H new ATOM 129 N ALA A 10 6.761 -18.621 13.785 1.00 0.00 N ATOM 130 CA ALA A 10 5.628 -19.535 13.953 1.00 0.00 C ATOM 131 C ALA A 10 4.833 -19.223 15.214 1.00 0.00 C ATOM 132 O ALA A 10 3.629 -19.454 15.265 1.00 0.00 O ATOM 133 CB ALA A 10 6.091 -20.990 13.965 1.00 0.00 C ATOM 0 H ALA A 10 7.675 -19.073 13.807 1.00 0.00 H new ATOM 0 HA ALA A 10 4.970 -19.387 13.097 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.229 -21.645 14.091 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.588 -21.221 13.023 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.787 -21.144 14.790 1.00 0.00 H new ATOM 139 N GLU A 11 5.501 -18.672 16.214 1.00 0.00 N ATOM 140 CA GLU A 11 4.839 -18.354 17.473 1.00 0.00 C ATOM 141 C GLU A 11 3.993 -17.090 17.311 1.00 0.00 C ATOM 142 O GLU A 11 2.799 -17.075 17.633 1.00 0.00 O ATOM 143 CB GLU A 11 5.867 -18.205 18.616 1.00 0.00 C ATOM 144 CG GLU A 11 5.244 -18.049 19.993 1.00 0.00 C ATOM 145 CD GLU A 11 4.431 -19.259 20.420 1.00 0.00 C ATOM 146 OE1 GLU A 11 4.451 -20.294 19.708 1.00 0.00 O ATOM 147 OE2 GLU A 11 3.772 -19.185 21.477 1.00 0.00 O ATOM 0 H GLU A 11 6.493 -18.436 16.182 1.00 0.00 H new ATOM 0 HA GLU A 11 4.177 -19.177 17.741 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.519 -19.079 18.621 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.497 -17.339 18.413 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.033 -17.872 20.724 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.602 -17.168 19.997 1.00 0.00 H new ATOM 154 N LEU A 12 4.609 -16.038 16.797 1.00 0.00 N ATOM 155 CA LEU A 12 3.897 -14.793 16.528 1.00 0.00 C ATOM 156 C LEU A 12 2.790 -15.016 15.496 1.00 0.00 C ATOM 157 O LEU A 12 1.725 -14.402 15.572 1.00 0.00 O ATOM 158 CB LEU A 12 4.875 -13.683 16.081 1.00 0.00 C ATOM 159 CG LEU A 12 5.707 -13.942 14.810 1.00 0.00 C ATOM 160 CD1 LEU A 12 4.965 -13.520 13.560 1.00 0.00 C ATOM 161 CD2 LEU A 12 7.042 -13.238 14.904 1.00 0.00 C ATOM 0 H LEU A 12 5.600 -16.018 16.557 1.00 0.00 H new ATOM 0 HA LEU A 12 3.426 -14.460 17.453 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.301 -12.769 15.927 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.565 -13.491 16.902 1.00 0.00 H new ATOM 0 HG LEU A 12 5.880 -15.016 14.738 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.584 -13.718 12.685 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.035 -14.083 13.482 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.741 -12.455 13.612 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.619 -13.430 13.999 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.881 -12.165 15.011 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.590 -13.611 15.770 1.00 0.00 H new ATOM 173 N GLN A 13 3.057 -15.909 14.543 1.00 0.00 N ATOM 174 CA GLN A 13 2.080 -16.282 13.510 1.00 0.00 C ATOM 175 C GLN A 13 0.815 -16.863 14.150 1.00 0.00 C ATOM 176 O GLN A 13 -0.296 -16.694 13.638 1.00 0.00 O ATOM 177 CB GLN A 13 2.697 -17.290 12.519 1.00 0.00 C ATOM 178 CG GLN A 13 1.742 -17.771 11.453 1.00 0.00 C ATOM 179 CD GLN A 13 2.381 -18.745 10.485 1.00 0.00 C ATOM 180 OE1 GLN A 13 2.906 -18.355 9.444 1.00 0.00 O ATOM 181 NE2 GLN A 13 2.345 -20.020 10.823 1.00 0.00 N ATOM 0 H GLN A 13 3.951 -16.394 14.462 1.00 0.00 H new ATOM 0 HA GLN A 13 1.804 -15.383 12.959 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.559 -16.828 12.038 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.066 -18.151 13.076 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.885 -18.249 11.929 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.362 -16.913 10.899 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.900 -20.304 11.696 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.762 -20.722 10.212 1.00 0.00 H new ATOM 190 N ARG A 14 0.987 -17.541 15.283 1.00 0.00 N ATOM 191 CA ARG A 14 -0.145 -18.094 16.021 1.00 0.00 C ATOM 192 C ARG A 14 -1.034 -16.975 16.522 1.00 0.00 C ATOM 193 O ARG A 14 -2.255 -17.097 16.536 1.00 0.00 O ATOM 194 CB ARG A 14 0.326 -18.932 17.211 1.00 0.00 C ATOM 195 CG ARG A 14 1.103 -20.171 16.832 1.00 0.00 C ATOM 196 CD ARG A 14 1.683 -20.849 18.057 1.00 0.00 C ATOM 197 NE ARG A 14 0.652 -21.274 19.000 1.00 0.00 N ATOM 198 CZ ARG A 14 0.902 -21.706 20.235 1.00 0.00 C ATOM 199 NH1 ARG A 14 2.145 -21.701 20.705 1.00 0.00 N ATOM 200 NH2 ARG A 14 -0.097 -22.115 21.007 1.00 0.00 N ATOM 0 H ARG A 14 1.897 -17.720 15.708 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.704 -18.736 15.341 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.948 -18.310 17.854 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.543 -19.228 17.798 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.450 -20.866 16.303 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.907 -19.904 16.146 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.267 -21.716 17.747 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.369 -20.165 18.557 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.320 -21.238 18.694 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.910 -21.366 20.120 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.334 -22.032 21.651 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.054 -22.098 20.654 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.092 -22.446 21.953 1.00 0.00 H new ATOM 214 N LEU A 15 -0.413 -15.879 16.918 1.00 0.00 N ATOM 215 CA LEU A 15 -1.148 -14.734 17.435 1.00 0.00 C ATOM 216 C LEU A 15 -1.730 -13.908 16.307 1.00 0.00 C ATOM 217 O LEU A 15 -2.873 -13.476 16.373 1.00 0.00 O ATOM 218 CB LEU A 15 -0.252 -13.857 18.305 1.00 0.00 C ATOM 219 CG LEU A 15 0.374 -14.541 19.513 1.00 0.00 C ATOM 220 CD1 LEU A 15 1.197 -13.552 20.314 1.00 0.00 C ATOM 221 CD2 LEU A 15 -0.695 -15.180 20.387 1.00 0.00 C ATOM 0 H LEU A 15 0.599 -15.755 16.892 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.964 -15.119 18.046 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.548 -13.458 17.682 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.838 -13.007 18.655 1.00 0.00 H new ATOM 0 HG LEU A 15 1.035 -15.330 19.154 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.637 -14.057 21.174 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.990 -13.146 19.686 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.556 -12.741 20.659 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.224 -15.662 21.244 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.385 -14.413 20.737 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.242 -15.923 19.807 1.00 0.00 H new ATOM 233 N LYS A 16 -0.934 -13.678 15.274 1.00 0.00 N ATOM 234 CA LYS A 16 -1.389 -12.903 14.111 1.00 0.00 C ATOM 235 C LYS A 16 -2.477 -13.644 13.316 1.00 0.00 C ATOM 236 O LYS A 16 -3.133 -13.056 12.448 1.00 0.00 O ATOM 237 CB LYS A 16 -0.220 -12.512 13.210 1.00 0.00 C ATOM 238 CG LYS A 16 0.823 -11.629 13.890 1.00 0.00 C ATOM 239 CD LYS A 16 0.195 -10.373 14.480 1.00 0.00 C ATOM 240 CE LYS A 16 1.242 -9.449 15.087 1.00 0.00 C ATOM 241 NZ LYS A 16 2.117 -10.158 16.055 1.00 0.00 N ATOM 0 H LYS A 16 0.028 -14.012 15.209 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.837 -11.986 14.495 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.266 -13.419 12.850 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.608 -11.990 12.336 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.320 -12.193 14.679 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.590 -11.348 13.168 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.353 -9.841 13.702 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.529 -10.654 15.245 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.853 -9.022 14.292 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.745 -8.618 15.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.573 -9.465 16.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.545 -10.816 16.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.846 -10.690 15.539 1.00 0.00 H new ATOM 255 N ASN A 17 -2.631 -14.939 13.606 1.00 0.00 N ATOM 256 CA ASN A 17 -3.708 -15.787 13.047 1.00 0.00 C ATOM 257 C ASN A 17 -3.450 -16.261 11.621 1.00 0.00 C ATOM 258 O ASN A 17 -4.369 -16.777 10.974 1.00 0.00 O ATOM 259 CB ASN A 17 -5.089 -15.104 13.139 1.00 0.00 C ATOM 260 CG ASN A 17 -5.582 -14.949 14.565 1.00 0.00 C ATOM 261 OD1 ASN A 17 -5.374 -13.916 15.202 1.00 0.00 O ATOM 262 ND2 ASN A 17 -6.231 -15.973 15.077 1.00 0.00 N ATOM 0 H ASN A 17 -2.010 -15.441 14.241 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.710 -16.677 13.676 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.033 -14.121 12.671 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.814 -15.687 12.571 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.582 -15.928 16.034 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.383 -16.812 14.517 1.00 0.00 H new ATOM 269 N GLU A 18 -2.212 -16.097 11.127 1.00 0.00 N ATOM 270 CA GLU A 18 -1.843 -16.586 9.781 1.00 0.00 C ATOM 271 C GLU A 18 -2.718 -15.932 8.709 1.00 0.00 C ATOM 272 O GLU A 18 -3.059 -16.563 7.710 1.00 0.00 O ATOM 273 CB GLU A 18 -2.046 -18.106 9.704 1.00 0.00 C ATOM 274 CG GLU A 18 -1.304 -18.893 10.755 1.00 0.00 C ATOM 275 CD GLU A 18 -1.721 -20.335 10.782 1.00 0.00 C ATOM 276 OE1 GLU A 18 -2.672 -20.669 11.523 1.00 0.00 O ATOM 277 OE2 GLU A 18 -1.111 -21.148 10.063 1.00 0.00 O ATOM 0 H GLU A 18 -1.454 -15.635 11.630 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.798 -16.332 9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.111 -18.322 9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.731 -18.452 8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.233 -18.830 10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.481 -18.447 11.734 1.00 0.00 H new ATOM 284 N ARG A 19 -3.055 -14.670 8.896 1.00 0.00 N ATOM 285 CA ARG A 19 -3.978 -14.022 7.981 1.00 0.00 C ATOM 286 C ARG A 19 -3.251 -13.127 6.983 1.00 0.00 C ATOM 287 O ARG A 19 -3.030 -13.518 5.835 1.00 0.00 O ATOM 288 CB ARG A 19 -5.048 -13.254 8.753 1.00 0.00 C ATOM 289 CG ARG A 19 -6.267 -12.899 7.921 1.00 0.00 C ATOM 290 CD ARG A 19 -7.536 -13.023 8.746 1.00 0.00 C ATOM 291 NE ARG A 19 -7.707 -14.388 9.264 1.00 0.00 N ATOM 292 CZ ARG A 19 -8.170 -14.688 10.483 1.00 0.00 C ATOM 293 NH1 ARG A 19 -8.508 -13.720 11.332 1.00 0.00 N ATOM 294 NH2 ARG A 19 -8.276 -15.959 10.857 1.00 0.00 N ATOM 0 H ARG A 19 -2.713 -14.082 9.656 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.475 -14.799 7.400 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.365 -13.851 9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.610 -12.338 9.149 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.171 -11.881 7.543 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.326 -13.557 7.054 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.502 -12.318 9.577 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.397 -12.754 8.135 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.455 -15.162 8.650 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.415 -12.743 11.055 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.860 -13.955 12.260 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.005 -16.704 10.215 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.629 -16.190 11.786 1.00 0.00 H new ATOM 308 N HIS A 20 -2.856 -11.943 7.425 1.00 0.00 N ATOM 309 CA HIS A 20 -2.154 -10.996 6.553 1.00 0.00 C ATOM 310 C HIS A 20 -0.780 -11.539 6.210 1.00 0.00 C ATOM 311 O HIS A 20 -0.232 -11.269 5.142 1.00 0.00 O ATOM 312 CB HIS A 20 -1.999 -9.634 7.245 1.00 0.00 C ATOM 313 CG HIS A 20 -3.273 -9.080 7.803 1.00 0.00 C ATOM 314 ND1 HIS A 20 -3.675 -9.300 9.103 1.00 0.00 N ATOM 315 CD2 HIS A 20 -4.232 -8.309 7.241 1.00 0.00 C ATOM 316 CE1 HIS A 20 -4.825 -8.689 9.316 1.00 0.00 C ATOM 317 NE2 HIS A 20 -5.185 -8.082 8.205 1.00 0.00 N ATOM 0 H HIS A 20 -3.006 -11.610 8.377 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.740 -10.866 5.643 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.273 -9.730 8.053 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.588 -8.921 6.530 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.246 -7.941 6.226 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.377 -8.687 10.244 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.035 -7.532 8.080 1.00 0.00 H new ATOM 325 N GLU A 21 -0.251 -12.329 7.129 1.00 0.00 N ATOM 326 CA GLU A 21 1.073 -12.908 7.011 1.00 0.00 C ATOM 327 C GLU A 21 1.210 -13.762 5.760 1.00 0.00 C ATOM 328 O GLU A 21 2.150 -13.590 4.990 1.00 0.00 O ATOM 329 CB GLU A 21 1.376 -13.747 8.243 1.00 0.00 C ATOM 330 CG GLU A 21 1.091 -13.032 9.540 1.00 0.00 C ATOM 331 CD GLU A 21 1.381 -13.886 10.737 1.00 0.00 C ATOM 332 OE1 GLU A 21 0.503 -14.681 11.123 1.00 0.00 O ATOM 333 OE2 GLU A 21 2.491 -13.754 11.304 1.00 0.00 O ATOM 0 H GLU A 21 -0.736 -12.588 7.988 1.00 0.00 H new ATOM 0 HA GLU A 21 1.788 -12.089 6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.786 -14.662 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.425 -14.043 8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.691 -12.124 9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.045 -12.725 9.561 1.00 0.00 H new ATOM 340 N GLU A 22 0.262 -14.667 5.554 1.00 0.00 N ATOM 341 CA GLU A 22 0.325 -15.578 4.419 1.00 0.00 C ATOM 342 C GLU A 22 0.184 -14.823 3.106 1.00 0.00 C ATOM 343 O GLU A 22 1.012 -14.971 2.208 1.00 0.00 O ATOM 344 CB GLU A 22 -0.749 -16.676 4.514 1.00 0.00 C ATOM 345 CG GLU A 22 -0.698 -17.674 3.368 1.00 0.00 C ATOM 346 CD GLU A 22 -1.866 -18.626 3.375 1.00 0.00 C ATOM 347 OE1 GLU A 22 -2.933 -18.262 2.842 1.00 0.00 O ATOM 348 OE2 GLU A 22 -1.726 -19.746 3.904 1.00 0.00 O ATOM 0 H GLU A 22 -0.554 -14.789 6.153 1.00 0.00 H new ATOM 0 HA GLU A 22 1.304 -16.057 4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.629 -17.210 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.734 -16.209 4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.680 -17.134 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.230 -18.243 3.428 1.00 0.00 H new ATOM 355 N ALA A 23 -0.850 -13.996 3.010 1.00 0.00 N ATOM 356 CA ALA A 23 -1.130 -13.255 1.779 1.00 0.00 C ATOM 357 C ALA A 23 0.052 -12.399 1.333 1.00 0.00 C ATOM 358 O ALA A 23 0.443 -12.437 0.163 1.00 0.00 O ATOM 359 CB ALA A 23 -2.390 -12.397 1.921 1.00 0.00 C ATOM 0 H ALA A 23 -1.510 -13.819 3.767 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.303 -14.000 1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.571 -11.859 0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.244 -13.038 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.254 -11.682 2.732 1.00 0.00 H new ATOM 365 N GLU A 24 0.613 -11.630 2.250 1.00 0.00 N ATOM 366 CA GLU A 24 1.737 -10.755 1.922 1.00 0.00 C ATOM 367 C GLU A 24 3.004 -11.544 1.602 1.00 0.00 C ATOM 368 O GLU A 24 3.658 -11.292 0.586 1.00 0.00 O ATOM 369 CB GLU A 24 1.999 -9.751 3.049 1.00 0.00 C ATOM 370 CG GLU A 24 0.875 -8.740 3.236 1.00 0.00 C ATOM 371 CD GLU A 24 0.729 -7.813 2.044 1.00 0.00 C ATOM 372 OE1 GLU A 24 1.038 -6.614 2.178 1.00 0.00 O ATOM 373 OE2 GLU A 24 0.323 -8.282 0.956 1.00 0.00 O ATOM 0 H GLU A 24 0.314 -11.590 3.224 1.00 0.00 H new ATOM 0 HA GLU A 24 1.459 -10.204 1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.147 -10.295 3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.926 -9.217 2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.064 -9.270 3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.066 -8.149 4.132 1.00 0.00 H new ATOM 380 N LEU A 25 3.333 -12.508 2.448 1.00 0.00 N ATOM 381 CA LEU A 25 4.550 -13.291 2.273 1.00 0.00 C ATOM 382 C LEU A 25 4.510 -14.100 0.976 1.00 0.00 C ATOM 383 O LEU A 25 5.452 -14.062 0.182 1.00 0.00 O ATOM 384 CB LEU A 25 4.770 -14.216 3.473 1.00 0.00 C ATOM 385 CG LEU A 25 6.111 -14.950 3.520 1.00 0.00 C ATOM 386 CD1 LEU A 25 7.266 -13.958 3.543 1.00 0.00 C ATOM 387 CD2 LEU A 25 6.169 -15.864 4.733 1.00 0.00 C ATOM 0 H LEU A 25 2.776 -12.768 3.262 1.00 0.00 H new ATOM 0 HA LEU A 25 5.387 -12.596 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.670 -13.626 4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.972 -14.958 3.485 1.00 0.00 H new ATOM 0 HG LEU A 25 6.203 -15.559 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.211 -14.500 3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.233 -13.341 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.182 -13.322 4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.129 -16.380 4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.056 -15.271 5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.364 -16.597 4.675 1.00 0.00 H new ATOM 399 N GLU A 26 3.408 -14.809 0.749 1.00 0.00 N ATOM 400 CA GLU A 26 3.264 -15.626 -0.449 1.00 0.00 C ATOM 401 C GLU A 26 3.253 -14.778 -1.711 1.00 0.00 C ATOM 402 O GLU A 26 3.661 -15.240 -2.778 1.00 0.00 O ATOM 403 CB GLU A 26 2.012 -16.494 -0.377 1.00 0.00 C ATOM 404 CG GLU A 26 2.182 -17.731 0.482 1.00 0.00 C ATOM 405 CD GLU A 26 3.288 -18.625 -0.030 1.00 0.00 C ATOM 406 OE1 GLU A 26 3.211 -19.055 -1.205 1.00 0.00 O ATOM 407 OE2 GLU A 26 4.233 -18.905 0.730 1.00 0.00 O ATOM 0 H GLU A 26 2.605 -14.834 1.377 1.00 0.00 H new ATOM 0 HA GLU A 26 4.134 -16.281 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.189 -15.898 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.732 -16.798 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.401 -17.434 1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.246 -18.289 0.505 1.00 0.00 H new ATOM 414 N ARG A 27 2.791 -13.542 -1.590 1.00 0.00 N ATOM 415 CA ARG A 27 2.762 -12.632 -2.732 1.00 0.00 C ATOM 416 C ARG A 27 4.181 -12.258 -3.133 1.00 0.00 C ATOM 417 O ARG A 27 4.540 -12.312 -4.309 1.00 0.00 O ATOM 418 CB ARG A 27 1.955 -11.363 -2.419 1.00 0.00 C ATOM 419 CG ARG A 27 1.808 -10.431 -3.607 1.00 0.00 C ATOM 420 CD ARG A 27 1.156 -9.124 -3.203 1.00 0.00 C ATOM 421 NE ARG A 27 0.899 -8.262 -4.355 1.00 0.00 N ATOM 422 CZ ARG A 27 0.883 -6.930 -4.309 1.00 0.00 C ATOM 423 NH1 ARG A 27 1.132 -6.294 -3.164 1.00 0.00 N ATOM 424 NH2 ARG A 27 0.623 -6.231 -5.408 1.00 0.00 N ATOM 0 H ARG A 27 2.433 -13.146 -0.721 1.00 0.00 H new ATOM 0 HA ARG A 27 2.273 -13.146 -3.559 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.964 -11.650 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.439 -10.826 -1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.788 -10.232 -4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.210 -10.915 -4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.218 -9.331 -2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.799 -8.601 -2.495 1.00 0.00 H new ATOM 0 HE ARG A 27 0.720 -8.710 -5.254 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.336 -6.827 -2.318 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.119 -5.275 -3.134 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.436 -6.714 -6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.611 -5.212 -5.373 1.00 0.00 H new ATOM 438 N LEU A 28 4.989 -11.898 -2.142 1.00 0.00 N ATOM 439 CA LEU A 28 6.375 -11.522 -2.378 1.00 0.00 C ATOM 440 C LEU A 28 7.154 -12.712 -2.912 1.00 0.00 C ATOM 441 O LEU A 28 7.955 -12.583 -3.840 1.00 0.00 O ATOM 442 CB LEU A 28 7.016 -11.009 -1.084 1.00 0.00 C ATOM 443 CG LEU A 28 6.338 -9.792 -0.445 1.00 0.00 C ATOM 444 CD1 LEU A 28 7.029 -9.418 0.855 1.00 0.00 C ATOM 445 CD2 LEU A 28 6.336 -8.613 -1.405 1.00 0.00 C ATOM 0 H LEU A 28 4.705 -11.859 -1.163 1.00 0.00 H new ATOM 0 HA LEU A 28 6.399 -10.723 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.024 -11.821 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.056 -10.756 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 28 5.304 -10.055 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.534 -8.552 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.977 -10.257 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.073 -9.177 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.850 -7.760 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.362 -8.350 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.794 -8.883 -2.311 1.00 0.00 H new ATOM 457 N LYS A 29 6.898 -13.870 -2.323 1.00 0.00 N ATOM 458 CA LYS A 29 7.536 -15.122 -2.738 1.00 0.00 C ATOM 459 C LYS A 29 7.164 -15.473 -4.174 1.00 0.00 C ATOM 460 O LYS A 29 7.981 -16.015 -4.922 1.00 0.00 O ATOM 461 CB LYS A 29 7.127 -16.270 -1.802 1.00 0.00 C ATOM 462 CG LYS A 29 7.767 -17.609 -2.139 1.00 0.00 C ATOM 463 CD LYS A 29 7.195 -18.725 -1.282 1.00 0.00 C ATOM 464 CE LYS A 29 7.477 -18.502 0.191 1.00 0.00 C ATOM 465 NZ LYS A 29 6.815 -19.515 1.038 1.00 0.00 N ATOM 0 H LYS A 29 6.245 -13.974 -1.546 1.00 0.00 H new ATOM 0 HA LYS A 29 8.615 -14.982 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.391 -16.001 -0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.043 -16.380 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.605 -17.837 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.845 -17.548 -1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.119 -18.790 -1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.622 -19.678 -1.594 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.553 -18.532 0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.135 -17.508 0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.323 -19.597 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.832 -19.228 1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.824 -20.434 0.551 1.00 0.00 H new ATOM 479 N SER A 30 5.934 -15.162 -4.552 1.00 0.00 N ATOM 480 CA SER A 30 5.457 -15.452 -5.894 1.00 0.00 C ATOM 481 C SER A 30 6.189 -14.584 -6.916 1.00 0.00 C ATOM 482 O SER A 30 6.519 -15.048 -8.011 1.00 0.00 O ATOM 483 CB SER A 30 3.934 -15.246 -6.001 1.00 0.00 C ATOM 484 OG SER A 30 3.433 -15.761 -7.221 1.00 0.00 O ATOM 0 H SER A 30 5.248 -14.709 -3.948 1.00 0.00 H new ATOM 0 HA SER A 30 5.668 -16.500 -6.109 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.438 -15.738 -5.164 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.702 -14.183 -5.929 1.00 0.00 H new ATOM 0 HG SER A 30 2.464 -15.619 -7.263 1.00 0.00 H new ATOM 490 N GLU A 31 6.454 -13.329 -6.545 1.00 0.00 N ATOM 491 CA GLU A 31 7.171 -12.414 -7.421 1.00 0.00 C ATOM 492 C GLU A 31 8.639 -12.802 -7.498 1.00 0.00 C ATOM 493 O GLU A 31 9.178 -13.046 -8.581 1.00 0.00 O ATOM 494 CB GLU A 31 7.066 -10.967 -6.926 1.00 0.00 C ATOM 495 CG GLU A 31 5.655 -10.416 -6.857 1.00 0.00 C ATOM 496 CD GLU A 31 5.646 -8.914 -6.659 1.00 0.00 C ATOM 497 OE1 GLU A 31 5.784 -8.449 -5.508 1.00 0.00 O ATOM 498 OE2 GLU A 31 5.513 -8.183 -7.662 1.00 0.00 O ATOM 0 H GLU A 31 6.182 -12.929 -5.647 1.00 0.00 H new ATOM 0 HA GLU A 31 6.714 -12.482 -8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.514 -10.904 -5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.657 -10.330 -7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.123 -10.665 -7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.118 -10.894 -6.038 1.00 0.00 H new ATOM 505 N ARG A 32 9.281 -12.861 -6.343 1.00 0.00 N ATOM 506 CA ARG A 32 10.690 -13.189 -6.262 1.00 0.00 C ATOM 507 C ARG A 32 10.962 -14.077 -5.058 1.00 0.00 C ATOM 508 O ARG A 32 10.845 -13.635 -3.911 1.00 0.00 O ATOM 509 CB ARG A 32 11.534 -11.910 -6.160 1.00 0.00 C ATOM 510 CG ARG A 32 11.566 -11.071 -7.429 1.00 0.00 C ATOM 511 CD ARG A 32 12.247 -9.732 -7.192 1.00 0.00 C ATOM 512 NE ARG A 32 13.608 -9.884 -6.665 1.00 0.00 N ATOM 513 CZ ARG A 32 14.195 -9.016 -5.833 1.00 0.00 C ATOM 514 NH1 ARG A 32 13.561 -7.906 -5.465 1.00 0.00 N ATOM 515 NH2 ARG A 32 15.422 -9.254 -5.382 1.00 0.00 N ATOM 0 H ARG A 32 8.840 -12.683 -5.440 1.00 0.00 H new ATOM 0 HA ARG A 32 10.966 -13.726 -7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.147 -11.298 -5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.555 -12.184 -5.895 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.092 -11.615 -8.213 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.549 -10.906 -7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.283 -9.174 -8.128 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.653 -9.144 -6.493 1.00 0.00 H new ATOM 0 HE ARG A 32 14.141 -10.705 -6.952 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.623 -7.714 -5.817 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.013 -7.247 -4.831 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.916 -10.098 -5.670 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.870 -8.592 -4.748 1.00 0.00 H new ATOM 529 N HIS A 33 11.332 -15.323 -5.317 1.00 0.00 N ATOM 530 CA HIS A 33 11.655 -16.271 -4.249 1.00 0.00 C ATOM 531 C HIS A 33 12.884 -15.799 -3.488 1.00 0.00 C ATOM 532 O HIS A 33 13.045 -16.075 -2.298 1.00 0.00 O ATOM 533 CB HIS A 33 11.895 -17.673 -4.816 1.00 0.00 C ATOM 534 CG HIS A 33 10.666 -18.321 -5.375 1.00 0.00 C ATOM 535 ND1 HIS A 33 10.295 -18.222 -6.698 1.00 0.00 N ATOM 536 CD2 HIS A 33 9.721 -19.087 -4.780 1.00 0.00 C ATOM 537 CE1 HIS A 33 9.174 -18.899 -6.892 1.00 0.00 C ATOM 538 NE2 HIS A 33 8.809 -19.431 -5.746 1.00 0.00 N ATOM 0 H HIS A 33 11.417 -15.706 -6.258 1.00 0.00 H new ATOM 0 HA HIS A 33 10.807 -16.319 -3.566 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.650 -17.613 -5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.302 -18.308 -4.029 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.691 -19.374 -3.739 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.649 -18.998 -7.831 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.980 -20.007 -5.599 1.00 0.00 H new ATOM 546 N ASP A 34 13.741 -15.081 -4.195 1.00 0.00 N ATOM 547 CA ASP A 34 14.952 -14.501 -3.613 1.00 0.00 C ATOM 548 C ASP A 34 14.575 -13.462 -2.563 1.00 0.00 C ATOM 549 O ASP A 34 15.099 -13.466 -1.444 1.00 0.00 O ATOM 550 CB ASP A 34 15.815 -13.853 -4.717 1.00 0.00 C ATOM 551 CG ASP A 34 17.034 -13.139 -4.184 1.00 0.00 C ATOM 552 OD1 ASP A 34 18.119 -13.749 -4.168 1.00 0.00 O ATOM 553 OD2 ASP A 34 16.921 -11.952 -3.808 1.00 0.00 O ATOM 0 H ASP A 34 13.622 -14.881 -5.188 1.00 0.00 H new ATOM 0 HA ASP A 34 15.531 -15.292 -3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.133 -14.624 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.204 -13.145 -5.277 1.00 0.00 H new ATOM 558 N HIS A 35 13.656 -12.582 -2.941 1.00 0.00 N ATOM 559 CA HIS A 35 13.155 -11.523 -2.055 1.00 0.00 C ATOM 560 C HIS A 35 12.497 -12.128 -0.812 1.00 0.00 C ATOM 561 O HIS A 35 12.677 -11.632 0.296 1.00 0.00 O ATOM 562 CB HIS A 35 12.150 -10.626 -2.824 1.00 0.00 C ATOM 563 CG HIS A 35 11.687 -9.407 -2.082 1.00 0.00 C ATOM 564 ND1 HIS A 35 12.538 -8.405 -1.675 1.00 0.00 N ATOM 565 CD2 HIS A 35 10.445 -9.015 -1.708 1.00 0.00 C ATOM 566 CE1 HIS A 35 11.839 -7.450 -1.083 1.00 0.00 C ATOM 567 NE2 HIS A 35 10.569 -7.795 -1.092 1.00 0.00 N ATOM 0 H HIS A 35 13.233 -12.577 -3.869 1.00 0.00 H new ATOM 0 HA HIS A 35 13.995 -10.910 -1.728 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.612 -10.309 -3.759 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.278 -11.226 -3.086 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.527 -9.562 -1.866 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.243 -6.541 -0.663 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.802 -7.245 -0.704 1.00 0.00 H new ATOM 575 N ASP A 36 11.764 -13.218 -1.022 1.00 0.00 N ATOM 576 CA ASP A 36 11.043 -13.927 0.064 1.00 0.00 C ATOM 577 C ASP A 36 11.935 -14.239 1.266 1.00 0.00 C ATOM 578 O ASP A 36 11.593 -13.903 2.392 1.00 0.00 O ATOM 579 CB ASP A 36 10.415 -15.229 -0.455 1.00 0.00 C ATOM 580 CG ASP A 36 9.958 -16.145 0.664 1.00 0.00 C ATOM 581 OD1 ASP A 36 8.900 -15.885 1.257 1.00 0.00 O ATOM 582 OD2 ASP A 36 10.660 -17.143 0.937 1.00 0.00 O ATOM 0 H ASP A 36 11.645 -13.644 -1.941 1.00 0.00 H new ATOM 0 HA ASP A 36 10.260 -13.247 0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.564 -14.988 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.140 -15.755 -1.076 1.00 0.00 H new ATOM 587 N LYS A 37 13.078 -14.875 1.013 1.00 0.00 N ATOM 588 CA LYS A 37 14.007 -15.281 2.090 1.00 0.00 C ATOM 589 C LYS A 37 14.317 -14.130 3.055 1.00 0.00 C ATOM 590 O LYS A 37 14.200 -14.275 4.273 1.00 0.00 O ATOM 591 CB LYS A 37 15.323 -15.835 1.507 1.00 0.00 C ATOM 592 CG LYS A 37 16.388 -16.119 2.558 1.00 0.00 C ATOM 593 CD LYS A 37 17.680 -16.601 1.928 1.00 0.00 C ATOM 594 CE LYS A 37 18.792 -16.702 2.960 1.00 0.00 C ATOM 595 NZ LYS A 37 20.050 -17.217 2.371 1.00 0.00 N ATOM 0 H LYS A 37 13.391 -15.124 0.075 1.00 0.00 H new ATOM 0 HA LYS A 37 13.503 -16.067 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.110 -16.754 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.719 -15.121 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.580 -15.215 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.020 -16.871 3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.521 -17.575 1.465 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.978 -15.916 1.134 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.972 -15.720 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.476 -17.358 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.782 -17.270 3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.886 -18.165 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 20.366 -16.577 1.614 1.00 0.00 H new ATOM 609 N LYS A 38 14.684 -12.990 2.497 1.00 0.00 N ATOM 610 CA LYS A 38 15.065 -11.821 3.296 1.00 0.00 C ATOM 611 C LYS A 38 13.858 -11.169 3.966 1.00 0.00 C ATOM 612 O LYS A 38 13.999 -10.439 4.946 1.00 0.00 O ATOM 613 CB LYS A 38 15.820 -10.812 2.424 1.00 0.00 C ATOM 614 CG LYS A 38 17.188 -11.314 1.979 1.00 0.00 C ATOM 615 CD LYS A 38 17.703 -10.579 0.754 1.00 0.00 C ATOM 616 CE LYS A 38 16.942 -10.992 -0.495 1.00 0.00 C ATOM 617 NZ LYS A 38 17.563 -10.458 -1.729 1.00 0.00 N ATOM 0 H LYS A 38 14.729 -12.841 1.489 1.00 0.00 H new ATOM 0 HA LYS A 38 15.724 -12.162 4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.220 -10.581 1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.943 -9.882 2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.899 -11.195 2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 38 17.128 -12.380 1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.605 -9.504 0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 38 18.765 -10.787 0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.902 -12.080 -0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.913 -10.639 -0.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.021 -10.778 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.563 -9.419 -1.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 18.542 -10.802 -1.802 1.00 0.00 H new ATOM 631 N GLU A 39 12.682 -11.449 3.449 1.00 0.00 N ATOM 632 CA GLU A 39 11.459 -10.895 4.007 1.00 0.00 C ATOM 633 C GLU A 39 10.915 -11.786 5.116 1.00 0.00 C ATOM 634 O GLU A 39 10.465 -11.300 6.152 1.00 0.00 O ATOM 635 CB GLU A 39 10.400 -10.705 2.918 1.00 0.00 C ATOM 636 CG GLU A 39 10.790 -9.697 1.853 1.00 0.00 C ATOM 637 CD GLU A 39 11.077 -8.331 2.428 1.00 0.00 C ATOM 638 OE1 GLU A 39 10.122 -7.648 2.854 1.00 0.00 O ATOM 639 OE2 GLU A 39 12.256 -7.931 2.466 1.00 0.00 O ATOM 0 H GLU A 39 12.542 -12.057 2.642 1.00 0.00 H new ATOM 0 HA GLU A 39 11.700 -9.920 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.206 -11.666 2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.467 -10.386 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.671 -10.057 1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.987 -9.618 1.120 1.00 0.00 H new ATOM 646 N ALA A 40 10.974 -13.088 4.891 1.00 0.00 N ATOM 647 CA ALA A 40 10.450 -14.074 5.838 1.00 0.00 C ATOM 648 C ALA A 40 11.198 -14.063 7.167 1.00 0.00 C ATOM 649 O ALA A 40 10.582 -14.066 8.229 1.00 0.00 O ATOM 650 CB ALA A 40 10.472 -15.477 5.234 1.00 0.00 C ATOM 0 H ALA A 40 11.384 -13.496 4.051 1.00 0.00 H new ATOM 0 HA ALA A 40 9.418 -13.790 6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.078 -16.191 5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.857 -15.495 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.497 -15.747 4.979 1.00 0.00 H new ATOM 656 N GLU A 41 12.520 -14.044 7.113 1.00 0.00 N ATOM 657 CA GLU A 41 13.321 -14.077 8.336 1.00 0.00 C ATOM 658 C GLU A 41 13.241 -12.758 9.098 1.00 0.00 C ATOM 659 O GLU A 41 13.240 -12.742 10.328 1.00 0.00 O ATOM 660 CB GLU A 41 14.776 -14.437 8.035 1.00 0.00 C ATOM 661 CG GLU A 41 15.456 -13.517 7.040 1.00 0.00 C ATOM 662 CD GLU A 41 16.912 -13.853 6.855 1.00 0.00 C ATOM 663 OE1 GLU A 41 17.214 -14.929 6.300 1.00 0.00 O ATOM 664 OE2 GLU A 41 17.765 -13.048 7.265 1.00 0.00 O ATOM 0 H GLU A 41 13.060 -14.006 6.249 1.00 0.00 H new ATOM 0 HA GLU A 41 12.901 -14.855 8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.341 -14.425 8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.814 -15.457 7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.945 -13.583 6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.364 -12.486 7.380 1.00 0.00 H new ATOM 671 N ARG A 42 13.161 -11.657 8.368 1.00 0.00 N ATOM 672 CA ARG A 42 13.085 -10.339 8.994 1.00 0.00 C ATOM 673 C ARG A 42 11.676 -10.092 9.522 1.00 0.00 C ATOM 674 O ARG A 42 11.472 -9.283 10.427 1.00 0.00 O ATOM 675 CB ARG A 42 13.476 -9.239 8.004 1.00 0.00 C ATOM 676 CG ARG A 42 13.702 -7.882 8.647 1.00 0.00 C ATOM 677 CD ARG A 42 13.804 -6.797 7.596 1.00 0.00 C ATOM 678 NE ARG A 42 12.522 -6.584 6.925 1.00 0.00 N ATOM 679 CZ ARG A 42 12.266 -6.870 5.653 1.00 0.00 C ATOM 680 NH1 ARG A 42 13.210 -7.379 4.869 1.00 0.00 N ATOM 681 NH2 ARG A 42 11.057 -6.644 5.164 1.00 0.00 N ATOM 0 H ARG A 42 13.147 -11.645 7.348 1.00 0.00 H new ATOM 0 HA ARG A 42 13.789 -10.315 9.826 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.386 -9.539 7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 42 12.693 -9.147 7.251 1.00 0.00 H new ATOM 0 HG2 ARG A 42 12.882 -7.657 9.329 1.00 0.00 H new ATOM 0 HG3 ARG A 42 14.615 -7.904 9.242 1.00 0.00 H new ATOM 0 HD2 ARG A 42 14.132 -5.867 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 42 14.561 -7.070 6.861 1.00 0.00 H new ATOM 0 HE ARG A 42 11.764 -6.184 7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 42 14.143 -7.554 5.242 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.002 -7.595 3.894 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.330 -6.253 5.763 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.853 -6.861 4.188 1.00 0.00 H new ATOM 695 N LYS A 43 10.713 -10.810 8.946 1.00 0.00 N ATOM 696 CA LYS A 43 9.301 -10.723 9.348 1.00 0.00 C ATOM 697 C LYS A 43 9.158 -10.888 10.853 1.00 0.00 C ATOM 698 O LYS A 43 8.499 -10.089 11.513 1.00 0.00 O ATOM 699 CB LYS A 43 8.469 -11.801 8.616 1.00 0.00 C ATOM 700 CG LYS A 43 7.028 -11.934 9.091 1.00 0.00 C ATOM 701 CD LYS A 43 6.324 -13.068 8.357 1.00 0.00 C ATOM 702 CE LYS A 43 4.927 -13.324 8.907 1.00 0.00 C ATOM 703 NZ LYS A 43 4.955 -13.750 10.328 1.00 0.00 N ATOM 0 H LYS A 43 10.885 -11.470 8.187 1.00 0.00 H new ATOM 0 HA LYS A 43 8.927 -9.737 9.071 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.465 -11.574 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.965 -12.764 8.735 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.009 -12.121 10.165 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.496 -10.998 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.257 -12.827 7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.919 -13.978 8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.329 -12.417 8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.438 -14.092 8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.992 -13.995 10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.572 -14.581 10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.320 -12.974 10.916 1.00 0.00 H new ATOM 717 N ALA A 44 9.799 -11.914 11.389 1.00 0.00 N ATOM 718 CA ALA A 44 9.728 -12.199 12.821 1.00 0.00 C ATOM 719 C ALA A 44 10.340 -11.077 13.652 1.00 0.00 C ATOM 720 O ALA A 44 9.872 -10.782 14.756 1.00 0.00 O ATOM 721 CB ALA A 44 10.402 -13.531 13.151 1.00 0.00 C ATOM 0 H ALA A 44 10.376 -12.566 10.857 1.00 0.00 H new ATOM 0 HA ALA A 44 8.672 -12.270 13.080 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.334 -13.717 14.223 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.903 -14.335 12.611 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.450 -13.491 12.855 1.00 0.00 H new ATOM 727 N LEU A 45 11.356 -10.436 13.108 1.00 0.00 N ATOM 728 CA LEU A 45 12.066 -9.385 13.820 1.00 0.00 C ATOM 729 C LEU A 45 11.279 -8.078 13.823 1.00 0.00 C ATOM 730 O LEU A 45 11.425 -7.260 14.722 1.00 0.00 O ATOM 731 CB LEU A 45 13.455 -9.169 13.213 1.00 0.00 C ATOM 732 CG LEU A 45 14.377 -10.394 13.204 1.00 0.00 C ATOM 733 CD1 LEU A 45 15.682 -10.077 12.494 1.00 0.00 C ATOM 734 CD2 LEU A 45 14.647 -10.876 14.624 1.00 0.00 C ATOM 0 H LEU A 45 11.712 -10.624 12.171 1.00 0.00 H new ATOM 0 HA LEU A 45 12.179 -9.707 14.855 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.332 -8.822 12.187 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.951 -8.369 13.763 1.00 0.00 H new ATOM 0 HG LEU A 45 13.874 -11.193 12.660 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.322 -10.959 12.498 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.474 -9.784 11.465 1.00 0.00 H new ATOM 0 HD13 LEU A 45 16.187 -9.260 13.009 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.303 -11.746 14.594 1.00 0.00 H new ATOM 0 HD22 LEU A 45 15.126 -10.080 15.194 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.705 -11.148 15.101 1.00 0.00 H new ATOM 746 N GLU A 46 10.446 -7.887 12.820 1.00 0.00 N ATOM 747 CA GLU A 46 9.639 -6.679 12.741 1.00 0.00 C ATOM 748 C GLU A 46 8.272 -6.907 13.360 1.00 0.00 C ATOM 749 O GLU A 46 7.471 -5.977 13.489 1.00 0.00 O ATOM 750 CB GLU A 46 9.479 -6.220 11.293 1.00 0.00 C ATOM 751 CG GLU A 46 10.790 -5.945 10.587 1.00 0.00 C ATOM 752 CD GLU A 46 10.600 -5.240 9.267 1.00 0.00 C ATOM 753 OE1 GLU A 46 10.320 -5.910 8.256 1.00 0.00 O ATOM 754 OE2 GLU A 46 10.743 -4.006 9.230 1.00 0.00 O ATOM 0 H GLU A 46 10.308 -8.545 12.053 1.00 0.00 H new ATOM 0 HA GLU A 46 10.156 -5.898 13.299 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.933 -6.983 10.739 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.871 -5.316 11.274 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.425 -5.337 11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.313 -6.887 10.420 1.00 0.00 H new ATOM 761 N ASP A 47 8.009 -8.138 13.749 1.00 0.00 N ATOM 762 CA ASP A 47 6.712 -8.493 14.300 1.00 0.00 C ATOM 763 C ASP A 47 6.766 -8.689 15.807 1.00 0.00 C ATOM 764 O ASP A 47 6.131 -7.943 16.557 1.00 0.00 O ATOM 765 CB ASP A 47 6.161 -9.754 13.624 1.00 0.00 C ATOM 766 CG ASP A 47 4.737 -10.077 14.044 1.00 0.00 C ATOM 767 OD1 ASP A 47 4.542 -10.626 15.138 1.00 0.00 O ATOM 768 OD2 ASP A 47 3.807 -9.796 13.261 1.00 0.00 O ATOM 0 H ASP A 47 8.673 -8.910 13.695 1.00 0.00 H new ATOM 0 HA ASP A 47 6.041 -7.658 14.098 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.195 -9.624 12.542 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.806 -10.600 13.864 1.00 0.00 H new ATOM 773 N LYS A 48 7.561 -9.656 16.263 1.00 0.00 N ATOM 774 CA LYS A 48 7.569 -9.996 17.690 1.00 0.00 C ATOM 775 C LYS A 48 8.433 -9.041 18.513 1.00 0.00 C ATOM 776 O LYS A 48 8.597 -9.211 19.718 1.00 0.00 O ATOM 777 CB LYS A 48 7.980 -11.461 17.929 1.00 0.00 C ATOM 778 CG LYS A 48 7.535 -11.998 19.284 1.00 0.00 C ATOM 779 CD LYS A 48 6.013 -11.999 19.402 1.00 0.00 C ATOM 780 CE LYS A 48 5.561 -12.146 20.837 1.00 0.00 C ATOM 781 NZ LYS A 48 4.087 -12.045 20.959 1.00 0.00 N ATOM 0 H LYS A 48 8.194 -10.207 15.684 1.00 0.00 H new ATOM 0 HA LYS A 48 6.542 -9.879 18.037 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.555 -12.084 17.142 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.064 -11.544 17.851 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.914 -13.011 19.419 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.964 -11.388 20.079 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.616 -11.072 18.989 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.603 -12.815 18.806 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.894 -13.108 21.227 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.031 -11.375 21.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.840 -11.696 21.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.724 -11.385 20.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.662 -12.983 20.814 1.00 0.00 H new ATOM 795 N LEU A 49 8.973 -8.039 17.870 1.00 0.00 N ATOM 796 CA LEU A 49 9.738 -7.029 18.588 1.00 0.00 C ATOM 797 C LEU A 49 8.831 -5.890 19.003 1.00 0.00 C ATOM 798 O LEU A 49 9.240 -4.985 19.729 1.00 0.00 O ATOM 799 CB LEU A 49 10.941 -6.509 17.775 1.00 0.00 C ATOM 800 CG LEU A 49 12.252 -7.312 17.910 1.00 0.00 C ATOM 801 CD1 LEU A 49 12.805 -7.205 19.323 1.00 0.00 C ATOM 802 CD2 LEU A 49 12.042 -8.774 17.535 1.00 0.00 C ATOM 0 H LEU A 49 8.904 -7.893 16.863 1.00 0.00 H new ATOM 0 HA LEU A 49 10.150 -7.502 19.480 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.659 -6.487 16.722 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.137 -5.479 18.074 1.00 0.00 H new ATOM 0 HG LEU A 49 12.977 -6.883 17.218 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.729 -7.778 19.396 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.007 -6.160 19.557 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.076 -7.600 20.030 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.982 -9.315 17.640 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.294 -9.215 18.194 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.699 -8.839 16.502 1.00 0.00 H new ATOM 814 N ALA A 50 7.587 -5.944 18.546 1.00 0.00 N ATOM 815 CA ALA A 50 6.609 -4.930 18.877 1.00 0.00 C ATOM 816 C ALA A 50 5.656 -5.423 19.965 1.00 0.00 C ATOM 817 O ALA A 50 5.558 -4.819 21.033 1.00 0.00 O ATOM 818 CB ALA A 50 5.832 -4.522 17.636 1.00 0.00 C ATOM 0 H ALA A 50 7.235 -6.686 17.942 1.00 0.00 H new ATOM 0 HA ALA A 50 7.139 -4.059 19.262 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.100 -3.759 17.900 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.520 -4.123 16.891 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.318 -5.392 17.226 1.00 0.00 H new ATOM 824 N ASP A 51 4.962 -6.522 19.693 1.00 0.00 N ATOM 825 CA ASP A 51 4.000 -7.070 20.649 1.00 0.00 C ATOM 826 C ASP A 51 4.600 -8.213 21.443 1.00 0.00 C ATOM 827 O ASP A 51 5.509 -8.905 20.978 1.00 0.00 O ATOM 828 CB ASP A 51 2.729 -7.560 19.940 1.00 0.00 C ATOM 829 CG ASP A 51 2.957 -8.817 19.117 1.00 0.00 C ATOM 830 OD1 ASP A 51 3.249 -8.690 17.917 1.00 0.00 O ATOM 831 OD2 ASP A 51 2.824 -9.942 19.669 1.00 0.00 O ATOM 0 H ASP A 51 5.045 -7.050 18.824 1.00 0.00 H new ATOM 0 HA ASP A 51 3.739 -6.262 21.333 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.956 -7.754 20.684 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.354 -6.769 19.290 1.00 0.00 H new ATOM 836 N TYR A 52 4.096 -8.397 22.642 1.00 0.00 N ATOM 837 CA TYR A 52 4.526 -9.477 23.497 1.00 0.00 C ATOM 838 C TYR A 52 3.349 -10.382 23.845 1.00 0.00 C ATOM 839 O TYR A 52 3.397 -11.578 23.494 1.00 0.00 O ATOM 840 CB TYR A 52 5.230 -8.942 24.762 1.00 0.00 C ATOM 841 CG TYR A 52 4.464 -7.868 25.515 1.00 0.00 C ATOM 842 CD1 TYR A 52 3.671 -8.191 26.605 1.00 0.00 C ATOM 843 CD2 TYR A 52 4.542 -6.532 25.133 1.00 0.00 C ATOM 844 CE1 TYR A 52 2.976 -7.220 27.292 1.00 0.00 C ATOM 845 CE2 TYR A 52 3.849 -5.554 25.818 1.00 0.00 C ATOM 846 CZ TYR A 52 3.068 -5.904 26.896 1.00 0.00 C ATOM 847 OH TYR A 52 2.374 -4.934 27.586 1.00 0.00 O ATOM 848 OXT TYR A 52 2.361 -9.888 24.414 1.00 0.00 O ATOM 0 H TYR A 52 3.376 -7.801 23.051 1.00 0.00 H new ATOM 0 HA TYR A 52 5.258 -10.075 22.954 1.00 0.00 H new ATOM 0 HB2 TYR A 52 5.415 -9.777 25.438 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.203 -8.541 24.477 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.597 -9.221 26.921 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.154 -6.256 24.287 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.361 -7.490 28.138 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.919 -4.521 25.510 1.00 0.00 H new ATOM 0 HH TYR A 52 2.546 -4.058 27.181 1.00 0.00 H new TER 858 TYR A 52