USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 578 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 Set 1.1: A 60 GLN : amide:sc= -1.18 X(o=-1.5,f=-1.7) USER MOD Set 1.2: A 67 GLN : amide:sc= -0.361 X(o=-1.5,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -117:sc= 0 (180deg=-0.418) USER MOD Single : A 7 THR OG1 : rot 115:sc= 0.592 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00623 USER MOD Single : A 17 LYS NZ :NH3+ -125:sc= -0.123 (180deg=-0.881) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= -0.0351 (180deg=-0.252) USER MOD Single : A 28 HIS : no HD1:sc= -2.58 K(o=-2.6,f=-3.6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.19) USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= -0.0176 (180deg=-0.232) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 38 HIS : no HD1:sc= -0.0367 X(o=-0.037,f=-0.18) USER MOD Single : A 58 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.71) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 54:sc= 0.13 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 0.00 C ATOM 3 C MET A 1 1.754 -1.224 -2.088 1.00 0.00 C ATOM 4 O MET A 1 2.186 -2.337 -1.787 1.00 0.00 O ATOM 5 CB MET A 1 3.593 0.028 -0.944 1.00 0.00 C ATOM 6 CG MET A 1 4.135 1.425 -0.686 1.00 0.00 C ATOM 7 SD MET A 1 5.879 1.420 -0.230 1.00 0.00 S ATOM 8 CE MET A 1 6.641 1.815 -1.802 1.00 0.00 C ATOM 0 H1 MET A 1 1.576 0.841 0.559 1.00 0.00 H new ATOM 0 H2 MET A 1 0.312 0.016 -0.218 1.00 0.00 H new ATOM 0 H3 MET A 1 1.553 -0.856 0.546 1.00 0.00 H new ATOM 0 HA MET A 1 1.825 0.893 -1.804 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.794 -0.597 -0.074 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.131 -0.412 -1.784 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.999 2.034 -1.580 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.557 1.894 0.110 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.724 1.849 -1.683 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.380 1.052 -2.535 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.283 2.785 -2.146 1.00 0.00 H new ATOM 18 N ASP A 2 0.979 -1.010 -3.146 1.00 0.00 N ATOM 19 CA ASP A 2 0.583 -2.096 -4.035 1.00 0.00 C ATOM 20 C ASP A 2 1.274 -1.968 -5.390 1.00 0.00 C ATOM 21 O ASP A 2 1.176 -0.935 -6.052 1.00 0.00 O ATOM 22 CB ASP A 2 -0.935 -2.104 -4.221 1.00 0.00 C ATOM 23 CG ASP A 2 -1.646 -2.895 -3.142 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.579 -4.142 -3.179 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.272 -2.269 -2.261 1.00 0.00 O ATOM 0 H ASP A 2 0.613 -0.095 -3.409 1.00 0.00 H new ATOM 0 HA ASP A 2 0.890 -3.037 -3.578 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.304 -1.078 -4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.176 -2.527 -5.196 1.00 0.00 H new ATOM 30 N ARG A 3 1.972 -3.024 -5.794 1.00 0.00 N ATOM 31 CA ARG A 3 2.681 -3.029 -7.068 1.00 0.00 C ATOM 32 C ARG A 3 2.724 -4.434 -7.661 1.00 0.00 C ATOM 33 O ARG A 3 2.972 -5.410 -6.953 1.00 0.00 O ATOM 34 CB ARG A 3 4.104 -2.497 -6.886 1.00 0.00 C ATOM 35 CG ARG A 3 4.818 -3.070 -5.674 1.00 0.00 C ATOM 36 CD ARG A 3 6.321 -2.855 -5.759 1.00 0.00 C ATOM 37 NE ARG A 3 7.061 -3.843 -4.979 1.00 0.00 N ATOM 38 CZ ARG A 3 8.371 -3.781 -4.767 1.00 0.00 C ATOM 39 NH1 ARG A 3 9.081 -2.782 -5.274 1.00 0.00 N ATOM 40 NH2 ARG A 3 8.973 -4.718 -4.046 1.00 0.00 N ATOM 0 H ARG A 3 2.062 -3.887 -5.258 1.00 0.00 H new ATOM 0 HA ARG A 3 2.142 -2.379 -7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.685 -2.724 -7.780 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.068 -1.411 -6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.433 -2.601 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 3 4.606 -4.136 -5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.636 -2.906 -6.801 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.565 -1.855 -5.401 1.00 0.00 H new ATOM 0 HE ARG A 3 6.544 -4.624 -4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.621 -2.059 -5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.087 -2.736 -5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.430 -5.487 -3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.979 -4.669 -3.884 1.00 0.00 H new ATOM 54 N ILE A 4 2.480 -4.528 -8.964 1.00 0.00 N ATOM 55 CA ILE A 4 2.492 -5.813 -9.652 1.00 0.00 C ATOM 56 C ILE A 4 3.424 -5.783 -10.858 1.00 0.00 C ATOM 57 O ILE A 4 3.273 -4.950 -11.752 1.00 0.00 O ATOM 58 CB ILE A 4 1.080 -6.215 -10.118 1.00 0.00 C ATOM 59 CG1 ILE A 4 0.124 -6.278 -8.925 1.00 0.00 C ATOM 60 CG2 ILE A 4 1.122 -7.553 -10.841 1.00 0.00 C ATOM 61 CD1 ILE A 4 -1.323 -6.480 -9.320 1.00 0.00 C ATOM 0 H ILE A 4 2.272 -3.730 -9.564 1.00 0.00 H new ATOM 0 HA ILE A 4 2.853 -6.551 -8.936 1.00 0.00 H new ATOM 0 HB ILE A 4 0.714 -5.459 -10.813 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.430 -7.092 -8.267 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.210 -5.355 -8.351 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.117 -7.824 -11.164 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.775 -7.476 -11.711 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.505 -8.319 -10.167 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.943 -6.515 -8.424 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.646 -5.654 -9.953 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.423 -7.417 -9.868 1.00 0.00 H new ATOM 73 N PHE A 5 4.387 -6.698 -10.877 1.00 0.00 N ATOM 74 CA PHE A 5 5.344 -6.777 -11.975 1.00 0.00 C ATOM 75 C PHE A 5 5.057 -7.986 -12.860 1.00 0.00 C ATOM 76 O PHE A 5 4.988 -9.118 -12.381 1.00 0.00 O ATOM 77 CB PHE A 5 6.772 -6.858 -11.430 1.00 0.00 C ATOM 78 CG PHE A 5 6.940 -7.874 -10.337 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.736 -7.526 -9.012 1.00 0.00 C ATOM 80 CD2 PHE A 5 7.302 -9.178 -10.635 1.00 0.00 C ATOM 81 CE1 PHE A 5 6.891 -8.459 -8.004 1.00 0.00 C ATOM 82 CE2 PHE A 5 7.458 -10.116 -9.632 1.00 0.00 C ATOM 83 CZ PHE A 5 7.251 -9.756 -8.315 1.00 0.00 C ATOM 0 H PHE A 5 4.526 -7.395 -10.145 1.00 0.00 H new ATOM 0 HA PHE A 5 5.243 -5.875 -12.578 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.451 -7.100 -12.248 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.064 -5.878 -11.052 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.453 -6.514 -8.764 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.464 -9.465 -11.664 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.731 -8.174 -6.975 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.741 -11.129 -9.878 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.370 -10.487 -7.529 1.00 0.00 H new ATOM 93 N MET A 6 4.891 -7.738 -14.155 1.00 0.00 N ATOM 94 CA MET A 6 4.612 -8.805 -15.109 1.00 0.00 C ATOM 95 C MET A 6 5.366 -8.579 -16.415 1.00 0.00 C ATOM 96 O MET A 6 5.719 -7.448 -16.752 1.00 0.00 O ATOM 97 CB MET A 6 3.109 -8.894 -15.382 1.00 0.00 C ATOM 98 CG MET A 6 2.362 -9.771 -14.391 1.00 0.00 C ATOM 99 SD MET A 6 0.575 -9.714 -14.623 1.00 0.00 S ATOM 100 CE MET A 6 0.008 -10.365 -13.054 1.00 0.00 C ATOM 0 H MET A 6 4.945 -6.807 -14.568 1.00 0.00 H new ATOM 0 HA MET A 6 4.951 -9.745 -14.674 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.684 -7.891 -15.359 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.953 -9.283 -16.388 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.705 -10.801 -14.492 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.603 -9.453 -13.377 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.532 -11.297 -13.221 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.865 -10.552 -12.407 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.655 -9.642 -12.578 1.00 0.00 H new ATOM 110 N THR A 7 5.611 -9.661 -17.148 1.00 0.00 N ATOM 111 CA THR A 7 6.324 -9.580 -18.416 1.00 0.00 C ATOM 112 C THR A 7 5.410 -9.085 -19.531 1.00 0.00 C ATOM 113 O THR A 7 4.224 -8.837 -19.310 1.00 0.00 O ATOM 114 CB THR A 7 6.912 -10.946 -18.818 1.00 0.00 C ATOM 115 OG1 THR A 7 6.260 -11.993 -18.091 1.00 0.00 O ATOM 116 CG2 THR A 7 8.409 -10.991 -18.549 1.00 0.00 C ATOM 0 H THR A 7 5.326 -10.604 -16.884 1.00 0.00 H new ATOM 0 HA THR A 7 7.138 -8.869 -18.275 1.00 0.00 H new ATOM 0 HB THR A 7 6.746 -11.088 -19.886 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.768 -12.567 -18.715 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.802 -11.965 -18.841 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.906 -10.211 -19.126 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.593 -10.829 -17.487 1.00 0.00 H new ATOM 124 N ARG A 8 5.968 -8.944 -20.728 1.00 0.00 N ATOM 125 CA ARG A 8 5.202 -8.479 -21.878 1.00 0.00 C ATOM 126 C ARG A 8 3.928 -9.301 -22.052 1.00 0.00 C ATOM 127 O ARG A 8 2.832 -8.752 -22.164 1.00 0.00 O ATOM 128 CB ARG A 8 6.050 -8.557 -23.149 1.00 0.00 C ATOM 129 CG ARG A 8 7.354 -7.781 -23.059 1.00 0.00 C ATOM 130 CD ARG A 8 8.411 -8.360 -23.986 1.00 0.00 C ATOM 131 NE ARG A 8 9.176 -9.426 -23.345 1.00 0.00 N ATOM 132 CZ ARG A 8 10.337 -9.877 -23.806 1.00 0.00 C ATOM 133 NH1 ARG A 8 10.866 -9.356 -24.904 1.00 0.00 N ATOM 134 NH2 ARG A 8 10.973 -10.851 -23.167 1.00 0.00 N ATOM 0 H ARG A 8 6.948 -9.145 -20.927 1.00 0.00 H new ATOM 0 HA ARG A 8 4.922 -7.441 -21.700 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.273 -9.602 -23.363 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.468 -8.177 -23.988 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.176 -6.737 -23.316 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.719 -7.799 -22.032 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.932 -8.748 -24.885 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.089 -7.567 -24.303 1.00 0.00 H new ATOM 0 HE ARG A 8 8.798 -9.847 -22.497 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.381 -8.606 -25.398 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.758 -9.705 -25.255 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.570 -11.254 -22.321 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.865 -11.197 -23.522 1.00 0.00 H new ATOM 148 N THR A 9 4.081 -10.622 -22.075 1.00 0.00 N ATOM 149 CA THR A 9 2.945 -11.520 -22.237 1.00 0.00 C ATOM 150 C THR A 9 2.005 -11.439 -21.040 1.00 0.00 C ATOM 151 O THR A 9 0.794 -11.292 -21.200 1.00 0.00 O ATOM 152 CB THR A 9 3.404 -12.979 -22.417 1.00 0.00 C ATOM 153 OG1 THR A 9 4.603 -13.023 -23.199 1.00 0.00 O ATOM 154 CG2 THR A 9 2.322 -13.807 -23.093 1.00 0.00 C ATOM 0 H THR A 9 4.981 -11.093 -21.983 1.00 0.00 H new ATOM 0 HA THR A 9 2.415 -11.200 -23.134 1.00 0.00 H new ATOM 0 HB THR A 9 3.599 -13.399 -21.430 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.889 -13.954 -23.307 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.669 -14.834 -23.209 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.420 -13.796 -22.481 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.101 -13.385 -24.074 1.00 0.00 H new ATOM 162 N GLU A 10 2.571 -11.535 -19.841 1.00 0.00 N ATOM 163 CA GLU A 10 1.781 -11.473 -18.617 1.00 0.00 C ATOM 164 C GLU A 10 1.043 -10.141 -18.513 1.00 0.00 C ATOM 165 O GLU A 10 0.066 -10.017 -17.776 1.00 0.00 O ATOM 166 CB GLU A 10 2.679 -11.668 -17.394 1.00 0.00 C ATOM 167 CG GLU A 10 2.968 -13.126 -17.077 1.00 0.00 C ATOM 168 CD GLU A 10 3.398 -13.914 -18.300 1.00 0.00 C ATOM 169 OE1 GLU A 10 2.525 -14.244 -19.129 1.00 0.00 O ATOM 170 OE2 GLU A 10 4.607 -14.200 -18.426 1.00 0.00 O ATOM 0 H GLU A 10 3.573 -11.656 -19.691 1.00 0.00 H new ATOM 0 HA GLU A 10 1.044 -12.275 -18.649 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.622 -11.147 -17.560 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.206 -11.204 -16.529 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.750 -13.181 -16.320 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.077 -13.585 -16.649 1.00 0.00 H new ATOM 177 N ALA A 11 1.520 -9.148 -19.256 1.00 0.00 N ATOM 178 CA ALA A 11 0.906 -7.826 -19.249 1.00 0.00 C ATOM 179 C ALA A 11 -0.597 -7.917 -19.489 1.00 0.00 C ATOM 180 O ALA A 11 -1.362 -7.063 -19.038 1.00 0.00 O ATOM 181 CB ALA A 11 1.556 -6.936 -20.298 1.00 0.00 C ATOM 0 H ALA A 11 2.330 -9.234 -19.870 1.00 0.00 H new ATOM 0 HA ALA A 11 1.065 -7.385 -18.265 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.087 -5.952 -20.281 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.619 -6.835 -20.081 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.427 -7.382 -21.284 1.00 0.00 H new ATOM 187 N LEU A 12 -1.015 -8.958 -20.201 1.00 0.00 N ATOM 188 CA LEU A 12 -2.428 -9.161 -20.502 1.00 0.00 C ATOM 189 C LEU A 12 -3.275 -9.059 -19.237 1.00 0.00 C ATOM 190 O LEU A 12 -4.318 -8.407 -19.228 1.00 0.00 O ATOM 191 CB LEU A 12 -2.639 -10.525 -21.162 1.00 0.00 C ATOM 192 CG LEU A 12 -1.882 -10.762 -22.469 1.00 0.00 C ATOM 193 CD1 LEU A 12 -1.577 -12.241 -22.648 1.00 0.00 C ATOM 194 CD2 LEU A 12 -2.680 -10.232 -23.651 1.00 0.00 C ATOM 0 H LEU A 12 -0.396 -9.674 -20.580 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.743 -8.378 -21.192 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.348 -11.299 -20.452 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.704 -10.652 -21.354 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.937 -10.221 -22.423 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.038 -12.391 -23.583 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.964 -12.589 -21.816 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.510 -12.804 -22.673 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.126 -10.409 -24.573 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.641 -10.745 -23.701 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.846 -9.162 -23.527 1.00 0.00 H new ATOM 206 N GLU A 13 -2.816 -9.707 -18.170 1.00 0.00 N ATOM 207 CA GLU A 13 -3.531 -9.688 -16.900 1.00 0.00 C ATOM 208 C GLU A 13 -3.774 -8.256 -16.434 1.00 0.00 C ATOM 209 O GLU A 13 -4.813 -7.949 -15.849 1.00 0.00 O ATOM 210 CB GLU A 13 -2.745 -10.456 -15.835 1.00 0.00 C ATOM 211 CG GLU A 13 -3.625 -11.229 -14.868 1.00 0.00 C ATOM 212 CD GLU A 13 -2.932 -12.451 -14.297 1.00 0.00 C ATOM 213 OE1 GLU A 13 -2.266 -13.170 -15.071 1.00 0.00 O ATOM 214 OE2 GLU A 13 -3.056 -12.688 -13.077 1.00 0.00 O ATOM 0 H GLU A 13 -1.953 -10.251 -18.161 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.496 -10.172 -17.049 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.065 -11.150 -16.328 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.131 -9.753 -15.272 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.926 -10.572 -14.052 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.536 -11.539 -15.380 1.00 0.00 H new ATOM 221 N PHE A 14 -2.807 -7.382 -16.696 1.00 0.00 N ATOM 222 CA PHE A 14 -2.914 -5.982 -16.303 1.00 0.00 C ATOM 223 C PHE A 14 -3.903 -5.240 -17.196 1.00 0.00 C ATOM 224 O PHE A 14 -4.745 -4.482 -16.713 1.00 0.00 O ATOM 225 CB PHE A 14 -1.543 -5.306 -16.369 1.00 0.00 C ATOM 226 CG PHE A 14 -1.606 -3.810 -16.245 1.00 0.00 C ATOM 227 CD1 PHE A 14 -2.442 -3.214 -15.315 1.00 0.00 C ATOM 228 CD2 PHE A 14 -0.828 -3.001 -17.057 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.503 -1.838 -15.200 1.00 0.00 C ATOM 230 CE2 PHE A 14 -0.884 -1.624 -16.946 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.721 -1.042 -16.015 1.00 0.00 C ATOM 0 H PHE A 14 -1.940 -7.619 -17.179 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.281 -5.946 -15.277 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.913 -5.702 -15.573 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.064 -5.565 -17.313 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.053 -3.831 -14.673 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.170 -3.451 -17.785 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.162 -1.385 -14.474 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.274 -1.005 -17.587 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.764 0.033 -15.924 1.00 0.00 H new ATOM 241 N LEU A 15 -3.796 -5.464 -18.501 1.00 0.00 N ATOM 242 CA LEU A 15 -4.680 -4.816 -19.464 1.00 0.00 C ATOM 243 C LEU A 15 -6.124 -5.264 -19.263 1.00 0.00 C ATOM 244 O LEU A 15 -7.062 -4.542 -19.603 1.00 0.00 O ATOM 245 CB LEU A 15 -4.230 -5.132 -20.892 1.00 0.00 C ATOM 246 CG LEU A 15 -2.777 -4.796 -21.227 1.00 0.00 C ATOM 247 CD1 LEU A 15 -2.281 -5.659 -22.377 1.00 0.00 C ATOM 248 CD2 LEU A 15 -2.636 -3.319 -21.568 1.00 0.00 C ATOM 0 H LEU A 15 -3.106 -6.089 -18.917 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.627 -3.739 -19.303 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.388 -6.195 -21.074 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.876 -4.591 -21.583 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.164 -5.007 -20.350 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.245 -5.406 -22.601 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.345 -6.710 -22.097 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.897 -5.480 -23.258 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.595 -3.098 -21.804 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.261 -3.083 -22.429 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.951 -2.717 -20.715 1.00 0.00 H new ATOM 260 N LEU A 16 -6.296 -6.458 -18.706 1.00 0.00 N ATOM 261 CA LEU A 16 -7.627 -7.001 -18.457 1.00 0.00 C ATOM 262 C LEU A 16 -8.171 -6.515 -17.118 1.00 0.00 C ATOM 263 O LEU A 16 -9.289 -6.005 -17.038 1.00 0.00 O ATOM 264 CB LEU A 16 -7.587 -8.530 -18.480 1.00 0.00 C ATOM 265 CG LEU A 16 -7.696 -9.184 -19.858 1.00 0.00 C ATOM 266 CD1 LEU A 16 -7.381 -10.669 -19.771 1.00 0.00 C ATOM 267 CD2 LEU A 16 -9.084 -8.965 -20.444 1.00 0.00 C ATOM 0 H LEU A 16 -5.531 -7.068 -18.418 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.291 -6.649 -19.247 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.655 -8.856 -18.018 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.400 -8.904 -17.857 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.966 -8.717 -20.519 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.464 -11.117 -20.761 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.367 -10.804 -19.395 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.086 -11.152 -19.094 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.144 -9.437 -21.425 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.831 -9.405 -19.784 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.272 -7.896 -20.544 1.00 0.00 H new ATOM 279 N LYS A 17 -7.374 -6.675 -16.067 1.00 0.00 N ATOM 280 CA LYS A 17 -7.773 -6.250 -14.731 1.00 0.00 C ATOM 281 C LYS A 17 -8.005 -4.743 -14.686 1.00 0.00 C ATOM 282 O LYS A 17 -8.843 -4.258 -13.927 1.00 0.00 O ATOM 283 CB LYS A 17 -6.704 -6.643 -13.708 1.00 0.00 C ATOM 284 CG LYS A 17 -5.479 -5.746 -13.734 1.00 0.00 C ATOM 285 CD LYS A 17 -4.329 -6.349 -12.945 1.00 0.00 C ATOM 286 CE LYS A 17 -4.698 -6.543 -11.482 1.00 0.00 C ATOM 287 NZ LYS A 17 -5.264 -7.896 -11.227 1.00 0.00 N ATOM 0 H LYS A 17 -6.446 -7.097 -16.115 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.708 -6.751 -14.481 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.141 -6.618 -12.710 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.395 -7.671 -13.895 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.168 -5.584 -14.766 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.733 -4.770 -13.320 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.050 -7.308 -13.381 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.456 -5.700 -13.018 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.813 -6.397 -10.862 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.423 -5.785 -11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.195 -7.803 -10.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.368 -8.404 -12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.625 -8.427 -10.602 1.00 0.00 H new ATOM 301 N ALA A 18 -7.259 -4.009 -15.505 1.00 0.00 N ATOM 302 CA ALA A 18 -7.387 -2.558 -15.561 1.00 0.00 C ATOM 303 C ALA A 18 -8.791 -2.147 -15.992 1.00 0.00 C ATOM 304 O ALA A 18 -9.381 -1.228 -15.424 1.00 0.00 O ATOM 305 CB ALA A 18 -6.349 -1.973 -16.507 1.00 0.00 C ATOM 0 H ALA A 18 -6.560 -4.395 -16.139 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.213 -2.163 -14.560 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.456 -0.889 -16.539 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.350 -2.229 -16.154 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.496 -2.382 -17.507 1.00 0.00 H new ATOM 311 N HIS A 19 -9.319 -2.832 -17.001 1.00 0.00 N ATOM 312 CA HIS A 19 -10.655 -2.538 -17.509 1.00 0.00 C ATOM 313 C HIS A 19 -11.709 -2.766 -16.430 1.00 0.00 C ATOM 314 O HIS A 19 -12.613 -1.951 -16.251 1.00 0.00 O ATOM 315 CB HIS A 19 -10.962 -3.405 -18.730 1.00 0.00 C ATOM 316 CG HIS A 19 -10.523 -2.794 -20.025 1.00 0.00 C ATOM 317 ND1 HIS A 19 -9.227 -2.389 -20.265 1.00 0.00 N ATOM 318 CD2 HIS A 19 -11.217 -2.520 -21.154 1.00 0.00 C ATOM 319 CE1 HIS A 19 -9.143 -1.891 -21.486 1.00 0.00 C ATOM 320 NE2 HIS A 19 -10.336 -1.960 -22.047 1.00 0.00 N ATOM 0 H HIS A 19 -8.843 -3.594 -17.483 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.682 -1.489 -17.802 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -10.474 -4.372 -18.610 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -12.035 -3.592 -18.772 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -12.267 -2.707 -21.322 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.250 -1.495 -21.947 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -10.566 -1.648 -22.990 1.00 0.00 H new ATOM 328 N GLN A 20 -11.585 -3.880 -15.715 1.00 0.00 N ATOM 329 CA GLN A 20 -12.529 -4.215 -14.655 1.00 0.00 C ATOM 330 C GLN A 20 -12.652 -3.071 -13.654 1.00 0.00 C ATOM 331 O GLN A 20 -13.747 -2.754 -13.188 1.00 0.00 O ATOM 332 CB GLN A 20 -12.088 -5.491 -13.936 1.00 0.00 C ATOM 333 CG GLN A 20 -13.097 -5.994 -12.916 1.00 0.00 C ATOM 334 CD GLN A 20 -12.859 -7.438 -12.522 1.00 0.00 C ATOM 335 OE1 GLN A 20 -12.060 -7.727 -11.630 1.00 0.00 O ATOM 336 NE2 GLN A 20 -13.552 -8.356 -13.186 1.00 0.00 N ATOM 0 H GLN A 20 -10.841 -4.565 -15.850 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.505 -4.381 -15.111 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.911 -6.272 -14.675 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.138 -5.306 -13.434 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.052 -5.366 -12.026 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.102 -5.894 -13.325 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.204 -8.073 -13.918 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.433 -9.344 -12.964 1.00 0.00 H new ATOM 345 N THR A 21 -11.522 -2.452 -13.327 1.00 0.00 N ATOM 346 CA THR A 21 -11.503 -1.344 -12.380 1.00 0.00 C ATOM 347 C THR A 21 -12.407 -0.208 -12.846 1.00 0.00 C ATOM 348 O THR A 21 -13.234 0.291 -12.083 1.00 0.00 O ATOM 349 CB THR A 21 -10.076 -0.800 -12.180 1.00 0.00 C ATOM 350 OG1 THR A 21 -9.163 -1.884 -11.971 1.00 0.00 O ATOM 351 CG2 THR A 21 -10.020 0.152 -10.995 1.00 0.00 C ATOM 0 H THR A 21 -10.607 -2.700 -13.704 1.00 0.00 H new ATOM 0 HA THR A 21 -11.872 -1.733 -11.431 1.00 0.00 H new ATOM 0 HB THR A 21 -9.791 -0.253 -13.079 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.258 -1.530 -11.846 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.002 0.523 -10.874 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.693 0.991 -11.170 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.324 -0.375 -10.090 1.00 0.00 H new ATOM 359 N ALA A 22 -12.244 0.195 -14.101 1.00 0.00 N ATOM 360 CA ALA A 22 -13.048 1.270 -14.669 1.00 0.00 C ATOM 361 C ALA A 22 -14.504 0.845 -14.823 1.00 0.00 C ATOM 362 O ALA A 22 -15.419 1.588 -14.469 1.00 0.00 O ATOM 363 CB ALA A 22 -12.478 1.703 -16.011 1.00 0.00 C ATOM 0 H ALA A 22 -11.562 -0.207 -14.744 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.015 2.116 -13.982 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.088 2.506 -16.423 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.456 2.057 -15.875 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.480 0.856 -16.698 1.00 0.00 H new ATOM 369 N VAL A 23 -14.712 -0.356 -15.353 1.00 0.00 N ATOM 370 CA VAL A 23 -16.057 -0.881 -15.554 1.00 0.00 C ATOM 371 C VAL A 23 -16.811 -0.980 -14.232 1.00 0.00 C ATOM 372 O VAL A 23 -18.026 -0.788 -14.183 1.00 0.00 O ATOM 373 CB VAL A 23 -16.025 -2.270 -16.219 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.437 -2.802 -16.414 1.00 0.00 C ATOM 375 CG2 VAL A 23 -15.282 -2.207 -17.545 1.00 0.00 C ATOM 0 H VAL A 23 -13.966 -0.984 -15.651 1.00 0.00 H new ATOM 0 HA VAL A 23 -16.574 -0.183 -16.213 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.492 -2.957 -15.562 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.394 -3.784 -16.885 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -17.931 -2.885 -15.446 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -17.999 -2.118 -17.051 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.268 -3.197 -18.002 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.786 -1.507 -18.211 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.259 -1.873 -17.373 1.00 0.00 H new ATOM 385 N ASP A 24 -16.082 -1.280 -13.163 1.00 0.00 N ATOM 386 CA ASP A 24 -16.682 -1.403 -11.839 1.00 0.00 C ATOM 387 C ASP A 24 -16.823 -0.036 -11.177 1.00 0.00 C ATOM 388 O ASP A 24 -17.748 0.197 -10.400 1.00 0.00 O ATOM 389 CB ASP A 24 -15.838 -2.326 -10.958 1.00 0.00 C ATOM 390 CG ASP A 24 -16.179 -3.789 -11.159 1.00 0.00 C ATOM 391 OD1 ASP A 24 -16.126 -4.258 -12.316 1.00 0.00 O ATOM 392 OD2 ASP A 24 -16.497 -4.467 -10.160 1.00 0.00 O ATOM 0 H ASP A 24 -15.075 -1.442 -13.187 1.00 0.00 H new ATOM 0 HA ASP A 24 -17.676 -1.834 -11.956 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.782 -2.168 -11.178 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.988 -2.061 -9.911 1.00 0.00 H new ATOM 397 N LYS A 25 -15.898 0.865 -11.490 1.00 0.00 N ATOM 398 CA LYS A 25 -15.918 2.210 -10.927 1.00 0.00 C ATOM 399 C LYS A 25 -17.178 2.958 -11.350 1.00 0.00 C ATOM 400 O LYS A 25 -17.813 3.632 -10.538 1.00 0.00 O ATOM 401 CB LYS A 25 -14.677 2.988 -11.369 1.00 0.00 C ATOM 402 CG LYS A 25 -13.504 2.857 -10.413 1.00 0.00 C ATOM 403 CD LYS A 25 -12.311 3.675 -10.878 1.00 0.00 C ATOM 404 CE LYS A 25 -11.149 3.570 -9.902 1.00 0.00 C ATOM 405 NZ LYS A 25 -11.509 4.086 -8.553 1.00 0.00 N ATOM 0 H LYS A 25 -15.125 0.688 -12.131 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.917 2.123 -9.841 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.372 2.639 -12.355 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.936 4.042 -11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.806 3.185 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.217 1.809 -10.329 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.993 3.330 -11.862 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.604 4.719 -10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.836 2.529 -9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.298 4.130 -10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.645 4.220 -7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.003 4.996 -8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.131 3.403 -8.075 1.00 0.00 H new ATOM 419 N ILE A 26 -17.534 2.835 -12.624 1.00 0.00 N ATOM 420 CA ILE A 26 -18.720 3.498 -13.153 1.00 0.00 C ATOM 421 C ILE A 26 -19.992 2.904 -12.559 1.00 0.00 C ATOM 422 O ILE A 26 -21.043 3.545 -12.549 1.00 0.00 O ATOM 423 CB ILE A 26 -18.786 3.393 -14.688 1.00 0.00 C ATOM 424 CG1 ILE A 26 -18.774 1.925 -15.122 1.00 0.00 C ATOM 425 CG2 ILE A 26 -17.626 4.147 -15.321 1.00 0.00 C ATOM 426 CD1 ILE A 26 -18.821 1.738 -16.622 1.00 0.00 C ATOM 0 H ILE A 26 -17.018 2.283 -13.309 1.00 0.00 H new ATOM 0 HA ILE A 26 -18.646 4.549 -12.872 1.00 0.00 H new ATOM 0 HB ILE A 26 -19.717 3.846 -15.028 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -17.875 1.447 -14.732 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -19.627 1.415 -14.674 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -17.687 4.063 -16.406 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -17.675 5.198 -15.035 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.684 3.721 -14.976 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -18.810 0.674 -16.856 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -19.733 2.187 -17.016 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -17.954 2.219 -17.076 1.00 0.00 H new ATOM 438 N GLY A 27 -19.890 1.675 -12.062 1.00 0.00 N ATOM 439 CA GLY A 27 -21.040 1.016 -11.470 1.00 0.00 C ATOM 440 C GLY A 27 -21.963 0.416 -12.512 1.00 0.00 C ATOM 441 O GLY A 27 -23.182 0.398 -12.336 1.00 0.00 O ATOM 0 H GLY A 27 -19.032 1.124 -12.059 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.698 0.230 -10.796 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.596 1.734 -10.867 1.00 0.00 H new ATOM 445 N HIS A 28 -21.382 -0.077 -13.601 1.00 0.00 N ATOM 446 CA HIS A 28 -22.162 -0.681 -14.676 1.00 0.00 C ATOM 447 C HIS A 28 -22.847 -1.958 -14.200 1.00 0.00 C ATOM 448 O HIS A 28 -22.423 -2.597 -13.237 1.00 0.00 O ATOM 449 CB HIS A 28 -21.264 -0.987 -15.876 1.00 0.00 C ATOM 450 CG HIS A 28 -21.502 -0.085 -17.048 1.00 0.00 C ATOM 451 ND1 HIS A 28 -21.896 1.230 -16.918 1.00 0.00 N ATOM 452 CD2 HIS A 28 -21.397 -0.315 -18.377 1.00 0.00 C ATOM 453 CE1 HIS A 28 -22.025 1.769 -18.117 1.00 0.00 C ATOM 454 NE2 HIS A 28 -21.728 0.852 -19.020 1.00 0.00 N ATOM 0 H HIS A 28 -20.375 -0.070 -13.763 1.00 0.00 H new ATOM 0 HA HIS A 28 -22.930 0.031 -14.978 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.221 -0.903 -15.570 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.424 -2.020 -16.185 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -21.107 -1.244 -18.845 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -22.323 2.786 -18.324 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -21.742 0.989 -20.031 1.00 0.00 H new ATOM 462 N PRO A 29 -23.934 -2.339 -14.888 1.00 0.00 N ATOM 463 CA PRO A 29 -24.701 -3.542 -14.553 1.00 0.00 C ATOM 464 C PRO A 29 -23.934 -4.824 -14.862 1.00 0.00 C ATOM 465 O PRO A 29 -22.753 -4.784 -15.204 1.00 0.00 O ATOM 466 CB PRO A 29 -25.941 -3.432 -15.444 1.00 0.00 C ATOM 467 CG PRO A 29 -25.506 -2.595 -16.597 1.00 0.00 C ATOM 468 CD PRO A 29 -24.496 -1.625 -16.046 1.00 0.00 C ATOM 0 HA PRO A 29 -24.928 -3.597 -13.488 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -26.280 -4.414 -15.773 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -26.772 -2.970 -14.911 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -25.068 -3.210 -17.383 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -26.352 -2.069 -17.039 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -23.728 -1.384 -16.781 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -24.961 -0.685 -15.751 1.00 0.00 H new ATOM 476 N SER A 30 -24.615 -5.959 -14.741 1.00 0.00 N ATOM 477 CA SER A 30 -23.996 -7.253 -15.005 1.00 0.00 C ATOM 478 C SER A 30 -24.804 -8.042 -16.030 1.00 0.00 C ATOM 479 O SER A 30 -24.713 -9.268 -16.100 1.00 0.00 O ATOM 480 CB SER A 30 -23.872 -8.056 -13.709 1.00 0.00 C ATOM 481 OG SER A 30 -22.737 -7.650 -12.964 1.00 0.00 O ATOM 0 H SER A 30 -25.595 -6.009 -14.462 1.00 0.00 H new ATOM 0 HA SER A 30 -23.000 -7.076 -15.411 1.00 0.00 H new ATOM 0 HB2 SER A 30 -24.772 -7.924 -13.108 1.00 0.00 H new ATOM 0 HB3 SER A 30 -23.797 -9.118 -13.941 1.00 0.00 H new ATOM 0 HG SER A 30 -22.681 -8.177 -12.140 1.00 0.00 H new ATOM 487 N HIS A 31 -25.596 -7.330 -16.826 1.00 0.00 N ATOM 488 CA HIS A 31 -26.421 -7.963 -17.849 1.00 0.00 C ATOM 489 C HIS A 31 -25.569 -8.823 -18.778 1.00 0.00 C ATOM 490 O HIS A 31 -24.351 -8.660 -18.849 1.00 0.00 O ATOM 491 CB HIS A 31 -27.168 -6.903 -18.659 1.00 0.00 C ATOM 492 CG HIS A 31 -28.322 -7.450 -19.442 1.00 0.00 C ATOM 493 ND1 HIS A 31 -29.425 -8.029 -18.851 1.00 0.00 N ATOM 494 CD2 HIS A 31 -28.540 -7.504 -20.777 1.00 0.00 C ATOM 495 CE1 HIS A 31 -30.272 -8.416 -19.789 1.00 0.00 C ATOM 496 NE2 HIS A 31 -29.758 -8.108 -20.966 1.00 0.00 N ATOM 0 H HIS A 31 -25.684 -6.315 -16.782 1.00 0.00 H new ATOM 0 HA HIS A 31 -27.146 -8.606 -17.350 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -27.533 -6.130 -17.982 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -26.470 -6.423 -19.344 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -27.879 -7.140 -21.549 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -31.222 -8.901 -19.622 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -30.195 -8.290 -21.869 1.00 0.00 H new ATOM 504 N LYS A 32 -26.218 -9.740 -19.487 1.00 0.00 N ATOM 505 CA LYS A 32 -25.522 -10.627 -20.412 1.00 0.00 C ATOM 506 C LYS A 32 -24.772 -9.826 -21.472 1.00 0.00 C ATOM 507 O LYS A 32 -25.153 -8.703 -21.798 1.00 0.00 O ATOM 508 CB LYS A 32 -26.515 -11.578 -21.084 1.00 0.00 C ATOM 509 CG LYS A 32 -27.168 -12.555 -20.121 1.00 0.00 C ATOM 510 CD LYS A 32 -27.907 -13.657 -20.861 1.00 0.00 C ATOM 511 CE LYS A 32 -29.274 -13.190 -21.336 1.00 0.00 C ATOM 512 NZ LYS A 32 -30.221 -13.004 -20.202 1.00 0.00 N ATOM 0 H LYS A 32 -27.226 -9.889 -19.439 1.00 0.00 H new ATOM 0 HA LYS A 32 -24.799 -11.210 -19.842 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -27.291 -10.992 -21.575 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -25.998 -12.139 -21.863 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -26.407 -12.995 -19.476 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -27.863 -12.020 -19.474 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -27.315 -13.982 -21.716 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -28.024 -14.521 -20.207 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -29.169 -12.251 -21.879 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -29.684 -13.918 -22.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -31.196 -12.987 -20.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -30.115 -13.789 -19.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -30.014 -12.105 -19.721 1.00 0.00 H new ATOM 526 N GLN A 33 -23.706 -10.414 -22.006 1.00 0.00 N ATOM 527 CA GLN A 33 -22.903 -9.755 -23.029 1.00 0.00 C ATOM 528 C GLN A 33 -23.776 -9.294 -24.192 1.00 0.00 C ATOM 529 O GLN A 33 -24.696 -9.998 -24.610 1.00 0.00 O ATOM 530 CB GLN A 33 -21.812 -10.698 -23.538 1.00 0.00 C ATOM 531 CG GLN A 33 -22.322 -12.087 -23.887 1.00 0.00 C ATOM 532 CD GLN A 33 -21.346 -12.869 -24.743 1.00 0.00 C ATOM 533 OE1 GLN A 33 -21.470 -12.909 -25.968 1.00 0.00 O ATOM 534 NE2 GLN A 33 -20.367 -13.497 -24.103 1.00 0.00 N ATOM 0 H GLN A 33 -23.379 -11.345 -21.747 1.00 0.00 H new ATOM 0 HA GLN A 33 -22.435 -8.879 -22.579 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -21.346 -10.259 -24.420 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -21.036 -10.786 -22.778 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -22.517 -12.640 -22.968 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -23.272 -11.999 -24.414 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -20.301 -13.437 -23.087 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.680 -14.039 -24.627 1.00 0.00 H new ATOM 543 N THR A 34 -23.482 -8.106 -24.712 1.00 0.00 N ATOM 544 CA THR A 34 -24.241 -7.551 -25.826 1.00 0.00 C ATOM 545 C THR A 34 -23.498 -7.735 -27.144 1.00 0.00 C ATOM 546 O THR A 34 -22.284 -7.939 -27.176 1.00 0.00 O ATOM 547 CB THR A 34 -24.528 -6.052 -25.617 1.00 0.00 C ATOM 548 OG1 THR A 34 -23.486 -5.457 -24.836 1.00 0.00 O ATOM 549 CG2 THR A 34 -25.867 -5.849 -24.924 1.00 0.00 C ATOM 0 H THR A 34 -22.724 -7.510 -24.379 1.00 0.00 H new ATOM 0 HA THR A 34 -25.186 -8.093 -25.866 1.00 0.00 H new ATOM 0 HB THR A 34 -24.566 -5.573 -26.595 1.00 0.00 H new ATOM 0 HG1 THR A 34 -23.676 -4.504 -24.709 1.00 0.00 H new ATOM 0 HG21 THR A 34 -26.048 -4.783 -24.787 1.00 0.00 H new ATOM 0 HG22 THR A 34 -26.662 -6.276 -25.536 1.00 0.00 H new ATOM 0 HG23 THR A 34 -25.852 -6.342 -23.952 1.00 0.00 H new ATOM 557 N PRO A 35 -24.240 -7.662 -28.258 1.00 0.00 N ATOM 558 CA PRO A 35 -23.672 -7.817 -29.600 1.00 0.00 C ATOM 559 C PRO A 35 -22.787 -6.639 -29.995 1.00 0.00 C ATOM 560 O PRO A 35 -21.784 -6.809 -30.686 1.00 0.00 O ATOM 561 CB PRO A 35 -24.906 -7.885 -30.503 1.00 0.00 C ATOM 562 CG PRO A 35 -25.967 -7.160 -29.749 1.00 0.00 C ATOM 563 CD PRO A 35 -25.693 -7.421 -28.294 1.00 0.00 C ATOM 0 HA PRO A 35 -23.027 -8.693 -29.670 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -24.716 -7.417 -31.469 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -25.196 -8.917 -30.701 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -25.939 -6.092 -29.966 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -26.958 -7.517 -30.030 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -25.975 -6.570 -27.673 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -26.252 -8.282 -27.928 1.00 0.00 H new ATOM 571 N ALA A 36 -23.167 -5.446 -29.550 1.00 0.00 N ATOM 572 CA ALA A 36 -22.406 -4.240 -29.855 1.00 0.00 C ATOM 573 C ALA A 36 -20.959 -4.373 -29.394 1.00 0.00 C ATOM 574 O ALA A 36 -20.063 -3.722 -29.934 1.00 0.00 O ATOM 575 CB ALA A 36 -23.059 -3.027 -29.209 1.00 0.00 C ATOM 0 H ALA A 36 -23.996 -5.288 -28.978 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.404 -4.105 -30.937 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.481 -2.134 -29.445 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -24.074 -2.914 -29.591 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.091 -3.164 -28.128 1.00 0.00 H new ATOM 581 N ASP A 37 -20.736 -5.218 -28.394 1.00 0.00 N ATOM 582 CA ASP A 37 -19.397 -5.436 -27.860 1.00 0.00 C ATOM 583 C ASP A 37 -18.426 -5.824 -28.971 1.00 0.00 C ATOM 584 O ASP A 37 -17.228 -5.552 -28.886 1.00 0.00 O ATOM 585 CB ASP A 37 -19.423 -6.524 -26.786 1.00 0.00 C ATOM 586 CG ASP A 37 -18.216 -6.464 -25.871 1.00 0.00 C ATOM 587 OD1 ASP A 37 -17.917 -5.367 -25.354 1.00 0.00 O ATOM 588 OD2 ASP A 37 -17.571 -7.514 -25.671 1.00 0.00 O ATOM 0 H ASP A 37 -21.466 -5.764 -27.936 1.00 0.00 H new ATOM 0 HA ASP A 37 -19.055 -4.503 -27.412 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -20.331 -6.422 -26.192 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.464 -7.502 -27.265 1.00 0.00 H new ATOM 593 N HIS A 38 -18.951 -6.462 -30.013 1.00 0.00 N ATOM 594 CA HIS A 38 -18.131 -6.889 -31.141 1.00 0.00 C ATOM 595 C HIS A 38 -17.414 -5.699 -31.772 1.00 0.00 C ATOM 596 O HIS A 38 -16.312 -5.835 -32.301 1.00 0.00 O ATOM 597 CB HIS A 38 -18.993 -7.594 -32.188 1.00 0.00 C ATOM 598 CG HIS A 38 -19.521 -8.920 -31.735 1.00 0.00 C ATOM 599 ND1 HIS A 38 -18.816 -9.768 -30.907 1.00 0.00 N ATOM 600 CD2 HIS A 38 -20.694 -9.543 -31.997 1.00 0.00 C ATOM 601 CE1 HIS A 38 -19.531 -10.855 -30.681 1.00 0.00 C ATOM 602 NE2 HIS A 38 -20.676 -10.743 -31.331 1.00 0.00 N ATOM 0 H HIS A 38 -19.940 -6.694 -30.099 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.381 -7.588 -30.770 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -19.831 -6.949 -32.450 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -18.405 -7.737 -33.094 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -21.495 -9.166 -32.615 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -19.231 -11.693 -30.069 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -21.425 -11.436 -31.337 1.00 0.00 H new ATOM 610 N ALA A 39 -18.049 -4.533 -31.713 1.00 0.00 N ATOM 611 CA ALA A 39 -17.472 -3.319 -32.278 1.00 0.00 C ATOM 612 C ALA A 39 -16.439 -2.713 -31.335 1.00 0.00 C ATOM 613 O ALA A 39 -15.472 -2.092 -31.775 1.00 0.00 O ATOM 614 CB ALA A 39 -18.566 -2.308 -32.586 1.00 0.00 C ATOM 0 H ALA A 39 -18.963 -4.403 -31.280 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.967 -3.584 -33.207 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.120 -1.407 -33.007 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.266 -2.736 -33.304 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -19.097 -2.055 -31.668 1.00 0.00 H new ATOM 620 N ALA A 40 -16.650 -2.896 -30.036 1.00 0.00 N ATOM 621 CA ALA A 40 -15.736 -2.368 -29.031 1.00 0.00 C ATOM 622 C ALA A 40 -14.309 -2.845 -29.281 1.00 0.00 C ATOM 623 O ALA A 40 -13.346 -2.184 -28.892 1.00 0.00 O ATOM 624 CB ALA A 40 -16.193 -2.772 -27.637 1.00 0.00 C ATOM 0 H ALA A 40 -17.447 -3.406 -29.655 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.745 -1.280 -29.103 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.501 -2.371 -26.897 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.192 -2.376 -27.452 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.214 -3.859 -27.562 1.00 0.00 H new ATOM 630 N ILE A 41 -14.181 -3.997 -29.932 1.00 0.00 N ATOM 631 CA ILE A 41 -12.872 -4.562 -30.234 1.00 0.00 C ATOM 632 C ILE A 41 -12.012 -3.570 -31.010 1.00 0.00 C ATOM 633 O ILE A 41 -10.783 -3.629 -30.962 1.00 0.00 O ATOM 634 CB ILE A 41 -12.995 -5.864 -31.047 1.00 0.00 C ATOM 635 CG1 ILE A 41 -13.891 -6.865 -30.315 1.00 0.00 C ATOM 636 CG2 ILE A 41 -11.619 -6.462 -31.300 1.00 0.00 C ATOM 637 CD1 ILE A 41 -13.376 -7.247 -28.945 1.00 0.00 C ATOM 0 H ILE A 41 -14.968 -4.557 -30.260 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.395 -4.784 -29.279 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.452 -5.633 -32.009 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -14.890 -6.440 -30.213 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -13.988 -7.765 -30.922 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.722 -7.382 -31.876 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.010 -5.751 -31.858 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.137 -6.682 -30.347 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -14.061 -7.959 -28.484 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.390 -7.702 -29.041 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.306 -6.356 -28.321 1.00 0.00 H new ATOM 649 N GLU A 42 -12.666 -2.659 -31.724 1.00 0.00 N ATOM 650 CA GLU A 42 -11.959 -1.654 -32.509 1.00 0.00 C ATOM 651 C GLU A 42 -11.004 -0.850 -31.632 1.00 0.00 C ATOM 652 O GLU A 42 -9.943 -0.419 -32.083 1.00 0.00 O ATOM 653 CB GLU A 42 -12.956 -0.714 -33.191 1.00 0.00 C ATOM 654 CG GLU A 42 -13.628 0.258 -32.235 1.00 0.00 C ATOM 655 CD GLU A 42 -14.941 0.791 -32.772 1.00 0.00 C ATOM 656 OE1 GLU A 42 -15.077 0.900 -34.009 1.00 0.00 O ATOM 657 OE2 GLU A 42 -15.835 1.099 -31.956 1.00 0.00 O ATOM 0 H GLU A 42 -13.683 -2.596 -31.775 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.376 -2.170 -33.272 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.438 -0.149 -33.966 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.722 -1.309 -33.689 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.805 -0.240 -31.282 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.955 1.092 -32.039 1.00 0.00 H new ATOM 664 N ALA A 43 -11.389 -0.652 -30.375 1.00 0.00 N ATOM 665 CA ALA A 43 -10.567 0.098 -29.434 1.00 0.00 C ATOM 666 C ALA A 43 -9.433 -0.764 -28.887 1.00 0.00 C ATOM 667 O ALA A 43 -8.282 -0.331 -28.833 1.00 0.00 O ATOM 668 CB ALA A 43 -11.423 0.632 -28.295 1.00 0.00 C ATOM 0 H ALA A 43 -12.265 -1.001 -29.985 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.124 0.940 -29.967 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.796 1.190 -27.600 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.194 1.290 -28.697 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.893 -0.201 -27.772 1.00 0.00 H new ATOM 674 N LEU A 44 -9.767 -1.984 -28.482 1.00 0.00 N ATOM 675 CA LEU A 44 -8.776 -2.907 -27.938 1.00 0.00 C ATOM 676 C LEU A 44 -7.612 -3.089 -28.907 1.00 0.00 C ATOM 677 O LEU A 44 -6.487 -3.374 -28.495 1.00 0.00 O ATOM 678 CB LEU A 44 -9.422 -4.261 -27.638 1.00 0.00 C ATOM 679 CG LEU A 44 -10.653 -4.231 -26.732 1.00 0.00 C ATOM 680 CD1 LEU A 44 -11.397 -5.556 -26.799 1.00 0.00 C ATOM 681 CD2 LEU A 44 -10.253 -3.914 -25.299 1.00 0.00 C ATOM 0 H LEU A 44 -10.715 -2.357 -28.520 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.390 -2.482 -27.011 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.703 -4.725 -28.584 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.672 -4.905 -27.178 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.320 -3.444 -27.084 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.270 -5.516 -26.148 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.717 -5.742 -27.824 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.738 -6.360 -26.473 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.142 -3.897 -24.668 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.565 -4.678 -24.936 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.765 -2.940 -25.264 1.00 0.00 H new ATOM 693 N ASP A 45 -7.890 -2.922 -30.195 1.00 0.00 N ATOM 694 CA ASP A 45 -6.865 -3.064 -31.223 1.00 0.00 C ATOM 695 C ASP A 45 -5.646 -2.208 -30.897 1.00 0.00 C ATOM 696 O ASP A 45 -4.515 -2.571 -31.223 1.00 0.00 O ATOM 697 CB ASP A 45 -7.427 -2.674 -32.591 1.00 0.00 C ATOM 698 CG ASP A 45 -6.540 -3.130 -33.733 1.00 0.00 C ATOM 699 OD1 ASP A 45 -6.524 -4.345 -34.023 1.00 0.00 O ATOM 700 OD2 ASP A 45 -5.863 -2.272 -34.337 1.00 0.00 O ATOM 0 H ASP A 45 -8.816 -2.688 -30.552 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.555 -4.109 -31.251 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.420 -3.108 -32.710 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.545 -1.591 -32.637 1.00 0.00 H new ATOM 705 N ARG A 46 -5.883 -1.070 -30.254 1.00 0.00 N ATOM 706 CA ARG A 46 -4.804 -0.161 -29.886 1.00 0.00 C ATOM 707 C ARG A 46 -3.838 -0.830 -28.913 1.00 0.00 C ATOM 708 O ARG A 46 -2.656 -1.001 -29.214 1.00 0.00 O ATOM 709 CB ARG A 46 -5.373 1.114 -29.261 1.00 0.00 C ATOM 710 CG ARG A 46 -4.521 2.347 -29.509 1.00 0.00 C ATOM 711 CD ARG A 46 -5.349 3.621 -29.436 1.00 0.00 C ATOM 712 NE ARG A 46 -4.748 4.709 -30.203 1.00 0.00 N ATOM 713 CZ ARG A 46 -3.630 5.330 -29.845 1.00 0.00 C ATOM 714 NH1 ARG A 46 -2.994 4.972 -28.738 1.00 0.00 N ATOM 715 NH2 ARG A 46 -3.146 6.312 -30.595 1.00 0.00 N ATOM 0 H ARG A 46 -6.813 -0.755 -29.977 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.257 0.100 -30.792 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.373 1.288 -29.658 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.478 0.966 -28.186 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.719 2.390 -28.772 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.050 2.274 -30.489 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.353 3.423 -29.813 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.454 3.926 -28.395 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.212 5.008 -31.060 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.363 4.218 -28.159 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.136 5.451 -28.466 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.633 6.590 -31.447 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.287 6.788 -30.319 1.00 0.00 H new ATOM 729 N LEU A 47 -4.347 -1.205 -27.745 1.00 0.00 N ATOM 730 CA LEU A 47 -3.530 -1.855 -26.726 1.00 0.00 C ATOM 731 C LEU A 47 -3.019 -3.205 -27.219 1.00 0.00 C ATOM 732 O LEU A 47 -1.909 -3.621 -26.883 1.00 0.00 O ATOM 733 CB LEU A 47 -4.335 -2.040 -25.439 1.00 0.00 C ATOM 734 CG LEU A 47 -5.264 -3.254 -25.397 1.00 0.00 C ATOM 735 CD1 LEU A 47 -4.530 -4.468 -24.850 1.00 0.00 C ATOM 736 CD2 LEU A 47 -6.498 -2.952 -24.560 1.00 0.00 C ATOM 0 H LEU A 47 -5.323 -1.070 -27.480 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.672 -1.215 -26.520 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.637 -2.113 -24.605 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.934 -1.144 -25.277 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.586 -3.478 -26.414 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.206 -5.322 -24.827 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.678 -4.697 -25.490 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.179 -4.256 -23.840 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.148 -3.827 -24.541 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.196 -2.703 -23.543 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.036 -2.110 -24.995 1.00 0.00 H new ATOM 748 N LEU A 48 -3.834 -3.885 -28.017 1.00 0.00 N ATOM 749 CA LEU A 48 -3.464 -5.188 -28.558 1.00 0.00 C ATOM 750 C LEU A 48 -2.227 -5.079 -29.443 1.00 0.00 C ATOM 751 O LEU A 48 -1.326 -5.916 -29.374 1.00 0.00 O ATOM 752 CB LEU A 48 -4.627 -5.779 -29.357 1.00 0.00 C ATOM 753 CG LEU A 48 -5.834 -6.245 -28.542 1.00 0.00 C ATOM 754 CD1 LEU A 48 -7.064 -6.363 -29.429 1.00 0.00 C ATOM 755 CD2 LEU A 48 -5.537 -7.573 -27.861 1.00 0.00 C ATOM 0 H LEU A 48 -4.756 -3.556 -28.304 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.233 -5.849 -27.722 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.965 -5.032 -30.075 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.253 -6.626 -29.932 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.037 -5.501 -27.772 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.913 -6.696 -28.832 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.289 -5.392 -29.870 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.873 -7.086 -30.222 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.407 -7.889 -27.285 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.308 -8.326 -28.615 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.683 -7.457 -27.194 1.00 0.00 H new ATOM 767 N LEU A 49 -2.188 -4.042 -30.272 1.00 0.00 N ATOM 768 CA LEU A 49 -1.060 -3.821 -31.169 1.00 0.00 C ATOM 769 C LEU A 49 0.152 -3.301 -30.403 1.00 0.00 C ATOM 770 O LEU A 49 1.289 -3.674 -30.692 1.00 0.00 O ATOM 771 CB LEU A 49 -1.445 -2.832 -32.271 1.00 0.00 C ATOM 772 CG LEU A 49 -0.327 -2.431 -33.233 1.00 0.00 C ATOM 773 CD1 LEU A 49 -0.299 -3.360 -34.437 1.00 0.00 C ATOM 774 CD2 LEU A 49 -0.498 -0.985 -33.677 1.00 0.00 C ATOM 0 H LEU A 49 -2.925 -3.341 -30.341 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.796 -4.776 -31.623 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.259 -3.265 -32.852 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.834 -1.929 -31.801 1.00 0.00 H new ATOM 0 HG LEU A 49 0.625 -2.520 -32.710 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.503 -3.059 -35.110 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.127 -4.383 -34.103 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.253 -3.305 -34.962 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.307 -0.717 -34.361 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.457 -0.870 -34.182 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.466 -0.331 -32.806 1.00 0.00 H new ATOM 786 N ASP A 50 -0.100 -2.438 -29.425 1.00 0.00 N ATOM 787 CA ASP A 50 0.970 -1.868 -28.614 1.00 0.00 C ATOM 788 C ASP A 50 1.671 -2.951 -27.800 1.00 0.00 C ATOM 789 O ASP A 50 2.875 -2.876 -27.554 1.00 0.00 O ATOM 790 CB ASP A 50 0.414 -0.791 -27.682 1.00 0.00 C ATOM 791 CG ASP A 50 0.378 0.577 -28.333 1.00 0.00 C ATOM 792 OD1 ASP A 50 1.452 1.069 -28.741 1.00 0.00 O ATOM 793 OD2 ASP A 50 -0.723 1.156 -28.437 1.00 0.00 O ATOM 0 H ASP A 50 -1.035 -2.118 -29.174 1.00 0.00 H new ATOM 0 HA ASP A 50 1.699 -1.415 -29.285 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.593 -1.069 -27.371 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.025 -0.745 -26.780 1.00 0.00 H new ATOM 798 N VAL A 51 0.909 -3.958 -27.384 1.00 0.00 N ATOM 799 CA VAL A 51 1.457 -5.056 -26.598 1.00 0.00 C ATOM 800 C VAL A 51 2.142 -6.084 -27.491 1.00 0.00 C ATOM 801 O VAL A 51 3.302 -6.436 -27.274 1.00 0.00 O ATOM 802 CB VAL A 51 0.361 -5.758 -25.774 1.00 0.00 C ATOM 803 CG1 VAL A 51 0.932 -6.961 -25.039 1.00 0.00 C ATOM 804 CG2 VAL A 51 -0.280 -4.782 -24.799 1.00 0.00 C ATOM 0 H VAL A 51 -0.089 -4.036 -27.579 1.00 0.00 H new ATOM 0 HA VAL A 51 2.191 -4.623 -25.919 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.411 -6.113 -26.457 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.143 -7.444 -24.463 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.339 -7.669 -25.761 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.724 -6.634 -24.366 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.052 -5.295 -24.225 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.479 -4.394 -24.120 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.728 -3.956 -25.352 1.00 0.00 H new ATOM 814 N ARG A 52 1.418 -6.561 -28.498 1.00 0.00 N ATOM 815 CA ARG A 52 1.955 -7.549 -29.425 1.00 0.00 C ATOM 816 C ARG A 52 3.215 -7.025 -30.109 1.00 0.00 C ATOM 817 O ARG A 52 4.118 -7.792 -30.441 1.00 0.00 O ATOM 818 CB ARG A 52 0.907 -7.917 -30.477 1.00 0.00 C ATOM 819 CG ARG A 52 0.725 -6.858 -31.552 1.00 0.00 C ATOM 820 CD ARG A 52 1.615 -7.128 -32.755 1.00 0.00 C ATOM 821 NE ARG A 52 0.931 -7.919 -33.775 1.00 0.00 N ATOM 822 CZ ARG A 52 1.563 -8.583 -34.736 1.00 0.00 C ATOM 823 NH1 ARG A 52 2.887 -8.552 -34.808 1.00 0.00 N ATOM 824 NH2 ARG A 52 0.871 -9.281 -35.628 1.00 0.00 N ATOM 0 H ARG A 52 0.457 -6.279 -28.693 1.00 0.00 H new ATOM 0 HA ARG A 52 2.215 -8.440 -28.854 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.193 -8.857 -30.949 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.049 -8.087 -29.981 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.318 -6.834 -31.868 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.956 -5.876 -31.140 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.938 -6.181 -33.187 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.513 -7.653 -32.431 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.088 -7.964 -33.748 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.423 -8.017 -34.124 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.370 -9.063 -35.547 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.147 -9.308 -35.576 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.358 -9.791 -36.366 1.00 0.00 H new ATOM 838 N ALA A 53 3.266 -5.713 -30.316 1.00 0.00 N ATOM 839 CA ALA A 53 4.415 -5.086 -30.959 1.00 0.00 C ATOM 840 C ALA A 53 5.504 -4.764 -29.942 1.00 0.00 C ATOM 841 O ALA A 53 6.514 -4.143 -30.275 1.00 0.00 O ATOM 842 CB ALA A 53 3.985 -3.825 -31.693 1.00 0.00 C ATOM 0 H ALA A 53 2.526 -5.064 -30.048 1.00 0.00 H new ATOM 0 HA ALA A 53 4.826 -5.791 -31.681 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.852 -3.367 -32.168 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.247 -4.080 -32.453 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.547 -3.123 -30.984 1.00 0.00 H new ATOM 848 N ARG A 54 5.293 -5.189 -28.700 1.00 0.00 N ATOM 849 CA ARG A 54 6.257 -4.943 -27.634 1.00 0.00 C ATOM 850 C ARG A 54 6.624 -3.463 -27.564 1.00 0.00 C ATOM 851 O ARG A 54 7.801 -3.104 -27.586 1.00 0.00 O ATOM 852 CB ARG A 54 7.517 -5.782 -27.854 1.00 0.00 C ATOM 853 CG ARG A 54 8.349 -5.972 -26.596 1.00 0.00 C ATOM 854 CD ARG A 54 9.820 -6.169 -26.926 1.00 0.00 C ATOM 855 NE ARG A 54 10.418 -4.969 -27.504 1.00 0.00 N ATOM 856 CZ ARG A 54 11.637 -4.935 -28.030 1.00 0.00 C ATOM 857 NH1 ARG A 54 12.385 -6.030 -28.049 1.00 0.00 N ATOM 858 NH2 ARG A 54 12.111 -3.804 -28.538 1.00 0.00 N ATOM 0 H ARG A 54 4.463 -5.705 -28.408 1.00 0.00 H new ATOM 0 HA ARG A 54 5.797 -5.231 -26.688 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.229 -6.760 -28.240 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.132 -5.306 -28.618 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.234 -5.104 -25.947 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.981 -6.835 -26.042 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.361 -6.443 -26.020 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.927 -6.999 -27.624 1.00 0.00 H new ATOM 0 HE ARG A 54 9.869 -4.109 -27.504 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.024 -6.901 -27.659 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.321 -6.001 -28.454 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.539 -2.960 -28.525 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.047 -3.779 -28.942 1.00 0.00 H new ATOM 872 N ARG A 55 5.608 -2.610 -27.479 1.00 0.00 N ATOM 873 CA ARG A 55 5.824 -1.170 -27.407 1.00 0.00 C ATOM 874 C ARG A 55 5.046 -0.561 -26.245 1.00 0.00 C ATOM 875 O ARG A 55 4.694 0.618 -26.270 1.00 0.00 O ATOM 876 CB ARG A 55 5.406 -0.504 -28.719 1.00 0.00 C ATOM 877 CG ARG A 55 6.464 -0.585 -29.808 1.00 0.00 C ATOM 878 CD ARG A 55 7.494 0.525 -29.666 1.00 0.00 C ATOM 879 NE ARG A 55 6.940 1.833 -30.007 1.00 0.00 N ATOM 880 CZ ARG A 55 6.714 2.232 -31.254 1.00 0.00 C ATOM 881 NH1 ARG A 55 6.991 1.429 -32.272 1.00 0.00 N ATOM 882 NH2 ARG A 55 6.208 3.437 -31.484 1.00 0.00 N ATOM 0 H ARG A 55 4.628 -2.891 -27.458 1.00 0.00 H new ATOM 0 HA ARG A 55 6.887 -0.995 -27.241 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.490 -0.973 -29.079 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.174 0.544 -28.527 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.962 -1.553 -29.762 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.987 -0.518 -30.786 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.866 0.545 -28.642 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.347 0.313 -30.311 1.00 0.00 H new ATOM 0 HE ARG A 55 6.715 2.475 -29.247 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.379 0.502 -32.099 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.816 1.739 -33.228 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.992 4.057 -30.703 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.035 3.743 -32.441 1.00 0.00 H new ATOM 896 N VAL A 56 4.780 -1.374 -25.227 1.00 0.00 N ATOM 897 CA VAL A 56 4.045 -0.916 -24.054 1.00 0.00 C ATOM 898 C VAL A 56 4.994 -0.536 -22.924 1.00 0.00 C ATOM 899 O VAL A 56 6.094 -1.078 -22.814 1.00 0.00 O ATOM 900 CB VAL A 56 3.067 -1.993 -23.549 1.00 0.00 C ATOM 901 CG1 VAL A 56 3.828 -3.196 -23.012 1.00 0.00 C ATOM 902 CG2 VAL A 56 2.144 -1.418 -22.485 1.00 0.00 C ATOM 0 H VAL A 56 5.063 -2.353 -25.191 1.00 0.00 H new ATOM 0 HA VAL A 56 3.479 -0.036 -24.359 1.00 0.00 H new ATOM 0 HB VAL A 56 2.455 -2.325 -24.388 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.120 -3.947 -22.660 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.443 -3.621 -23.805 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.467 -2.883 -22.186 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.460 -2.193 -22.140 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.737 -1.057 -21.645 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.573 -0.591 -22.907 1.00 0.00 H new ATOM 912 N ASP A 57 4.561 0.398 -22.084 1.00 0.00 N ATOM 913 CA ASP A 57 5.372 0.851 -20.960 1.00 0.00 C ATOM 914 C ASP A 57 4.620 0.678 -19.644 1.00 0.00 C ATOM 915 O ASP A 57 3.482 0.210 -19.626 1.00 0.00 O ATOM 916 CB ASP A 57 5.769 2.316 -21.146 1.00 0.00 C ATOM 917 CG ASP A 57 4.567 3.235 -21.237 1.00 0.00 C ATOM 918 OD1 ASP A 57 3.865 3.191 -22.269 1.00 0.00 O ATOM 919 OD2 ASP A 57 4.329 3.998 -20.278 1.00 0.00 O ATOM 0 H ASP A 57 3.653 0.856 -22.160 1.00 0.00 H new ATOM 0 HA ASP A 57 6.274 0.241 -20.926 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.398 2.627 -20.312 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.368 2.415 -22.052 1.00 0.00 H new ATOM 924 N GLN A 58 5.264 1.059 -18.545 1.00 0.00 N ATOM 925 CA GLN A 58 4.656 0.945 -17.225 1.00 0.00 C ATOM 926 C GLN A 58 3.983 2.252 -16.821 1.00 0.00 C ATOM 927 O GLN A 58 4.464 3.337 -17.148 1.00 0.00 O ATOM 928 CB GLN A 58 5.710 0.558 -16.187 1.00 0.00 C ATOM 929 CG GLN A 58 6.834 1.573 -16.053 1.00 0.00 C ATOM 930 CD GLN A 58 7.991 1.289 -16.991 1.00 0.00 C ATOM 931 OE1 GLN A 58 8.618 0.232 -16.920 1.00 0.00 O ATOM 932 NE2 GLN A 58 8.279 2.235 -17.878 1.00 0.00 N ATOM 0 H GLN A 58 6.206 1.449 -18.543 1.00 0.00 H new ATOM 0 HA GLN A 58 3.896 0.165 -17.269 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.226 0.435 -15.218 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.135 -0.409 -16.456 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.444 2.571 -16.255 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.196 1.575 -15.025 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.732 3.096 -17.901 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.047 2.100 -18.536 1.00 0.00 H new ATOM 941 N PHE A 59 2.867 2.142 -16.107 1.00 0.00 N ATOM 942 CA PHE A 59 2.127 3.316 -15.659 1.00 0.00 C ATOM 943 C PHE A 59 1.127 2.944 -14.568 1.00 0.00 C ATOM 944 O PHE A 59 0.814 1.770 -14.373 1.00 0.00 O ATOM 945 CB PHE A 59 1.396 3.964 -16.837 1.00 0.00 C ATOM 946 CG PHE A 59 1.016 5.396 -16.591 1.00 0.00 C ATOM 947 CD1 PHE A 59 1.980 6.392 -16.590 1.00 0.00 C ATOM 948 CD2 PHE A 59 -0.304 5.748 -16.363 1.00 0.00 C ATOM 949 CE1 PHE A 59 1.634 7.710 -16.363 1.00 0.00 C ATOM 950 CE2 PHE A 59 -0.657 7.065 -16.136 1.00 0.00 C ATOM 951 CZ PHE A 59 0.313 8.047 -16.137 1.00 0.00 C ATOM 0 H PHE A 59 2.456 1.252 -15.826 1.00 0.00 H new ATOM 0 HA PHE A 59 2.840 4.029 -15.246 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.031 3.912 -17.722 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.496 3.390 -17.056 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.014 6.135 -16.769 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.067 4.984 -16.363 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.395 8.476 -16.362 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.690 7.325 -15.958 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.040 9.077 -15.961 1.00 0.00 H new ATOM 961 N GLN A 60 0.630 3.953 -13.860 1.00 0.00 N ATOM 962 CA GLN A 60 -0.333 3.733 -12.788 1.00 0.00 C ATOM 963 C GLN A 60 -1.385 4.837 -12.765 1.00 0.00 C ATOM 964 O GLN A 60 -1.068 6.013 -12.944 1.00 0.00 O ATOM 965 CB GLN A 60 0.382 3.665 -11.437 1.00 0.00 C ATOM 966 CG GLN A 60 1.196 4.909 -11.117 1.00 0.00 C ATOM 967 CD GLN A 60 0.387 5.964 -10.389 1.00 0.00 C ATOM 968 OE1 GLN A 60 0.167 7.060 -10.906 1.00 0.00 O ATOM 969 NE2 GLN A 60 -0.060 5.639 -9.182 1.00 0.00 N ATOM 0 H GLN A 60 0.878 4.931 -14.010 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.834 2.783 -12.974 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.358 3.513 -10.651 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.041 2.797 -11.427 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.055 4.630 -10.507 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.587 5.331 -12.043 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.146 4.719 -8.792 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.610 6.309 -8.644 1.00 0.00 H new ATOM 978 N ILE A 61 -2.637 4.450 -12.545 1.00 0.00 N ATOM 979 CA ILE A 61 -3.735 5.408 -12.499 1.00 0.00 C ATOM 980 C ILE A 61 -3.854 6.041 -11.116 1.00 0.00 C ATOM 981 O ILE A 61 -3.895 7.263 -10.984 1.00 0.00 O ATOM 982 CB ILE A 61 -5.076 4.745 -12.864 1.00 0.00 C ATOM 983 CG1 ILE A 61 -4.958 4.008 -14.200 1.00 0.00 C ATOM 984 CG2 ILE A 61 -6.183 5.787 -12.924 1.00 0.00 C ATOM 985 CD1 ILE A 61 -6.185 3.198 -14.554 1.00 0.00 C ATOM 0 H ILE A 61 -2.916 3.480 -12.396 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.510 6.182 -13.233 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.328 4.019 -12.091 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.772 4.734 -14.991 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.093 3.346 -14.165 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.125 5.303 -13.183 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.279 6.272 -11.952 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.939 6.534 -13.679 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.030 2.703 -15.513 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.361 2.448 -13.783 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.050 3.858 -14.622 1.00 0.00 H new ATOM 997 N ASN A 62 -3.907 5.200 -10.089 1.00 0.00 N ATOM 998 CA ASN A 62 -4.020 5.677 -8.715 1.00 0.00 C ATOM 999 C ASN A 62 -2.935 5.064 -7.835 1.00 0.00 C ATOM 1000 O ASN A 62 -2.283 4.094 -8.221 1.00 0.00 O ATOM 1001 CB ASN A 62 -5.401 5.342 -8.149 1.00 0.00 C ATOM 1002 CG ASN A 62 -6.447 6.373 -8.528 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -6.413 7.510 -8.057 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -7.383 5.979 -9.384 1.00 0.00 N ATOM 0 H ASN A 62 -3.874 4.185 -10.182 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.890 6.759 -8.721 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.712 4.363 -8.513 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.339 5.274 -7.063 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.113 6.629 -9.676 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.372 5.027 -9.749 1.00 0.00 H new ATOM 1011 N ALA A 63 -2.747 5.637 -6.651 1.00 0.00 N ATOM 1012 CA ALA A 63 -1.744 5.145 -5.715 1.00 0.00 C ATOM 1013 C ALA A 63 -2.344 4.128 -4.751 1.00 0.00 C ATOM 1014 O ALA A 63 -1.654 3.225 -4.277 1.00 0.00 O ATOM 1015 CB ALA A 63 -1.127 6.304 -4.946 1.00 0.00 C ATOM 0 H ALA A 63 -3.276 6.443 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.962 4.646 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.380 5.922 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.654 6.993 -5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.905 6.828 -4.391 1.00 0.00 H new ATOM 1021 N SER A 64 -3.633 4.280 -4.464 1.00 0.00 N ATOM 1022 CA SER A 64 -4.325 3.376 -3.553 1.00 0.00 C ATOM 1023 C SER A 64 -4.771 2.110 -4.277 1.00 0.00 C ATOM 1024 O SER A 64 -4.718 1.013 -3.723 1.00 0.00 O ATOM 1025 CB SER A 64 -5.535 4.074 -2.930 1.00 0.00 C ATOM 1026 OG SER A 64 -5.131 5.136 -2.082 1.00 0.00 O ATOM 0 H SER A 64 -4.219 5.021 -4.849 1.00 0.00 H new ATOM 0 HA SER A 64 -3.629 3.095 -2.762 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.182 4.460 -3.718 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.121 3.353 -2.361 1.00 0.00 H new ATOM 0 HG SER A 64 -5.923 5.567 -1.698 1.00 0.00 H new ATOM 1032 N ALA A 65 -5.212 2.272 -5.521 1.00 0.00 N ATOM 1033 CA ALA A 65 -5.666 1.143 -6.323 1.00 0.00 C ATOM 1034 C ALA A 65 -4.505 0.222 -6.683 1.00 0.00 C ATOM 1035 O ALA A 65 -3.344 0.627 -6.640 1.00 0.00 O ATOM 1036 CB ALA A 65 -6.361 1.636 -7.583 1.00 0.00 C ATOM 0 H ALA A 65 -5.264 3.174 -5.994 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.378 0.571 -5.729 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.695 0.782 -8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.222 2.246 -7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.665 2.234 -8.172 1.00 0.00 H new ATOM 1042 N ALA A 66 -4.826 -1.018 -7.035 1.00 0.00 N ATOM 1043 CA ALA A 66 -3.809 -1.995 -7.403 1.00 0.00 C ATOM 1044 C ALA A 66 -2.981 -1.507 -8.587 1.00 0.00 C ATOM 1045 O ALA A 66 -3.490 -1.375 -9.699 1.00 0.00 O ATOM 1046 CB ALA A 66 -4.456 -3.334 -7.726 1.00 0.00 C ATOM 0 H ALA A 66 -5.783 -1.370 -7.073 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.139 -2.123 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.685 -4.054 -7.999 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.998 -3.696 -6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.149 -3.212 -8.558 1.00 0.00 H new ATOM 1052 N GLN A 67 -1.703 -1.239 -8.339 1.00 0.00 N ATOM 1053 CA GLN A 67 -0.806 -0.763 -9.385 1.00 0.00 C ATOM 1054 C GLN A 67 -0.070 -1.927 -10.041 1.00 0.00 C ATOM 1055 O GLN A 67 0.221 -2.934 -9.395 1.00 0.00 O ATOM 1056 CB GLN A 67 0.202 0.232 -8.808 1.00 0.00 C ATOM 1057 CG GLN A 67 -0.423 1.263 -7.882 1.00 0.00 C ATOM 1058 CD GLN A 67 0.602 2.201 -7.275 1.00 0.00 C ATOM 1059 OE1 GLN A 67 0.581 2.468 -6.073 1.00 0.00 O ATOM 1060 NE2 GLN A 67 1.507 2.706 -8.104 1.00 0.00 N ATOM 0 H GLN A 67 -1.266 -1.343 -7.423 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.407 -0.262 -10.144 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.970 -0.316 -8.262 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.701 0.748 -9.628 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.159 1.845 -8.437 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.959 0.751 -7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.487 2.458 -9.093 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.222 3.342 -7.752 1.00 0.00 H new ATOM 1069 N ILE A 68 0.228 -1.781 -11.328 1.00 0.00 N ATOM 1070 CA ILE A 68 0.931 -2.820 -12.071 1.00 0.00 C ATOM 1071 C ILE A 68 2.067 -2.230 -12.899 1.00 0.00 C ATOM 1072 O ILE A 68 1.853 -1.748 -14.012 1.00 0.00 O ATOM 1073 CB ILE A 68 -0.024 -3.588 -13.004 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -1.214 -4.136 -12.213 1.00 0.00 C ATOM 1075 CG2 ILE A 68 0.716 -4.716 -13.707 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -2.371 -3.167 -12.114 1.00 0.00 C ATOM 0 H ILE A 68 -0.006 -0.954 -11.877 1.00 0.00 H new ATOM 0 HA ILE A 68 1.342 -3.512 -11.335 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.401 -2.900 -13.761 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.560 -5.056 -12.684 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.883 -4.398 -11.208 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.028 -5.249 -14.363 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.533 -4.302 -14.298 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.118 -5.406 -12.965 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.178 -3.622 -11.540 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.041 -2.256 -11.616 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.729 -2.924 -13.115 1.00 0.00 H new ATOM 1088 N ILE A 69 3.276 -2.274 -12.350 1.00 0.00 N ATOM 1089 CA ILE A 69 4.448 -1.746 -13.039 1.00 0.00 C ATOM 1090 C ILE A 69 5.012 -2.766 -14.022 1.00 0.00 C ATOM 1091 O ILE A 69 5.522 -3.813 -13.623 1.00 0.00 O ATOM 1092 CB ILE A 69 5.552 -1.343 -12.044 1.00 0.00 C ATOM 1093 CG1 ILE A 69 5.014 -0.324 -11.037 1.00 0.00 C ATOM 1094 CG2 ILE A 69 6.753 -0.778 -12.787 1.00 0.00 C ATOM 1095 CD1 ILE A 69 4.367 -0.956 -9.825 1.00 0.00 C ATOM 0 H ILE A 69 3.470 -2.670 -11.430 1.00 0.00 H new ATOM 0 HA ILE A 69 4.122 -0.860 -13.584 1.00 0.00 H new ATOM 0 HB ILE A 69 5.871 -2.231 -11.498 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.832 0.317 -10.709 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.286 0.317 -11.535 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.525 -0.498 -12.071 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.147 -1.532 -13.468 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.449 0.101 -13.355 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.009 -0.175 -9.155 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.528 -1.575 -10.142 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.098 -1.575 -9.304 1.00 0.00 H new ATOM 1107 N VAL A 70 4.919 -2.452 -15.310 1.00 0.00 N ATOM 1108 CA VAL A 70 5.423 -3.340 -16.352 1.00 0.00 C ATOM 1109 C VAL A 70 6.939 -3.483 -16.265 1.00 0.00 C ATOM 1110 O VAL A 70 7.662 -2.493 -16.148 1.00 0.00 O ATOM 1111 CB VAL A 70 5.046 -2.829 -17.755 1.00 0.00 C ATOM 1112 CG1 VAL A 70 5.597 -3.757 -18.827 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.537 -2.689 -17.883 1.00 0.00 C ATOM 0 H VAL A 70 4.499 -1.590 -15.657 1.00 0.00 H new ATOM 0 HA VAL A 70 4.959 -4.313 -16.191 1.00 0.00 H new ATOM 0 HB VAL A 70 5.492 -1.845 -17.896 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.321 -3.380 -19.812 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.683 -3.801 -18.747 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.182 -4.756 -18.692 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.289 -2.327 -18.881 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.067 -3.659 -17.721 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.173 -1.981 -17.139 1.00 0.00 H new ATOM 1123 N THR A 71 7.415 -4.723 -16.324 1.00 0.00 N ATOM 1124 CA THR A 71 8.844 -4.997 -16.252 1.00 0.00 C ATOM 1125 C THR A 71 9.381 -5.478 -17.596 1.00 0.00 C ATOM 1126 O THR A 71 9.513 -6.680 -17.828 1.00 0.00 O ATOM 1127 CB THR A 71 9.160 -6.055 -15.178 1.00 0.00 C ATOM 1128 OG1 THR A 71 8.248 -7.154 -15.290 1.00 0.00 O ATOM 1129 CG2 THR A 71 9.069 -5.454 -13.783 1.00 0.00 C ATOM 0 H THR A 71 6.831 -5.553 -16.422 1.00 0.00 H new ATOM 0 HA THR A 71 9.332 -4.060 -15.983 1.00 0.00 H new ATOM 0 HB THR A 71 10.178 -6.410 -15.338 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.260 -7.496 -16.208 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.296 -6.220 -13.041 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.784 -4.637 -13.692 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.061 -5.074 -13.615 1.00 0.00 H new ATOM 1137 N ASP A 72 9.688 -4.533 -18.477 1.00 0.00 N ATOM 1138 CA ASP A 72 10.212 -4.860 -19.798 1.00 0.00 C ATOM 1139 C ASP A 72 11.424 -5.781 -19.689 1.00 0.00 C ATOM 1140 O ASP A 72 12.532 -5.332 -19.393 1.00 0.00 O ATOM 1141 CB ASP A 72 10.592 -3.584 -20.550 1.00 0.00 C ATOM 1142 CG ASP A 72 11.433 -3.865 -21.780 1.00 0.00 C ATOM 1143 OD1 ASP A 72 10.853 -4.230 -22.824 1.00 0.00 O ATOM 1144 OD2 ASP A 72 12.671 -3.722 -21.698 1.00 0.00 O ATOM 0 H ASP A 72 9.583 -3.534 -18.301 1.00 0.00 H new ATOM 0 HA ASP A 72 9.431 -5.380 -20.353 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.685 -3.057 -20.846 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.142 -2.922 -19.881 1.00 0.00 H new TER 1149 ASP A 72