USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 614 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 37 ASN : amide:sc= 0.981 K(o=0.98,f=-0.0042) USER MOD Set 1.2: A 59 ASN : amide:sc=-0.00585 X(o=0.98,f=0.97) USER MOD Set 2.1: A 23 HIS : no HD1:sc= 0.807 K(o=2.6,f=-6.5!) USER MOD Set 2.2: A 75 LYS NZ :NH3+ 143:sc= 1.82 (180deg=1.1) USER MOD Single : A 1 SER N :NH3+ 130:sc= 0.0517 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 29:sc= 0.619 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 29 GLN : amide:sc= 0.72 K(o=0.72,f=-0.0097) USER MOD Single : A 33 TYR OH : rot -166:sc= 0.538 USER MOD Single : A 35 THR OG1 : rot -67:sc= 0.293 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -142:sc= -1.43 USER MOD Single : A 61 MET CE :methyl 176:sc= 0 (180deg=-0.0441) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -161:sc= 1.24 (180deg=1.01) USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= 1.86 (180deg=1.68) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.776 4.419 -46.587 1.00 0.00 N ATOM 2 CA SER A 1 -13.033 3.717 -45.514 1.00 0.00 C ATOM 3 C SER A 1 -13.976 3.150 -44.454 1.00 0.00 C ATOM 4 O SER A 1 -15.074 3.674 -44.250 1.00 0.00 O ATOM 5 CB SER A 1 -12.003 4.642 -44.859 1.00 0.00 C ATOM 6 OG SER A 1 -11.139 5.164 -45.858 1.00 0.00 O ATOM 0 H1 SER A 1 -13.358 5.359 -46.741 1.00 0.00 H new ATOM 0 H2 SER A 1 -13.720 3.867 -47.466 1.00 0.00 H new ATOM 0 H3 SER A 1 -14.772 4.525 -46.307 1.00 0.00 H new ATOM 0 HA SER A 1 -12.508 2.885 -45.982 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.507 5.455 -44.337 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.427 4.094 -44.114 1.00 0.00 H new ATOM 0 HG SER A 1 -10.480 5.758 -45.442 1.00 0.00 H new ATOM 14 N MET A 2 -13.559 2.085 -43.758 1.00 0.00 N ATOM 15 CA MET A 2 -14.317 1.477 -42.649 1.00 0.00 C ATOM 16 C MET A 2 -14.254 2.330 -41.366 1.00 0.00 C ATOM 17 O MET A 2 -13.297 3.081 -41.150 1.00 0.00 O ATOM 18 CB MET A 2 -13.810 0.050 -42.376 1.00 0.00 C ATOM 19 CG MET A 2 -14.061 -0.895 -43.558 1.00 0.00 C ATOM 20 SD MET A 2 -13.533 -2.604 -43.252 1.00 0.00 S ATOM 21 CE MET A 2 -14.002 -3.350 -44.838 1.00 0.00 C ATOM 0 H MET A 2 -12.675 1.613 -43.949 1.00 0.00 H new ATOM 0 HA MET A 2 -15.363 1.432 -42.953 1.00 0.00 H new ATOM 0 HB2 MET A 2 -12.742 0.082 -42.160 1.00 0.00 H new ATOM 0 HB3 MET A 2 -14.303 -0.344 -41.488 1.00 0.00 H new ATOM 0 HG2 MET A 2 -15.125 -0.890 -43.796 1.00 0.00 H new ATOM 0 HG3 MET A 2 -13.537 -0.514 -44.434 1.00 0.00 H new ATOM 0 HE1 MET A 2 -13.749 -4.410 -44.831 1.00 0.00 H new ATOM 0 HE2 MET A 2 -15.075 -3.234 -44.991 1.00 0.00 H new ATOM 0 HE3 MET A 2 -13.465 -2.854 -45.646 1.00 0.00 H new ATOM 31 N ALA A 3 -15.261 2.196 -40.496 1.00 0.00 N ATOM 32 CA ALA A 3 -15.371 2.956 -39.245 1.00 0.00 C ATOM 33 C ALA A 3 -14.423 2.473 -38.123 1.00 0.00 C ATOM 34 O ALA A 3 -14.145 3.232 -37.195 1.00 0.00 O ATOM 35 CB ALA A 3 -16.836 2.904 -38.790 1.00 0.00 C ATOM 0 H ALA A 3 -16.034 1.547 -40.643 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.055 3.980 -39.446 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -16.948 3.462 -37.860 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -17.471 3.346 -39.557 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -17.130 1.867 -38.629 1.00 0.00 H new ATOM 41 N ASP A 4 -13.936 1.225 -38.197 1.00 0.00 N ATOM 42 CA ASP A 4 -13.074 0.503 -37.230 1.00 0.00 C ATOM 43 C ASP A 4 -13.653 0.286 -35.807 1.00 0.00 C ATOM 44 O ASP A 4 -13.312 -0.697 -35.145 1.00 0.00 O ATOM 45 CB ASP A 4 -11.678 1.150 -37.205 1.00 0.00 C ATOM 46 CG ASP A 4 -10.647 0.297 -36.446 1.00 0.00 C ATOM 47 OD1 ASP A 4 -10.265 -0.785 -36.955 1.00 0.00 O ATOM 48 OD2 ASP A 4 -10.188 0.720 -35.357 1.00 0.00 O ATOM 0 H ASP A 4 -14.150 0.638 -39.003 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.011 -0.519 -37.605 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.334 1.305 -38.228 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.745 2.133 -36.739 1.00 0.00 H new ATOM 53 N ARG A 5 -14.563 1.156 -35.355 1.00 0.00 N ATOM 54 CA ARG A 5 -15.298 1.115 -34.078 1.00 0.00 C ATOM 55 C ARG A 5 -16.805 1.295 -34.312 1.00 0.00 C ATOM 56 O ARG A 5 -17.233 1.669 -35.407 1.00 0.00 O ATOM 57 CB ARG A 5 -14.746 2.207 -33.137 1.00 0.00 C ATOM 58 CG ARG A 5 -13.277 1.975 -32.737 1.00 0.00 C ATOM 59 CD ARG A 5 -12.749 3.074 -31.805 1.00 0.00 C ATOM 60 NE ARG A 5 -13.394 3.043 -30.475 1.00 0.00 N ATOM 61 CZ ARG A 5 -13.272 3.947 -29.519 1.00 0.00 C ATOM 62 NH1 ARG A 5 -12.531 5.010 -29.658 1.00 0.00 N ATOM 63 NH2 ARG A 5 -13.899 3.798 -28.387 1.00 0.00 N ATOM 0 H ARG A 5 -14.827 1.969 -35.911 1.00 0.00 H new ATOM 0 HA ARG A 5 -15.155 0.141 -33.610 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.834 3.177 -33.625 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -15.359 2.246 -32.237 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.185 1.007 -32.243 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.660 1.935 -33.635 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.672 2.959 -31.686 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.917 4.048 -32.265 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.994 2.243 -30.275 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.021 5.166 -30.527 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.461 5.686 -28.897 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.488 2.980 -28.234 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.800 4.500 -27.653 1.00 0.00 H new ATOM 77 N VAL A 6 -17.617 1.069 -33.276 1.00 0.00 N ATOM 78 CA VAL A 6 -19.080 1.272 -33.310 1.00 0.00 C ATOM 79 C VAL A 6 -19.401 2.765 -33.129 1.00 0.00 C ATOM 80 O VAL A 6 -19.762 3.229 -32.046 1.00 0.00 O ATOM 81 CB VAL A 6 -19.810 0.365 -32.293 1.00 0.00 C ATOM 82 CG1 VAL A 6 -21.334 0.432 -32.478 1.00 0.00 C ATOM 83 CG2 VAL A 6 -19.405 -1.109 -32.453 1.00 0.00 C ATOM 0 H VAL A 6 -17.278 0.735 -32.374 1.00 0.00 H new ATOM 0 HA VAL A 6 -19.458 0.970 -34.287 1.00 0.00 H new ATOM 0 HB VAL A 6 -19.524 0.732 -31.307 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -21.818 -0.217 -31.748 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -21.673 1.458 -32.333 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -21.593 0.103 -33.484 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -19.939 -1.715 -31.721 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -19.657 -1.449 -33.458 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -18.331 -1.211 -32.294 1.00 0.00 H new ATOM 93 N LEU A 7 -19.225 3.533 -34.208 1.00 0.00 N ATOM 94 CA LEU A 7 -19.394 4.997 -34.251 1.00 0.00 C ATOM 95 C LEU A 7 -20.833 5.451 -34.581 1.00 0.00 C ATOM 96 O LEU A 7 -21.088 6.650 -34.723 1.00 0.00 O ATOM 97 CB LEU A 7 -18.357 5.608 -35.220 1.00 0.00 C ATOM 98 CG LEU A 7 -16.877 5.321 -34.891 1.00 0.00 C ATOM 99 CD1 LEU A 7 -15.979 6.034 -35.902 1.00 0.00 C ATOM 100 CD2 LEU A 7 -16.478 5.787 -33.488 1.00 0.00 C ATOM 0 H LEU A 7 -18.951 3.143 -35.110 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.213 5.374 -33.244 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -18.564 5.238 -36.224 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -18.501 6.688 -35.242 1.00 0.00 H new ATOM 0 HG LEU A 7 -16.751 4.239 -34.938 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.934 5.830 -35.668 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -16.203 5.673 -36.906 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -16.159 7.108 -35.854 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.427 5.558 -33.314 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -16.634 6.862 -33.404 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -17.089 5.272 -32.746 1.00 0.00 H new ATOM 112 N ARG A 8 -21.789 4.516 -34.702 1.00 0.00 N ATOM 113 CA ARG A 8 -23.200 4.770 -35.053 1.00 0.00 C ATOM 114 C ARG A 8 -24.010 5.315 -33.861 1.00 0.00 C ATOM 115 O ARG A 8 -24.895 4.647 -33.325 1.00 0.00 O ATOM 116 CB ARG A 8 -23.797 3.509 -35.711 1.00 0.00 C ATOM 117 CG ARG A 8 -25.117 3.808 -36.448 1.00 0.00 C ATOM 118 CD ARG A 8 -25.725 2.552 -37.086 1.00 0.00 C ATOM 119 NE ARG A 8 -24.906 2.038 -38.204 1.00 0.00 N ATOM 120 CZ ARG A 8 -25.097 0.910 -38.866 1.00 0.00 C ATOM 121 NH1 ARG A 8 -26.075 0.094 -38.585 1.00 0.00 N ATOM 122 NH2 ARG A 8 -24.297 0.573 -39.838 1.00 0.00 N ATOM 0 H ARG A 8 -21.596 3.526 -34.553 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.254 5.571 -35.790 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.076 3.092 -36.414 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -23.972 2.751 -34.948 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -25.832 4.239 -35.747 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.938 4.555 -37.221 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -25.829 1.776 -36.328 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -26.728 2.780 -37.448 1.00 0.00 H new ATOM 0 HE ARG A 8 -24.114 2.611 -38.494 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -26.725 0.317 -37.831 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -26.190 -0.768 -39.119 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -23.518 1.181 -40.092 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -24.450 -0.299 -40.345 1.00 0.00 H new ATOM 136 N GLY A 9 -23.676 6.535 -33.435 1.00 0.00 N ATOM 137 CA GLY A 9 -24.412 7.300 -32.421 1.00 0.00 C ATOM 138 C GLY A 9 -25.803 7.758 -32.887 1.00 0.00 C ATOM 139 O GLY A 9 -26.183 7.559 -34.043 1.00 0.00 O ATOM 0 H GLY A 9 -22.863 7.034 -33.795 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -24.521 6.689 -31.525 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -23.825 8.175 -32.141 1.00 0.00 H new ATOM 143 N SER A 10 -26.561 8.396 -31.989 1.00 0.00 N ATOM 144 CA SER A 10 -28.015 8.639 -32.113 1.00 0.00 C ATOM 145 C SER A 10 -28.466 9.392 -33.376 1.00 0.00 C ATOM 146 O SER A 10 -29.588 9.185 -33.843 1.00 0.00 O ATOM 147 CB SER A 10 -28.507 9.410 -30.881 1.00 0.00 C ATOM 148 OG SER A 10 -28.114 8.746 -29.686 1.00 0.00 O ATOM 0 H SER A 10 -26.173 8.773 -31.124 1.00 0.00 H new ATOM 0 HA SER A 10 -28.458 7.646 -32.192 1.00 0.00 H new ATOM 0 HB2 SER A 10 -28.101 10.421 -30.892 1.00 0.00 H new ATOM 0 HB3 SER A 10 -29.593 9.502 -30.912 1.00 0.00 H new ATOM 0 HG SER A 10 -28.434 9.252 -28.910 1.00 0.00 H new ATOM 154 N ARG A 11 -27.596 10.216 -33.979 1.00 0.00 N ATOM 155 CA ARG A 11 -27.819 10.901 -35.273 1.00 0.00 C ATOM 156 C ARG A 11 -27.496 9.999 -36.481 1.00 0.00 C ATOM 157 O ARG A 11 -26.867 10.449 -37.436 1.00 0.00 O ATOM 158 CB ARG A 11 -27.038 12.231 -35.324 1.00 0.00 C ATOM 159 CG ARG A 11 -27.314 13.197 -34.162 1.00 0.00 C ATOM 160 CD ARG A 11 -26.532 14.498 -34.392 1.00 0.00 C ATOM 161 NE ARG A 11 -26.267 15.221 -33.132 1.00 0.00 N ATOM 162 CZ ARG A 11 -25.241 16.019 -32.896 1.00 0.00 C ATOM 163 NH1 ARG A 11 -24.384 16.348 -33.820 1.00 0.00 N ATOM 164 NH2 ARG A 11 -25.018 16.500 -31.710 1.00 0.00 N ATOM 0 H ARG A 11 -26.687 10.435 -33.571 1.00 0.00 H new ATOM 0 HA ARG A 11 -28.883 11.129 -35.343 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -25.971 12.007 -35.343 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -27.275 12.737 -36.260 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -28.381 13.407 -34.094 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -27.017 12.742 -33.217 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -25.586 14.269 -34.883 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -27.094 15.143 -35.067 1.00 0.00 H new ATOM 0 HE ARG A 11 -26.938 15.092 -32.374 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -24.492 15.986 -34.768 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -23.605 16.967 -33.596 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -25.641 16.263 -30.938 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -24.220 17.114 -31.551 1.00 0.00 H new ATOM 178 N LEU A 12 -27.817 8.703 -36.404 1.00 0.00 N ATOM 179 CA LEU A 12 -27.438 7.640 -37.358 1.00 0.00 C ATOM 180 C LEU A 12 -25.931 7.588 -37.718 1.00 0.00 C ATOM 181 O LEU A 12 -25.544 7.187 -38.816 1.00 0.00 O ATOM 182 CB LEU A 12 -28.452 7.524 -38.525 1.00 0.00 C ATOM 183 CG LEU A 12 -28.688 8.733 -39.459 1.00 0.00 C ATOM 184 CD1 LEU A 12 -27.506 9.072 -40.370 1.00 0.00 C ATOM 185 CD2 LEU A 12 -29.879 8.429 -40.372 1.00 0.00 C ATOM 0 H LEU A 12 -28.379 8.341 -35.634 1.00 0.00 H new ATOM 0 HA LEU A 12 -27.534 6.691 -36.831 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -28.136 6.688 -39.149 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -29.416 7.253 -38.093 1.00 0.00 H new ATOM 0 HG LEU A 12 -28.853 9.585 -38.800 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -27.759 9.932 -40.990 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -26.633 9.308 -39.761 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -27.282 8.218 -41.009 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -30.054 9.276 -41.035 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -29.664 7.541 -40.966 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -30.767 8.254 -39.765 1.00 0.00 H new ATOM 197 N GLY A 13 -25.070 7.989 -36.774 1.00 0.00 N ATOM 198 CA GLY A 13 -23.612 8.099 -36.933 1.00 0.00 C ATOM 199 C GLY A 13 -23.079 9.487 -37.321 1.00 0.00 C ATOM 200 O GLY A 13 -21.867 9.697 -37.280 1.00 0.00 O ATOM 0 H GLY A 13 -25.382 8.257 -35.840 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -23.141 7.800 -35.997 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -23.294 7.385 -37.692 1.00 0.00 H new ATOM 204 N ALA A 14 -23.944 10.464 -37.620 1.00 0.00 N ATOM 205 CA ALA A 14 -23.570 11.856 -37.917 1.00 0.00 C ATOM 206 C ALA A 14 -23.363 12.716 -36.642 1.00 0.00 C ATOM 207 O ALA A 14 -23.722 13.896 -36.598 1.00 0.00 O ATOM 208 CB ALA A 14 -24.596 12.440 -38.900 1.00 0.00 C ATOM 0 H ALA A 14 -24.951 10.306 -37.664 1.00 0.00 H new ATOM 0 HA ALA A 14 -22.590 11.870 -38.394 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -24.333 13.472 -39.130 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -24.596 11.852 -39.818 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -25.588 12.411 -38.450 1.00 0.00 H new ATOM 214 N VAL A 15 -22.831 12.114 -35.572 1.00 0.00 N ATOM 215 CA VAL A 15 -22.664 12.739 -34.246 1.00 0.00 C ATOM 216 C VAL A 15 -21.417 13.622 -34.152 1.00 0.00 C ATOM 217 O VAL A 15 -20.345 13.286 -34.657 1.00 0.00 O ATOM 218 CB VAL A 15 -22.710 11.706 -33.100 1.00 0.00 C ATOM 219 CG1 VAL A 15 -24.121 11.124 -32.963 1.00 0.00 C ATOM 220 CG2 VAL A 15 -21.721 10.543 -33.263 1.00 0.00 C ATOM 0 H VAL A 15 -22.494 11.152 -35.601 1.00 0.00 H new ATOM 0 HA VAL A 15 -23.523 13.399 -34.125 1.00 0.00 H new ATOM 0 HB VAL A 15 -22.419 12.257 -32.206 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -24.138 10.397 -32.151 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -24.826 11.926 -32.746 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -24.404 10.634 -33.894 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -21.817 9.863 -32.417 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -21.939 10.007 -34.186 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -20.704 10.933 -33.302 1.00 0.00 H new ATOM 230 N SER A 16 -21.582 14.774 -33.498 1.00 0.00 N ATOM 231 CA SER A 16 -20.554 15.792 -33.232 1.00 0.00 C ATOM 232 C SER A 16 -21.033 16.736 -32.121 1.00 0.00 C ATOM 233 O SER A 16 -22.174 17.209 -32.159 1.00 0.00 O ATOM 234 CB SER A 16 -20.287 16.622 -34.495 1.00 0.00 C ATOM 235 OG SER A 16 -19.417 15.936 -35.382 1.00 0.00 O ATOM 0 H SER A 16 -22.489 15.040 -33.116 1.00 0.00 H new ATOM 0 HA SER A 16 -19.639 15.285 -32.926 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.229 16.837 -34.999 1.00 0.00 H new ATOM 0 HB3 SER A 16 -19.848 17.580 -34.218 1.00 0.00 H new ATOM 0 HG SER A 16 -19.529 14.969 -35.267 1.00 0.00 H new ATOM 241 N TYR A 17 -20.180 16.999 -31.130 1.00 0.00 N ATOM 242 CA TYR A 17 -20.463 17.863 -29.976 1.00 0.00 C ATOM 243 C TYR A 17 -19.172 18.426 -29.357 1.00 0.00 C ATOM 244 O TYR A 17 -18.070 17.950 -29.638 1.00 0.00 O ATOM 245 CB TYR A 17 -21.299 17.092 -28.933 1.00 0.00 C ATOM 246 CG TYR A 17 -20.660 15.834 -28.366 1.00 0.00 C ATOM 247 CD1 TYR A 17 -20.787 14.608 -29.051 1.00 0.00 C ATOM 248 CD2 TYR A 17 -19.971 15.881 -27.136 1.00 0.00 C ATOM 249 CE1 TYR A 17 -20.213 13.437 -28.520 1.00 0.00 C ATOM 250 CE2 TYR A 17 -19.410 14.708 -26.596 1.00 0.00 C ATOM 251 CZ TYR A 17 -19.523 13.482 -27.290 1.00 0.00 C ATOM 252 OH TYR A 17 -18.980 12.343 -26.777 1.00 0.00 O ATOM 0 H TYR A 17 -19.240 16.604 -31.105 1.00 0.00 H new ATOM 0 HA TYR A 17 -21.043 18.718 -30.323 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -21.524 17.766 -28.106 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -22.251 16.819 -29.389 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -21.326 14.567 -29.986 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -19.874 16.818 -26.608 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -20.301 12.503 -29.055 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -18.892 14.745 -25.649 1.00 0.00 H new ATOM 0 HH TYR A 17 -18.539 12.546 -25.926 1.00 0.00 H new ATOM 262 N GLU A 18 -19.301 19.455 -28.513 1.00 0.00 N ATOM 263 CA GLU A 18 -18.171 20.100 -27.832 1.00 0.00 C ATOM 264 C GLU A 18 -17.567 19.172 -26.761 1.00 0.00 C ATOM 265 O GLU A 18 -18.143 18.965 -25.689 1.00 0.00 O ATOM 266 CB GLU A 18 -18.630 21.455 -27.259 1.00 0.00 C ATOM 267 CG GLU A 18 -17.510 22.251 -26.571 1.00 0.00 C ATOM 268 CD GLU A 18 -16.622 22.987 -27.587 1.00 0.00 C ATOM 269 OE1 GLU A 18 -15.750 22.349 -28.220 1.00 0.00 O ATOM 270 OE2 GLU A 18 -16.749 24.223 -27.743 1.00 0.00 O ATOM 0 H GLU A 18 -20.204 19.869 -28.280 1.00 0.00 H new ATOM 0 HA GLU A 18 -17.371 20.292 -28.547 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -19.047 22.057 -28.066 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -19.433 21.282 -26.542 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -17.948 22.973 -25.882 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.897 21.574 -25.976 1.00 0.00 H new ATOM 277 N THR A 19 -16.398 18.603 -27.063 1.00 0.00 N ATOM 278 CA THR A 19 -15.606 17.745 -26.163 1.00 0.00 C ATOM 279 C THR A 19 -14.107 17.808 -26.500 1.00 0.00 C ATOM 280 O THR A 19 -13.721 18.233 -27.594 1.00 0.00 O ATOM 281 CB THR A 19 -16.139 16.300 -26.196 1.00 0.00 C ATOM 282 OG1 THR A 19 -15.607 15.546 -25.125 1.00 0.00 O ATOM 283 CG2 THR A 19 -15.843 15.544 -27.495 1.00 0.00 C ATOM 0 H THR A 19 -15.956 18.728 -27.974 1.00 0.00 H new ATOM 0 HA THR A 19 -15.715 18.121 -25.146 1.00 0.00 H new ATOM 0 HB THR A 19 -17.221 16.405 -26.114 1.00 0.00 H new ATOM 0 HG1 THR A 19 -15.958 14.632 -25.162 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.254 14.536 -27.431 1.00 0.00 H new ATOM 0 HG22 THR A 19 -16.299 16.069 -28.334 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.765 15.488 -27.646 1.00 0.00 H new ATOM 291 N ASP A 20 -13.244 17.405 -25.566 1.00 0.00 N ATOM 292 CA ASP A 20 -11.785 17.431 -25.729 1.00 0.00 C ATOM 293 C ASP A 20 -11.290 16.332 -26.690 1.00 0.00 C ATOM 294 O ASP A 20 -11.572 15.144 -26.497 1.00 0.00 O ATOM 295 CB ASP A 20 -11.096 17.306 -24.362 1.00 0.00 C ATOM 296 CG ASP A 20 -11.367 18.521 -23.461 1.00 0.00 C ATOM 297 OD1 ASP A 20 -10.751 19.591 -23.686 1.00 0.00 O ATOM 298 OD2 ASP A 20 -12.186 18.409 -22.515 1.00 0.00 O ATOM 0 H ASP A 20 -13.542 17.045 -24.659 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.521 18.390 -26.175 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.444 16.401 -23.863 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.021 17.196 -24.508 1.00 0.00 H new ATOM 303 N ARG A 21 -10.518 16.731 -27.713 1.00 0.00 N ATOM 304 CA ARG A 21 -9.856 15.830 -28.683 1.00 0.00 C ATOM 305 C ARG A 21 -8.567 16.444 -29.244 1.00 0.00 C ATOM 306 O ARG A 21 -7.504 15.831 -29.151 1.00 0.00 O ATOM 307 CB ARG A 21 -10.852 15.467 -29.803 1.00 0.00 C ATOM 308 CG ARG A 21 -10.301 14.390 -30.753 1.00 0.00 C ATOM 309 CD ARG A 21 -11.348 13.945 -31.783 1.00 0.00 C ATOM 310 NE ARG A 21 -11.639 14.996 -32.781 1.00 0.00 N ATOM 311 CZ ARG A 21 -11.026 15.198 -33.936 1.00 0.00 C ATOM 312 NH1 ARG A 21 -10.015 14.475 -34.328 1.00 0.00 N ATOM 313 NH2 ARG A 21 -11.431 16.143 -34.736 1.00 0.00 N ATOM 0 H ARG A 21 -10.329 17.716 -27.898 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.558 14.917 -28.168 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.782 15.113 -29.358 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.093 16.363 -30.375 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.424 14.778 -31.271 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.973 13.527 -30.173 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.993 13.050 -32.295 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.269 13.673 -31.267 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.398 15.638 -32.553 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.668 13.720 -33.736 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.571 14.664 -35.226 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.223 16.730 -34.473 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.956 16.296 -35.626 1.00 0.00 H new ATOM 327 N ASN A 22 -8.664 17.672 -29.761 1.00 0.00 N ATOM 328 CA ASN A 22 -7.541 18.498 -30.223 1.00 0.00 C ATOM 329 C ASN A 22 -7.317 19.696 -29.277 1.00 0.00 C ATOM 330 O ASN A 22 -8.245 20.141 -28.596 1.00 0.00 O ATOM 331 CB ASN A 22 -7.805 18.956 -31.673 1.00 0.00 C ATOM 332 CG ASN A 22 -7.778 17.846 -32.718 1.00 0.00 C ATOM 333 OD1 ASN A 22 -7.488 16.686 -32.460 1.00 0.00 O ATOM 334 ND2 ASN A 22 -8.068 18.177 -33.956 1.00 0.00 N ATOM 0 H ASN A 22 -9.564 18.139 -29.875 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.626 17.906 -30.209 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.778 19.446 -31.711 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.060 19.705 -31.942 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.050 17.470 -34.691 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.311 19.141 -34.182 1.00 0.00 H new ATOM 341 N HIS A 23 -6.091 20.235 -29.256 1.00 0.00 N ATOM 342 CA HIS A 23 -5.680 21.366 -28.399 1.00 0.00 C ATOM 343 C HIS A 23 -5.193 22.606 -29.175 1.00 0.00 C ATOM 344 O HIS A 23 -4.779 23.593 -28.565 1.00 0.00 O ATOM 345 CB HIS A 23 -4.628 20.874 -27.389 1.00 0.00 C ATOM 346 CG HIS A 23 -3.320 20.448 -28.018 1.00 0.00 C ATOM 347 ND1 HIS A 23 -2.250 21.296 -28.324 1.00 0.00 N ATOM 348 CD2 HIS A 23 -2.996 19.177 -28.391 1.00 0.00 C ATOM 349 CE1 HIS A 23 -1.307 20.511 -28.879 1.00 0.00 C ATOM 350 NE2 HIS A 23 -1.729 19.237 -28.930 1.00 0.00 N ATOM 0 H HIS A 23 -5.335 19.891 -29.848 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.569 21.712 -27.872 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.431 21.669 -26.670 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.041 20.034 -26.831 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.612 18.296 -28.285 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -0.347 20.857 -29.233 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -1.202 18.448 -29.304 1.00 0.00 H new ATOM 358 N ASP A 24 -5.215 22.574 -30.510 1.00 0.00 N ATOM 359 CA ASP A 24 -4.736 23.665 -31.373 1.00 0.00 C ATOM 360 C ASP A 24 -5.745 24.833 -31.484 1.00 0.00 C ATOM 361 O ASP A 24 -6.875 24.765 -30.989 1.00 0.00 O ATOM 362 CB ASP A 24 -4.381 23.092 -32.761 1.00 0.00 C ATOM 363 CG ASP A 24 -3.155 23.769 -33.401 1.00 0.00 C ATOM 364 OD1 ASP A 24 -2.925 24.984 -33.185 1.00 0.00 O ATOM 365 OD2 ASP A 24 -2.396 23.090 -34.132 1.00 0.00 O ATOM 0 H ASP A 24 -5.572 21.775 -31.034 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.844 24.092 -30.914 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.190 22.023 -32.668 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.238 23.206 -33.424 1.00 0.00 H new ATOM 370 N LEU A 25 -5.346 25.901 -32.177 1.00 0.00 N ATOM 371 CA LEU A 25 -6.207 27.019 -32.562 1.00 0.00 C ATOM 372 C LEU A 25 -7.306 26.537 -33.523 1.00 0.00 C ATOM 373 O LEU A 25 -7.036 25.850 -34.513 1.00 0.00 O ATOM 374 CB LEU A 25 -5.367 28.140 -33.202 1.00 0.00 C ATOM 375 CG LEU A 25 -4.256 28.727 -32.311 1.00 0.00 C ATOM 376 CD1 LEU A 25 -3.509 29.806 -33.092 1.00 0.00 C ATOM 377 CD2 LEU A 25 -4.796 29.358 -31.025 1.00 0.00 C ATOM 0 H LEU A 25 -4.384 26.015 -32.496 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.688 27.421 -31.670 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.911 27.753 -34.114 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.036 28.948 -33.498 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.601 27.901 -32.031 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.721 30.227 -32.468 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.068 29.368 -33.987 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.204 30.595 -33.379 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.967 29.754 -30.438 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.482 30.167 -31.277 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.324 28.603 -30.443 1.00 0.00 H new ATOM 389 N ALA A 26 -8.550 26.896 -33.210 1.00 0.00 N ATOM 390 CA ALA A 26 -9.767 26.406 -33.858 1.00 0.00 C ATOM 391 C ALA A 26 -10.890 27.478 -33.854 1.00 0.00 C ATOM 392 O ALA A 26 -10.734 28.497 -33.171 1.00 0.00 O ATOM 393 CB ALA A 26 -10.173 25.125 -33.111 1.00 0.00 C ATOM 0 H ALA A 26 -8.746 27.565 -32.466 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.591 26.189 -34.911 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.080 24.716 -33.556 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.370 24.391 -33.184 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.357 25.358 -32.062 1.00 0.00 H new ATOM 399 N PRO A 27 -12.016 27.287 -34.581 1.00 0.00 N ATOM 400 CA PRO A 27 -13.133 28.246 -34.663 1.00 0.00 C ATOM 401 C PRO A 27 -13.933 28.422 -33.349 1.00 0.00 C ATOM 402 O PRO A 27 -15.076 27.972 -33.218 1.00 0.00 O ATOM 403 CB PRO A 27 -13.997 27.782 -35.851 1.00 0.00 C ATOM 404 CG PRO A 27 -13.035 26.950 -36.692 1.00 0.00 C ATOM 405 CD PRO A 27 -12.192 26.275 -35.617 1.00 0.00 C ATOM 0 HA PRO A 27 -12.748 29.253 -34.823 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.852 27.193 -35.519 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.392 28.628 -36.413 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.558 26.226 -37.317 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.432 27.568 -37.357 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.691 25.390 -35.223 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.232 25.948 -36.016 1.00 0.00 H new ATOM 413 N ARG A 28 -13.322 29.072 -32.351 1.00 0.00 N ATOM 414 CA ARG A 28 -13.901 29.372 -31.034 1.00 0.00 C ATOM 415 C ARG A 28 -13.540 30.757 -30.473 1.00 0.00 C ATOM 416 O ARG A 28 -12.636 31.433 -30.962 1.00 0.00 O ATOM 417 CB ARG A 28 -13.572 28.221 -30.073 1.00 0.00 C ATOM 418 CG ARG A 28 -12.079 28.012 -29.783 1.00 0.00 C ATOM 419 CD ARG A 28 -11.867 27.008 -28.641 1.00 0.00 C ATOM 420 NE ARG A 28 -12.222 25.621 -29.020 1.00 0.00 N ATOM 421 CZ ARG A 28 -13.354 24.981 -28.772 1.00 0.00 C ATOM 422 NH1 ARG A 28 -14.369 25.552 -28.194 1.00 0.00 N ATOM 423 NH2 ARG A 28 -13.498 23.733 -29.103 1.00 0.00 N ATOM 0 H ARG A 28 -12.367 29.419 -32.443 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.982 29.440 -31.156 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.087 28.400 -29.129 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.977 27.298 -30.487 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.578 27.654 -30.683 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.620 28.966 -29.521 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.824 27.038 -28.327 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.467 27.310 -27.783 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.511 25.098 -29.532 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.311 26.531 -27.913 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.223 25.021 -28.022 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.734 23.235 -29.559 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.375 23.251 -28.906 1.00 0.00 H new ATOM 437 N GLN A 29 -14.279 31.164 -29.439 1.00 0.00 N ATOM 438 CA GLN A 29 -14.280 32.477 -28.785 1.00 0.00 C ATOM 439 C GLN A 29 -14.218 32.289 -27.265 1.00 0.00 C ATOM 440 O GLN A 29 -15.196 31.907 -26.623 1.00 0.00 O ATOM 441 CB GLN A 29 -15.565 33.254 -29.130 1.00 0.00 C ATOM 442 CG GLN A 29 -15.837 33.444 -30.632 1.00 0.00 C ATOM 443 CD GLN A 29 -17.224 32.946 -31.010 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.042 33.651 -31.583 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.514 31.705 -30.687 1.00 0.00 N ATOM 0 H GLN A 29 -14.948 30.532 -29.000 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.414 33.038 -29.137 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.414 32.734 -28.687 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.513 34.236 -28.660 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.744 34.499 -30.890 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.085 32.907 -31.211 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.822 31.127 -30.209 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.431 31.320 -30.914 1.00 0.00 H new ATOM 454 N ILE A 30 -13.055 32.537 -26.680 1.00 0.00 N ATOM 455 CA ILE A 30 -12.839 32.505 -25.237 1.00 0.00 C ATOM 456 C ILE A 30 -13.266 33.853 -24.647 1.00 0.00 C ATOM 457 O ILE A 30 -12.580 34.868 -24.798 1.00 0.00 O ATOM 458 CB ILE A 30 -11.374 32.140 -24.916 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.979 30.704 -25.333 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.131 32.238 -23.397 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.177 30.266 -26.790 1.00 0.00 C ATOM 0 H ILE A 30 -12.214 32.772 -27.207 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.449 31.729 -24.775 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.771 32.846 -25.487 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.925 30.570 -25.091 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.541 30.014 -24.704 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.095 31.979 -23.177 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.330 33.256 -23.062 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.796 31.548 -22.877 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.849 29.233 -26.907 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.232 30.344 -27.053 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.591 30.909 -27.446 1.00 0.00 H new ATOM 473 N ALA A 31 -14.397 33.843 -23.948 1.00 0.00 N ATOM 474 CA ALA A 31 -14.849 34.929 -23.085 1.00 0.00 C ATOM 475 C ALA A 31 -14.470 34.647 -21.621 1.00 0.00 C ATOM 476 O ALA A 31 -14.199 33.505 -21.240 1.00 0.00 O ATOM 477 CB ALA A 31 -16.358 35.110 -23.275 1.00 0.00 C ATOM 0 H ALA A 31 -15.044 33.055 -23.967 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.355 35.862 -23.357 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.711 35.919 -22.636 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.567 35.353 -24.317 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.872 34.186 -23.008 1.00 0.00 H new ATOM 483 N ARG A 32 -14.479 35.686 -20.785 1.00 0.00 N ATOM 484 CA ARG A 32 -14.355 35.582 -19.324 1.00 0.00 C ATOM 485 C ARG A 32 -15.652 36.031 -18.656 1.00 0.00 C ATOM 486 O ARG A 32 -16.380 36.857 -19.206 1.00 0.00 O ATOM 487 CB ARG A 32 -13.133 36.384 -18.836 1.00 0.00 C ATOM 488 CG ARG A 32 -11.885 35.501 -18.758 1.00 0.00 C ATOM 489 CD ARG A 32 -10.613 36.328 -18.538 1.00 0.00 C ATOM 490 NE ARG A 32 -9.420 35.461 -18.469 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.174 35.828 -18.240 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.835 37.072 -18.053 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.239 34.925 -18.198 1.00 0.00 N ATOM 0 H ARG A 32 -14.575 36.648 -21.109 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.189 34.542 -19.043 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.949 37.219 -19.512 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.342 36.809 -17.854 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.997 34.784 -17.944 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.789 34.925 -19.679 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.498 37.046 -19.350 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.703 36.901 -17.615 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.577 34.464 -18.615 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.545 37.804 -18.081 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.860 37.314 -17.879 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.472 33.942 -18.342 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.273 35.199 -18.022 1.00 0.00 H new ATOM 507 N TYR A 33 -15.914 35.522 -17.452 1.00 0.00 N ATOM 508 CA TYR A 33 -17.040 35.932 -16.605 1.00 0.00 C ATOM 509 C TYR A 33 -16.649 36.000 -15.117 1.00 0.00 C ATOM 510 O TYR A 33 -15.942 35.126 -14.612 1.00 0.00 O ATOM 511 CB TYR A 33 -18.240 35.003 -16.805 1.00 0.00 C ATOM 512 CG TYR A 33 -18.824 34.955 -18.200 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.232 34.159 -19.200 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.989 35.685 -18.485 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.829 34.074 -20.472 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.583 35.607 -19.754 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.025 34.771 -20.736 1.00 0.00 C ATOM 518 OH TYR A 33 -20.684 34.599 -21.906 1.00 0.00 O ATOM 0 H TYR A 33 -15.337 34.796 -17.027 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.323 36.938 -16.914 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.942 33.993 -16.524 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -19.027 35.307 -16.115 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.322 33.615 -18.991 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.431 36.310 -17.723 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.371 33.475 -21.245 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.466 36.188 -19.975 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.352 35.308 -22.012 1.00 0.00 H new ATOM 528 N ARG A 34 -17.120 37.041 -14.416 1.00 0.00 N ATOM 529 CA ARG A 34 -16.852 37.339 -12.995 1.00 0.00 C ATOM 530 C ARG A 34 -18.059 36.988 -12.125 1.00 0.00 C ATOM 531 O ARG A 34 -19.152 37.495 -12.372 1.00 0.00 O ATOM 532 CB ARG A 34 -16.480 38.826 -12.854 1.00 0.00 C ATOM 533 CG ARG A 34 -16.091 39.230 -11.424 1.00 0.00 C ATOM 534 CD ARG A 34 -15.624 40.688 -11.418 1.00 0.00 C ATOM 535 NE ARG A 34 -15.294 41.159 -10.058 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.099 41.257 -9.501 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.994 40.916 -10.100 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.990 41.712 -8.284 1.00 0.00 N ATOM 0 H ARG A 34 -17.731 37.737 -14.844 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.018 36.728 -12.650 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.650 39.049 -13.524 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.324 39.435 -13.178 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.942 39.106 -10.755 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.298 38.581 -11.054 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.749 40.791 -12.059 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.405 41.320 -11.841 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.084 41.443 -9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.022 40.550 -11.052 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.101 41.015 -9.617 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.824 41.990 -7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.071 41.790 -7.849 1.00 0.00 H new ATOM 552 N THR A 35 -17.861 36.147 -11.114 1.00 0.00 N ATOM 553 CA THR A 35 -18.908 35.684 -10.182 1.00 0.00 C ATOM 554 C THR A 35 -19.201 36.722 -9.099 1.00 0.00 C ATOM 555 O THR A 35 -18.545 37.764 -9.008 1.00 0.00 O ATOM 556 CB THR A 35 -18.549 34.362 -9.492 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.403 34.533 -8.715 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.319 33.223 -10.464 1.00 0.00 C ATOM 0 H THR A 35 -16.944 35.752 -10.907 1.00 0.00 H new ATOM 0 HA THR A 35 -19.792 35.530 -10.802 1.00 0.00 H new ATOM 0 HB THR A 35 -19.405 34.093 -8.873 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.633 34.696 -9.299 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.069 32.318 -9.911 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.224 33.054 -11.047 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.498 33.477 -11.134 1.00 0.00 H new ATOM 566 N ASP A 36 -20.151 36.418 -8.214 1.00 0.00 N ATOM 567 CA ASP A 36 -20.552 37.335 -7.148 1.00 0.00 C ATOM 568 C ASP A 36 -19.519 37.462 -6.012 1.00 0.00 C ATOM 569 O ASP A 36 -19.550 38.455 -5.280 1.00 0.00 O ATOM 570 CB ASP A 36 -21.938 36.921 -6.631 1.00 0.00 C ATOM 571 CG ASP A 36 -22.558 37.968 -5.689 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.864 39.094 -6.153 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.783 37.657 -4.494 1.00 0.00 O ATOM 0 H ASP A 36 -20.661 35.535 -8.216 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.604 38.338 -7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.604 36.761 -7.479 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.856 35.969 -6.106 1.00 0.00 H new ATOM 578 N ASN A 37 -18.555 36.532 -5.896 1.00 0.00 N ATOM 579 CA ASN A 37 -17.426 36.703 -4.965 1.00 0.00 C ATOM 580 C ASN A 37 -16.221 37.426 -5.614 1.00 0.00 C ATOM 581 O ASN A 37 -15.165 37.558 -4.991 1.00 0.00 O ATOM 582 CB ASN A 37 -17.004 35.371 -4.330 1.00 0.00 C ATOM 583 CG ASN A 37 -18.115 34.405 -3.966 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.177 34.756 -3.469 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.871 33.137 -4.186 1.00 0.00 N ATOM 0 H ASN A 37 -18.534 35.663 -6.429 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.786 37.351 -4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.327 34.866 -5.019 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.435 35.590 -3.427 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.569 32.434 -3.943 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.983 32.853 -4.601 1.00 0.00 H new ATOM 592 N GLY A 38 -16.344 37.847 -6.881 1.00 0.00 N ATOM 593 CA GLY A 38 -15.243 38.334 -7.721 1.00 0.00 C ATOM 594 C GLY A 38 -14.392 37.239 -8.360 1.00 0.00 C ATOM 595 O GLY A 38 -13.342 37.544 -8.928 1.00 0.00 O ATOM 0 H GLY A 38 -17.242 37.858 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.657 38.960 -8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.597 38.970 -7.116 1.00 0.00 H new ATOM 599 N GLU A 39 -14.803 35.972 -8.267 1.00 0.00 N ATOM 600 CA GLU A 39 -14.050 34.854 -8.851 1.00 0.00 C ATOM 601 C GLU A 39 -14.244 34.879 -10.374 1.00 0.00 C ATOM 602 O GLU A 39 -15.374 34.787 -10.854 1.00 0.00 O ATOM 603 CB GLU A 39 -14.482 33.495 -8.258 1.00 0.00 C ATOM 604 CG GLU A 39 -14.830 33.554 -6.764 1.00 0.00 C ATOM 605 CD GLU A 39 -14.578 32.271 -5.951 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.579 31.547 -6.185 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.381 32.021 -5.019 1.00 0.00 O ATOM 0 H GLU A 39 -15.659 35.691 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.994 34.972 -8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.348 33.127 -8.809 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.679 32.773 -8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.257 34.363 -6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.883 33.817 -6.669 1.00 0.00 H new ATOM 614 N GLU A 40 -13.167 35.022 -11.136 1.00 0.00 N ATOM 615 CA GLU A 40 -13.209 35.118 -12.604 1.00 0.00 C ATOM 616 C GLU A 40 -12.800 33.799 -13.274 1.00 0.00 C ATOM 617 O GLU A 40 -11.736 33.242 -12.987 1.00 0.00 O ATOM 618 CB GLU A 40 -12.318 36.270 -13.097 1.00 0.00 C ATOM 619 CG GLU A 40 -13.005 37.621 -12.873 1.00 0.00 C ATOM 620 CD GLU A 40 -12.122 38.840 -13.198 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.182 38.744 -14.025 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.389 39.922 -12.620 1.00 0.00 O ATOM 0 H GLU A 40 -12.223 35.076 -10.754 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.241 35.325 -12.888 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.364 36.250 -12.570 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.099 36.139 -14.157 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.905 37.664 -13.487 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.325 37.685 -11.833 1.00 0.00 H new ATOM 629 N PHE A 41 -13.644 33.325 -14.194 1.00 0.00 N ATOM 630 CA PHE A 41 -13.448 32.093 -14.971 1.00 0.00 C ATOM 631 C PHE A 41 -13.543 32.355 -16.478 1.00 0.00 C ATOM 632 O PHE A 41 -14.071 33.380 -16.908 1.00 0.00 O ATOM 633 CB PHE A 41 -14.474 31.042 -14.533 1.00 0.00 C ATOM 634 CG PHE A 41 -14.309 30.593 -13.094 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.930 31.289 -12.037 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.488 29.484 -12.808 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.725 30.866 -10.717 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.278 29.073 -11.482 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.894 29.770 -10.432 1.00 0.00 C ATOM 0 H PHE A 41 -14.514 33.803 -14.428 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.444 31.717 -14.775 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.477 31.449 -14.665 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.394 30.174 -15.187 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.559 32.142 -12.243 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.016 28.945 -13.616 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.212 31.390 -9.908 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.645 28.224 -11.271 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.730 29.465 -9.409 1.00 0.00 H new ATOM 649 N GLU A 42 -13.053 31.415 -17.287 1.00 0.00 N ATOM 650 CA GLU A 42 -13.075 31.492 -18.749 1.00 0.00 C ATOM 651 C GLU A 42 -14.060 30.472 -19.327 1.00 0.00 C ATOM 652 O GLU A 42 -14.086 29.309 -18.908 1.00 0.00 O ATOM 653 CB GLU A 42 -11.676 31.283 -19.352 1.00 0.00 C ATOM 654 CG GLU A 42 -10.614 32.278 -18.847 1.00 0.00 C ATOM 655 CD GLU A 42 -9.292 31.660 -18.350 1.00 0.00 C ATOM 656 OE1 GLU A 42 -9.277 30.554 -17.758 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.251 32.346 -18.502 1.00 0.00 O ATOM 0 H GLU A 42 -12.620 30.560 -16.937 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.406 32.495 -19.018 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.344 30.270 -19.127 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.745 31.362 -20.437 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.386 32.975 -19.653 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.048 32.861 -18.034 1.00 0.00 H new ATOM 664 N VAL A 43 -14.845 30.902 -20.312 1.00 0.00 N ATOM 665 CA VAL A 43 -15.824 30.072 -21.027 1.00 0.00 C ATOM 666 C VAL A 43 -15.526 30.102 -22.537 1.00 0.00 C ATOM 667 O VAL A 43 -15.714 31.143 -23.174 1.00 0.00 O ATOM 668 CB VAL A 43 -17.270 30.513 -20.739 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.270 29.551 -21.388 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.575 30.586 -19.237 1.00 0.00 C ATOM 0 H VAL A 43 -14.820 31.865 -20.648 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.730 29.048 -20.666 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.371 31.512 -21.163 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.286 29.882 -21.172 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.115 29.538 -22.467 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.122 28.548 -20.988 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.608 30.902 -19.090 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.429 29.604 -18.788 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.905 31.304 -18.764 1.00 0.00 H new ATOM 680 N PRO A 44 -15.049 28.991 -23.127 1.00 0.00 N ATOM 681 CA PRO A 44 -14.883 28.857 -24.572 1.00 0.00 C ATOM 682 C PRO A 44 -16.226 28.573 -25.272 1.00 0.00 C ATOM 683 O PRO A 44 -16.926 27.610 -24.951 1.00 0.00 O ATOM 684 CB PRO A 44 -13.865 27.726 -24.754 1.00 0.00 C ATOM 685 CG PRO A 44 -14.068 26.843 -23.522 1.00 0.00 C ATOM 686 CD PRO A 44 -14.527 27.819 -22.437 1.00 0.00 C ATOM 0 HA PRO A 44 -14.527 29.778 -25.034 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.044 27.172 -25.676 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.846 28.110 -24.806 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.814 26.069 -23.704 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.146 26.336 -23.238 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.293 27.367 -21.807 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.698 28.091 -21.784 1.00 0.00 H new ATOM 694 N PHE A 45 -16.557 29.398 -26.267 1.00 0.00 N ATOM 695 CA PHE A 45 -17.732 29.279 -27.145 1.00 0.00 C ATOM 696 C PHE A 45 -17.331 28.898 -28.570 1.00 0.00 C ATOM 697 O PHE A 45 -16.368 29.440 -29.100 1.00 0.00 O ATOM 698 CB PHE A 45 -18.482 30.615 -27.185 1.00 0.00 C ATOM 699 CG PHE A 45 -19.303 30.898 -25.946 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.691 31.459 -24.810 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.682 30.612 -25.932 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.463 31.750 -23.676 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.449 30.893 -24.787 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.836 31.463 -23.657 1.00 0.00 C ATOM 0 H PHE A 45 -15.986 30.211 -26.498 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.370 28.493 -26.741 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.761 31.421 -27.322 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.140 30.625 -28.054 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.631 31.665 -24.811 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.151 30.176 -26.802 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.997 32.198 -22.811 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.506 30.672 -24.776 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.422 31.680 -22.776 1.00 0.00 H new ATOM 714 N ALA A 46 -18.101 28.048 -29.237 1.00 0.00 N ATOM 715 CA ALA A 46 -17.876 27.674 -30.637 1.00 0.00 C ATOM 716 C ALA A 46 -18.413 28.753 -31.594 1.00 0.00 C ATOM 717 O ALA A 46 -19.298 29.525 -31.229 1.00 0.00 O ATOM 718 CB ALA A 46 -18.519 26.305 -30.891 1.00 0.00 C ATOM 0 H ALA A 46 -18.911 27.590 -28.820 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.806 27.600 -30.831 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.359 26.015 -31.929 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.067 25.563 -30.233 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.589 26.363 -30.691 1.00 0.00 H new ATOM 724 N ASP A 47 -17.925 28.791 -32.835 1.00 0.00 N ATOM 725 CA ASP A 47 -18.350 29.740 -33.883 1.00 0.00 C ATOM 726 C ASP A 47 -19.857 29.655 -34.227 1.00 0.00 C ATOM 727 O ASP A 47 -20.441 30.607 -34.747 1.00 0.00 O ATOM 728 CB ASP A 47 -17.484 29.495 -35.129 1.00 0.00 C ATOM 729 CG ASP A 47 -17.773 30.488 -36.267 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.416 31.684 -36.133 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.315 30.067 -37.319 1.00 0.00 O ATOM 0 H ASP A 47 -17.202 28.147 -33.155 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.206 30.751 -33.502 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.432 29.564 -34.853 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.653 28.480 -35.488 1.00 0.00 H new ATOM 736 N ASP A 48 -20.509 28.534 -33.893 1.00 0.00 N ATOM 737 CA ASP A 48 -21.966 28.347 -33.994 1.00 0.00 C ATOM 738 C ASP A 48 -22.764 29.140 -32.928 1.00 0.00 C ATOM 739 O ASP A 48 -23.983 29.291 -33.043 1.00 0.00 O ATOM 740 CB ASP A 48 -22.253 26.842 -33.894 1.00 0.00 C ATOM 741 CG ASP A 48 -23.714 26.485 -34.225 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.144 26.704 -35.384 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.423 25.942 -33.344 1.00 0.00 O ATOM 0 H ASP A 48 -20.027 27.709 -33.535 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.301 28.745 -34.952 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.591 26.305 -34.573 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.021 26.500 -32.886 1.00 0.00 H new ATOM 748 N ALA A 49 -22.080 29.663 -31.903 1.00 0.00 N ATOM 749 CA ALA A 49 -22.633 30.423 -30.778 1.00 0.00 C ATOM 750 C ALA A 49 -22.005 31.827 -30.644 1.00 0.00 C ATOM 751 O ALA A 49 -20.901 32.087 -31.127 1.00 0.00 O ATOM 752 CB ALA A 49 -22.433 29.597 -29.500 1.00 0.00 C ATOM 0 H ALA A 49 -21.068 29.560 -31.834 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.695 30.594 -30.955 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.837 30.142 -28.647 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.951 28.643 -29.599 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.369 29.418 -29.345 1.00 0.00 H new ATOM 758 N GLU A 50 -22.695 32.731 -29.941 1.00 0.00 N ATOM 759 CA GLU A 50 -22.213 34.078 -29.591 1.00 0.00 C ATOM 760 C GLU A 50 -22.421 34.375 -28.099 1.00 0.00 C ATOM 761 O GLU A 50 -23.435 33.993 -27.515 1.00 0.00 O ATOM 762 CB GLU A 50 -22.906 35.155 -30.444 1.00 0.00 C ATOM 763 CG GLU A 50 -22.383 35.175 -31.883 1.00 0.00 C ATOM 764 CD GLU A 50 -23.130 36.223 -32.730 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.695 37.401 -32.770 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.157 35.881 -33.367 1.00 0.00 O ATOM 0 H GLU A 50 -23.633 32.543 -29.588 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.144 34.103 -29.801 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.981 34.974 -30.452 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.750 36.133 -29.989 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.316 35.397 -31.882 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.503 34.188 -32.331 1.00 0.00 H new ATOM 773 N ILE A 51 -21.448 35.076 -27.508 1.00 0.00 N ATOM 774 CA ILE A 51 -21.289 35.377 -26.077 1.00 0.00 C ATOM 775 C ILE A 51 -22.506 36.133 -25.516 1.00 0.00 C ATOM 776 O ILE A 51 -22.716 37.307 -25.850 1.00 0.00 O ATOM 777 CB ILE A 51 -19.999 36.192 -25.801 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.778 35.729 -26.632 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.657 36.182 -24.299 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.347 34.273 -26.439 1.00 0.00 C ATOM 0 H ILE A 51 -20.691 35.480 -28.059 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.210 34.416 -25.568 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.218 37.211 -26.120 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.002 35.884 -27.687 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.933 36.373 -26.388 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.749 36.760 -24.129 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.479 36.624 -23.736 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.501 35.155 -23.968 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.484 34.062 -27.070 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.082 34.107 -25.395 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.168 33.611 -26.714 1.00 0.00 H new ATOM 792 N PRO A 52 -23.315 35.489 -24.664 1.00 0.00 N ATOM 793 CA PRO A 52 -24.357 36.153 -23.896 1.00 0.00 C ATOM 794 C PRO A 52 -23.745 37.012 -22.778 1.00 0.00 C ATOM 795 O PRO A 52 -22.689 36.687 -22.231 1.00 0.00 O ATOM 796 CB PRO A 52 -25.226 35.016 -23.359 1.00 0.00 C ATOM 797 CG PRO A 52 -24.252 33.849 -23.213 1.00 0.00 C ATOM 798 CD PRO A 52 -23.207 34.090 -24.297 1.00 0.00 C ATOM 0 HA PRO A 52 -24.948 36.848 -24.493 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.682 35.278 -22.404 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.038 34.775 -24.045 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.799 33.831 -22.222 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.755 32.892 -23.351 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.207 33.861 -23.930 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.386 33.447 -25.159 1.00 0.00 H new ATOM 806 N GLY A 53 -24.432 38.102 -22.420 1.00 0.00 N ATOM 807 CA GLY A 53 -24.028 39.073 -21.388 1.00 0.00 C ATOM 808 C GLY A 53 -23.622 38.466 -20.035 1.00 0.00 C ATOM 809 O GLY A 53 -22.772 39.024 -19.337 1.00 0.00 O ATOM 0 H GLY A 53 -25.321 38.345 -22.857 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.191 39.657 -21.771 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.852 39.767 -21.223 1.00 0.00 H new ATOM 813 N THR A 54 -24.195 37.318 -19.663 1.00 0.00 N ATOM 814 CA THR A 54 -23.773 36.528 -18.499 1.00 0.00 C ATOM 815 C THR A 54 -23.794 35.014 -18.780 1.00 0.00 C ATOM 816 O THR A 54 -24.464 34.551 -19.709 1.00 0.00 O ATOM 817 CB THR A 54 -24.691 36.792 -17.285 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.029 36.443 -17.586 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.771 38.258 -16.862 1.00 0.00 C ATOM 0 H THR A 54 -24.978 36.903 -20.169 1.00 0.00 H new ATOM 0 HA THR A 54 -22.751 36.841 -18.283 1.00 0.00 H new ATOM 0 HB THR A 54 -24.246 36.194 -16.489 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.596 36.615 -16.805 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.436 38.353 -16.004 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.777 38.614 -16.592 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.157 38.855 -17.688 1.00 0.00 H new ATOM 827 N TRP A 55 -23.056 34.231 -17.982 1.00 0.00 N ATOM 828 CA TRP A 55 -22.919 32.769 -18.104 1.00 0.00 C ATOM 829 C TRP A 55 -22.485 32.120 -16.777 1.00 0.00 C ATOM 830 O TRP A 55 -21.765 32.728 -15.986 1.00 0.00 O ATOM 831 CB TRP A 55 -21.902 32.437 -19.202 1.00 0.00 C ATOM 832 CG TRP A 55 -21.865 31.003 -19.626 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.058 30.055 -19.108 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.647 30.328 -20.656 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.247 28.860 -19.769 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.229 28.964 -20.730 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.660 30.738 -21.546 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.785 28.057 -21.645 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.234 29.837 -22.465 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.797 28.500 -22.516 1.00 0.00 C ATOM 0 H TRP A 55 -22.517 34.610 -17.204 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.896 32.363 -18.366 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.121 33.051 -20.075 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.909 32.721 -18.853 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.365 30.209 -18.294 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.725 28.006 -19.571 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.003 31.762 -21.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.441 27.034 -21.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.013 30.174 -23.133 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.239 27.814 -23.224 1.00 0.00 H new ATOM 851 N LEU A 56 -22.915 30.884 -16.503 1.00 0.00 N ATOM 852 CA LEU A 56 -22.574 30.153 -15.275 1.00 0.00 C ATOM 853 C LEU A 56 -21.081 29.765 -15.233 1.00 0.00 C ATOM 854 O LEU A 56 -20.568 29.102 -16.138 1.00 0.00 O ATOM 855 CB LEU A 56 -23.497 28.925 -15.147 1.00 0.00 C ATOM 856 CG LEU A 56 -24.127 28.757 -13.754 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.203 27.674 -13.794 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.096 28.347 -12.707 1.00 0.00 C ATOM 0 H LEU A 56 -23.517 30.355 -17.134 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.736 30.805 -14.416 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.293 29.003 -15.887 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.926 28.028 -15.387 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.551 29.723 -13.481 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.644 27.562 -12.803 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.978 27.957 -14.506 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.756 26.728 -14.101 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.584 28.240 -11.738 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.645 27.397 -12.993 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.322 29.111 -12.640 1.00 0.00 H new ATOM 870 N CYS A 57 -20.386 30.154 -14.166 1.00 0.00 N ATOM 871 CA CYS A 57 -18.958 29.901 -13.966 1.00 0.00 C ATOM 872 C CYS A 57 -18.689 28.567 -13.258 1.00 0.00 C ATOM 873 O CYS A 57 -19.569 27.984 -12.619 1.00 0.00 O ATOM 874 CB CYS A 57 -18.340 31.058 -13.173 1.00 0.00 C ATOM 875 SG CYS A 57 -18.199 32.520 -14.222 1.00 0.00 S ATOM 0 H CYS A 57 -20.811 30.668 -13.395 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.494 29.833 -14.950 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.956 31.283 -12.302 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.356 30.771 -12.802 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.089 33.141 -13.953 1.00 0.00 H new ATOM 881 N ARG A 58 -17.428 28.122 -13.301 1.00 0.00 N ATOM 882 CA ARG A 58 -16.987 26.827 -12.749 1.00 0.00 C ATOM 883 C ARG A 58 -17.055 26.752 -11.213 1.00 0.00 C ATOM 884 O ARG A 58 -17.084 25.656 -10.652 1.00 0.00 O ATOM 885 CB ARG A 58 -15.577 26.469 -13.267 1.00 0.00 C ATOM 886 CG ARG A 58 -15.373 26.716 -14.776 1.00 0.00 C ATOM 887 CD ARG A 58 -13.985 26.262 -15.241 1.00 0.00 C ATOM 888 NE ARG A 58 -13.675 26.777 -16.592 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.644 26.447 -17.347 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.772 25.547 -16.988 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.467 27.034 -18.495 1.00 0.00 N ATOM 0 H ARG A 58 -16.670 28.657 -13.726 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.697 26.082 -13.108 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.841 27.051 -12.713 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.380 25.419 -13.053 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.138 26.182 -15.339 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.500 27.777 -14.992 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.231 26.610 -14.535 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.939 25.173 -15.245 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.326 27.459 -16.981 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.872 25.068 -16.093 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.989 25.322 -17.602 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.124 27.748 -18.810 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.671 26.780 -19.080 1.00 0.00 H new ATOM 905 N ASN A 59 -17.149 27.904 -10.538 1.00 0.00 N ATOM 906 CA ASN A 59 -17.438 28.023 -9.099 1.00 0.00 C ATOM 907 C ASN A 59 -18.884 27.605 -8.727 1.00 0.00 C ATOM 908 O ASN A 59 -19.189 27.335 -7.566 1.00 0.00 O ATOM 909 CB ASN A 59 -17.160 29.487 -8.713 1.00 0.00 C ATOM 910 CG ASN A 59 -17.387 29.868 -7.256 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.198 29.093 -6.329 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.741 31.112 -7.011 1.00 0.00 N ATOM 0 H ASN A 59 -17.022 28.809 -10.990 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.802 27.335 -8.542 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.124 29.714 -8.966 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.788 30.127 -9.333 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.857 31.429 -6.049 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.899 31.759 -7.784 1.00 0.00 H new ATOM 919 N GLY A 60 -19.783 27.535 -9.714 1.00 0.00 N ATOM 920 CA GLY A 60 -21.210 27.251 -9.537 1.00 0.00 C ATOM 921 C GLY A 60 -22.070 28.505 -9.326 1.00 0.00 C ATOM 922 O GLY A 60 -23.220 28.385 -8.900 1.00 0.00 O ATOM 0 H GLY A 60 -19.528 27.679 -10.691 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.575 26.714 -10.413 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.335 26.588 -8.681 1.00 0.00 H new ATOM 926 N MET A 61 -21.531 29.698 -9.617 1.00 0.00 N ATOM 927 CA MET A 61 -22.238 30.980 -9.549 1.00 0.00 C ATOM 928 C MET A 61 -22.387 31.609 -10.942 1.00 0.00 C ATOM 929 O MET A 61 -21.527 31.443 -11.807 1.00 0.00 O ATOM 930 CB MET A 61 -21.505 31.909 -8.565 1.00 0.00 C ATOM 931 CG MET A 61 -22.334 33.133 -8.145 1.00 0.00 C ATOM 932 SD MET A 61 -23.970 32.755 -7.451 1.00 0.00 S ATOM 933 CE MET A 61 -24.608 34.432 -7.188 1.00 0.00 C ATOM 0 H MET A 61 -20.561 29.798 -9.915 1.00 0.00 H new ATOM 0 HA MET A 61 -23.251 30.817 -9.180 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.234 31.341 -7.675 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.576 32.249 -9.022 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.766 33.701 -7.408 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.465 33.779 -9.013 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.636 34.378 -6.830 1.00 0.00 H new ATOM 0 HE2 MET A 61 -23.993 34.943 -6.448 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.579 34.984 -8.128 1.00 0.00 H new ATOM 943 N GLU A 62 -23.470 32.354 -11.164 1.00 0.00 N ATOM 944 CA GLU A 62 -23.704 33.107 -12.401 1.00 0.00 C ATOM 945 C GLU A 62 -22.683 34.248 -12.537 1.00 0.00 C ATOM 946 O GLU A 62 -22.703 35.219 -11.774 1.00 0.00 O ATOM 947 CB GLU A 62 -25.147 33.634 -12.448 1.00 0.00 C ATOM 948 CG GLU A 62 -26.172 32.498 -12.578 1.00 0.00 C ATOM 949 CD GLU A 62 -27.607 33.055 -12.667 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.256 33.248 -11.611 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.100 33.295 -13.796 1.00 0.00 O ATOM 0 H GLU A 62 -24.221 32.454 -10.481 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.569 32.437 -13.250 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.353 34.206 -11.544 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.256 34.318 -13.290 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.953 31.905 -13.466 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.090 31.830 -11.721 1.00 0.00 H new ATOM 958 N GLY A 63 -21.764 34.112 -13.495 1.00 0.00 N ATOM 959 CA GLY A 63 -20.749 35.108 -13.822 1.00 0.00 C ATOM 960 C GLY A 63 -21.228 36.133 -14.854 1.00 0.00 C ATOM 961 O GLY A 63 -22.022 35.811 -15.737 1.00 0.00 O ATOM 0 H GLY A 63 -21.706 33.279 -14.081 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.452 35.629 -12.912 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.862 34.603 -14.204 1.00 0.00 H new ATOM 965 N THR A 64 -20.699 37.360 -14.798 1.00 0.00 N ATOM 966 CA THR A 64 -20.980 38.424 -15.782 1.00 0.00 C ATOM 967 C THR A 64 -19.770 38.722 -16.667 1.00 0.00 C ATOM 968 O THR A 64 -18.639 38.756 -16.182 1.00 0.00 O ATOM 969 CB THR A 64 -21.457 39.714 -15.097 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.600 39.453 -14.306 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.844 40.818 -16.089 1.00 0.00 C ATOM 0 H THR A 64 -20.056 37.651 -14.062 1.00 0.00 H new ATOM 0 HA THR A 64 -21.782 38.049 -16.419 1.00 0.00 H new ATOM 0 HB THR A 64 -20.614 40.056 -14.497 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.894 40.281 -13.873 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.172 41.701 -15.541 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.981 41.072 -16.705 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.654 40.466 -16.727 1.00 0.00 H new ATOM 979 N LEU A 65 -20.013 38.916 -17.967 1.00 0.00 N ATOM 980 CA LEU A 65 -19.005 39.014 -19.028 1.00 0.00 C ATOM 981 C LEU A 65 -18.024 40.184 -18.796 1.00 0.00 C ATOM 982 O LEU A 65 -18.427 41.349 -18.742 1.00 0.00 O ATOM 983 CB LEU A 65 -19.785 39.113 -20.357 1.00 0.00 C ATOM 984 CG LEU A 65 -19.046 38.967 -21.702 1.00 0.00 C ATOM 985 CD1 LEU A 65 -20.032 39.320 -22.820 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.818 39.855 -21.899 1.00 0.00 C ATOM 0 H LEU A 65 -20.963 39.014 -18.325 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.358 38.137 -19.043 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.564 38.351 -20.332 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.286 40.081 -20.367 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.684 37.939 -21.718 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.536 39.225 -23.786 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.884 38.641 -22.782 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.379 40.345 -22.689 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.384 39.663 -22.880 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.112 40.902 -21.831 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.081 39.634 -21.127 1.00 0.00 H new ATOM 998 N ILE A 66 -16.728 39.864 -18.712 1.00 0.00 N ATOM 999 CA ILE A 66 -15.581 40.785 -18.774 1.00 0.00 C ATOM 1000 C ILE A 66 -14.588 40.301 -19.845 1.00 0.00 C ATOM 1001 O ILE A 66 -14.571 39.121 -20.196 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.895 40.984 -17.398 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.131 39.753 -16.856 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.875 41.540 -16.348 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.984 38.569 -16.428 1.00 0.00 C ATOM 0 H ILE A 66 -16.431 38.896 -18.591 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.955 41.769 -19.057 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.122 41.728 -17.589 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.436 39.415 -17.625 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.532 40.070 -16.002 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.357 41.666 -15.397 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.258 42.504 -16.683 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.704 40.844 -16.220 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.339 37.768 -16.067 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.661 38.877 -15.631 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.564 38.212 -17.279 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.762 41.193 -20.397 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.836 40.841 -21.487 1.00 0.00 C ATOM 1019 C GLU A 67 -11.733 39.875 -21.051 1.00 0.00 C ATOM 1020 O GLU A 67 -10.957 40.165 -20.140 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.240 42.101 -22.130 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.246 42.662 -23.134 1.00 0.00 C ATOM 1023 CD GLU A 67 -13.021 44.164 -23.392 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -12.220 44.518 -24.292 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -13.648 45.003 -22.701 1.00 0.00 O ATOM 0 H GLU A 67 -13.712 42.170 -20.108 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.428 40.313 -22.234 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.014 42.845 -21.366 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.301 41.862 -22.629 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.165 42.116 -24.074 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.258 42.505 -22.761 1.00 0.00 H new ATOM 1032 N GLY A 68 -11.591 38.719 -21.700 1.00 0.00 N ATOM 1033 CA GLY A 68 -12.456 38.095 -22.718 1.00 0.00 C ATOM 1034 C GLY A 68 -12.249 38.608 -24.150 1.00 0.00 C ATOM 1035 O GLY A 68 -13.190 38.616 -24.943 1.00 0.00 O ATOM 0 H GLY A 68 -10.782 38.129 -21.509 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.287 37.018 -22.706 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.497 38.257 -22.437 1.00 0.00 H new ATOM 1039 N ASP A 69 -11.039 39.070 -24.474 1.00 0.00 N ATOM 1040 CA ASP A 69 -10.617 39.504 -25.807 1.00 0.00 C ATOM 1041 C ASP A 69 -9.144 39.127 -26.041 1.00 0.00 C ATOM 1042 O ASP A 69 -8.289 39.321 -25.172 1.00 0.00 O ATOM 1043 CB ASP A 69 -10.833 41.016 -25.963 1.00 0.00 C ATOM 1044 CG ASP A 69 -10.367 41.516 -27.341 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -10.925 41.058 -28.367 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -9.437 42.355 -27.405 1.00 0.00 O ATOM 0 H ASP A 69 -10.294 39.155 -23.783 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.222 38.997 -26.559 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.889 41.249 -25.829 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.289 41.544 -25.180 1.00 0.00 H new ATOM 1051 N LEU A 70 -8.860 38.581 -27.223 1.00 0.00 N ATOM 1052 CA LEU A 70 -7.535 38.133 -27.669 1.00 0.00 C ATOM 1053 C LEU A 70 -7.199 38.725 -29.054 1.00 0.00 C ATOM 1054 O LEU A 70 -7.770 38.279 -30.055 1.00 0.00 O ATOM 1055 CB LEU A 70 -7.502 36.589 -27.706 1.00 0.00 C ATOM 1056 CG LEU A 70 -7.573 35.890 -26.336 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -7.781 34.387 -26.533 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -6.282 36.088 -25.537 1.00 0.00 C ATOM 0 H LEU A 70 -9.579 38.431 -27.931 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.780 38.486 -26.966 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.335 36.240 -28.316 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.587 36.275 -28.207 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.405 36.331 -25.787 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.831 33.896 -25.561 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.712 34.216 -27.074 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.949 33.976 -27.105 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.368 35.581 -24.576 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.442 35.671 -26.093 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.116 37.153 -25.372 1.00 0.00 H new ATOM 1070 N PRO A 71 -6.261 39.691 -29.150 1.00 0.00 N ATOM 1071 CA PRO A 71 -5.786 40.218 -30.434 1.00 0.00 C ATOM 1072 C PRO A 71 -4.965 39.198 -31.240 1.00 0.00 C ATOM 1073 O PRO A 71 -5.073 39.142 -32.466 1.00 0.00 O ATOM 1074 CB PRO A 71 -4.949 41.458 -30.088 1.00 0.00 C ATOM 1075 CG PRO A 71 -5.458 41.872 -28.708 1.00 0.00 C ATOM 1076 CD PRO A 71 -5.778 40.528 -28.060 1.00 0.00 C ATOM 0 HA PRO A 71 -6.631 40.459 -31.079 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.884 41.228 -30.068 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.090 42.252 -30.821 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.705 42.425 -28.146 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.339 42.511 -28.775 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.894 40.095 -27.591 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.532 40.635 -27.280 1.00 0.00 H new ATOM 1084 N GLU A 72 -4.153 38.382 -30.555 1.00 0.00 N ATOM 1085 CA GLU A 72 -3.242 37.389 -31.140 1.00 0.00 C ATOM 1086 C GLU A 72 -3.258 36.035 -30.387 1.00 0.00 C ATOM 1087 O GLU A 72 -2.293 35.701 -29.689 1.00 0.00 O ATOM 1088 CB GLU A 72 -1.809 37.963 -31.195 1.00 0.00 C ATOM 1089 CG GLU A 72 -1.683 39.226 -32.053 1.00 0.00 C ATOM 1090 CD GLU A 72 -0.206 39.593 -32.308 1.00 0.00 C ATOM 1091 OE1 GLU A 72 0.544 38.768 -32.890 1.00 0.00 O ATOM 1092 OE2 GLU A 72 0.222 40.710 -31.928 1.00 0.00 O ATOM 0 H GLU A 72 -4.111 38.396 -29.536 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.596 37.182 -32.150 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.479 38.189 -30.181 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.136 37.200 -31.587 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.190 39.072 -33.005 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.184 40.056 -31.556 1.00 0.00 H new ATOM 1099 N PRO A 73 -4.311 35.205 -30.537 1.00 0.00 N ATOM 1100 CA PRO A 73 -4.213 33.767 -30.292 1.00 0.00 C ATOM 1101 C PRO A 73 -3.081 33.164 -31.135 1.00 0.00 C ATOM 1102 O PRO A 73 -2.978 33.425 -32.339 1.00 0.00 O ATOM 1103 CB PRO A 73 -5.562 33.155 -30.673 1.00 0.00 C ATOM 1104 CG PRO A 73 -6.512 34.346 -30.679 1.00 0.00 C ATOM 1105 CD PRO A 73 -5.630 35.541 -31.039 1.00 0.00 C ATOM 0 HA PRO A 73 -3.984 33.561 -29.246 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.521 32.671 -31.649 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.875 32.397 -29.955 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.313 34.211 -31.406 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.985 34.481 -29.706 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.611 35.706 -32.116 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.003 36.458 -30.583 1.00 0.00 H new ATOM 1113 N LYS A 74 -2.208 32.392 -30.488 1.00 0.00 N ATOM 1114 CA LYS A 74 -0.921 31.956 -31.061 1.00 0.00 C ATOM 1115 C LYS A 74 -0.405 30.657 -30.434 1.00 0.00 C ATOM 1116 O LYS A 74 -0.266 30.571 -29.212 1.00 0.00 O ATOM 1117 CB LYS A 74 0.093 33.106 -30.892 1.00 0.00 C ATOM 1118 CG LYS A 74 1.318 32.964 -31.812 1.00 0.00 C ATOM 1119 CD LYS A 74 2.199 34.226 -31.782 1.00 0.00 C ATOM 1120 CE LYS A 74 1.503 35.413 -32.472 1.00 0.00 C ATOM 1121 NZ LYS A 74 2.318 36.653 -32.426 1.00 0.00 N ATOM 0 H LYS A 74 -2.370 32.045 -29.543 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.063 31.731 -32.118 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.403 34.054 -31.099 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.426 33.141 -29.855 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.907 32.101 -31.503 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.987 32.775 -32.833 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.428 34.487 -30.749 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.148 34.021 -32.277 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.297 35.156 -33.511 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.542 35.596 -31.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.707 37.477 -32.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.761 36.742 -31.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.057 36.610 -33.156 1.00 0.00 H new ATOM 1135 N LYS A 75 -0.097 29.669 -31.281 1.00 0.00 N ATOM 1136 CA LYS A 75 0.543 28.382 -30.938 1.00 0.00 C ATOM 1137 C LYS A 75 1.519 27.951 -32.039 1.00 0.00 C ATOM 1138 O LYS A 75 1.363 28.335 -33.200 1.00 0.00 O ATOM 1139 CB LYS A 75 -0.514 27.284 -30.681 1.00 0.00 C ATOM 1140 CG LYS A 75 -1.350 27.562 -29.418 1.00 0.00 C ATOM 1141 CD LYS A 75 -2.234 26.392 -28.960 1.00 0.00 C ATOM 1142 CE LYS A 75 -1.401 25.169 -28.546 1.00 0.00 C ATOM 1143 NZ LYS A 75 -2.186 24.236 -27.700 1.00 0.00 N ATOM 0 H LYS A 75 -0.296 29.744 -32.279 1.00 0.00 H new ATOM 0 HA LYS A 75 1.108 28.524 -30.016 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.176 27.211 -31.544 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.016 26.320 -30.579 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.676 27.829 -28.605 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.985 28.428 -29.603 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.851 26.711 -28.120 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.912 26.113 -29.766 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.052 24.647 -29.437 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.516 25.498 -28.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.930 23.256 -27.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.978 24.418 -26.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.201 24.380 -27.874 1.00 0.00 H new ATOM 1157 N VAL A 76 2.516 27.144 -31.670 1.00 0.00 N ATOM 1158 CA VAL A 76 3.568 26.626 -32.571 1.00 0.00 C ATOM 1159 C VAL A 76 3.020 25.757 -33.716 1.00 0.00 C ATOM 1160 O VAL A 76 1.922 25.197 -33.622 1.00 0.00 O ATOM 1161 CB VAL A 76 4.664 25.864 -31.791 1.00 0.00 C ATOM 1162 CG1 VAL A 76 5.407 26.800 -30.830 1.00 0.00 C ATOM 1163 CG2 VAL A 76 4.127 24.665 -30.999 1.00 0.00 C ATOM 0 H VAL A 76 2.624 26.819 -30.709 1.00 0.00 H new ATOM 0 HA VAL A 76 4.015 27.507 -33.031 1.00 0.00 H new ATOM 0 HB VAL A 76 5.347 25.482 -32.550 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.172 26.238 -30.294 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.877 27.604 -31.396 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.701 27.223 -30.116 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.949 24.177 -30.476 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.389 25.009 -30.274 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.660 23.956 -31.683 1.00 0.00 H new ATOM 1173 N LYS A 77 3.788 25.652 -34.808 1.00 0.00 N ATOM 1174 CA LYS A 77 3.475 24.872 -36.026 1.00 0.00 C ATOM 1175 C LYS A 77 4.719 24.116 -36.536 1.00 0.00 C ATOM 1176 O LYS A 77 5.838 24.594 -36.316 1.00 0.00 O ATOM 1177 CB LYS A 77 2.920 25.808 -37.124 1.00 0.00 C ATOM 1178 CG LYS A 77 1.556 26.431 -36.778 1.00 0.00 C ATOM 1179 CD LYS A 77 0.384 25.465 -37.024 1.00 0.00 C ATOM 1180 CE LYS A 77 -0.826 25.841 -36.162 1.00 0.00 C ATOM 1181 NZ LYS A 77 -0.706 25.286 -34.791 1.00 0.00 N ATOM 0 H LYS A 77 4.687 26.128 -34.876 1.00 0.00 H new ATOM 0 HA LYS A 77 2.716 24.132 -35.775 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.639 26.607 -37.304 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.827 25.247 -38.054 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.556 26.738 -35.732 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.411 27.332 -37.374 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.105 25.486 -38.078 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.694 24.445 -36.797 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.915 26.926 -36.111 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.738 25.468 -36.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.343 25.801 -34.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.965 24.279 -34.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.274 25.388 -34.460 1.00 0.00 H new ATOM 1195 N PRO A 78 4.563 22.960 -37.214 1.00 0.00 N ATOM 1196 CA PRO A 78 5.688 22.171 -37.723 1.00 0.00 C ATOM 1197 C PRO A 78 6.413 22.859 -38.903 1.00 0.00 C ATOM 1198 O PRO A 78 5.791 23.629 -39.645 1.00 0.00 O ATOM 1199 CB PRO A 78 5.085 20.822 -38.132 1.00 0.00 C ATOM 1200 CG PRO A 78 3.650 21.181 -38.511 1.00 0.00 C ATOM 1201 CD PRO A 78 3.304 22.286 -37.515 1.00 0.00 C ATOM 0 HA PRO A 78 6.460 22.056 -36.962 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.623 20.378 -38.969 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.117 20.102 -37.314 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.579 21.528 -39.542 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.980 20.326 -38.416 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.580 22.982 -37.939 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.857 21.872 -36.611 1.00 0.00 H new ATOM 1209 N PRO A 79 7.715 22.578 -39.112 1.00 0.00 N ATOM 1210 CA PRO A 79 8.495 23.127 -40.224 1.00 0.00 C ATOM 1211 C PRO A 79 8.067 22.544 -41.583 1.00 0.00 C ATOM 1212 O PRO A 79 7.608 21.398 -41.673 1.00 0.00 O ATOM 1213 CB PRO A 79 9.956 22.802 -39.893 1.00 0.00 C ATOM 1214 CG PRO A 79 9.849 21.507 -39.089 1.00 0.00 C ATOM 1215 CD PRO A 79 8.553 21.699 -38.302 1.00 0.00 C ATOM 0 HA PRO A 79 8.336 24.201 -40.327 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.554 22.668 -40.795 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.425 23.598 -39.315 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.802 20.632 -39.737 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.706 21.369 -38.429 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.059 20.744 -38.125 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.752 22.141 -37.325 1.00 0.00 H new ATOM 1223 N ARG A 80 8.240 23.338 -42.649 1.00 0.00 N ATOM 1224 CA ARG A 80 7.900 23.011 -44.050 1.00 0.00 C ATOM 1225 C ARG A 80 8.977 23.505 -45.024 1.00 0.00 C ATOM 1226 O ARG A 80 9.364 22.725 -45.924 1.00 0.00 O ATOM 1227 CB ARG A 80 6.522 23.598 -44.415 1.00 0.00 C ATOM 1228 CG ARG A 80 5.357 22.923 -43.672 1.00 0.00 C ATOM 1229 CD ARG A 80 4.016 23.531 -44.097 1.00 0.00 C ATOM 1230 NE ARG A 80 2.872 22.853 -43.457 1.00 0.00 N ATOM 1231 CZ ARG A 80 2.370 23.085 -42.260 1.00 0.00 C ATOM 1232 NH1 ARG A 80 2.895 23.941 -41.431 1.00 0.00 N ATOM 1233 NH2 ARG A 80 1.307 22.445 -41.865 1.00 0.00 N ATOM 1234 OXT ARG A 80 9.437 24.662 -44.881 1.00 0.00 O ATOM 0 H ARG A 80 8.640 24.272 -42.558 1.00 0.00 H new ATOM 0 HA ARG A 80 7.855 21.926 -44.139 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.518 24.665 -44.190 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.365 23.498 -45.489 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.358 21.853 -43.880 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.490 23.039 -42.596 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.000 24.590 -43.839 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.916 23.466 -45.180 1.00 0.00 H new ATOM 0 HE ARG A 80 2.418 22.121 -44.003 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.729 24.464 -41.698 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.472 24.088 -40.514 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.863 21.764 -42.481 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.918 22.624 -40.939 1.00 0.00 H new TER 1248 ARG A 80