USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -139:sc= 0.461 (180deg=-1.02) USER MOD Single : A 20 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.2) USER MOD Single : A 22 THR OG1 : rot -117:sc= -1.6! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.689 USER MOD Single : A 28 GLN : amide:sc= -7.2! C(o=-7.2!,f=-7.7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -150:sc= -11.3! (180deg=-13.4!) USER MOD Single : A 44 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.28) USER MOD Single : A 46 GLN : amide:sc= -0.353 K(o=-0.35,f=-2.7!) USER MOD Single : A 52 GLN : amide:sc= -0.0639 X(o=-0.064,f=0) USER MOD Single : A 55 CYS SG : rot -94:sc= -0.373 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -98:sc= 0.834 USER MOD Single : A 63 GLN : amide:sc= -0.78 X(o=-0.78,f=-0.77) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 71 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.011) USER MOD Single : A 72 ASN : amide:sc= 0.525 K(o=0.52,f=-0.43) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.015) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.883 10.660 5.606 1.00 0.00 N ATOM 2 CA GLY A 1 -30.966 9.567 6.559 1.00 0.00 C ATOM 3 C GLY A 1 -32.355 8.926 6.537 1.00 0.00 C ATOM 4 O GLY A 1 -33.367 9.626 6.552 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.932 11.078 5.640 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.069 10.300 4.648 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.589 11.385 5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.211 8.817 6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.747 9.936 7.561 1.00 0.00 H new ATOM 8 N SER A 2 -32.360 7.601 6.503 1.00 0.00 N ATOM 9 CA SER A 2 -33.608 6.858 6.480 1.00 0.00 C ATOM 10 C SER A 2 -33.507 5.636 7.395 1.00 0.00 C ATOM 11 O SER A 2 -32.478 4.964 7.428 1.00 0.00 O ATOM 12 CB SER A 2 -33.966 6.426 5.056 1.00 0.00 C ATOM 13 OG SER A 2 -34.128 7.542 4.185 1.00 0.00 O ATOM 0 H SER A 2 -31.519 7.023 6.491 1.00 0.00 H new ATOM 0 HA SER A 2 -34.401 7.511 6.843 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.184 5.773 4.668 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.887 5.844 5.074 1.00 0.00 H new ATOM 0 HG SER A 2 -34.354 7.225 3.286 1.00 0.00 H new ATOM 19 N SER A 3 -34.590 5.385 8.117 1.00 0.00 N ATOM 20 CA SER A 3 -34.636 4.256 9.030 1.00 0.00 C ATOM 21 C SER A 3 -33.558 4.409 10.106 1.00 0.00 C ATOM 22 O SER A 3 -32.544 5.069 9.884 1.00 0.00 O ATOM 23 CB SER A 3 -34.455 2.934 8.281 1.00 0.00 C ATOM 24 OG SER A 3 -35.690 2.431 7.780 1.00 0.00 O ATOM 0 H SER A 3 -35.442 5.945 8.088 1.00 0.00 H new ATOM 0 HA SER A 3 -35.616 4.241 9.506 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.760 3.078 7.454 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.008 2.197 8.948 1.00 0.00 H new ATOM 0 HG SER A 3 -35.532 1.587 7.307 1.00 0.00 H new ATOM 30 N GLY A 4 -33.815 3.788 11.247 1.00 0.00 N ATOM 31 CA GLY A 4 -32.880 3.847 12.358 1.00 0.00 C ATOM 32 C GLY A 4 -32.123 2.525 12.508 1.00 0.00 C ATOM 33 O GLY A 4 -32.594 1.609 13.181 1.00 0.00 O ATOM 0 H GLY A 4 -34.657 3.241 11.427 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.172 4.660 12.199 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.418 4.069 13.280 1.00 0.00 H new ATOM 37 N SER A 5 -30.964 2.468 11.869 1.00 0.00 N ATOM 38 CA SER A 5 -30.138 1.274 11.923 1.00 0.00 C ATOM 39 C SER A 5 -28.904 1.530 12.791 1.00 0.00 C ATOM 40 O SER A 5 -28.135 2.453 12.526 1.00 0.00 O ATOM 41 CB SER A 5 -29.717 0.831 10.521 1.00 0.00 C ATOM 42 OG SER A 5 -29.068 -0.437 10.533 1.00 0.00 O ATOM 0 H SER A 5 -30.577 3.229 11.311 1.00 0.00 H new ATOM 0 HA SER A 5 -30.727 0.471 12.367 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.595 0.782 9.877 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.048 1.576 10.091 1.00 0.00 H new ATOM 0 HG SER A 5 -28.817 -0.685 9.619 1.00 0.00 H new ATOM 48 N SER A 6 -28.753 0.697 13.810 1.00 0.00 N ATOM 49 CA SER A 6 -27.626 0.821 14.719 1.00 0.00 C ATOM 50 C SER A 6 -27.167 -0.565 15.177 1.00 0.00 C ATOM 51 O SER A 6 -27.568 -1.035 16.240 1.00 0.00 O ATOM 52 CB SER A 6 -27.986 1.688 15.927 1.00 0.00 C ATOM 53 OG SER A 6 -27.269 2.919 15.934 1.00 0.00 O ATOM 0 H SER A 6 -29.393 -0.067 14.026 1.00 0.00 H new ATOM 0 HA SER A 6 -26.809 1.309 14.187 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.057 1.892 15.920 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.772 1.139 16.844 1.00 0.00 H new ATOM 0 HG SER A 6 -27.528 3.444 16.720 1.00 0.00 H new ATOM 59 N GLY A 7 -26.334 -1.180 14.351 1.00 0.00 N ATOM 60 CA GLY A 7 -25.816 -2.502 14.658 1.00 0.00 C ATOM 61 C GLY A 7 -26.755 -3.593 14.138 1.00 0.00 C ATOM 62 O GLY A 7 -27.588 -4.107 14.882 1.00 0.00 O ATOM 0 H GLY A 7 -26.005 -0.787 13.469 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.829 -2.623 14.211 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.692 -2.607 15.736 1.00 0.00 H new ATOM 66 N SER A 8 -26.589 -3.913 12.863 1.00 0.00 N ATOM 67 CA SER A 8 -27.411 -4.933 12.234 1.00 0.00 C ATOM 68 C SER A 8 -26.778 -5.375 10.913 1.00 0.00 C ATOM 69 O SER A 8 -26.808 -4.637 9.929 1.00 0.00 O ATOM 70 CB SER A 8 -28.834 -4.424 11.997 1.00 0.00 C ATOM 71 OG SER A 8 -29.815 -5.395 12.355 1.00 0.00 O ATOM 0 H SER A 8 -25.897 -3.484 12.248 1.00 0.00 H new ATOM 0 HA SER A 8 -27.467 -5.789 12.906 1.00 0.00 H new ATOM 0 HB2 SER A 8 -28.995 -3.515 12.577 1.00 0.00 H new ATOM 0 HB3 SER A 8 -28.954 -4.158 10.947 1.00 0.00 H new ATOM 0 HG SER A 8 -30.710 -5.032 12.191 1.00 0.00 H new ATOM 77 N SER A 9 -26.220 -6.576 10.933 1.00 0.00 N ATOM 78 CA SER A 9 -25.581 -7.124 9.749 1.00 0.00 C ATOM 79 C SER A 9 -24.336 -6.307 9.401 1.00 0.00 C ATOM 80 O SER A 9 -23.212 -6.764 9.603 1.00 0.00 O ATOM 81 CB SER A 9 -26.548 -7.151 8.564 1.00 0.00 C ATOM 82 OG SER A 9 -27.106 -8.446 8.359 1.00 0.00 O ATOM 0 H SER A 9 -26.197 -7.185 11.751 1.00 0.00 H new ATOM 0 HA SER A 9 -25.285 -8.151 9.964 1.00 0.00 H new ATOM 0 HB2 SER A 9 -27.351 -6.433 8.735 1.00 0.00 H new ATOM 0 HB3 SER A 9 -26.024 -6.835 7.662 1.00 0.00 H new ATOM 0 HG SER A 9 -27.719 -8.421 7.595 1.00 0.00 H new ATOM 88 N ALA A 10 -24.578 -5.111 8.882 1.00 0.00 N ATOM 89 CA ALA A 10 -23.490 -4.226 8.503 1.00 0.00 C ATOM 90 C ALA A 10 -22.753 -4.816 7.299 1.00 0.00 C ATOM 91 O ALA A 10 -22.037 -5.807 7.429 1.00 0.00 O ATOM 92 CB ALA A 10 -22.565 -4.010 9.703 1.00 0.00 C ATOM 0 H ALA A 10 -25.511 -4.735 8.715 1.00 0.00 H new ATOM 0 HA ALA A 10 -23.875 -3.250 8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -21.749 -3.346 9.418 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -23.129 -3.562 10.521 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -22.158 -4.968 10.025 1.00 0.00 H new ATOM 98 N GLU A 11 -22.955 -4.181 6.154 1.00 0.00 N ATOM 99 CA GLU A 11 -22.319 -4.631 4.927 1.00 0.00 C ATOM 100 C GLU A 11 -22.370 -6.157 4.831 1.00 0.00 C ATOM 101 O GLU A 11 -21.426 -6.839 5.229 1.00 0.00 O ATOM 102 CB GLU A 11 -20.879 -4.123 4.838 1.00 0.00 C ATOM 103 CG GLU A 11 -20.396 -4.094 3.386 1.00 0.00 C ATOM 104 CD GLU A 11 -19.365 -2.983 3.174 1.00 0.00 C ATOM 105 OE1 GLU A 11 -19.746 -1.810 3.374 1.00 0.00 O ATOM 106 OE2 GLU A 11 -18.219 -3.334 2.816 1.00 0.00 O ATOM 0 H GLU A 11 -23.550 -3.359 6.050 1.00 0.00 H new ATOM 0 HA GLU A 11 -22.869 -4.216 4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -20.815 -3.123 5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -20.226 -4.765 5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.957 -5.057 3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.245 -3.940 2.720 1.00 0.00 H new ATOM 113 N ALA A 12 -23.480 -6.648 4.302 1.00 0.00 N ATOM 114 CA ALA A 12 -23.666 -8.081 4.150 1.00 0.00 C ATOM 115 C ALA A 12 -23.365 -8.479 2.703 1.00 0.00 C ATOM 116 O ALA A 12 -22.481 -9.296 2.451 1.00 0.00 O ATOM 117 CB ALA A 12 -25.086 -8.460 4.575 1.00 0.00 C ATOM 0 H ALA A 12 -24.260 -6.079 3.973 1.00 0.00 H new ATOM 0 HA ALA A 12 -22.976 -8.628 4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -25.225 -9.535 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -25.240 -8.183 5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -25.806 -7.932 3.949 1.00 0.00 H new ATOM 123 N GLY A 13 -24.118 -7.883 1.790 1.00 0.00 N ATOM 124 CA GLY A 13 -23.943 -8.164 0.376 1.00 0.00 C ATOM 125 C GLY A 13 -22.588 -7.657 -0.121 1.00 0.00 C ATOM 126 O GLY A 13 -22.125 -6.599 0.300 1.00 0.00 O ATOM 0 H GLY A 13 -24.851 -7.206 2.003 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -24.019 -9.237 0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -24.743 -7.692 -0.194 1.00 0.00 H new ATOM 130 N GLY A 14 -21.990 -8.437 -1.009 1.00 0.00 N ATOM 131 CA GLY A 14 -20.697 -8.081 -1.568 1.00 0.00 C ATOM 132 C GLY A 14 -20.123 -9.229 -2.400 1.00 0.00 C ATOM 133 O GLY A 14 -19.175 -9.891 -1.981 1.00 0.00 O ATOM 0 H GLY A 14 -22.377 -9.315 -1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -20.799 -7.192 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -20.006 -7.830 -0.763 1.00 0.00 H new ATOM 137 N GLY A 15 -20.722 -9.430 -3.565 1.00 0.00 N ATOM 138 CA GLY A 15 -20.283 -10.487 -4.460 1.00 0.00 C ATOM 139 C GLY A 15 -18.939 -10.138 -5.103 1.00 0.00 C ATOM 140 O GLY A 15 -17.962 -9.876 -4.404 1.00 0.00 O ATOM 0 H GLY A 15 -21.508 -8.878 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.194 -11.422 -3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.031 -10.645 -5.236 1.00 0.00 H new ATOM 144 N ILE A 16 -18.934 -10.146 -6.428 1.00 0.00 N ATOM 145 CA ILE A 16 -17.727 -9.833 -7.173 1.00 0.00 C ATOM 146 C ILE A 16 -17.724 -8.345 -7.531 1.00 0.00 C ATOM 147 O ILE A 16 -18.485 -7.909 -8.393 1.00 0.00 O ATOM 148 CB ILE A 16 -17.591 -10.757 -8.385 1.00 0.00 C ATOM 149 CG1 ILE A 16 -17.546 -12.224 -7.954 1.00 0.00 C ATOM 150 CG2 ILE A 16 -16.378 -10.372 -9.235 1.00 0.00 C ATOM 151 CD1 ILE A 16 -18.946 -12.841 -7.962 1.00 0.00 C ATOM 0 H ILE A 16 -19.747 -10.364 -7.004 1.00 0.00 H new ATOM 0 HA ILE A 16 -16.844 -10.015 -6.561 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.475 -10.632 -9.010 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -16.894 -12.784 -8.625 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -17.117 -12.300 -6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -16.304 -11.044 -10.090 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -16.492 -9.347 -9.588 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -15.473 -10.450 -8.633 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -18.886 -13.884 -7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -19.589 -12.294 -7.272 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -19.362 -12.785 -8.968 1.00 0.00 H new ATOM 163 N ARG A 17 -16.860 -7.607 -6.850 1.00 0.00 N ATOM 164 CA ARG A 17 -16.748 -6.178 -7.085 1.00 0.00 C ATOM 165 C ARG A 17 -15.497 -5.623 -6.400 1.00 0.00 C ATOM 166 O ARG A 17 -15.173 -6.015 -5.280 1.00 0.00 O ATOM 167 CB ARG A 17 -17.980 -5.436 -6.562 1.00 0.00 C ATOM 168 CG ARG A 17 -18.700 -4.702 -7.695 1.00 0.00 C ATOM 169 CD ARG A 17 -20.191 -4.551 -7.389 1.00 0.00 C ATOM 170 NE ARG A 17 -20.982 -4.725 -8.628 1.00 0.00 N ATOM 171 CZ ARG A 17 -22.312 -4.886 -8.653 1.00 0.00 C ATOM 172 NH1 ARG A 17 -23.008 -4.896 -7.508 1.00 0.00 N ATOM 173 NH2 ARG A 17 -22.946 -5.038 -9.824 1.00 0.00 N ATOM 0 H ARG A 17 -16.231 -7.972 -6.135 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.675 -6.024 -8.162 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -18.662 -6.144 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.681 -4.723 -5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -18.253 -3.718 -7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.570 -5.250 -8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -20.495 -5.289 -6.647 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -20.385 -3.568 -6.959 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.484 -4.722 -9.518 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -22.525 -4.781 -6.617 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -24.020 -5.019 -7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -22.416 -5.031 -10.696 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -23.958 -5.161 -9.844 1.00 0.00 H new ATOM 187 N LYS A 18 -14.829 -4.719 -7.101 1.00 0.00 N ATOM 188 CA LYS A 18 -13.621 -4.107 -6.575 1.00 0.00 C ATOM 189 C LYS A 18 -13.281 -2.866 -7.403 1.00 0.00 C ATOM 190 O LYS A 18 -13.915 -2.603 -8.423 1.00 0.00 O ATOM 191 CB LYS A 18 -12.487 -5.131 -6.506 1.00 0.00 C ATOM 192 CG LYS A 18 -12.039 -5.547 -7.909 1.00 0.00 C ATOM 193 CD LYS A 18 -10.981 -6.651 -7.842 1.00 0.00 C ATOM 194 CE LYS A 18 -9.576 -6.076 -8.033 1.00 0.00 C ATOM 195 NZ LYS A 18 -8.917 -5.873 -6.724 1.00 0.00 N ATOM 0 H LYS A 18 -15.102 -4.396 -8.029 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.779 -3.773 -5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.643 -4.708 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.818 -6.009 -5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.899 -5.897 -8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.635 -4.683 -8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.042 -7.160 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.180 -7.398 -8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.980 -6.752 -8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.634 -5.128 -8.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.400 -4.970 -6.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.636 -5.854 -5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.251 -6.652 -6.546 1.00 0.00 H new ATOM 209 N ARG A 19 -12.280 -2.136 -6.933 1.00 0.00 N ATOM 210 CA ARG A 19 -11.848 -0.930 -7.617 1.00 0.00 C ATOM 211 C ARG A 19 -11.261 -1.278 -8.987 1.00 0.00 C ATOM 212 O ARG A 19 -10.916 -2.430 -9.244 1.00 0.00 O ATOM 213 CB ARG A 19 -10.798 -0.177 -6.797 1.00 0.00 C ATOM 214 CG ARG A 19 -11.442 0.943 -5.977 1.00 0.00 C ATOM 215 CD ARG A 19 -11.974 0.411 -4.645 1.00 0.00 C ATOM 216 NE ARG A 19 -13.246 1.084 -4.303 1.00 0.00 N ATOM 217 CZ ARG A 19 -13.333 2.342 -3.850 1.00 0.00 C ATOM 218 NH1 ARG A 19 -12.221 3.071 -3.681 1.00 0.00 N ATOM 219 NH2 ARG A 19 -14.530 2.871 -3.565 1.00 0.00 N ATOM 0 H ARG A 19 -11.756 -2.357 -6.086 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.721 -0.290 -7.743 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -10.285 -0.871 -6.131 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.044 0.242 -7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.711 1.730 -5.792 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.257 1.392 -6.545 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.129 -0.666 -4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.240 0.580 -3.857 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.112 0.557 -4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.309 2.668 -3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.287 4.029 -3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.376 2.316 -3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.595 3.829 -3.220 1.00 0.00 H new ATOM 233 N HIS A 20 -11.166 -0.260 -9.830 1.00 0.00 N ATOM 234 CA HIS A 20 -10.627 -0.444 -11.167 1.00 0.00 C ATOM 235 C HIS A 20 -9.209 0.127 -11.232 1.00 0.00 C ATOM 236 O HIS A 20 -8.953 1.079 -11.968 1.00 0.00 O ATOM 237 CB HIS A 20 -11.560 0.163 -12.217 1.00 0.00 C ATOM 238 CG HIS A 20 -11.587 -0.593 -13.524 1.00 0.00 C ATOM 239 ND1 HIS A 20 -12.069 -0.041 -14.699 1.00 0.00 N ATOM 240 CD2 HIS A 20 -11.187 -1.860 -13.830 1.00 0.00 C ATOM 241 CE1 HIS A 20 -11.960 -0.945 -15.661 1.00 0.00 C ATOM 242 NE2 HIS A 20 -11.413 -2.072 -15.120 1.00 0.00 N ATOM 0 H HIS A 20 -11.453 0.694 -9.613 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.563 -1.508 -11.394 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -12.571 0.203 -11.811 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -11.254 1.191 -12.410 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -10.759 -2.571 -13.139 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.253 -0.813 -16.692 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -11.211 -2.935 -15.624 1.00 0.00 H new ATOM 250 N ARG A 21 -8.325 -0.478 -10.453 1.00 0.00 N ATOM 251 CA ARG A 21 -6.940 -0.041 -10.412 1.00 0.00 C ATOM 252 C ARG A 21 -6.844 1.365 -9.816 1.00 0.00 C ATOM 253 O ARG A 21 -7.620 2.249 -10.175 1.00 0.00 O ATOM 254 CB ARG A 21 -6.323 -0.038 -11.812 1.00 0.00 C ATOM 255 CG ARG A 21 -4.823 0.255 -11.749 1.00 0.00 C ATOM 256 CD ARG A 21 -4.294 0.703 -13.113 1.00 0.00 C ATOM 257 NE ARG A 21 -4.685 2.107 -13.371 1.00 0.00 N ATOM 258 CZ ARG A 21 -4.139 2.876 -14.323 1.00 0.00 C ATOM 259 NH1 ARG A 21 -3.176 2.383 -15.113 1.00 0.00 N ATOM 260 NH2 ARG A 21 -4.557 4.139 -14.485 1.00 0.00 N ATOM 0 H ARG A 21 -8.541 -1.268 -9.845 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.389 -0.742 -9.786 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.489 -1.004 -12.288 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.818 0.711 -12.430 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.631 1.031 -11.008 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.288 -0.637 -11.423 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.208 0.608 -13.140 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.690 0.057 -13.896 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.416 2.515 -12.788 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.858 1.422 -14.990 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.761 2.969 -15.837 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.290 4.515 -13.884 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.142 4.725 -15.209 1.00 0.00 H new ATOM 274 N THR A 22 -5.885 1.527 -8.916 1.00 0.00 N ATOM 275 CA THR A 22 -5.678 2.810 -8.267 1.00 0.00 C ATOM 276 C THR A 22 -4.548 3.579 -8.954 1.00 0.00 C ATOM 277 O THR A 22 -3.702 2.983 -9.620 1.00 0.00 O ATOM 278 CB THR A 22 -5.421 2.552 -6.781 1.00 0.00 C ATOM 279 OG1 THR A 22 -4.016 2.324 -6.706 1.00 0.00 O ATOM 280 CG2 THR A 22 -6.038 1.237 -6.300 1.00 0.00 C ATOM 0 H THR A 22 -5.243 0.791 -8.621 1.00 0.00 H new ATOM 0 HA THR A 22 -6.560 3.444 -8.354 1.00 0.00 H new ATOM 0 HB THR A 22 -5.823 3.378 -6.194 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.849 1.412 -6.389 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.826 1.102 -5.239 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.117 1.263 -6.454 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.611 0.407 -6.863 1.00 0.00 H new ATOM 288 N LYS A 23 -4.570 4.891 -8.770 1.00 0.00 N ATOM 289 CA LYS A 23 -3.557 5.747 -9.364 1.00 0.00 C ATOM 290 C LYS A 23 -2.259 5.627 -8.563 1.00 0.00 C ATOM 291 O LYS A 23 -1.934 6.505 -7.765 1.00 0.00 O ATOM 292 CB LYS A 23 -4.074 7.182 -9.486 1.00 0.00 C ATOM 293 CG LYS A 23 -4.056 7.649 -10.943 1.00 0.00 C ATOM 294 CD LYS A 23 -2.625 7.908 -11.418 1.00 0.00 C ATOM 295 CE LYS A 23 -2.436 9.372 -11.818 1.00 0.00 C ATOM 296 NZ LYS A 23 -1.011 9.758 -11.715 1.00 0.00 N ATOM 0 H LYS A 23 -5.273 5.382 -8.218 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.334 5.424 -10.381 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.089 7.241 -9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.459 7.847 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.522 6.894 -11.576 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.647 8.559 -11.044 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.923 7.651 -10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.398 7.263 -12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.787 9.524 -12.839 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.040 10.012 -11.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.901 10.755 -11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.687 9.631 -10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.443 9.159 -12.348 1.00 0.00 H new ATOM 310 N PHE A 24 -1.553 4.532 -8.803 1.00 0.00 N ATOM 311 CA PHE A 24 -0.298 4.285 -8.114 1.00 0.00 C ATOM 312 C PHE A 24 0.803 5.214 -8.630 1.00 0.00 C ATOM 313 O PHE A 24 1.185 5.141 -9.798 1.00 0.00 O ATOM 314 CB PHE A 24 0.096 2.836 -8.405 1.00 0.00 C ATOM 315 CG PHE A 24 -1.021 1.823 -8.143 1.00 0.00 C ATOM 316 CD1 PHE A 24 -1.273 1.402 -6.874 1.00 0.00 C ATOM 317 CD2 PHE A 24 -1.762 1.345 -9.178 1.00 0.00 C ATOM 318 CE1 PHE A 24 -2.309 0.462 -6.631 1.00 0.00 C ATOM 319 CE2 PHE A 24 -2.799 0.405 -8.934 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.050 -0.016 -7.666 1.00 0.00 C ATOM 0 H PHE A 24 -1.826 3.806 -9.465 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.419 4.466 -7.046 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.407 2.757 -9.447 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.960 2.575 -7.794 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.685 1.783 -6.052 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.562 1.680 -10.185 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.508 0.127 -5.624 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.388 0.025 -9.756 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.838 -0.730 -7.481 1.00 0.00 H new ATOM 330 N THR A 25 1.283 6.066 -7.736 1.00 0.00 N ATOM 331 CA THR A 25 2.332 7.008 -8.087 1.00 0.00 C ATOM 332 C THR A 25 3.706 6.346 -7.961 1.00 0.00 C ATOM 333 O THR A 25 3.826 5.258 -7.401 1.00 0.00 O ATOM 334 CB THR A 25 2.171 8.247 -7.204 1.00 0.00 C ATOM 335 OG1 THR A 25 3.472 8.826 -7.177 1.00 0.00 O ATOM 336 CG2 THR A 25 1.890 7.891 -5.743 1.00 0.00 C ATOM 0 H THR A 25 0.965 6.124 -6.769 1.00 0.00 H new ATOM 0 HA THR A 25 2.250 7.321 -9.128 1.00 0.00 H new ATOM 0 HB THR A 25 1.360 8.865 -7.589 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.458 9.637 -6.627 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.784 8.806 -5.160 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.969 7.312 -5.680 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.717 7.301 -5.347 1.00 0.00 H new ATOM 344 N ALA A 26 4.708 7.032 -8.491 1.00 0.00 N ATOM 345 CA ALA A 26 6.069 6.525 -8.444 1.00 0.00 C ATOM 346 C ALA A 26 6.305 5.831 -7.101 1.00 0.00 C ATOM 347 O ALA A 26 6.957 4.790 -7.042 1.00 0.00 O ATOM 348 CB ALA A 26 7.051 7.674 -8.687 1.00 0.00 C ATOM 0 H ALA A 26 4.605 7.934 -8.955 1.00 0.00 H new ATOM 0 HA ALA A 26 6.230 5.786 -9.229 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.072 7.294 -8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.861 8.114 -9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.920 8.434 -7.916 1.00 0.00 H new ATOM 354 N GLU A 27 5.760 6.435 -6.055 1.00 0.00 N ATOM 355 CA GLU A 27 5.902 5.888 -4.717 1.00 0.00 C ATOM 356 C GLU A 27 5.186 4.540 -4.616 1.00 0.00 C ATOM 357 O GLU A 27 5.831 3.495 -4.536 1.00 0.00 O ATOM 358 CB GLU A 27 5.377 6.868 -3.665 1.00 0.00 C ATOM 359 CG GLU A 27 6.273 6.872 -2.425 1.00 0.00 C ATOM 360 CD GLU A 27 5.673 7.742 -1.318 1.00 0.00 C ATOM 361 OE1 GLU A 27 4.858 7.194 -0.545 1.00 0.00 O ATOM 362 OE2 GLU A 27 6.042 8.935 -1.271 1.00 0.00 O ATOM 0 H GLU A 27 5.219 7.298 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 27 6.963 5.730 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.331 7.871 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.360 6.594 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.402 5.852 -2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.263 7.244 -2.688 1.00 0.00 H new ATOM 369 N GLN A 28 3.863 4.606 -4.622 1.00 0.00 N ATOM 370 CA GLN A 28 3.053 3.404 -4.532 1.00 0.00 C ATOM 371 C GLN A 28 3.571 2.340 -5.502 1.00 0.00 C ATOM 372 O GLN A 28 3.745 1.183 -5.125 1.00 0.00 O ATOM 373 CB GLN A 28 1.578 3.715 -4.796 1.00 0.00 C ATOM 374 CG GLN A 28 1.033 4.704 -3.764 1.00 0.00 C ATOM 375 CD GLN A 28 0.931 4.054 -2.382 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.124 3.623 -1.947 1.00 0.00 O ATOM 377 NE2 GLN A 28 2.083 4.008 -1.719 1.00 0.00 N ATOM 0 H GLN A 28 3.332 5.474 -4.688 1.00 0.00 H new ATOM 0 HA GLN A 28 3.132 3.012 -3.518 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.464 4.129 -5.798 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.997 2.793 -4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.684 5.577 -3.712 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.051 5.057 -4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.930 4.387 -2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.119 3.593 -0.788 1.00 0.00 H new ATOM 386 N LYS A 29 3.803 2.772 -6.733 1.00 0.00 N ATOM 387 CA LYS A 29 4.298 1.871 -7.761 1.00 0.00 C ATOM 388 C LYS A 29 5.571 1.185 -7.261 1.00 0.00 C ATOM 389 O LYS A 29 5.611 -0.038 -7.133 1.00 0.00 O ATOM 390 CB LYS A 29 4.481 2.617 -9.084 1.00 0.00 C ATOM 391 CG LYS A 29 3.351 2.285 -10.061 1.00 0.00 C ATOM 392 CD LYS A 29 3.867 2.238 -11.501 1.00 0.00 C ATOM 393 CE LYS A 29 3.363 3.439 -12.303 1.00 0.00 C ATOM 394 NZ LYS A 29 4.404 4.489 -12.372 1.00 0.00 N ATOM 0 H LYS A 29 3.658 3.733 -7.042 1.00 0.00 H new ATOM 0 HA LYS A 29 3.570 1.086 -7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.504 3.691 -8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.440 2.349 -9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.909 1.324 -9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.562 3.033 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.957 2.228 -11.500 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.540 1.314 -11.978 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.090 3.123 -13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.462 3.841 -11.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.046 5.297 -12.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.645 4.802 -11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.253 4.106 -12.835 1.00 0.00 H new ATOM 408 N GLU A 30 6.580 2.001 -6.993 1.00 0.00 N ATOM 409 CA GLU A 30 7.850 1.488 -6.511 1.00 0.00 C ATOM 410 C GLU A 30 7.647 0.698 -5.216 1.00 0.00 C ATOM 411 O GLU A 30 8.328 -0.298 -4.979 1.00 0.00 O ATOM 412 CB GLU A 30 8.858 2.621 -6.309 1.00 0.00 C ATOM 413 CG GLU A 30 9.303 3.205 -7.651 1.00 0.00 C ATOM 414 CD GLU A 30 10.822 3.107 -7.815 1.00 0.00 C ATOM 415 OE1 GLU A 30 11.287 1.994 -8.143 1.00 0.00 O ATOM 416 OE2 GLU A 30 11.483 4.148 -7.609 1.00 0.00 O ATOM 0 H GLU A 30 6.543 3.015 -7.101 1.00 0.00 H new ATOM 0 HA GLU A 30 8.257 0.814 -7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.411 3.405 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.726 2.248 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.811 2.672 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.993 4.248 -7.719 1.00 0.00 H new ATOM 423 N ARG A 31 6.706 1.173 -4.413 1.00 0.00 N ATOM 424 CA ARG A 31 6.404 0.523 -3.149 1.00 0.00 C ATOM 425 C ARG A 31 5.892 -0.898 -3.391 1.00 0.00 C ATOM 426 O ARG A 31 6.374 -1.848 -2.776 1.00 0.00 O ATOM 427 CB ARG A 31 5.352 1.309 -2.363 1.00 0.00 C ATOM 428 CG ARG A 31 5.930 2.625 -1.838 1.00 0.00 C ATOM 429 CD ARG A 31 6.547 2.437 -0.451 1.00 0.00 C ATOM 430 NE ARG A 31 8.009 2.242 -0.569 1.00 0.00 N ATOM 431 CZ ARG A 31 8.880 3.228 -0.825 1.00 0.00 C ATOM 432 NH1 ARG A 31 8.442 4.483 -0.991 1.00 0.00 N ATOM 433 NH2 ARG A 31 10.189 2.958 -0.915 1.00 0.00 N ATOM 0 H ARG A 31 6.143 2.000 -4.613 1.00 0.00 H new ATOM 0 HA ARG A 31 7.325 0.487 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.493 1.514 -3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.992 0.707 -1.529 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.687 2.996 -2.529 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.144 3.379 -1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.337 3.308 0.170 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.096 1.576 0.043 1.00 0.00 H new ATOM 0 HE ARG A 31 8.377 1.298 -0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.445 4.689 -0.923 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.105 5.233 -1.186 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.522 2.002 -0.789 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.852 3.708 -1.110 1.00 0.00 H new ATOM 447 N MET A 32 4.923 -0.999 -4.288 1.00 0.00 N ATOM 448 CA MET A 32 4.341 -2.289 -4.619 1.00 0.00 C ATOM 449 C MET A 32 5.332 -3.153 -5.401 1.00 0.00 C ATOM 450 O MET A 32 5.499 -4.335 -5.105 1.00 0.00 O ATOM 451 CB MET A 32 3.076 -2.080 -5.455 1.00 0.00 C ATOM 452 CG MET A 32 2.240 -0.923 -4.903 1.00 0.00 C ATOM 453 SD MET A 32 0.641 -1.521 -4.382 1.00 0.00 S ATOM 454 CE MET A 32 -0.210 -1.539 -5.951 1.00 0.00 C ATOM 0 H MET A 32 4.526 -0.209 -4.796 1.00 0.00 H new ATOM 0 HA MET A 32 4.093 -2.803 -3.690 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.349 -1.875 -6.490 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.482 -2.994 -5.457 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.756 -0.459 -4.062 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.119 -0.154 -5.666 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.273 -1.360 -5.790 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.196 -0.758 -6.594 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.073 -2.510 -6.428 1.00 0.00 H new ATOM 464 N LEU A 33 5.964 -2.530 -6.385 1.00 0.00 N ATOM 465 CA LEU A 33 6.935 -3.227 -7.211 1.00 0.00 C ATOM 466 C LEU A 33 8.076 -3.738 -6.330 1.00 0.00 C ATOM 467 O LEU A 33 8.495 -4.887 -6.455 1.00 0.00 O ATOM 468 CB LEU A 33 7.399 -2.333 -8.362 1.00 0.00 C ATOM 469 CG LEU A 33 6.909 -2.726 -9.758 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.136 -1.578 -10.410 1.00 0.00 C ATOM 471 CD2 LEU A 33 8.069 -3.205 -10.632 1.00 0.00 C ATOM 0 H LEU A 33 5.822 -1.550 -6.629 1.00 0.00 H new ATOM 0 HA LEU A 33 6.480 -4.100 -7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.072 -1.313 -8.158 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.489 -2.323 -8.371 1.00 0.00 H new ATOM 0 HG LEU A 33 6.218 -3.563 -9.655 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.799 -1.883 -11.401 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.273 -1.325 -9.795 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.785 -0.707 -10.500 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.693 -3.478 -11.618 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.803 -2.406 -10.732 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.538 -4.073 -10.170 1.00 0.00 H new ATOM 483 N ALA A 34 8.547 -2.858 -5.458 1.00 0.00 N ATOM 484 CA ALA A 34 9.632 -3.205 -4.556 1.00 0.00 C ATOM 485 C ALA A 34 9.156 -4.289 -3.587 1.00 0.00 C ATOM 486 O ALA A 34 9.956 -5.090 -3.106 1.00 0.00 O ATOM 487 CB ALA A 34 10.116 -1.947 -3.832 1.00 0.00 C ATOM 0 H ALA A 34 8.197 -1.905 -5.357 1.00 0.00 H new ATOM 0 HA ALA A 34 10.479 -3.608 -5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.930 -2.207 -3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.470 -1.220 -4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.293 -1.516 -3.261 1.00 0.00 H new ATOM 493 N LEU A 35 7.857 -4.280 -3.330 1.00 0.00 N ATOM 494 CA LEU A 35 7.265 -5.252 -2.427 1.00 0.00 C ATOM 495 C LEU A 35 7.084 -6.581 -3.163 1.00 0.00 C ATOM 496 O LEU A 35 7.546 -7.621 -2.697 1.00 0.00 O ATOM 497 CB LEU A 35 5.972 -4.704 -1.821 1.00 0.00 C ATOM 498 CG LEU A 35 5.055 -5.731 -1.154 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.361 -5.850 0.341 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.583 -5.403 -1.413 1.00 0.00 C ATOM 0 H LEU A 35 7.197 -3.614 -3.732 1.00 0.00 H new ATOM 0 HA LEU A 35 7.929 -5.441 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.233 -3.946 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.410 -4.202 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 35 5.251 -6.705 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.695 -6.586 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.396 -6.165 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.210 -4.883 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.953 -6.149 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.354 -4.417 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.392 -5.410 -2.486 1.00 0.00 H new ATOM 512 N ALA A 36 6.410 -6.503 -4.302 1.00 0.00 N ATOM 513 CA ALA A 36 6.163 -7.687 -5.107 1.00 0.00 C ATOM 514 C ALA A 36 7.498 -8.335 -5.479 1.00 0.00 C ATOM 515 O ALA A 36 7.537 -9.491 -5.895 1.00 0.00 O ATOM 516 CB ALA A 36 5.338 -7.304 -6.338 1.00 0.00 C ATOM 0 H ALA A 36 6.028 -5.639 -4.686 1.00 0.00 H new ATOM 0 HA ALA A 36 5.587 -8.421 -4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.152 -8.192 -6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.387 -6.876 -6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.886 -6.571 -6.930 1.00 0.00 H new ATOM 522 N GLU A 37 8.561 -7.560 -5.315 1.00 0.00 N ATOM 523 CA GLU A 37 9.895 -8.044 -5.628 1.00 0.00 C ATOM 524 C GLU A 37 10.524 -8.700 -4.397 1.00 0.00 C ATOM 525 O GLU A 37 11.596 -9.297 -4.487 1.00 0.00 O ATOM 526 CB GLU A 37 10.778 -6.912 -6.158 1.00 0.00 C ATOM 527 CG GLU A 37 10.580 -6.722 -7.664 1.00 0.00 C ATOM 528 CD GLU A 37 11.842 -6.150 -8.314 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.781 -6.946 -8.528 1.00 0.00 O ATOM 530 OE2 GLU A 37 11.838 -4.929 -8.583 1.00 0.00 O ATOM 0 H GLU A 37 8.525 -6.601 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 37 9.813 -8.795 -6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.540 -5.985 -5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.825 -7.135 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.330 -7.677 -8.125 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.739 -6.052 -7.842 1.00 0.00 H new ATOM 537 N ARG A 38 9.831 -8.566 -3.276 1.00 0.00 N ATOM 538 CA ARG A 38 10.308 -9.139 -2.029 1.00 0.00 C ATOM 539 C ARG A 38 9.450 -10.342 -1.634 1.00 0.00 C ATOM 540 O ARG A 38 9.858 -11.155 -0.806 1.00 0.00 O ATOM 541 CB ARG A 38 10.276 -8.106 -0.901 1.00 0.00 C ATOM 542 CG ARG A 38 8.862 -7.953 -0.338 1.00 0.00 C ATOM 543 CD ARG A 38 8.837 -8.233 1.166 1.00 0.00 C ATOM 544 NE ARG A 38 8.916 -9.690 1.411 1.00 0.00 N ATOM 545 CZ ARG A 38 9.003 -10.243 2.629 1.00 0.00 C ATOM 546 NH1 ARG A 38 9.022 -9.465 3.719 1.00 0.00 N ATOM 547 NH2 ARG A 38 9.071 -11.576 2.756 1.00 0.00 N ATOM 0 H ARG A 38 8.943 -8.069 -3.205 1.00 0.00 H new ATOM 0 HA ARG A 38 11.338 -9.459 -2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.957 -8.409 -0.106 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.629 -7.144 -1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.498 -6.944 -0.530 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.187 -8.638 -0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.672 -7.728 1.652 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.923 -7.831 1.604 1.00 0.00 H new ATOM 0 HE ARG A 38 8.903 -10.312 0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.970 -8.451 3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.088 -9.887 4.645 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.057 -12.169 1.926 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.137 -11.997 3.683 1.00 0.00 H new ATOM 561 N ILE A 39 8.277 -10.418 -2.245 1.00 0.00 N ATOM 562 CA ILE A 39 7.357 -11.508 -1.967 1.00 0.00 C ATOM 563 C ILE A 39 7.331 -12.463 -3.162 1.00 0.00 C ATOM 564 O ILE A 39 7.113 -13.663 -2.997 1.00 0.00 O ATOM 565 CB ILE A 39 5.980 -10.963 -1.585 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.418 -10.068 -2.691 1.00 0.00 C ATOM 567 CG2 ILE A 39 6.030 -10.244 -0.235 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.933 -9.779 -2.461 1.00 0.00 C ATOM 0 H ILE A 39 7.942 -9.742 -2.932 1.00 0.00 H new ATOM 0 HA ILE A 39 7.696 -12.083 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 39 5.298 -11.806 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.974 -9.131 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.552 -10.552 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.038 -9.866 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.356 -10.941 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.732 -9.412 -0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.558 -9.141 -3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.377 -10.716 -2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.805 -9.274 -1.504 1.00 0.00 H new ATOM 580 N GLY A 40 7.555 -11.896 -4.338 1.00 0.00 N ATOM 581 CA GLY A 40 7.560 -12.682 -5.560 1.00 0.00 C ATOM 582 C GLY A 40 6.263 -12.480 -6.347 1.00 0.00 C ATOM 583 O GLY A 40 5.843 -13.362 -7.094 1.00 0.00 O ATOM 0 H GLY A 40 7.735 -10.901 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.412 -12.396 -6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.682 -13.738 -5.317 1.00 0.00 H new ATOM 587 N TRP A 41 5.667 -11.313 -6.152 1.00 0.00 N ATOM 588 CA TRP A 41 4.427 -10.984 -6.834 1.00 0.00 C ATOM 589 C TRP A 41 3.360 -11.985 -6.386 1.00 0.00 C ATOM 590 O TRP A 41 2.478 -12.347 -7.163 1.00 0.00 O ATOM 591 CB TRP A 41 4.625 -10.961 -8.351 1.00 0.00 C ATOM 592 CG TRP A 41 5.793 -10.088 -8.813 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.100 -10.266 -8.576 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.707 -8.885 -9.606 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.860 -9.270 -9.156 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.985 -8.403 -9.802 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.586 -8.225 -10.139 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.263 -7.242 -10.533 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.881 -7.066 -10.867 1.00 0.00 C ATOM 600 CH2 TRP A 41 6.162 -6.569 -11.074 1.00 0.00 C ATOM 0 H TRP A 41 6.020 -10.584 -5.532 1.00 0.00 H new ATOM 0 HA TRP A 41 4.096 -9.980 -6.568 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.786 -11.980 -8.702 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.709 -10.603 -8.821 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.508 -11.086 -8.003 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.876 -9.186 -9.118 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.577 -8.584 -9.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.273 -6.885 -10.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 4.055 -6.520 -11.298 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.307 -5.667 -11.650 1.00 0.00 H new ATOM 611 N ARG A 42 3.476 -12.405 -5.135 1.00 0.00 N ATOM 612 CA ARG A 42 2.533 -13.357 -4.574 1.00 0.00 C ATOM 613 C ARG A 42 2.131 -12.936 -3.159 1.00 0.00 C ATOM 614 O ARG A 42 2.909 -12.295 -2.454 1.00 0.00 O ATOM 615 CB ARG A 42 3.132 -14.764 -4.529 1.00 0.00 C ATOM 616 CG ARG A 42 2.060 -15.825 -4.787 1.00 0.00 C ATOM 617 CD ARG A 42 2.663 -17.231 -4.760 1.00 0.00 C ATOM 618 NE ARG A 42 3.090 -17.573 -3.384 1.00 0.00 N ATOM 619 CZ ARG A 42 4.287 -17.260 -2.870 1.00 0.00 C ATOM 620 NH1 ARG A 42 5.183 -16.597 -3.613 1.00 0.00 N ATOM 621 NH2 ARG A 42 4.587 -17.610 -1.612 1.00 0.00 N ATOM 0 H ARG A 42 4.209 -12.103 -4.494 1.00 0.00 H new ATOM 0 HA ARG A 42 1.653 -13.369 -5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.922 -14.851 -5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.592 -14.936 -3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.277 -15.747 -4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.591 -15.645 -5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.930 -17.957 -5.113 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.515 -17.283 -5.438 1.00 0.00 H new ATOM 0 HE ARG A 42 2.432 -18.078 -2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.954 -16.330 -4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.094 -16.359 -3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.904 -18.114 -1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.498 -17.372 -1.220 1.00 0.00 H new ATOM 635 N ILE A 43 0.917 -13.313 -2.786 1.00 0.00 N ATOM 636 CA ILE A 43 0.402 -12.982 -1.468 1.00 0.00 C ATOM 637 C ILE A 43 -0.004 -14.268 -0.747 1.00 0.00 C ATOM 638 O ILE A 43 -0.682 -15.119 -1.321 1.00 0.00 O ATOM 639 CB ILE A 43 -0.726 -11.954 -1.576 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.185 -10.587 -1.998 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.524 -11.878 -0.273 1.00 0.00 C ATOM 642 CD1 ILE A 43 -0.342 -10.375 -3.505 1.00 0.00 C ATOM 0 H ILE A 43 0.275 -13.845 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 43 1.176 -12.508 -0.864 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.413 -12.282 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.714 -9.801 -1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.867 -10.508 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.320 -11.140 -0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.960 -12.853 -0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.862 -11.586 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.051 -9.395 -3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.209 -11.148 -4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.397 -10.430 -3.772 1.00 0.00 H new ATOM 654 N GLN A 44 0.428 -14.370 0.502 1.00 0.00 N ATOM 655 CA GLN A 44 0.118 -15.538 1.308 1.00 0.00 C ATOM 656 C GLN A 44 -0.169 -15.125 2.753 1.00 0.00 C ATOM 657 O GLN A 44 -0.161 -13.938 3.076 1.00 0.00 O ATOM 658 CB GLN A 44 1.251 -16.564 1.246 1.00 0.00 C ATOM 659 CG GLN A 44 1.227 -17.328 -0.080 1.00 0.00 C ATOM 660 CD GLN A 44 1.009 -18.824 0.153 1.00 0.00 C ATOM 661 OE1 GLN A 44 0.217 -19.240 0.982 1.00 0.00 O ATOM 662 NE2 GLN A 44 1.753 -19.606 -0.623 1.00 0.00 N ATOM 0 H GLN A 44 0.990 -13.662 0.975 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.777 -16.009 0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.210 -16.059 1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.157 -17.265 2.075 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.433 -16.936 -0.715 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.166 -17.172 -0.611 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.397 -19.192 -1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.680 -20.620 -0.544 1.00 0.00 H new ATOM 671 N ARG A 45 -0.416 -16.127 3.584 1.00 0.00 N ATOM 672 CA ARG A 45 -0.705 -15.883 4.987 1.00 0.00 C ATOM 673 C ARG A 45 0.574 -15.495 5.732 1.00 0.00 C ATOM 674 O ARG A 45 0.515 -15.004 6.858 1.00 0.00 O ATOM 675 CB ARG A 45 -1.316 -17.120 5.647 1.00 0.00 C ATOM 676 CG ARG A 45 -1.827 -16.796 7.052 1.00 0.00 C ATOM 677 CD ARG A 45 -1.251 -17.769 8.083 1.00 0.00 C ATOM 678 NE ARG A 45 -1.929 -17.586 9.386 1.00 0.00 N ATOM 679 CZ ARG A 45 -1.742 -18.380 10.448 1.00 0.00 C ATOM 680 NH1 ARG A 45 -0.896 -19.416 10.369 1.00 0.00 N ATOM 681 NH2 ARG A 45 -2.400 -18.138 11.590 1.00 0.00 N ATOM 0 H ARG A 45 -0.422 -17.110 3.312 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.423 -15.065 5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.137 -17.495 5.035 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.570 -17.913 5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.552 -15.775 7.317 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.916 -16.847 7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.379 -18.795 7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.180 -17.602 8.194 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.580 -16.806 9.481 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.394 -19.600 9.500 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.753 -20.021 11.178 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.043 -17.349 11.650 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.257 -18.743 12.399 1.00 0.00 H new ATOM 695 N GLN A 46 1.699 -15.730 5.073 1.00 0.00 N ATOM 696 CA GLN A 46 2.990 -15.412 5.659 1.00 0.00 C ATOM 697 C GLN A 46 3.322 -13.934 5.440 1.00 0.00 C ATOM 698 O GLN A 46 3.586 -13.205 6.395 1.00 0.00 O ATOM 699 CB GLN A 46 4.088 -16.311 5.089 1.00 0.00 C ATOM 700 CG GLN A 46 3.970 -17.735 5.637 1.00 0.00 C ATOM 701 CD GLN A 46 5.234 -18.134 6.402 1.00 0.00 C ATOM 702 OE1 GLN A 46 6.265 -17.487 6.330 1.00 0.00 O ATOM 703 NE2 GLN A 46 5.096 -19.234 7.137 1.00 0.00 N ATOM 0 H GLN A 46 1.743 -16.137 4.139 1.00 0.00 H new ATOM 0 HA GLN A 46 2.936 -15.597 6.732 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.020 -16.329 4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.066 -15.901 5.340 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.105 -17.804 6.296 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.802 -18.432 4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.204 -19.728 7.153 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.882 -19.583 7.685 1.00 0.00 H new ATOM 712 N ASP A 47 3.299 -13.537 4.177 1.00 0.00 N ATOM 713 CA ASP A 47 3.595 -12.159 3.820 1.00 0.00 C ATOM 714 C ASP A 47 2.448 -11.259 4.285 1.00 0.00 C ATOM 715 O ASP A 47 2.582 -10.037 4.302 1.00 0.00 O ATOM 716 CB ASP A 47 3.735 -12.001 2.305 1.00 0.00 C ATOM 717 CG ASP A 47 4.820 -12.867 1.662 1.00 0.00 C ATOM 718 OD1 ASP A 47 5.656 -13.392 2.429 1.00 0.00 O ATOM 719 OD2 ASP A 47 4.789 -12.985 0.418 1.00 0.00 O ATOM 0 H ASP A 47 3.080 -14.145 3.388 1.00 0.00 H new ATOM 0 HA ASP A 47 4.533 -11.880 4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.778 -12.239 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.946 -10.955 2.082 1.00 0.00 H new ATOM 724 N ASP A 48 1.347 -11.899 4.651 1.00 0.00 N ATOM 725 CA ASP A 48 0.178 -11.172 5.115 1.00 0.00 C ATOM 726 C ASP A 48 0.621 -10.050 6.056 1.00 0.00 C ATOM 727 O ASP A 48 0.086 -8.944 6.005 1.00 0.00 O ATOM 728 CB ASP A 48 -0.771 -12.090 5.888 1.00 0.00 C ATOM 729 CG ASP A 48 -2.158 -12.259 5.264 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.212 -12.806 4.141 1.00 0.00 O ATOM 731 OD2 ASP A 48 -3.132 -11.838 5.923 1.00 0.00 O ATOM 0 H ASP A 48 1.240 -12.913 4.636 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.338 -10.772 4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.308 -13.073 5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.889 -11.698 6.898 1.00 0.00 H new ATOM 736 N GLU A 49 1.595 -10.374 6.895 1.00 0.00 N ATOM 737 CA GLU A 49 2.116 -9.407 7.846 1.00 0.00 C ATOM 738 C GLU A 49 2.691 -8.196 7.110 1.00 0.00 C ATOM 739 O GLU A 49 2.398 -7.054 7.462 1.00 0.00 O ATOM 740 CB GLU A 49 3.167 -10.046 8.756 1.00 0.00 C ATOM 741 CG GLU A 49 2.936 -9.656 10.218 1.00 0.00 C ATOM 742 CD GLU A 49 4.238 -9.735 11.018 1.00 0.00 C ATOM 743 OE1 GLU A 49 5.201 -9.055 10.604 1.00 0.00 O ATOM 744 OE2 GLU A 49 4.239 -10.473 12.027 1.00 0.00 O ATOM 0 H GLU A 49 2.037 -11.293 6.935 1.00 0.00 H new ATOM 0 HA GLU A 49 1.295 -9.067 8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.130 -11.131 8.655 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.163 -9.731 8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.534 -8.644 10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.192 -10.317 10.661 1.00 0.00 H new ATOM 751 N VAL A 50 3.501 -8.485 6.102 1.00 0.00 N ATOM 752 CA VAL A 50 4.120 -7.433 5.314 1.00 0.00 C ATOM 753 C VAL A 50 3.060 -6.772 4.431 1.00 0.00 C ATOM 754 O VAL A 50 3.067 -5.555 4.252 1.00 0.00 O ATOM 755 CB VAL A 50 5.295 -8.001 4.514 1.00 0.00 C ATOM 756 CG1 VAL A 50 6.177 -6.879 3.964 1.00 0.00 C ATOM 757 CG2 VAL A 50 6.113 -8.978 5.360 1.00 0.00 C ATOM 0 H VAL A 50 3.743 -9.433 5.813 1.00 0.00 H new ATOM 0 HA VAL A 50 4.530 -6.660 5.964 1.00 0.00 H new ATOM 0 HB VAL A 50 4.888 -8.552 3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.004 -7.310 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.586 -6.239 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.571 -6.287 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.941 -9.367 4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.504 -8.461 6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.477 -9.803 5.680 1.00 0.00 H new ATOM 767 N ILE A 51 2.173 -7.603 3.903 1.00 0.00 N ATOM 768 CA ILE A 51 1.109 -7.114 3.043 1.00 0.00 C ATOM 769 C ILE A 51 0.222 -6.150 3.835 1.00 0.00 C ATOM 770 O ILE A 51 0.196 -4.953 3.554 1.00 0.00 O ATOM 771 CB ILE A 51 0.343 -8.283 2.421 1.00 0.00 C ATOM 772 CG1 ILE A 51 1.296 -9.244 1.706 1.00 0.00 C ATOM 773 CG2 ILE A 51 -0.766 -7.781 1.495 1.00 0.00 C ATOM 774 CD1 ILE A 51 1.503 -8.827 0.249 1.00 0.00 C ATOM 0 H ILE A 51 2.170 -8.612 4.054 1.00 0.00 H new ATOM 0 HA ILE A 51 1.523 -6.553 2.206 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.137 -8.843 3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.256 -9.262 2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.894 -10.256 1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.295 -8.632 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.465 -7.168 2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.329 -7.184 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.184 -9.526 -0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.545 -8.834 -0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.928 -7.824 0.215 1.00 0.00 H new ATOM 786 N GLN A 52 -0.482 -6.708 4.808 1.00 0.00 N ATOM 787 CA GLN A 52 -1.368 -5.913 5.642 1.00 0.00 C ATOM 788 C GLN A 52 -0.628 -4.689 6.184 1.00 0.00 C ATOM 789 O GLN A 52 -1.208 -3.610 6.302 1.00 0.00 O ATOM 790 CB GLN A 52 -1.948 -6.753 6.781 1.00 0.00 C ATOM 791 CG GLN A 52 -2.803 -7.899 6.237 1.00 0.00 C ATOM 792 CD GLN A 52 -4.135 -7.992 6.983 1.00 0.00 C ATOM 793 OE1 GLN A 52 -4.430 -8.962 7.663 1.00 0.00 O ATOM 794 NE2 GLN A 52 -4.922 -6.932 6.820 1.00 0.00 N ATOM 0 H GLN A 52 -0.457 -7.701 5.038 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.201 -5.568 5.029 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.138 -7.156 7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.552 -6.121 7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.988 -7.746 5.174 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.261 -8.840 6.335 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.615 -6.153 6.237 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.833 -6.898 7.278 1.00 0.00 H new ATOM 803 N ARG A 53 0.642 -4.897 6.501 1.00 0.00 N ATOM 804 CA ARG A 53 1.467 -3.823 7.029 1.00 0.00 C ATOM 805 C ARG A 53 1.746 -2.784 5.940 1.00 0.00 C ATOM 806 O ARG A 53 1.513 -1.593 6.140 1.00 0.00 O ATOM 807 CB ARG A 53 2.795 -4.362 7.563 1.00 0.00 C ATOM 808 CG ARG A 53 3.802 -3.228 7.772 1.00 0.00 C ATOM 809 CD ARG A 53 3.308 -2.245 8.835 1.00 0.00 C ATOM 810 NE ARG A 53 4.460 -1.583 9.487 1.00 0.00 N ATOM 811 CZ ARG A 53 5.317 -2.205 10.309 1.00 0.00 C ATOM 812 NH1 ARG A 53 5.157 -3.507 10.584 1.00 0.00 N ATOM 813 NH2 ARG A 53 6.334 -1.525 10.855 1.00 0.00 N ATOM 0 H ARG A 53 1.120 -5.793 6.402 1.00 0.00 H new ATOM 0 HA ARG A 53 0.921 -3.357 7.849 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.628 -4.883 8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.203 -5.092 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.764 -3.642 8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.963 -2.701 6.831 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.660 -1.498 8.378 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.711 -2.772 9.580 1.00 0.00 H new ATOM 0 HE ARG A 53 4.611 -0.592 9.299 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.383 -4.025 10.168 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.809 -3.980 11.209 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.456 -0.534 10.645 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.986 -1.998 11.481 1.00 0.00 H new ATOM 827 N PHE A 54 2.241 -3.274 4.813 1.00 0.00 N ATOM 828 CA PHE A 54 2.555 -2.403 3.693 1.00 0.00 C ATOM 829 C PHE A 54 1.336 -1.571 3.288 1.00 0.00 C ATOM 830 O PHE A 54 1.480 -0.459 2.781 1.00 0.00 O ATOM 831 CB PHE A 54 2.954 -3.305 2.523 1.00 0.00 C ATOM 832 CG PHE A 54 2.730 -2.674 1.147 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.479 -2.625 0.617 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.783 -2.163 0.455 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.272 -2.039 -0.660 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.576 -1.577 -0.822 1.00 0.00 C ATOM 837 CZ PHE A 54 2.324 -1.528 -1.353 1.00 0.00 C ATOM 0 H PHE A 54 2.432 -4.263 4.651 1.00 0.00 H new ATOM 0 HA PHE A 54 3.355 -1.716 3.968 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.007 -3.569 2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.386 -4.233 2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.643 -3.032 1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.777 -2.203 0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.278 -1.999 -1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.412 -1.170 -1.372 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.166 -1.083 -2.324 1.00 0.00 H new ATOM 847 N CYS A 55 0.165 -2.141 3.527 1.00 0.00 N ATOM 848 CA CYS A 55 -1.078 -1.465 3.193 1.00 0.00 C ATOM 849 C CYS A 55 -1.274 -0.308 4.174 1.00 0.00 C ATOM 850 O CYS A 55 -2.142 0.541 3.973 1.00 0.00 O ATOM 851 CB CYS A 55 -2.266 -2.429 3.202 1.00 0.00 C ATOM 852 SG CYS A 55 -2.087 -3.656 1.856 1.00 0.00 S ATOM 0 H CYS A 55 0.050 -3.063 3.948 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.021 -1.073 2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.324 -2.938 4.164 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.196 -1.874 3.078 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.727 -3.242 0.803 1.00 0.00 H new ATOM 858 N GLN A 56 -0.454 -0.311 5.215 1.00 0.00 N ATOM 859 CA GLN A 56 -0.527 0.728 6.228 1.00 0.00 C ATOM 860 C GLN A 56 0.394 1.893 5.861 1.00 0.00 C ATOM 861 O GLN A 56 0.080 3.049 6.141 1.00 0.00 O ATOM 862 CB GLN A 56 -0.182 0.171 7.611 1.00 0.00 C ATOM 863 CG GLN A 56 -1.070 -1.026 7.957 1.00 0.00 C ATOM 864 CD GLN A 56 -1.724 -0.844 9.329 1.00 0.00 C ATOM 865 OE1 GLN A 56 -2.762 -0.221 9.472 1.00 0.00 O ATOM 866 NE2 GLN A 56 -1.059 -1.422 10.326 1.00 0.00 N ATOM 0 H GLN A 56 0.264 -1.017 5.379 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.551 1.099 6.267 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.865 -0.130 7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.307 0.951 8.363 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.841 -1.144 7.195 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.474 -1.939 7.952 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.195 -1.929 10.136 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.414 -1.358 11.280 1.00 0.00 H new ATOM 875 N GLU A 57 1.512 1.548 5.239 1.00 0.00 N ATOM 876 CA GLU A 57 2.480 2.551 4.830 1.00 0.00 C ATOM 877 C GLU A 57 2.060 3.185 3.503 1.00 0.00 C ATOM 878 O GLU A 57 2.256 4.381 3.292 1.00 0.00 O ATOM 879 CB GLU A 57 3.884 1.950 4.731 1.00 0.00 C ATOM 880 CG GLU A 57 4.052 1.161 3.431 1.00 0.00 C ATOM 881 CD GLU A 57 5.513 0.760 3.218 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.318 1.675 2.940 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.792 -0.452 3.338 1.00 0.00 O ATOM 0 H GLU A 57 1.769 0.588 5.009 1.00 0.00 H new ATOM 0 HA GLU A 57 2.508 3.332 5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.628 2.745 4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.064 1.295 5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.427 0.269 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.710 1.763 2.589 1.00 0.00 H new ATOM 890 N THR A 58 1.490 2.355 2.642 1.00 0.00 N ATOM 891 CA THR A 58 1.041 2.819 1.340 1.00 0.00 C ATOM 892 C THR A 58 -0.429 3.239 1.402 1.00 0.00 C ATOM 893 O THR A 58 -0.793 4.310 0.919 1.00 0.00 O ATOM 894 CB THR A 58 1.313 1.709 0.323 1.00 0.00 C ATOM 895 OG1 THR A 58 0.583 0.592 0.823 1.00 0.00 O ATOM 896 CG2 THR A 58 2.770 1.241 0.342 1.00 0.00 C ATOM 0 H THR A 58 1.329 1.364 2.820 1.00 0.00 H new ATOM 0 HA THR A 58 1.588 3.708 1.026 1.00 0.00 H new ATOM 0 HB THR A 58 1.058 2.063 -0.676 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.188 0.000 1.317 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.909 0.453 -0.398 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.425 2.080 0.106 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.016 0.856 1.332 1.00 0.00 H new ATOM 904 N GLY A 59 -1.234 2.373 2.001 1.00 0.00 N ATOM 905 CA GLY A 59 -2.656 2.641 2.132 1.00 0.00 C ATOM 906 C GLY A 59 -3.459 1.861 1.089 1.00 0.00 C ATOM 907 O GLY A 59 -4.688 1.911 1.083 1.00 0.00 O ATOM 0 H GLY A 59 -0.928 1.486 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.991 2.368 3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.841 3.709 2.015 1.00 0.00 H new ATOM 911 N VAL A 60 -2.732 1.159 0.233 1.00 0.00 N ATOM 912 CA VAL A 60 -3.362 0.370 -0.812 1.00 0.00 C ATOM 913 C VAL A 60 -3.988 -0.881 -0.194 1.00 0.00 C ATOM 914 O VAL A 60 -3.417 -1.480 0.717 1.00 0.00 O ATOM 915 CB VAL A 60 -2.345 0.049 -1.910 1.00 0.00 C ATOM 916 CG1 VAL A 60 -2.978 -0.805 -3.011 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.741 1.330 -2.489 1.00 0.00 C ATOM 0 H VAL A 60 -1.713 1.120 0.241 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.165 0.935 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.538 -0.529 -1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.234 -1.019 -3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.338 -1.741 -2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.813 -0.264 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.022 1.074 -3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.533 1.945 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.237 1.885 -1.698 1.00 0.00 H new ATOM 927 N PRO A 61 -5.184 -1.249 -0.726 1.00 0.00 N ATOM 928 CA PRO A 61 -5.894 -2.418 -0.236 1.00 0.00 C ATOM 929 C PRO A 61 -5.237 -3.707 -0.734 1.00 0.00 C ATOM 930 O PRO A 61 -4.673 -3.739 -1.827 1.00 0.00 O ATOM 931 CB PRO A 61 -7.320 -2.249 -0.732 1.00 0.00 C ATOM 932 CG PRO A 61 -7.251 -1.238 -1.865 1.00 0.00 C ATOM 933 CD PRO A 61 -5.890 -0.564 -1.805 1.00 0.00 C ATOM 0 HA PRO A 61 -5.871 -2.499 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.727 -3.198 -1.080 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.972 -1.896 0.067 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.390 -1.732 -2.827 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.047 -0.500 -1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.358 -0.662 -2.751 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.985 0.503 -1.601 1.00 0.00 H new ATOM 941 N ARG A 62 -5.330 -4.739 0.092 1.00 0.00 N ATOM 942 CA ARG A 62 -4.752 -6.027 -0.250 1.00 0.00 C ATOM 943 C ARG A 62 -5.353 -6.548 -1.558 1.00 0.00 C ATOM 944 O ARG A 62 -4.625 -6.852 -2.502 1.00 0.00 O ATOM 945 CB ARG A 62 -4.996 -7.053 0.859 1.00 0.00 C ATOM 946 CG ARG A 62 -4.674 -8.468 0.376 1.00 0.00 C ATOM 947 CD ARG A 62 -4.480 -9.420 1.559 1.00 0.00 C ATOM 948 NE ARG A 62 -5.016 -10.758 1.225 1.00 0.00 N ATOM 949 CZ ARG A 62 -6.323 -11.051 1.165 1.00 0.00 C ATOM 950 NH1 ARG A 62 -7.234 -10.101 1.417 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.718 -12.293 0.854 1.00 0.00 N ATOM 0 H ARG A 62 -5.798 -4.709 0.998 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.678 -5.887 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.380 -6.811 1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.035 -7.003 1.183 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.481 -8.832 -0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.771 -8.451 -0.234 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.421 -9.495 1.806 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.986 -9.026 2.440 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.349 -11.504 1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.933 -9.156 1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.228 -10.323 1.372 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.024 -13.016 0.663 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.712 -12.516 0.808 1.00 0.00 H new ATOM 965 N GLN A 63 -6.675 -6.634 -1.571 1.00 0.00 N ATOM 966 CA GLN A 63 -7.381 -7.113 -2.747 1.00 0.00 C ATOM 967 C GLN A 63 -6.856 -6.414 -4.003 1.00 0.00 C ATOM 968 O GLN A 63 -6.909 -6.973 -5.097 1.00 0.00 O ATOM 969 CB GLN A 63 -8.891 -6.913 -2.599 1.00 0.00 C ATOM 970 CG GLN A 63 -9.659 -7.762 -3.614 1.00 0.00 C ATOM 971 CD GLN A 63 -11.165 -7.521 -3.503 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.667 -7.014 -2.513 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.856 -7.911 -4.570 1.00 0.00 N ATOM 0 H GLN A 63 -7.275 -6.380 -0.786 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.197 -8.183 -2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.199 -7.181 -1.588 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.137 -5.861 -2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.322 -7.522 -4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.443 -8.817 -3.448 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -11.373 -8.329 -5.366 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.869 -7.793 -4.593 1.00 0.00 H new ATOM 982 N VAL A 64 -6.360 -5.202 -3.803 1.00 0.00 N ATOM 983 CA VAL A 64 -5.826 -4.420 -4.906 1.00 0.00 C ATOM 984 C VAL A 64 -4.418 -4.916 -5.241 1.00 0.00 C ATOM 985 O VAL A 64 -4.162 -5.360 -6.360 1.00 0.00 O ATOM 986 CB VAL A 64 -5.869 -2.931 -4.561 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.679 -2.191 -5.176 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.193 -2.303 -5.002 1.00 0.00 C ATOM 0 H VAL A 64 -6.316 -4.742 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.438 -4.550 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.799 -2.836 -3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.734 -1.134 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.750 -2.612 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.704 -2.299 -6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.197 -1.244 -4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.307 -2.415 -6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.019 -2.802 -4.496 1.00 0.00 H new ATOM 998 N LEU A 65 -3.542 -4.824 -4.252 1.00 0.00 N ATOM 999 CA LEU A 65 -2.166 -5.258 -4.428 1.00 0.00 C ATOM 1000 C LEU A 65 -2.152 -6.706 -4.921 1.00 0.00 C ATOM 1001 O LEU A 65 -1.193 -7.139 -5.559 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.366 -5.038 -3.142 1.00 0.00 C ATOM 1003 CG LEU A 65 0.123 -5.381 -3.212 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.331 -6.886 -3.396 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.823 -4.568 -4.303 1.00 0.00 C ATOM 0 H LEU A 65 -3.758 -4.455 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.671 -4.656 -5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.464 -3.992 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.819 -5.634 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 65 0.581 -5.106 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.398 -7.103 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.111 -7.420 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.146 -7.209 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.880 -4.831 -4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.368 -4.788 -5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.720 -3.505 -4.087 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.225 -7.416 -4.605 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.348 -8.807 -5.008 1.00 0.00 C ATOM 1019 C LYS A 66 -3.455 -8.884 -6.532 1.00 0.00 C ATOM 1020 O LYS A 66 -2.530 -9.343 -7.201 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.512 -9.476 -4.275 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.566 -10.974 -4.584 1.00 0.00 C ATOM 1023 CD LYS A 66 -4.533 -11.800 -3.296 1.00 0.00 C ATOM 1024 CE LYS A 66 -5.128 -13.192 -3.523 1.00 0.00 C ATOM 1025 NZ LYS A 66 -4.084 -14.132 -3.987 1.00 0.00 N ATOM 0 H LYS A 66 -4.017 -7.054 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.458 -9.367 -4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.404 -9.326 -3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.450 -9.006 -4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.474 -11.201 -5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.723 -11.249 -5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.505 -11.893 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.091 -11.285 -2.515 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.572 -13.560 -2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.929 -13.136 -4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.504 -15.072 -4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.679 -13.788 -4.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.333 -14.198 -3.270 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.592 -8.429 -7.037 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.832 -8.440 -8.470 1.00 0.00 C ATOM 1041 C VAL A 67 -3.810 -7.536 -9.162 1.00 0.00 C ATOM 1042 O VAL A 67 -3.391 -7.813 -10.285 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.280 -8.038 -8.762 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -6.583 -8.129 -10.259 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -7.259 -8.889 -7.951 1.00 0.00 C ATOM 0 H VAL A 67 -5.357 -8.050 -6.479 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.700 -9.445 -8.871 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.408 -6.999 -8.457 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.618 -7.838 -10.439 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.918 -7.461 -10.806 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.429 -9.153 -10.600 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.281 -8.583 -8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.129 -9.940 -8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.066 -8.751 -6.887 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.438 -6.474 -8.463 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.473 -5.528 -8.996 1.00 0.00 C ATOM 1057 C TRP A 68 -1.359 -6.323 -9.679 1.00 0.00 C ATOM 1058 O TRP A 68 -1.116 -6.157 -10.874 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.955 -4.596 -7.898 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.919 -3.580 -8.382 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -1.124 -2.316 -8.777 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.503 -3.795 -8.507 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.056 -1.703 -9.146 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.077 -2.631 -8.976 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.278 -4.935 -8.232 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.450 -2.494 -9.212 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.649 -4.782 -8.473 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.242 -3.617 -8.945 1.00 0.00 C ATOM 0 H TRP A 68 -3.788 -6.248 -7.532 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.939 -4.877 -9.735 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.798 -4.060 -7.463 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.515 -5.198 -7.103 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -2.092 -1.837 -8.803 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.160 -0.745 -9.482 1.00 0.00 H new ATOM 0 HE3 TRP A 68 0.850 -5.856 -7.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 2.875 -1.572 -9.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.291 -5.629 -8.278 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.309 -3.578 -9.105 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.711 -7.170 -8.892 1.00 0.00 N ATOM 1080 CA LEU A 69 0.371 -7.991 -9.407 1.00 0.00 C ATOM 1081 C LEU A 69 -0.066 -8.637 -10.724 1.00 0.00 C ATOM 1082 O LEU A 69 0.583 -8.455 -11.753 1.00 0.00 O ATOM 1083 CB LEU A 69 0.828 -8.999 -8.350 1.00 0.00 C ATOM 1084 CG LEU A 69 1.166 -8.421 -6.974 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.820 -9.414 -5.863 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.628 -7.976 -6.911 1.00 0.00 C ATOM 0 H LEU A 69 -0.915 -7.305 -7.902 1.00 0.00 H new ATOM 0 HA LEU A 69 1.244 -7.376 -9.627 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.044 -9.746 -8.226 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.707 -9.520 -8.729 1.00 0.00 H new ATOM 0 HG LEU A 69 0.553 -7.534 -6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.070 -8.979 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.246 -9.639 -5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.389 -10.333 -6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.842 -7.569 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.277 -8.831 -7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.808 -7.210 -7.665 1.00 0.00 H new ATOM 1098 N HIS A 70 -1.162 -9.376 -10.648 1.00 0.00 N ATOM 1099 CA HIS A 70 -1.693 -10.049 -11.821 1.00 0.00 C ATOM 1100 C HIS A 70 -1.881 -9.037 -12.953 1.00 0.00 C ATOM 1101 O HIS A 70 -1.580 -9.330 -14.109 1.00 0.00 O ATOM 1102 CB HIS A 70 -2.981 -10.802 -11.479 1.00 0.00 C ATOM 1103 CG HIS A 70 -3.533 -11.623 -12.620 1.00 0.00 C ATOM 1104 ND1 HIS A 70 -2.823 -12.649 -13.218 1.00 0.00 N ATOM 1105 CD2 HIS A 70 -4.734 -11.560 -13.264 1.00 0.00 C ATOM 1106 CE1 HIS A 70 -3.571 -13.172 -14.178 1.00 0.00 C ATOM 1107 NE2 HIS A 70 -4.755 -12.495 -14.205 1.00 0.00 N ATOM 0 H HIS A 70 -1.697 -9.524 -9.792 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.982 -10.800 -12.166 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.791 -11.459 -10.630 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.737 -10.083 -11.163 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.532 -10.866 -13.045 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.293 -13.990 -14.825 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.529 -12.678 -14.844 1.00 0.00 H new ATOM 1115 N ASN A 71 -2.377 -7.866 -12.580 1.00 0.00 N ATOM 1116 CA ASN A 71 -2.608 -6.809 -13.550 1.00 0.00 C ATOM 1117 C ASN A 71 -1.270 -6.369 -14.147 1.00 0.00 C ATOM 1118 O ASN A 71 -1.221 -5.877 -15.273 1.00 0.00 O ATOM 1119 CB ASN A 71 -3.255 -5.589 -12.890 1.00 0.00 C ATOM 1120 CG ASN A 71 -4.721 -5.454 -13.307 1.00 0.00 C ATOM 1121 OD1 ASN A 71 -5.175 -4.409 -13.745 1.00 0.00 O ATOM 1122 ND2 ASN A 71 -5.434 -6.565 -13.147 1.00 0.00 N ATOM 0 H ASN A 71 -2.625 -7.626 -11.620 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.273 -7.198 -14.321 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.188 -5.679 -11.806 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.709 -4.688 -13.169 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.423 -6.577 -13.396 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.992 -7.406 -12.775 1.00 0.00 H new ATOM 1129 N ASN A 72 -0.218 -6.563 -13.366 1.00 0.00 N ATOM 1130 CA ASN A 72 1.117 -6.193 -13.804 1.00 0.00 C ATOM 1131 C ASN A 72 1.791 -7.404 -14.453 1.00 0.00 C ATOM 1132 O ASN A 72 1.794 -7.536 -15.676 1.00 0.00 O ATOM 1133 CB ASN A 72 1.981 -5.748 -12.622 1.00 0.00 C ATOM 1134 CG ASN A 72 1.630 -4.322 -12.193 1.00 0.00 C ATOM 1135 OD1 ASN A 72 2.425 -3.402 -12.295 1.00 0.00 O ATOM 1136 ND2 ASN A 72 0.399 -4.190 -11.708 1.00 0.00 N ATOM 0 H ASN A 72 -0.263 -6.972 -12.432 1.00 0.00 H new ATOM 0 HA ASN A 72 1.023 -5.370 -14.512 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.836 -6.430 -11.784 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.034 -5.800 -12.897 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.070 -3.277 -11.394 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.216 -5.002 -11.650 1.00 0.00 H new ATOM 1143 N LYS A 73 2.345 -8.257 -13.604 1.00 0.00 N ATOM 1144 CA LYS A 73 3.020 -9.453 -14.079 1.00 0.00 C ATOM 1145 C LYS A 73 2.210 -10.071 -15.221 1.00 0.00 C ATOM 1146 O LYS A 73 1.159 -10.666 -14.989 1.00 0.00 O ATOM 1147 CB LYS A 73 3.283 -10.416 -12.920 1.00 0.00 C ATOM 1148 CG LYS A 73 1.971 -10.884 -12.288 1.00 0.00 C ATOM 1149 CD LYS A 73 1.835 -12.406 -12.371 1.00 0.00 C ATOM 1150 CE LYS A 73 1.121 -12.961 -11.136 1.00 0.00 C ATOM 1151 NZ LYS A 73 0.668 -14.349 -11.380 1.00 0.00 N ATOM 0 H LYS A 73 2.340 -8.144 -12.590 1.00 0.00 H new ATOM 0 HA LYS A 73 4.001 -9.202 -14.483 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.846 -11.278 -13.279 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.899 -9.925 -12.167 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.932 -10.568 -11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.130 -10.412 -12.796 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.279 -12.677 -13.269 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.823 -12.859 -12.459 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.793 -12.937 -10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.266 -12.331 -10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.186 -14.711 -10.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.010 -14.363 -12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.490 -14.950 -11.594 1.00 0.00 H new ATOM 1165 N HIS A 74 2.731 -9.908 -16.428 1.00 0.00 N ATOM 1166 CA HIS A 74 2.069 -10.443 -17.606 1.00 0.00 C ATOM 1167 C HIS A 74 2.181 -11.969 -17.609 1.00 0.00 C ATOM 1168 O HIS A 74 1.179 -12.668 -17.466 1.00 0.00 O ATOM 1169 CB HIS A 74 2.628 -9.805 -18.880 1.00 0.00 C ATOM 1170 CG HIS A 74 1.646 -9.760 -20.026 1.00 0.00 C ATOM 1171 ND1 HIS A 74 2.008 -10.030 -21.334 1.00 0.00 N ATOM 1172 CD2 HIS A 74 0.313 -9.473 -20.046 1.00 0.00 C ATOM 1173 CE1 HIS A 74 0.933 -9.908 -22.099 1.00 0.00 C ATOM 1174 NE2 HIS A 74 -0.117 -9.562 -21.299 1.00 0.00 N ATOM 0 H HIS A 74 3.603 -9.414 -16.616 1.00 0.00 H new ATOM 0 HA HIS A 74 1.009 -10.191 -17.578 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.953 -8.790 -18.653 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.512 -10.360 -19.194 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.291 -9.217 -19.188 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.895 -10.056 -23.168 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.074 -9.399 -21.612 1.00 0.00 H new ATOM 1182 N SER A 75 3.408 -12.440 -17.775 1.00 0.00 N ATOM 1183 CA SER A 75 3.663 -13.871 -17.798 1.00 0.00 C ATOM 1184 C SER A 75 4.743 -14.226 -16.774 1.00 0.00 C ATOM 1185 O SER A 75 5.678 -13.456 -16.560 1.00 0.00 O ATOM 1186 CB SER A 75 4.083 -14.332 -19.195 1.00 0.00 C ATOM 1187 OG SER A 75 3.294 -15.425 -19.656 1.00 0.00 O ATOM 0 H SER A 75 4.236 -11.857 -17.895 1.00 0.00 H new ATOM 0 HA SER A 75 2.740 -14.388 -17.536 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.993 -13.500 -19.894 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.133 -14.624 -19.180 1.00 0.00 H new ATOM 0 HG SER A 75 3.592 -15.689 -20.552 1.00 0.00 H new ATOM 1193 N GLY A 76 4.578 -15.393 -16.169 1.00 0.00 N ATOM 1194 CA GLY A 76 5.527 -15.860 -15.173 1.00 0.00 C ATOM 1195 C GLY A 76 6.862 -16.235 -15.820 1.00 0.00 C ATOM 1196 O GLY A 76 7.057 -16.024 -17.017 1.00 0.00 O ATOM 0 H GLY A 76 3.801 -16.029 -16.349 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.687 -15.083 -14.425 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.116 -16.724 -14.651 1.00 0.00 H new ATOM 1200 N PRO A 77 7.771 -16.798 -14.980 1.00 0.00 N ATOM 1201 CA PRO A 77 9.082 -17.204 -15.458 1.00 0.00 C ATOM 1202 C PRO A 77 8.991 -18.491 -16.279 1.00 0.00 C ATOM 1203 O PRO A 77 8.539 -19.520 -15.779 1.00 0.00 O ATOM 1204 CB PRO A 77 9.927 -17.357 -14.204 1.00 0.00 C ATOM 1205 CG PRO A 77 8.945 -17.485 -13.052 1.00 0.00 C ATOM 1206 CD PRO A 77 7.575 -17.063 -13.558 1.00 0.00 C ATOM 0 HA PRO A 77 9.528 -16.476 -16.136 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.568 -18.236 -14.270 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.581 -16.496 -14.066 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.917 -18.511 -12.686 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.253 -16.857 -12.216 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.835 -17.848 -13.400 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.216 -16.176 -13.036 1.00 0.00 H new ATOM 1214 N SER A 78 9.429 -18.392 -17.526 1.00 0.00 N ATOM 1215 CA SER A 78 9.403 -19.536 -18.421 1.00 0.00 C ATOM 1216 C SER A 78 7.957 -19.960 -18.688 1.00 0.00 C ATOM 1217 O SER A 78 7.339 -20.625 -17.859 1.00 0.00 O ATOM 1218 CB SER A 78 10.201 -20.707 -17.843 1.00 0.00 C ATOM 1219 OG SER A 78 11.456 -20.873 -18.497 1.00 0.00 O ATOM 0 H SER A 78 9.804 -17.537 -17.937 1.00 0.00 H new ATOM 0 HA SER A 78 9.869 -19.243 -19.362 1.00 0.00 H new ATOM 0 HB2 SER A 78 10.366 -20.542 -16.778 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.619 -21.624 -17.937 1.00 0.00 H new ATOM 0 HG SER A 78 11.935 -21.629 -18.098 1.00 0.00 H new ATOM 1225 N SER A 79 7.461 -19.556 -19.848 1.00 0.00 N ATOM 1226 CA SER A 79 6.099 -19.886 -20.234 1.00 0.00 C ATOM 1227 C SER A 79 5.838 -19.431 -21.672 1.00 0.00 C ATOM 1228 O SER A 79 5.681 -18.238 -21.930 1.00 0.00 O ATOM 1229 CB SER A 79 5.087 -19.245 -19.283 1.00 0.00 C ATOM 1230 OG SER A 79 3.967 -20.094 -19.044 1.00 0.00 O ATOM 0 H SER A 79 7.977 -19.004 -20.533 1.00 0.00 H new ATOM 0 HA SER A 79 5.979 -20.968 -20.174 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.575 -19.014 -18.336 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.743 -18.300 -19.703 1.00 0.00 H new ATOM 0 HG SER A 79 3.345 -19.650 -18.431 1.00 0.00 H new ATOM 1236 N GLY A 80 5.800 -20.405 -22.569 1.00 0.00 N ATOM 1237 CA GLY A 80 5.561 -20.119 -23.974 1.00 0.00 C ATOM 1238 C GLY A 80 6.473 -20.962 -24.867 1.00 0.00 C ATOM 1239 O GLY A 80 7.470 -21.511 -24.401 1.00 0.00 O ATOM 0 H GLY A 80 5.931 -21.393 -22.351 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.518 -20.322 -24.218 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.733 -19.060 -24.168 1.00 0.00 H new TER 1243 GLY A 80