USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 837 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 2 SER OG : rot 115:sc= 1.24 USER MOD Set 1.2: A 34 TYR OH : rot 180:sc= 1.02 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0595 (180deg=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 MET CE :methyl -175:sc= 0 (180deg=-0.0123) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 150:sc= -0.762 USER MOD Single : A 36 HIS : no HD1:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 60:sc= 0.211 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 171:sc= -0.0274 (180deg=-0.16) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.0212 X(o=0.021,f=-0.24) USER MOD Single : A 64 HIS : no HE2:sc= -8.65! C(o=-8.7!,f=-11!) USER MOD Single : A 66 MET CE :methyl 151:sc= 0 (180deg=-0.647) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 175:sc= 0.437 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 82:sc= 0.109 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -2.39 K(o=-2.4,f=-8.1!) USER MOD Single : A 85 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.17) USER MOD Single : A 86 THR OG1 : rot 39:sc= 0.451 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 98 THR OG1 : rot 45:sc= 0.289 USER MOD Single : A 102 SER OG : rot 26:sc= 0.102 USER MOD Single : A 105 CYS SG : rot 180:sc= 0.0576 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.405 21.262 -3.226 1.00 0.00 N ATOM 2 CA GLY A 1 -24.311 20.331 -3.020 1.00 0.00 C ATOM 3 C GLY A 1 -23.825 19.712 -4.315 1.00 0.00 C ATOM 4 O GLY A 1 -24.500 19.791 -5.341 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.127 22.205 -2.887 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.632 21.312 -4.240 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.241 20.937 -2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.483 20.849 -2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.633 19.541 -2.342 1.00 0.00 H new ATOM 8 N SER A 2 -22.648 19.095 -4.269 1.00 0.00 N ATOM 9 CA SER A 2 -22.069 18.465 -5.450 1.00 0.00 C ATOM 10 C SER A 2 -22.793 17.163 -5.781 1.00 0.00 C ATOM 11 O SER A 2 -22.366 16.082 -5.376 1.00 0.00 O ATOM 12 CB SER A 2 -20.580 18.192 -5.229 1.00 0.00 C ATOM 13 OG SER A 2 -19.804 19.347 -5.498 1.00 0.00 O ATOM 0 H SER A 2 -22.077 19.018 -3.427 1.00 0.00 H new ATOM 0 HA SER A 2 -22.185 19.149 -6.291 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.415 17.871 -4.201 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.257 17.375 -5.874 1.00 0.00 H new ATOM 0 HG SER A 2 -19.377 19.654 -4.671 1.00 0.00 H new ATOM 19 N SER A 3 -23.891 17.276 -6.522 1.00 0.00 N ATOM 20 CA SER A 3 -24.677 16.110 -6.906 1.00 0.00 C ATOM 21 C SER A 3 -24.180 15.530 -8.226 1.00 0.00 C ATOM 22 O SER A 3 -24.634 15.923 -9.300 1.00 0.00 O ATOM 23 CB SER A 3 -26.157 16.482 -7.024 1.00 0.00 C ATOM 24 OG SER A 3 -26.706 16.800 -5.757 1.00 0.00 O ATOM 0 H SER A 3 -24.256 18.163 -6.868 1.00 0.00 H new ATOM 0 HA SER A 3 -24.561 15.353 -6.130 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.269 17.333 -7.696 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.710 15.653 -7.465 1.00 0.00 H new ATOM 0 HG SER A 3 -27.652 17.036 -5.860 1.00 0.00 H new ATOM 30 N GLY A 4 -23.243 14.591 -8.137 1.00 0.00 N ATOM 31 CA GLY A 4 -22.698 13.971 -9.331 1.00 0.00 C ATOM 32 C GLY A 4 -21.369 13.288 -9.075 1.00 0.00 C ATOM 33 O GLY A 4 -21.190 12.629 -8.051 1.00 0.00 O ATOM 0 H GLY A 4 -22.852 14.249 -7.260 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.410 13.241 -9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.571 14.729 -10.104 1.00 0.00 H new ATOM 37 N SER A 5 -20.436 13.443 -10.009 1.00 0.00 N ATOM 38 CA SER A 5 -19.119 12.831 -9.882 1.00 0.00 C ATOM 39 C SER A 5 -18.107 13.830 -9.327 1.00 0.00 C ATOM 40 O SER A 5 -17.259 14.342 -10.058 1.00 0.00 O ATOM 41 CB SER A 5 -18.644 12.307 -11.238 1.00 0.00 C ATOM 42 OG SER A 5 -17.350 11.737 -11.140 1.00 0.00 O ATOM 0 H SER A 5 -20.568 13.987 -10.862 1.00 0.00 H new ATOM 0 HA SER A 5 -19.199 11.996 -9.186 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.346 11.561 -11.609 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.632 13.122 -11.962 1.00 0.00 H new ATOM 0 HG SER A 5 -17.070 11.408 -12.020 1.00 0.00 H new ATOM 48 N SER A 6 -18.204 14.101 -8.029 1.00 0.00 N ATOM 49 CA SER A 6 -17.300 15.041 -7.376 1.00 0.00 C ATOM 50 C SER A 6 -17.033 14.623 -5.933 1.00 0.00 C ATOM 51 O SER A 6 -17.937 14.614 -5.099 1.00 0.00 O ATOM 52 CB SER A 6 -17.888 16.453 -7.409 1.00 0.00 C ATOM 53 OG SER A 6 -17.914 16.963 -8.730 1.00 0.00 O ATOM 0 H SER A 6 -18.899 13.684 -7.410 1.00 0.00 H new ATOM 0 HA SER A 6 -16.355 15.036 -7.919 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.899 16.439 -7.001 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.297 17.112 -6.773 1.00 0.00 H new ATOM 0 HG SER A 6 -18.296 17.866 -8.725 1.00 0.00 H new ATOM 59 N GLY A 7 -15.781 14.276 -5.646 1.00 0.00 N ATOM 60 CA GLY A 7 -15.416 13.861 -4.304 1.00 0.00 C ATOM 61 C GLY A 7 -14.449 12.694 -4.302 1.00 0.00 C ATOM 62 O GLY A 7 -13.436 12.719 -3.603 1.00 0.00 O ATOM 0 H GLY A 7 -15.014 14.275 -6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.967 14.702 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.316 13.584 -3.755 1.00 0.00 H new ATOM 66 N MET A 8 -14.762 11.666 -5.085 1.00 0.00 N ATOM 67 CA MET A 8 -13.913 10.484 -5.169 1.00 0.00 C ATOM 68 C MET A 8 -13.193 10.426 -6.513 1.00 0.00 C ATOM 69 O MET A 8 -13.092 9.365 -7.128 1.00 0.00 O ATOM 70 CB MET A 8 -14.746 9.216 -4.969 1.00 0.00 C ATOM 71 CG MET A 8 -15.677 8.911 -6.131 1.00 0.00 C ATOM 72 SD MET A 8 -17.121 7.954 -5.632 1.00 0.00 S ATOM 73 CE MET A 8 -17.346 6.906 -7.067 1.00 0.00 C ATOM 0 H MET A 8 -15.597 11.628 -5.670 1.00 0.00 H new ATOM 0 HA MET A 8 -13.165 10.548 -4.378 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.075 8.370 -4.820 1.00 0.00 H new ATOM 0 HB3 MET A 8 -15.336 9.319 -4.058 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.005 9.847 -6.584 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.129 8.362 -6.896 1.00 0.00 H new ATOM 0 HE1 MET A 8 -18.256 6.317 -6.948 1.00 0.00 H new ATOM 0 HE2 MET A 8 -17.428 7.525 -7.960 1.00 0.00 H new ATOM 0 HE3 MET A 8 -16.491 6.237 -7.167 1.00 0.00 H new ATOM 83 N MET A 9 -12.694 11.574 -6.961 1.00 0.00 N ATOM 84 CA MET A 9 -11.983 11.652 -8.232 1.00 0.00 C ATOM 85 C MET A 9 -10.712 10.809 -8.197 1.00 0.00 C ATOM 86 O MET A 9 -10.554 9.875 -8.984 1.00 0.00 O ATOM 87 CB MET A 9 -11.635 13.106 -8.557 1.00 0.00 C ATOM 88 CG MET A 9 -12.848 14.018 -8.635 1.00 0.00 C ATOM 89 SD MET A 9 -12.402 15.764 -8.708 1.00 0.00 S ATOM 90 CE MET A 9 -12.300 16.160 -6.964 1.00 0.00 C ATOM 0 H MET A 9 -12.769 12.461 -6.464 1.00 0.00 H new ATOM 0 HA MET A 9 -12.637 11.259 -9.010 1.00 0.00 H new ATOM 0 HB2 MET A 9 -10.953 13.486 -7.797 1.00 0.00 H new ATOM 0 HB3 MET A 9 -11.103 13.140 -9.508 1.00 0.00 H new ATOM 0 HG2 MET A 9 -13.435 13.760 -9.516 1.00 0.00 H new ATOM 0 HG3 MET A 9 -13.484 13.846 -7.767 1.00 0.00 H new ATOM 0 HE1 MET A 9 -12.032 17.210 -6.844 1.00 0.00 H new ATOM 0 HE2 MET A 9 -13.265 15.976 -6.492 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.541 15.536 -6.493 1.00 0.00 H new ATOM 100 N ILE A 10 -9.811 11.143 -7.280 1.00 0.00 N ATOM 101 CA ILE A 10 -8.555 10.416 -7.143 1.00 0.00 C ATOM 102 C ILE A 10 -8.771 9.071 -6.458 1.00 0.00 C ATOM 103 O ILE A 10 -8.270 8.043 -6.914 1.00 0.00 O ATOM 104 CB ILE A 10 -7.519 11.226 -6.342 1.00 0.00 C ATOM 105 CG1 ILE A 10 -7.283 12.587 -7.002 1.00 0.00 C ATOM 106 CG2 ILE A 10 -6.214 10.453 -6.228 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.700 12.489 -8.394 1.00 0.00 C ATOM 0 H ILE A 10 -9.927 11.912 -6.621 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.174 10.252 -8.151 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.908 11.392 -5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.228 13.128 -7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.611 13.174 -6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.492 11.039 -5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.395 9.507 -5.718 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.818 10.258 -7.225 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.559 13.490 -8.801 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.739 11.976 -8.351 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.381 11.929 -9.035 1.00 0.00 H new ATOM 119 N ARG A 11 -9.522 9.085 -5.362 1.00 0.00 N ATOM 120 CA ARG A 11 -9.806 7.866 -4.614 1.00 0.00 C ATOM 121 C ARG A 11 -9.979 6.678 -5.556 1.00 0.00 C ATOM 122 O ARG A 11 -9.264 5.682 -5.451 1.00 0.00 O ATOM 123 CB ARG A 11 -11.066 8.044 -3.765 1.00 0.00 C ATOM 124 CG ARG A 11 -11.187 7.035 -2.635 1.00 0.00 C ATOM 125 CD ARG A 11 -12.604 6.979 -2.088 1.00 0.00 C ATOM 126 NE ARG A 11 -12.774 5.899 -1.119 1.00 0.00 N ATOM 127 CZ ARG A 11 -13.945 5.335 -0.846 1.00 0.00 C ATOM 128 NH1 ARG A 11 -15.043 5.745 -1.465 1.00 0.00 N ATOM 129 NH2 ARG A 11 -14.019 4.357 0.049 1.00 0.00 N ATOM 0 H ARG A 11 -9.945 9.927 -4.972 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.959 7.668 -3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.071 9.050 -3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.942 7.963 -4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.895 6.048 -2.994 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.497 7.300 -1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.849 7.931 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.305 6.841 -2.911 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.948 5.560 -0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.990 6.496 -2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.941 5.310 -1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.176 4.039 0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.919 3.924 0.258 1.00 0.00 H new ATOM 143 N GLU A 12 -10.933 6.792 -6.475 1.00 0.00 N ATOM 144 CA GLU A 12 -11.199 5.726 -7.434 1.00 0.00 C ATOM 145 C GLU A 12 -9.951 5.403 -8.250 1.00 0.00 C ATOM 146 O GLU A 12 -9.556 4.243 -8.366 1.00 0.00 O ATOM 147 CB GLU A 12 -12.343 6.126 -8.369 1.00 0.00 C ATOM 148 CG GLU A 12 -13.722 5.828 -7.805 1.00 0.00 C ATOM 149 CD GLU A 12 -13.922 4.357 -7.498 1.00 0.00 C ATOM 150 OE1 GLU A 12 -13.245 3.521 -8.133 1.00 0.00 O ATOM 151 OE2 GLU A 12 -14.755 4.041 -6.623 1.00 0.00 O ATOM 0 H GLU A 12 -11.534 7.610 -6.576 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.488 4.835 -6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.270 7.192 -8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.226 5.601 -9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.871 6.409 -6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.480 6.153 -8.518 1.00 0.00 H new ATOM 158 N ARG A 13 -9.335 6.438 -8.813 1.00 0.00 N ATOM 159 CA ARG A 13 -8.133 6.264 -9.620 1.00 0.00 C ATOM 160 C ARG A 13 -7.094 5.430 -8.875 1.00 0.00 C ATOM 161 O ARG A 13 -6.510 4.503 -9.437 1.00 0.00 O ATOM 162 CB ARG A 13 -7.540 7.626 -9.989 1.00 0.00 C ATOM 163 CG ARG A 13 -8.410 8.431 -10.940 1.00 0.00 C ATOM 164 CD ARG A 13 -7.698 9.687 -11.418 1.00 0.00 C ATOM 165 NE ARG A 13 -8.208 10.149 -12.706 1.00 0.00 N ATOM 166 CZ ARG A 13 -7.814 9.652 -13.873 1.00 0.00 C ATOM 167 NH1 ARG A 13 -6.911 8.682 -13.914 1.00 0.00 N ATOM 168 NH2 ARG A 13 -8.325 10.125 -15.003 1.00 0.00 N ATOM 0 H ARG A 13 -9.648 7.405 -8.725 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.411 5.736 -10.532 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.382 8.203 -9.078 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.561 7.475 -10.445 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.679 7.815 -11.798 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.339 8.706 -10.441 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.819 10.476 -10.676 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.629 9.488 -11.501 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.905 10.894 -12.710 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.517 8.315 -13.048 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.611 8.303 -14.812 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.021 10.871 -14.975 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.022 9.743 -15.899 1.00 0.00 H new ATOM 182 N ILE A 14 -6.870 5.767 -7.609 1.00 0.00 N ATOM 183 CA ILE A 14 -5.903 5.049 -6.789 1.00 0.00 C ATOM 184 C ILE A 14 -6.249 3.566 -6.701 1.00 0.00 C ATOM 185 O ILE A 14 -5.564 2.724 -7.280 1.00 0.00 O ATOM 186 CB ILE A 14 -5.829 5.632 -5.365 1.00 0.00 C ATOM 187 CG1 ILE A 14 -5.406 7.101 -5.414 1.00 0.00 C ATOM 188 CG2 ILE A 14 -4.863 4.825 -4.511 1.00 0.00 C ATOM 189 CD1 ILE A 14 -5.573 7.823 -4.095 1.00 0.00 C ATOM 0 H ILE A 14 -7.345 6.532 -7.130 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.933 5.165 -7.272 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.819 5.573 -4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.362 7.160 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.992 7.614 -6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.822 5.250 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.204 3.791 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.870 4.855 -4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.254 8.859 -4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.621 7.796 -3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.965 7.335 -3.333 1.00 0.00 H new ATOM 201 N GLU A 15 -7.318 3.256 -5.975 1.00 0.00 N ATOM 202 CA GLU A 15 -7.756 1.874 -5.813 1.00 0.00 C ATOM 203 C GLU A 15 -7.862 1.175 -7.166 1.00 0.00 C ATOM 204 O GLU A 15 -7.234 0.141 -7.391 1.00 0.00 O ATOM 205 CB GLU A 15 -9.106 1.824 -5.095 1.00 0.00 C ATOM 206 CG GLU A 15 -8.992 1.885 -3.581 1.00 0.00 C ATOM 207 CD GLU A 15 -10.337 2.052 -2.900 1.00 0.00 C ATOM 208 OE1 GLU A 15 -11.225 2.699 -3.493 1.00 0.00 O ATOM 209 OE2 GLU A 15 -10.500 1.535 -1.775 1.00 0.00 O ATOM 0 H GLU A 15 -7.896 3.942 -5.490 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.012 1.353 -5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.722 2.655 -5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.624 0.907 -5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.517 0.973 -3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.343 2.715 -3.303 1.00 0.00 H new ATOM 216 N GLU A 16 -8.661 1.748 -8.061 1.00 0.00 N ATOM 217 CA GLU A 16 -8.849 1.179 -9.390 1.00 0.00 C ATOM 218 C GLU A 16 -7.564 0.525 -9.890 1.00 0.00 C ATOM 219 O GLU A 16 -7.596 -0.527 -10.528 1.00 0.00 O ATOM 220 CB GLU A 16 -9.300 2.261 -10.373 1.00 0.00 C ATOM 221 CG GLU A 16 -10.797 2.518 -10.351 1.00 0.00 C ATOM 222 CD GLU A 16 -11.585 1.435 -11.063 1.00 0.00 C ATOM 223 OE1 GLU A 16 -11.974 0.452 -10.398 1.00 0.00 O ATOM 224 OE2 GLU A 16 -11.813 1.571 -12.283 1.00 0.00 O ATOM 0 H GLU A 16 -9.188 2.605 -7.890 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.622 0.414 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.777 3.189 -10.143 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.005 1.970 -11.381 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.135 2.588 -9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.004 3.480 -10.820 1.00 0.00 H new ATOM 231 N LYS A 17 -6.433 1.157 -9.595 1.00 0.00 N ATOM 232 CA LYS A 17 -5.136 0.639 -10.013 1.00 0.00 C ATOM 233 C LYS A 17 -4.736 -0.570 -9.172 1.00 0.00 C ATOM 234 O LYS A 17 -4.466 -1.647 -9.705 1.00 0.00 O ATOM 235 CB LYS A 17 -4.067 1.729 -9.898 1.00 0.00 C ATOM 236 CG LYS A 17 -3.956 2.604 -11.135 1.00 0.00 C ATOM 237 CD LYS A 17 -2.954 2.040 -12.128 1.00 0.00 C ATOM 238 CE LYS A 17 -3.177 2.600 -13.524 1.00 0.00 C ATOM 239 NZ LYS A 17 -4.299 1.915 -14.224 1.00 0.00 N ATOM 0 H LYS A 17 -6.389 2.029 -9.068 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.217 0.325 -11.054 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.293 2.358 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.102 1.261 -9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.933 2.689 -11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.655 3.610 -10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.942 2.275 -11.798 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.037 0.953 -12.153 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.388 3.667 -13.458 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.264 2.491 -14.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.419 2.325 -15.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.087 0.901 -14.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.176 2.040 -13.679 1.00 0.00 H new ATOM 253 N LEU A 18 -4.702 -0.384 -7.857 1.00 0.00 N ATOM 254 CA LEU A 18 -4.337 -1.461 -6.943 1.00 0.00 C ATOM 255 C LEU A 18 -5.166 -2.712 -7.215 1.00 0.00 C ATOM 256 O LEU A 18 -4.638 -3.824 -7.244 1.00 0.00 O ATOM 257 CB LEU A 18 -4.531 -1.012 -5.493 1.00 0.00 C ATOM 258 CG LEU A 18 -3.887 0.321 -5.111 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.669 0.990 -3.991 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.436 0.114 -4.701 1.00 0.00 C ATOM 0 H LEU A 18 -4.922 0.501 -7.400 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.287 -1.702 -7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.601 -0.946 -5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.132 -1.786 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.908 0.976 -5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.196 1.937 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.692 1.173 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.680 0.340 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.993 1.073 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.392 -0.558 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.882 -0.321 -5.532 1.00 0.00 H new ATOM 272 N ARG A 19 -6.466 -2.522 -7.418 1.00 0.00 N ATOM 273 CA ARG A 19 -7.367 -3.634 -7.689 1.00 0.00 C ATOM 274 C ARG A 19 -6.697 -4.671 -8.587 1.00 0.00 C ATOM 275 O ARG A 19 -6.641 -5.853 -8.251 1.00 0.00 O ATOM 276 CB ARG A 19 -8.652 -3.129 -8.348 1.00 0.00 C ATOM 277 CG ARG A 19 -9.682 -2.612 -7.357 1.00 0.00 C ATOM 278 CD ARG A 19 -10.476 -3.749 -6.734 1.00 0.00 C ATOM 279 NE ARG A 19 -11.382 -4.374 -7.693 1.00 0.00 N ATOM 280 CZ ARG A 19 -12.600 -3.914 -7.961 1.00 0.00 C ATOM 281 NH1 ARG A 19 -13.054 -2.832 -7.344 1.00 0.00 N ATOM 282 NH2 ARG A 19 -13.366 -4.538 -8.847 1.00 0.00 N ATOM 0 H ARG A 19 -6.918 -1.608 -7.400 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.615 -4.107 -6.739 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.402 -2.332 -9.048 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.094 -3.938 -8.930 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.181 -2.044 -6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.362 -1.926 -7.862 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.789 -4.499 -6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.049 -3.370 -5.888 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.063 -5.209 -8.184 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.468 -2.350 -6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.989 -2.481 -7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.020 -5.371 -9.323 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.301 -4.184 -9.052 1.00 0.00 H new ATOM 296 N ALA A 20 -6.191 -4.218 -9.729 1.00 0.00 N ATOM 297 CA ALA A 20 -5.523 -5.105 -10.673 1.00 0.00 C ATOM 298 C ALA A 20 -4.027 -5.186 -10.387 1.00 0.00 C ATOM 299 O ALA A 20 -3.373 -6.171 -10.729 1.00 0.00 O ATOM 300 CB ALA A 20 -5.765 -4.634 -12.100 1.00 0.00 C ATOM 0 H ALA A 20 -6.231 -3.242 -10.023 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.943 -6.104 -10.555 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.261 -5.305 -12.795 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.835 -4.635 -12.307 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.373 -3.624 -12.221 1.00 0.00 H new ATOM 306 N ALA A 21 -3.492 -4.144 -9.760 1.00 0.00 N ATOM 307 CA ALA A 21 -2.074 -4.098 -9.427 1.00 0.00 C ATOM 308 C ALA A 21 -1.653 -5.339 -8.646 1.00 0.00 C ATOM 309 O ALA A 21 -0.785 -6.095 -9.084 1.00 0.00 O ATOM 310 CB ALA A 21 -1.758 -2.840 -8.632 1.00 0.00 C ATOM 0 H ALA A 21 -4.020 -3.320 -9.472 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.508 -4.077 -10.359 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.695 -2.820 -8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.012 -1.961 -9.225 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.340 -2.836 -7.710 1.00 0.00 H new ATOM 316 N PHE A 22 -2.273 -5.543 -7.489 1.00 0.00 N ATOM 317 CA PHE A 22 -1.961 -6.692 -6.646 1.00 0.00 C ATOM 318 C PHE A 22 -3.159 -7.631 -6.543 1.00 0.00 C ATOM 319 O PHE A 22 -3.005 -8.852 -6.554 1.00 0.00 O ATOM 320 CB PHE A 22 -1.541 -6.228 -5.250 1.00 0.00 C ATOM 321 CG PHE A 22 -0.357 -5.304 -5.257 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.917 -5.791 -5.500 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.518 -3.948 -5.020 1.00 0.00 C ATOM 324 CE1 PHE A 22 2.009 -4.943 -5.507 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.570 -3.096 -5.026 1.00 0.00 C ATOM 326 CZ PHE A 22 1.835 -3.594 -5.269 1.00 0.00 C ATOM 0 H PHE A 22 -2.995 -4.928 -7.113 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.134 -7.234 -7.105 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.383 -5.724 -4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.307 -7.101 -4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.059 -6.845 -5.686 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.505 -3.553 -4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.997 -5.335 -5.698 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.431 -2.041 -4.841 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.686 -2.930 -5.273 1.00 0.00 H new ATOM 336 N GLN A 23 -4.351 -7.052 -6.443 1.00 0.00 N ATOM 337 CA GLN A 23 -5.575 -7.838 -6.336 1.00 0.00 C ATOM 338 C GLN A 23 -5.694 -8.476 -4.956 1.00 0.00 C ATOM 339 O GLN A 23 -5.908 -9.680 -4.819 1.00 0.00 O ATOM 340 CB GLN A 23 -5.607 -8.920 -7.416 1.00 0.00 C ATOM 341 CG GLN A 23 -5.108 -8.443 -8.771 1.00 0.00 C ATOM 342 CD GLN A 23 -5.064 -9.555 -9.801 1.00 0.00 C ATOM 343 OE1 GLN A 23 -4.298 -10.510 -9.668 1.00 0.00 O ATOM 344 NE2 GLN A 23 -5.887 -9.436 -10.835 1.00 0.00 N ATOM 0 H GLN A 23 -4.496 -6.042 -6.434 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.422 -7.167 -6.479 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.999 -9.764 -7.091 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.628 -9.285 -7.522 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.756 -7.644 -9.132 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.111 -8.018 -8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.505 -8.627 -10.905 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.902 -10.153 -11.560 1.00 0.00 H new ATOM 353 N PRO A 24 -5.551 -7.651 -3.908 1.00 0.00 N ATOM 354 CA PRO A 24 -5.639 -8.113 -2.519 1.00 0.00 C ATOM 355 C PRO A 24 -7.057 -8.519 -2.132 1.00 0.00 C ATOM 356 O PRO A 24 -7.927 -8.669 -2.990 1.00 0.00 O ATOM 357 CB PRO A 24 -5.192 -6.893 -1.711 1.00 0.00 C ATOM 358 CG PRO A 24 -5.496 -5.726 -2.586 1.00 0.00 C ATOM 359 CD PRO A 24 -5.294 -6.204 -3.997 1.00 0.00 C ATOM 0 HA PRO A 24 -5.032 -9.002 -2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.728 -6.828 -0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.129 -6.943 -1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.518 -5.380 -2.434 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.838 -4.887 -2.360 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.981 -5.716 -4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.284 -5.996 -4.351 1.00 0.00 H new ATOM 367 N VAL A 25 -7.283 -8.696 -0.834 1.00 0.00 N ATOM 368 CA VAL A 25 -8.596 -9.083 -0.333 1.00 0.00 C ATOM 369 C VAL A 25 -9.368 -7.873 0.180 1.00 0.00 C ATOM 370 O VAL A 25 -10.557 -7.719 -0.097 1.00 0.00 O ATOM 371 CB VAL A 25 -8.481 -10.122 0.799 1.00 0.00 C ATOM 372 CG1 VAL A 25 -7.776 -9.520 2.006 1.00 0.00 C ATOM 373 CG2 VAL A 25 -9.856 -10.647 1.182 1.00 0.00 C ATOM 0 H VAL A 25 -6.574 -8.577 -0.111 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.136 -9.526 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.884 -10.961 0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.704 -10.268 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.775 -9.197 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.344 -8.663 2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.756 -11.380 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.479 -9.820 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.320 -11.118 0.315 1.00 0.00 H new ATOM 383 N PHE A 26 -8.683 -7.015 0.928 1.00 0.00 N ATOM 384 CA PHE A 26 -9.304 -5.816 1.480 1.00 0.00 C ATOM 385 C PHE A 26 -8.834 -4.569 0.738 1.00 0.00 C ATOM 386 O PHE A 26 -7.730 -4.535 0.193 1.00 0.00 O ATOM 387 CB PHE A 26 -8.980 -5.689 2.970 1.00 0.00 C ATOM 388 CG PHE A 26 -9.827 -4.673 3.683 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.178 -4.899 3.886 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.271 -3.493 4.149 1.00 0.00 C ATOM 391 CE1 PHE A 26 -11.960 -3.967 4.542 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.048 -2.557 4.806 1.00 0.00 C ATOM 393 CZ PHE A 26 -11.394 -2.794 5.001 1.00 0.00 C ATOM 0 H PHE A 26 -7.698 -7.127 1.166 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.383 -5.906 1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.113 -6.660 3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.930 -5.419 3.084 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.626 -5.814 3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.219 -3.302 3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.012 -4.156 4.695 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.603 -1.641 5.166 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.003 -2.063 5.512 1.00 0.00 H new ATOM 403 N LEU A 27 -9.680 -3.545 0.719 1.00 0.00 N ATOM 404 CA LEU A 27 -9.353 -2.294 0.043 1.00 0.00 C ATOM 405 C LEU A 27 -10.230 -1.155 0.552 1.00 0.00 C ATOM 406 O LEU A 27 -11.451 -1.288 0.635 1.00 0.00 O ATOM 407 CB LEU A 27 -9.526 -2.449 -1.469 1.00 0.00 C ATOM 408 CG LEU A 27 -8.612 -1.586 -2.340 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.185 -2.110 -2.299 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.125 -1.544 -3.772 1.00 0.00 C ATOM 0 H LEU A 27 -10.598 -3.556 1.164 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.313 -2.052 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.361 -3.495 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.561 -2.218 -1.722 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.616 -0.571 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.549 -1.483 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.819 -2.088 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.163 -3.135 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.463 -0.926 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.151 -2.555 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.130 -1.121 -3.786 1.00 0.00 H new ATOM 422 N GLU A 28 -9.599 -0.035 0.891 1.00 0.00 N ATOM 423 CA GLU A 28 -10.323 1.128 1.391 1.00 0.00 C ATOM 424 C GLU A 28 -9.432 2.367 1.385 1.00 0.00 C ATOM 425 O GLU A 28 -8.214 2.271 1.536 1.00 0.00 O ATOM 426 CB GLU A 28 -10.839 0.865 2.807 1.00 0.00 C ATOM 427 CG GLU A 28 -11.951 1.809 3.235 1.00 0.00 C ATOM 428 CD GLU A 28 -11.423 3.112 3.803 1.00 0.00 C ATOM 429 OE1 GLU A 28 -10.376 3.083 4.482 1.00 0.00 O ATOM 430 OE2 GLU A 28 -12.059 4.161 3.569 1.00 0.00 O ATOM 0 H GLU A 28 -8.589 0.092 0.829 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.171 1.308 0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.202 -0.161 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.010 0.952 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.591 2.023 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.573 1.317 3.982 1.00 0.00 H new ATOM 437 N VAL A 29 -10.049 3.531 1.207 1.00 0.00 N ATOM 438 CA VAL A 29 -9.314 4.790 1.181 1.00 0.00 C ATOM 439 C VAL A 29 -10.079 5.888 1.911 1.00 0.00 C ATOM 440 O VAL A 29 -11.309 5.932 1.875 1.00 0.00 O ATOM 441 CB VAL A 29 -9.034 5.247 -0.263 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.224 6.534 -0.269 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.316 4.152 -1.038 1.00 0.00 C ATOM 0 H VAL A 29 -11.056 3.628 1.079 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.366 4.613 1.688 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.987 5.444 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.036 6.841 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.780 7.316 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.274 6.368 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.126 4.492 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.369 3.922 -0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.938 3.257 -1.064 1.00 0.00 H new ATOM 453 N VAL A 30 -9.342 6.776 2.572 1.00 0.00 N ATOM 454 CA VAL A 30 -9.951 7.876 3.310 1.00 0.00 C ATOM 455 C VAL A 30 -9.640 9.216 2.653 1.00 0.00 C ATOM 456 O VAL A 30 -8.595 9.816 2.906 1.00 0.00 O ATOM 457 CB VAL A 30 -9.466 7.908 4.772 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.051 9.107 5.502 1.00 0.00 C ATOM 459 CG2 VAL A 30 -9.828 6.613 5.481 1.00 0.00 C ATOM 0 H VAL A 30 -8.323 6.755 2.611 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.028 7.709 3.296 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.380 8.006 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.698 9.113 6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.736 10.025 5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.139 9.044 5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.478 6.653 6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.910 6.482 5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.356 5.774 4.970 1.00 0.00 H new ATOM 469 N ASP A 31 -10.554 9.681 1.809 1.00 0.00 N ATOM 470 CA ASP A 31 -10.379 10.952 1.116 1.00 0.00 C ATOM 471 C ASP A 31 -10.845 12.115 1.987 1.00 0.00 C ATOM 472 O ASP A 31 -11.850 12.011 2.689 1.00 0.00 O ATOM 473 CB ASP A 31 -11.148 10.948 -0.206 1.00 0.00 C ATOM 474 CG ASP A 31 -10.614 11.969 -1.190 1.00 0.00 C ATOM 475 OD1 ASP A 31 -9.709 11.620 -1.977 1.00 0.00 O ATOM 476 OD2 ASP A 31 -11.103 13.119 -1.175 1.00 0.00 O ATOM 0 H ASP A 31 -11.424 9.197 1.588 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.317 11.080 0.908 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.093 9.955 -0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.201 11.152 -0.011 1.00 0.00 H new ATOM 481 N GLU A 32 -10.108 13.220 1.935 1.00 0.00 N ATOM 482 CA GLU A 32 -10.446 14.400 2.721 1.00 0.00 C ATOM 483 C GLU A 32 -11.446 15.281 1.977 1.00 0.00 C ATOM 484 O GLU A 32 -11.219 16.477 1.793 1.00 0.00 O ATOM 485 CB GLU A 32 -9.184 15.203 3.045 1.00 0.00 C ATOM 486 CG GLU A 32 -8.452 15.709 1.813 1.00 0.00 C ATOM 487 CD GLU A 32 -7.561 14.653 1.190 1.00 0.00 C ATOM 488 OE1 GLU A 32 -6.398 14.524 1.626 1.00 0.00 O ATOM 489 OE2 GLU A 32 -8.028 13.955 0.265 1.00 0.00 O ATOM 0 H GLU A 32 -9.274 13.322 1.357 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.904 14.066 3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.455 16.053 3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.507 14.580 3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.180 16.046 1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.848 16.575 2.084 1.00 0.00 H new ATOM 496 N SER A 33 -12.552 14.680 1.551 1.00 0.00 N ATOM 497 CA SER A 33 -13.585 15.408 0.822 1.00 0.00 C ATOM 498 C SER A 33 -14.227 16.471 1.708 1.00 0.00 C ATOM 499 O SER A 33 -14.685 16.181 2.814 1.00 0.00 O ATOM 500 CB SER A 33 -14.654 14.441 0.310 1.00 0.00 C ATOM 501 OG SER A 33 -15.503 15.073 -0.633 1.00 0.00 O ATOM 0 H SER A 33 -12.756 13.691 1.698 1.00 0.00 H new ATOM 0 HA SER A 33 -13.116 15.903 -0.028 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.176 13.575 -0.149 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.246 14.072 1.147 1.00 0.00 H new ATOM 0 HG SER A 33 -15.830 14.409 -1.275 1.00 0.00 H new ATOM 507 N TYR A 34 -14.257 17.704 1.214 1.00 0.00 N ATOM 508 CA TYR A 34 -14.841 18.812 1.961 1.00 0.00 C ATOM 509 C TYR A 34 -16.266 18.486 2.396 1.00 0.00 C ATOM 510 O TYR A 34 -16.688 18.843 3.496 1.00 0.00 O ATOM 511 CB TYR A 34 -14.834 20.085 1.113 1.00 0.00 C ATOM 512 CG TYR A 34 -15.831 20.061 -0.023 1.00 0.00 C ATOM 513 CD1 TYR A 34 -15.598 19.300 -1.163 1.00 0.00 C ATOM 514 CD2 TYR A 34 -17.006 20.800 0.042 1.00 0.00 C ATOM 515 CE1 TYR A 34 -16.506 19.276 -2.203 1.00 0.00 C ATOM 516 CE2 TYR A 34 -17.921 20.781 -0.994 1.00 0.00 C ATOM 517 CZ TYR A 34 -17.666 20.017 -2.114 1.00 0.00 C ATOM 518 OH TYR A 34 -18.574 19.996 -3.148 1.00 0.00 O ATOM 0 H TYR A 34 -13.884 17.961 0.300 1.00 0.00 H new ATOM 0 HA TYR A 34 -14.236 18.973 2.854 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.047 20.940 1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -13.834 20.234 0.705 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.691 18.718 -1.236 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -17.208 21.400 0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.309 18.680 -3.082 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -18.830 21.361 -0.927 1.00 0.00 H new ATOM 0 HH TYR A 34 -19.336 20.571 -2.926 1.00 0.00 H new ATOM 528 N ARG A 35 -17.002 17.804 1.525 1.00 0.00 N ATOM 529 CA ARG A 35 -18.380 17.428 1.818 1.00 0.00 C ATOM 530 C ARG A 35 -18.509 16.904 3.245 1.00 0.00 C ATOM 531 O ARG A 35 -19.485 17.192 3.938 1.00 0.00 O ATOM 532 CB ARG A 35 -18.864 16.368 0.827 1.00 0.00 C ATOM 533 CG ARG A 35 -18.201 15.012 1.015 1.00 0.00 C ATOM 534 CD ARG A 35 -18.664 14.016 -0.037 1.00 0.00 C ATOM 535 NE ARG A 35 -18.573 12.638 0.437 1.00 0.00 N ATOM 536 CZ ARG A 35 -19.251 11.630 -0.099 1.00 0.00 C ATOM 537 NH1 ARG A 35 -20.066 11.845 -1.123 1.00 0.00 N ATOM 538 NH2 ARG A 35 -19.115 10.403 0.388 1.00 0.00 N ATOM 0 H ARG A 35 -16.667 17.500 0.611 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.002 18.318 1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -19.943 16.253 0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -18.675 16.718 -0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -17.118 15.124 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -18.432 14.627 2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -19.694 14.236 -0.316 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -18.059 14.131 -0.936 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.955 12.439 1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -20.173 12.786 -1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -20.586 11.069 -1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.489 10.233 1.175 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -19.637 9.630 -0.025 1.00 0.00 H new ATOM 552 N HIS A 36 -17.517 16.131 3.678 1.00 0.00 N ATOM 553 CA HIS A 36 -17.520 15.566 5.023 1.00 0.00 C ATOM 554 C HIS A 36 -17.638 16.666 6.074 1.00 0.00 C ATOM 555 O HIS A 36 -16.997 17.711 5.967 1.00 0.00 O ATOM 556 CB HIS A 36 -16.247 14.753 5.259 1.00 0.00 C ATOM 557 CG HIS A 36 -16.299 13.375 4.674 1.00 0.00 C ATOM 558 ND1 HIS A 36 -16.119 12.232 5.424 1.00 0.00 N ATOM 559 CD2 HIS A 36 -16.515 12.960 3.404 1.00 0.00 C ATOM 560 CE1 HIS A 36 -16.220 11.173 4.640 1.00 0.00 C ATOM 561 NE2 HIS A 36 -16.460 11.588 3.409 1.00 0.00 N ATOM 0 H HIS A 36 -16.702 15.882 3.117 1.00 0.00 H new ATOM 0 HA HIS A 36 -18.384 14.908 5.113 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -15.399 15.288 4.831 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -16.068 14.677 6.331 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -16.697 13.591 2.546 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -16.123 10.144 4.952 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -16.584 10.987 2.594 1.00 0.00 H new ATOM 570 N ASN A 37 -18.461 16.422 7.088 1.00 0.00 N ATOM 571 CA ASN A 37 -18.664 17.392 8.158 1.00 0.00 C ATOM 572 C ASN A 37 -17.402 17.542 9.003 1.00 0.00 C ATOM 573 O ASN A 37 -17.306 16.989 10.098 1.00 0.00 O ATOM 574 CB ASN A 37 -19.837 16.968 9.044 1.00 0.00 C ATOM 575 CG ASN A 37 -20.200 18.025 10.068 1.00 0.00 C ATOM 576 OD1 ASN A 37 -20.283 19.212 9.749 1.00 0.00 O ATOM 577 ND2 ASN A 37 -20.419 17.599 11.306 1.00 0.00 N ATOM 0 H ASN A 37 -18.998 15.561 7.192 1.00 0.00 H new ATOM 0 HA ASN A 37 -18.892 18.356 7.702 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -20.705 16.759 8.418 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -19.584 16.040 9.557 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -20.667 18.265 12.038 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -20.339 16.606 11.525 1.00 0.00 H new ATOM 584 N VAL A 38 -16.436 18.294 8.485 1.00 0.00 N ATOM 585 CA VAL A 38 -15.181 18.519 9.192 1.00 0.00 C ATOM 586 C VAL A 38 -14.900 20.009 9.353 1.00 0.00 C ATOM 587 O VAL A 38 -15.264 20.829 8.511 1.00 0.00 O ATOM 588 CB VAL A 38 -13.998 17.862 8.457 1.00 0.00 C ATOM 589 CG1 VAL A 38 -14.197 16.357 8.363 1.00 0.00 C ATOM 590 CG2 VAL A 38 -13.825 18.472 7.074 1.00 0.00 C ATOM 0 H VAL A 38 -16.499 18.758 7.579 1.00 0.00 H new ATOM 0 HA VAL A 38 -15.286 18.064 10.177 1.00 0.00 H new ATOM 0 HB VAL A 38 -13.089 18.049 9.028 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.351 15.910 7.841 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.268 15.936 9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.115 16.145 7.815 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.985 17.996 6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.733 18.317 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.633 19.541 7.169 1.00 0.00 H new ATOM 600 N PRO A 39 -14.237 20.369 10.462 1.00 0.00 N ATOM 601 CA PRO A 39 -13.891 21.762 10.760 1.00 0.00 C ATOM 602 C PRO A 39 -12.818 22.307 9.823 1.00 0.00 C ATOM 603 O PRO A 39 -12.366 21.613 8.913 1.00 0.00 O ATOM 604 CB PRO A 39 -13.364 21.697 12.196 1.00 0.00 C ATOM 605 CG PRO A 39 -12.871 20.300 12.355 1.00 0.00 C ATOM 606 CD PRO A 39 -13.772 19.444 11.509 1.00 0.00 C ATOM 0 HA PRO A 39 -14.744 22.429 10.634 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.564 22.420 12.357 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.149 21.924 12.917 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.834 20.213 12.032 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.906 19.990 13.399 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.237 18.594 11.085 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -14.603 19.041 12.088 1.00 0.00 H new ATOM 614 N ALA A 40 -12.416 23.552 10.052 1.00 0.00 N ATOM 615 CA ALA A 40 -11.394 24.189 9.230 1.00 0.00 C ATOM 616 C ALA A 40 -10.103 23.377 9.233 1.00 0.00 C ATOM 617 O ALA A 40 -9.278 23.509 10.136 1.00 0.00 O ATOM 618 CB ALA A 40 -11.131 25.605 9.718 1.00 0.00 C ATOM 0 H ALA A 40 -12.782 24.140 10.800 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.762 24.233 8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.366 26.068 9.095 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.050 26.187 9.657 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.788 25.576 10.752 1.00 0.00 H new ATOM 624 N GLY A 41 -9.935 22.537 8.216 1.00 0.00 N ATOM 625 CA GLY A 41 -8.742 21.717 8.121 1.00 0.00 C ATOM 626 C GLY A 41 -8.617 21.028 6.777 1.00 0.00 C ATOM 627 O GLY A 41 -8.318 21.668 5.769 1.00 0.00 O ATOM 0 H GLY A 41 -10.604 22.410 7.457 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.863 22.339 8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.757 20.966 8.911 1.00 0.00 H new ATOM 631 N SER A 42 -8.844 19.718 6.761 1.00 0.00 N ATOM 632 CA SER A 42 -8.750 18.941 5.531 1.00 0.00 C ATOM 633 C SER A 42 -7.395 19.145 4.861 1.00 0.00 C ATOM 634 O SER A 42 -7.316 19.380 3.656 1.00 0.00 O ATOM 635 CB SER A 42 -9.872 19.333 4.568 1.00 0.00 C ATOM 636 OG SER A 42 -11.117 18.808 4.995 1.00 0.00 O ATOM 0 H SER A 42 -9.094 19.173 7.586 1.00 0.00 H new ATOM 0 HA SER A 42 -8.853 17.887 5.788 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.935 20.419 4.501 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.642 18.965 3.568 1.00 0.00 H new ATOM 0 HG SER A 42 -11.818 19.074 4.364 1.00 0.00 H new ATOM 642 N GLU A 43 -6.331 19.055 5.653 1.00 0.00 N ATOM 643 CA GLU A 43 -4.978 19.231 5.137 1.00 0.00 C ATOM 644 C GLU A 43 -4.166 17.948 5.289 1.00 0.00 C ATOM 645 O GLU A 43 -4.261 17.257 6.304 1.00 0.00 O ATOM 646 CB GLU A 43 -4.277 20.380 5.864 1.00 0.00 C ATOM 647 CG GLU A 43 -4.084 20.133 7.351 1.00 0.00 C ATOM 648 CD GLU A 43 -5.336 20.416 8.157 1.00 0.00 C ATOM 649 OE1 GLU A 43 -5.539 21.585 8.547 1.00 0.00 O ATOM 650 OE2 GLU A 43 -6.113 19.469 8.398 1.00 0.00 O ATOM 0 H GLU A 43 -6.379 18.861 6.653 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.050 19.471 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.304 20.550 5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.858 21.292 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.782 19.097 7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.271 20.760 7.717 1.00 0.00 H new ATOM 657 N SER A 44 -3.369 17.636 4.273 1.00 0.00 N ATOM 658 CA SER A 44 -2.543 16.434 4.291 1.00 0.00 C ATOM 659 C SER A 44 -3.254 15.297 5.020 1.00 0.00 C ATOM 660 O SER A 44 -2.650 14.587 5.824 1.00 0.00 O ATOM 661 CB SER A 44 -1.199 16.723 4.961 1.00 0.00 C ATOM 662 OG SER A 44 -1.355 16.913 6.357 1.00 0.00 O ATOM 0 H SER A 44 -3.277 18.198 3.427 1.00 0.00 H new ATOM 0 HA SER A 44 -2.368 16.128 3.260 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.513 15.896 4.778 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.752 17.613 4.517 1.00 0.00 H new ATOM 0 HG SER A 44 -1.732 16.102 6.757 1.00 0.00 H new ATOM 668 N HIS A 45 -4.541 15.131 4.731 1.00 0.00 N ATOM 669 CA HIS A 45 -5.335 14.081 5.358 1.00 0.00 C ATOM 670 C HIS A 45 -5.711 13.005 4.344 1.00 0.00 C ATOM 671 O HIS A 45 -6.742 13.099 3.678 1.00 0.00 O ATOM 672 CB HIS A 45 -6.599 14.672 5.983 1.00 0.00 C ATOM 673 CG HIS A 45 -7.206 13.805 7.043 1.00 0.00 C ATOM 674 ND1 HIS A 45 -6.733 13.754 8.337 1.00 0.00 N ATOM 675 CD2 HIS A 45 -8.256 12.951 6.994 1.00 0.00 C ATOM 676 CE1 HIS A 45 -7.464 12.906 9.038 1.00 0.00 C ATOM 677 NE2 HIS A 45 -8.395 12.405 8.246 1.00 0.00 N ATOM 0 H HIS A 45 -5.056 15.710 4.067 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.731 13.623 6.141 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.361 15.645 6.413 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.336 14.843 5.199 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.870 12.739 6.131 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.324 12.664 10.081 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.102 11.723 8.520 1.00 0.00 H new ATOM 686 N PHE A 46 -4.867 11.985 4.231 1.00 0.00 N ATOM 687 CA PHE A 46 -5.110 10.892 3.296 1.00 0.00 C ATOM 688 C PHE A 46 -4.572 9.575 3.848 1.00 0.00 C ATOM 689 O PHE A 46 -3.458 9.515 4.368 1.00 0.00 O ATOM 690 CB PHE A 46 -4.460 11.195 1.944 1.00 0.00 C ATOM 691 CG PHE A 46 -5.174 10.566 0.782 1.00 0.00 C ATOM 692 CD1 PHE A 46 -6.511 10.842 0.541 1.00 0.00 C ATOM 693 CD2 PHE A 46 -4.508 9.700 -0.070 1.00 0.00 C ATOM 694 CE1 PHE A 46 -7.170 10.264 -0.527 1.00 0.00 C ATOM 695 CE2 PHE A 46 -5.162 9.120 -1.141 1.00 0.00 C ATOM 696 CZ PHE A 46 -6.494 9.403 -1.370 1.00 0.00 C ATOM 0 H PHE A 46 -4.009 11.892 4.775 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.187 10.796 3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.428 12.275 1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.428 10.844 1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -7.043 11.516 1.195 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.466 9.475 0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.212 10.485 -0.703 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.632 8.446 -1.798 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.007 8.952 -2.207 1.00 0.00 H new ATOM 706 N LYS A 47 -5.372 8.520 3.730 1.00 0.00 N ATOM 707 CA LYS A 47 -4.979 7.203 4.216 1.00 0.00 C ATOM 708 C LYS A 47 -5.546 6.103 3.324 1.00 0.00 C ATOM 709 O LYS A 47 -6.625 6.250 2.750 1.00 0.00 O ATOM 710 CB LYS A 47 -5.456 7.004 5.656 1.00 0.00 C ATOM 711 CG LYS A 47 -5.158 5.621 6.210 1.00 0.00 C ATOM 712 CD LYS A 47 -6.108 5.255 7.337 1.00 0.00 C ATOM 713 CE LYS A 47 -7.351 4.552 6.813 1.00 0.00 C ATOM 714 NZ LYS A 47 -8.457 4.564 7.810 1.00 0.00 N ATOM 0 H LYS A 47 -6.297 8.552 3.302 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.891 7.143 4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.983 7.751 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.531 7.181 5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.238 4.883 5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.131 5.587 6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.596 4.608 8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.399 6.157 7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.684 5.038 5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.105 3.522 6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.329 4.214 7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.208 3.951 8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.607 5.535 8.150 1.00 0.00 H new ATOM 728 N VAL A 48 -4.812 5.000 3.214 1.00 0.00 N ATOM 729 CA VAL A 48 -5.244 3.874 2.394 1.00 0.00 C ATOM 730 C VAL A 48 -4.981 2.548 3.100 1.00 0.00 C ATOM 731 O VAL A 48 -3.908 2.335 3.664 1.00 0.00 O ATOM 732 CB VAL A 48 -4.530 3.867 1.029 1.00 0.00 C ATOM 733 CG1 VAL A 48 -4.805 2.567 0.289 1.00 0.00 C ATOM 734 CG2 VAL A 48 -4.960 5.065 0.197 1.00 0.00 C ATOM 0 H VAL A 48 -3.916 4.862 3.682 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.316 3.991 2.234 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.456 3.939 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.292 2.580 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.442 1.727 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.878 2.460 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.446 5.044 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.037 5.027 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.706 5.984 0.724 1.00 0.00 H new ATOM 744 N VAL A 49 -5.969 1.659 3.064 1.00 0.00 N ATOM 745 CA VAL A 49 -5.844 0.352 3.698 1.00 0.00 C ATOM 746 C VAL A 49 -5.887 -0.767 2.664 1.00 0.00 C ATOM 747 O VAL A 49 -6.844 -0.883 1.897 1.00 0.00 O ATOM 748 CB VAL A 49 -6.961 0.123 4.734 1.00 0.00 C ATOM 749 CG1 VAL A 49 -6.721 -1.168 5.501 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.058 1.307 5.683 1.00 0.00 C ATOM 0 H VAL A 49 -6.864 1.820 2.603 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.879 0.336 4.205 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.910 0.032 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.520 -1.313 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.707 -2.007 4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.764 -1.110 6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.852 1.128 6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.110 1.432 6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.281 2.211 5.116 1.00 0.00 H new ATOM 760 N LEU A 50 -4.845 -1.591 2.648 1.00 0.00 N ATOM 761 CA LEU A 50 -4.763 -2.703 1.708 1.00 0.00 C ATOM 762 C LEU A 50 -4.215 -3.953 2.390 1.00 0.00 C ATOM 763 O LEU A 50 -3.028 -4.031 2.706 1.00 0.00 O ATOM 764 CB LEU A 50 -3.877 -2.327 0.519 1.00 0.00 C ATOM 765 CG LEU A 50 -3.664 -3.419 -0.531 1.00 0.00 C ATOM 766 CD1 LEU A 50 -3.453 -2.803 -1.905 1.00 0.00 C ATOM 767 CD2 LEU A 50 -2.483 -4.300 -0.152 1.00 0.00 C ATOM 0 H LEU A 50 -4.045 -1.510 3.276 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.769 -2.919 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.313 -1.458 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.902 -2.022 0.900 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.558 -4.041 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.303 -3.594 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.329 -2.215 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.575 -2.157 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.346 -5.071 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.581 -3.691 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.674 -4.770 0.813 1.00 0.00 H new ATOM 779 N VAL A 51 -5.088 -4.930 2.612 1.00 0.00 N ATOM 780 CA VAL A 51 -4.691 -6.178 3.253 1.00 0.00 C ATOM 781 C VAL A 51 -4.263 -7.215 2.220 1.00 0.00 C ATOM 782 O VAL A 51 -5.007 -7.522 1.289 1.00 0.00 O ATOM 783 CB VAL A 51 -5.835 -6.760 4.105 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.426 -8.096 4.707 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.241 -5.778 5.193 1.00 0.00 C ATOM 0 H VAL A 51 -6.075 -4.882 2.358 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.846 -5.946 3.902 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.697 -6.928 3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.247 -8.492 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.188 -8.798 3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.550 -7.957 5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.050 -6.205 5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.386 -5.576 5.839 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.578 -4.848 4.736 1.00 0.00 H new ATOM 795 N SER A 52 -3.059 -7.751 2.392 1.00 0.00 N ATOM 796 CA SER A 52 -2.530 -8.752 1.472 1.00 0.00 C ATOM 797 C SER A 52 -1.556 -9.684 2.186 1.00 0.00 C ATOM 798 O SER A 52 -0.977 -9.327 3.212 1.00 0.00 O ATOM 799 CB SER A 52 -1.833 -8.072 0.292 1.00 0.00 C ATOM 800 OG SER A 52 -1.620 -8.987 -0.770 1.00 0.00 O ATOM 0 H SER A 52 -2.432 -7.509 3.159 1.00 0.00 H new ATOM 0 HA SER A 52 -3.365 -9.345 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.438 -7.236 -0.060 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.878 -7.659 0.618 1.00 0.00 H new ATOM 0 HG SER A 52 -1.175 -8.528 -1.513 1.00 0.00 H new ATOM 806 N ASP A 53 -1.380 -10.880 1.635 1.00 0.00 N ATOM 807 CA ASP A 53 -0.475 -11.864 2.216 1.00 0.00 C ATOM 808 C ASP A 53 0.970 -11.575 1.822 1.00 0.00 C ATOM 809 O ASP A 53 1.892 -11.777 2.612 1.00 0.00 O ATOM 810 CB ASP A 53 -0.866 -13.274 1.770 1.00 0.00 C ATOM 811 CG ASP A 53 -1.332 -13.317 0.328 1.00 0.00 C ATOM 812 OD1 ASP A 53 -2.461 -12.859 0.056 1.00 0.00 O ATOM 813 OD2 ASP A 53 -0.567 -13.809 -0.528 1.00 0.00 O ATOM 0 H ASP A 53 -1.853 -11.191 0.786 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.556 -11.798 3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.012 -13.941 1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.659 -13.649 2.416 1.00 0.00 H new ATOM 818 N ARG A 54 1.159 -11.102 0.594 1.00 0.00 N ATOM 819 CA ARG A 54 2.492 -10.787 0.094 1.00 0.00 C ATOM 820 C ARG A 54 3.354 -10.173 1.193 1.00 0.00 C ATOM 821 O ARG A 54 4.574 -10.338 1.205 1.00 0.00 O ATOM 822 CB ARG A 54 2.400 -9.827 -1.094 1.00 0.00 C ATOM 823 CG ARG A 54 2.207 -10.527 -2.429 1.00 0.00 C ATOM 824 CD ARG A 54 3.514 -11.103 -2.950 1.00 0.00 C ATOM 825 NE ARG A 54 3.490 -11.295 -4.397 1.00 0.00 N ATOM 826 CZ ARG A 54 4.500 -11.813 -5.087 1.00 0.00 C ATOM 827 NH1 ARG A 54 5.608 -12.189 -4.464 1.00 0.00 N ATOM 828 NH2 ARG A 54 4.402 -11.956 -6.403 1.00 0.00 N ATOM 0 H ARG A 54 0.406 -10.929 -0.072 1.00 0.00 H new ATOM 0 HA ARG A 54 2.959 -11.716 -0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.570 -9.139 -0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.309 -9.226 -1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.474 -11.326 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.804 -9.822 -3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.335 -10.436 -2.687 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.710 -12.057 -2.461 1.00 0.00 H new ATOM 0 HE ARG A 54 2.651 -11.016 -4.906 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.686 -12.081 -3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.382 -12.587 -4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.551 -11.668 -6.885 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.178 -12.354 -6.932 1.00 0.00 H new ATOM 842 N PHE A 55 2.711 -9.463 2.115 1.00 0.00 N ATOM 843 CA PHE A 55 3.419 -8.822 3.217 1.00 0.00 C ATOM 844 C PHE A 55 3.508 -9.755 4.421 1.00 0.00 C ATOM 845 O PHE A 55 3.363 -9.326 5.566 1.00 0.00 O ATOM 846 CB PHE A 55 2.717 -7.523 3.615 1.00 0.00 C ATOM 847 CG PHE A 55 2.225 -6.723 2.443 1.00 0.00 C ATOM 848 CD1 PHE A 55 3.118 -6.197 1.522 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.870 -6.497 2.261 1.00 0.00 C ATOM 850 CE1 PHE A 55 2.669 -5.462 0.442 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.415 -5.762 1.182 1.00 0.00 C ATOM 852 CZ PHE A 55 1.316 -5.243 0.272 1.00 0.00 C ATOM 0 H PHE A 55 1.701 -9.317 2.121 1.00 0.00 H new ATOM 0 HA PHE A 55 4.430 -8.592 2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.873 -7.760 4.263 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.405 -6.912 4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.177 -6.364 1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.162 -6.899 2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.375 -5.059 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.644 -5.594 1.051 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.963 -4.667 -0.571 1.00 0.00 H new ATOM 862 N THR A 56 3.747 -11.035 4.154 1.00 0.00 N ATOM 863 CA THR A 56 3.854 -12.030 5.214 1.00 0.00 C ATOM 864 C THR A 56 5.304 -12.221 5.645 1.00 0.00 C ATOM 865 O THR A 56 5.607 -12.262 6.837 1.00 0.00 O ATOM 866 CB THR A 56 3.280 -13.389 4.769 1.00 0.00 C ATOM 867 OG1 THR A 56 3.286 -14.307 5.868 1.00 0.00 O ATOM 868 CG2 THR A 56 4.086 -13.965 3.615 1.00 0.00 C ATOM 0 H THR A 56 3.870 -11.407 3.212 1.00 0.00 H new ATOM 0 HA THR A 56 3.273 -11.657 6.057 1.00 0.00 H new ATOM 0 HB THR A 56 2.255 -13.233 4.433 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.918 -15.168 5.577 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.662 -14.924 3.318 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.054 -13.277 2.770 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.120 -14.107 3.929 1.00 0.00 H new ATOM 876 N GLY A 57 6.197 -12.337 4.667 1.00 0.00 N ATOM 877 CA GLY A 57 7.605 -12.521 4.966 1.00 0.00 C ATOM 878 C GLY A 57 8.504 -11.731 4.036 1.00 0.00 C ATOM 879 O GLY A 57 9.581 -12.194 3.663 1.00 0.00 O ATOM 0 H GLY A 57 5.970 -12.307 3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.797 -12.219 5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.853 -13.580 4.893 1.00 0.00 H new ATOM 883 N GLU A 58 8.059 -10.536 3.659 1.00 0.00 N ATOM 884 CA GLU A 58 8.831 -9.682 2.765 1.00 0.00 C ATOM 885 C GLU A 58 9.686 -8.696 3.556 1.00 0.00 C ATOM 886 O GLU A 58 9.597 -8.626 4.782 1.00 0.00 O ATOM 887 CB GLU A 58 7.899 -8.921 1.820 1.00 0.00 C ATOM 888 CG GLU A 58 7.618 -9.655 0.520 1.00 0.00 C ATOM 889 CD GLU A 58 8.618 -9.317 -0.569 1.00 0.00 C ATOM 890 OE1 GLU A 58 9.808 -9.662 -0.410 1.00 0.00 O ATOM 891 OE2 GLU A 58 8.210 -8.709 -1.580 1.00 0.00 O ATOM 0 H GLU A 58 7.169 -10.138 3.959 1.00 0.00 H new ATOM 0 HA GLU A 58 9.492 -10.319 2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.955 -8.730 2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.340 -7.951 1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.635 -10.729 0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.614 -9.406 0.176 1.00 0.00 H new ATOM 898 N ARG A 59 10.514 -7.937 2.846 1.00 0.00 N ATOM 899 CA ARG A 59 11.387 -6.957 3.481 1.00 0.00 C ATOM 900 C ARG A 59 10.582 -5.994 4.349 1.00 0.00 C ATOM 901 O ARG A 59 9.354 -6.065 4.398 1.00 0.00 O ATOM 902 CB ARG A 59 12.167 -6.176 2.423 1.00 0.00 C ATOM 903 CG ARG A 59 13.499 -6.810 2.057 1.00 0.00 C ATOM 904 CD ARG A 59 13.352 -7.789 0.903 1.00 0.00 C ATOM 905 NE ARG A 59 14.441 -8.761 0.867 1.00 0.00 N ATOM 906 CZ ARG A 59 14.523 -9.804 1.685 1.00 0.00 C ATOM 907 NH1 ARG A 59 13.583 -10.010 2.597 1.00 0.00 N ATOM 908 NH2 ARG A 59 15.545 -10.644 1.590 1.00 0.00 N ATOM 0 H ARG A 59 10.599 -7.982 1.831 1.00 0.00 H new ATOM 0 HA ARG A 59 12.090 -7.493 4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.556 -6.089 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.344 -5.164 2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.212 -6.031 1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.907 -7.328 2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.401 -8.314 0.992 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.326 -7.239 -0.038 1.00 0.00 H new ATOM 0 HE ARG A 59 15.180 -8.632 0.175 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.795 -9.367 2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.648 -10.812 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.269 -10.489 0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.607 -11.445 2.219 1.00 0.00 H new ATOM 922 N PHE A 60 11.282 -5.096 5.033 1.00 0.00 N ATOM 923 CA PHE A 60 10.633 -4.120 5.901 1.00 0.00 C ATOM 924 C PHE A 60 10.208 -2.886 5.109 1.00 0.00 C ATOM 925 O PHE A 60 9.143 -2.316 5.350 1.00 0.00 O ATOM 926 CB PHE A 60 11.573 -3.712 7.037 1.00 0.00 C ATOM 927 CG PHE A 60 11.047 -2.579 7.872 1.00 0.00 C ATOM 928 CD1 PHE A 60 10.215 -2.824 8.952 1.00 0.00 C ATOM 929 CD2 PHE A 60 11.385 -1.268 7.576 1.00 0.00 C ATOM 930 CE1 PHE A 60 9.730 -1.784 9.722 1.00 0.00 C ATOM 931 CE2 PHE A 60 10.903 -0.224 8.342 1.00 0.00 C ATOM 932 CZ PHE A 60 10.074 -0.482 9.416 1.00 0.00 C ATOM 0 H PHE A 60 12.299 -5.023 5.003 1.00 0.00 H new ATOM 0 HA PHE A 60 9.742 -4.583 6.325 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.750 -4.575 7.679 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.537 -3.426 6.616 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.942 -3.840 9.195 1.00 0.00 H new ATOM 0 HD2 PHE A 60 12.033 -1.060 6.737 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.083 -1.989 10.562 1.00 0.00 H new ATOM 0 HE2 PHE A 60 11.174 0.793 8.101 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.695 0.333 10.015 1.00 0.00 H new ATOM 942 N LEU A 61 11.048 -2.479 4.164 1.00 0.00 N ATOM 943 CA LEU A 61 10.761 -1.313 3.336 1.00 0.00 C ATOM 944 C LEU A 61 9.953 -1.706 2.103 1.00 0.00 C ATOM 945 O LEU A 61 8.930 -1.094 1.799 1.00 0.00 O ATOM 946 CB LEU A 61 12.064 -0.633 2.910 1.00 0.00 C ATOM 947 CG LEU A 61 12.597 0.445 3.854 1.00 0.00 C ATOM 948 CD1 LEU A 61 14.070 0.711 3.583 1.00 0.00 C ATOM 949 CD2 LEU A 61 11.788 1.726 3.714 1.00 0.00 C ATOM 0 H LEU A 61 11.933 -2.939 3.952 1.00 0.00 H new ATOM 0 HA LEU A 61 10.170 -0.614 3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.830 -1.400 2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.913 -0.185 1.928 1.00 0.00 H new ATOM 0 HG LEU A 61 12.495 0.085 4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.432 1.481 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.639 -0.206 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.195 1.049 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.182 2.481 4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.856 2.089 2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.745 1.526 3.959 1.00 0.00 H new ATOM 961 N ASN A 62 10.419 -2.732 1.399 1.00 0.00 N ATOM 962 CA ASN A 62 9.738 -3.208 0.200 1.00 0.00 C ATOM 963 C ASN A 62 8.233 -3.301 0.430 1.00 0.00 C ATOM 964 O ASN A 62 7.440 -2.821 -0.380 1.00 0.00 O ATOM 965 CB ASN A 62 10.287 -4.574 -0.215 1.00 0.00 C ATOM 966 CG ASN A 62 10.095 -4.849 -1.694 1.00 0.00 C ATOM 967 OD1 ASN A 62 10.445 -4.026 -2.541 1.00 0.00 O ATOM 968 ND2 ASN A 62 9.536 -6.011 -2.012 1.00 0.00 N ATOM 0 H ASN A 62 11.265 -3.250 1.638 1.00 0.00 H new ATOM 0 HA ASN A 62 9.922 -2.491 -0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.349 -4.624 0.026 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.791 -5.353 0.364 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.381 -6.251 -2.991 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.262 -6.663 -1.277 1.00 0.00 H new ATOM 975 N ARG A 63 7.847 -3.921 1.540 1.00 0.00 N ATOM 976 CA ARG A 63 6.437 -4.078 1.877 1.00 0.00 C ATOM 977 C ARG A 63 5.646 -2.829 1.501 1.00 0.00 C ATOM 978 O ARG A 63 4.502 -2.916 1.054 1.00 0.00 O ATOM 979 CB ARG A 63 6.276 -4.367 3.371 1.00 0.00 C ATOM 980 CG ARG A 63 6.708 -3.215 4.263 1.00 0.00 C ATOM 981 CD ARG A 63 5.552 -2.271 4.554 1.00 0.00 C ATOM 982 NE ARG A 63 5.979 -1.102 5.319 1.00 0.00 N ATOM 983 CZ ARG A 63 5.162 -0.388 6.085 1.00 0.00 C ATOM 984 NH1 ARG A 63 3.883 -0.721 6.188 1.00 0.00 N ATOM 985 NH2 ARG A 63 5.625 0.662 6.751 1.00 0.00 N ATOM 0 H ARG A 63 8.491 -4.323 2.221 1.00 0.00 H new ATOM 0 HA ARG A 63 6.045 -4.921 1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.232 -4.603 3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.859 -5.252 3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.103 -3.607 5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.516 -2.664 3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.104 -1.946 3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.779 -2.804 5.108 1.00 0.00 H new ATOM 0 HE ARG A 63 6.957 -0.819 5.262 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.523 -1.528 5.678 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.258 -0.170 6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.609 0.921 6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.997 1.210 7.339 1.00 0.00 H new ATOM 999 N HIS A 64 6.263 -1.666 1.687 1.00 0.00 N ATOM 1000 CA HIS A 64 5.617 -0.398 1.367 1.00 0.00 C ATOM 1001 C HIS A 64 5.948 0.037 -0.057 1.00 0.00 C ATOM 1002 O HIS A 64 5.054 0.316 -0.855 1.00 0.00 O ATOM 1003 CB HIS A 64 6.051 0.683 2.358 1.00 0.00 C ATOM 1004 CG HIS A 64 7.283 1.423 1.935 1.00 0.00 C ATOM 1005 ND1 HIS A 64 7.295 2.339 0.905 1.00 0.00 N ATOM 1006 CD2 HIS A 64 8.549 1.378 2.412 1.00 0.00 C ATOM 1007 CE1 HIS A 64 8.515 2.825 0.765 1.00 0.00 C ATOM 1008 NE2 HIS A 64 9.295 2.258 1.668 1.00 0.00 N ATOM 0 H HIS A 64 7.209 -1.576 2.057 1.00 0.00 H new ATOM 0 HA HIS A 64 4.539 -0.538 1.443 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.236 1.395 2.487 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.229 0.223 3.330 1.00 0.00 H new ATOM 0 HD1 HIS A 64 6.488 2.601 0.339 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.906 0.764 3.226 1.00 0.00 H new ATOM 0 HE1 HIS A 64 8.823 3.561 0.036 1.00 0.00 H new ATOM 1017 N ARG A 65 7.239 0.094 -0.368 1.00 0.00 N ATOM 1018 CA ARG A 65 7.689 0.497 -1.695 1.00 0.00 C ATOM 1019 C ARG A 65 6.764 -0.059 -2.774 1.00 0.00 C ATOM 1020 O ARG A 65 6.160 0.695 -3.536 1.00 0.00 O ATOM 1021 CB ARG A 65 9.121 0.019 -1.939 1.00 0.00 C ATOM 1022 CG ARG A 65 10.102 0.460 -0.865 1.00 0.00 C ATOM 1023 CD ARG A 65 11.523 0.036 -1.201 1.00 0.00 C ATOM 1024 NE ARG A 65 12.516 0.879 -0.540 1.00 0.00 N ATOM 1025 CZ ARG A 65 13.790 0.943 -0.911 1.00 0.00 C ATOM 1026 NH1 ARG A 65 14.223 0.218 -1.934 1.00 0.00 N ATOM 1027 NH2 ARG A 65 14.633 1.733 -0.260 1.00 0.00 N ATOM 0 H ARG A 65 7.992 -0.134 0.281 1.00 0.00 H new ATOM 0 HA ARG A 65 7.664 1.586 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.126 -1.069 -1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.460 0.393 -2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.061 1.544 -0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.810 0.032 0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.672 -1.002 -0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.669 0.081 -2.280 1.00 0.00 H new ATOM 0 HE ARG A 65 12.215 1.450 0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.577 -0.390 -2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 65 15.202 0.269 -2.217 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.303 2.292 0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.611 1.781 -0.546 1.00 0.00 H new ATOM 1041 N MET A 66 6.660 -1.382 -2.832 1.00 0.00 N ATOM 1042 CA MET A 66 5.809 -2.039 -3.818 1.00 0.00 C ATOM 1043 C MET A 66 4.522 -1.250 -4.037 1.00 0.00 C ATOM 1044 O MET A 66 4.132 -0.985 -5.174 1.00 0.00 O ATOM 1045 CB MET A 66 5.478 -3.463 -3.369 1.00 0.00 C ATOM 1046 CG MET A 66 6.701 -4.352 -3.212 1.00 0.00 C ATOM 1047 SD MET A 66 6.275 -6.094 -3.032 1.00 0.00 S ATOM 1048 CE MET A 66 5.839 -6.158 -1.296 1.00 0.00 C ATOM 0 H MET A 66 7.154 -2.021 -2.208 1.00 0.00 H new ATOM 0 HA MET A 66 6.354 -2.081 -4.761 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.946 -3.421 -2.419 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.801 -3.915 -4.094 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.349 -4.228 -4.080 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.270 -4.029 -2.340 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.103 -6.945 -1.135 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.730 -6.368 -0.705 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.418 -5.200 -0.991 1.00 0.00 H new ATOM 1058 N ILE A 67 3.868 -0.878 -2.942 1.00 0.00 N ATOM 1059 CA ILE A 67 2.626 -0.118 -3.016 1.00 0.00 C ATOM 1060 C ILE A 67 2.818 1.174 -3.802 1.00 0.00 C ATOM 1061 O ILE A 67 2.143 1.409 -4.804 1.00 0.00 O ATOM 1062 CB ILE A 67 2.090 0.222 -1.612 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.883 -1.057 -0.798 1.00 0.00 C ATOM 1064 CG2 ILE A 67 0.790 1.006 -1.718 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.780 -1.942 -1.333 1.00 0.00 C ATOM 0 H ILE A 67 4.177 -1.090 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 67 1.900 -0.748 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 67 2.825 0.842 -1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.815 -1.622 -0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.654 -0.789 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.423 1.239 -0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.967 1.932 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.047 0.409 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.690 -2.830 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.162 -1.394 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.016 -2.241 -2.354 1.00 0.00 H new ATOM 1077 N TYR A 68 3.743 2.008 -3.341 1.00 0.00 N ATOM 1078 CA TYR A 68 4.024 3.278 -4.000 1.00 0.00 C ATOM 1079 C TYR A 68 4.317 3.069 -5.483 1.00 0.00 C ATOM 1080 O TYR A 68 3.661 3.653 -6.345 1.00 0.00 O ATOM 1081 CB TYR A 68 5.209 3.974 -3.328 1.00 0.00 C ATOM 1082 CG TYR A 68 4.819 4.816 -2.134 1.00 0.00 C ATOM 1083 CD1 TYR A 68 3.741 5.691 -2.198 1.00 0.00 C ATOM 1084 CD2 TYR A 68 5.528 4.736 -0.942 1.00 0.00 C ATOM 1085 CE1 TYR A 68 3.382 6.462 -1.110 1.00 0.00 C ATOM 1086 CE2 TYR A 68 5.174 5.502 0.152 1.00 0.00 C ATOM 1087 CZ TYR A 68 4.101 6.364 0.063 1.00 0.00 C ATOM 1088 OH TYR A 68 3.747 7.130 1.150 1.00 0.00 O ATOM 0 H TYR A 68 4.311 1.828 -2.513 1.00 0.00 H new ATOM 0 HA TYR A 68 3.140 3.909 -3.908 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.930 3.221 -3.011 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.711 4.607 -4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.174 5.769 -3.114 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.370 4.064 -0.869 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.543 7.138 -1.177 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.735 5.426 1.072 1.00 0.00 H new ATOM 0 HH TYR A 68 4.354 6.940 1.896 1.00 0.00 H new ATOM 1098 N SER A 69 5.307 2.231 -5.771 1.00 0.00 N ATOM 1099 CA SER A 69 5.691 1.946 -7.149 1.00 0.00 C ATOM 1100 C SER A 69 4.463 1.887 -8.053 1.00 0.00 C ATOM 1101 O SER A 69 4.482 2.384 -9.180 1.00 0.00 O ATOM 1102 CB SER A 69 6.457 0.624 -7.224 1.00 0.00 C ATOM 1103 OG SER A 69 6.649 0.221 -8.569 1.00 0.00 O ATOM 0 H SER A 69 5.858 1.737 -5.069 1.00 0.00 H new ATOM 0 HA SER A 69 6.338 2.752 -7.495 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.424 0.732 -6.732 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.909 -0.148 -6.684 1.00 0.00 H new ATOM 0 HG SER A 69 7.142 -0.626 -8.590 1.00 0.00 H new ATOM 1109 N THR A 70 3.395 1.274 -7.552 1.00 0.00 N ATOM 1110 CA THR A 70 2.159 1.148 -8.313 1.00 0.00 C ATOM 1111 C THR A 70 1.669 2.508 -8.795 1.00 0.00 C ATOM 1112 O THR A 70 1.492 2.726 -9.995 1.00 0.00 O ATOM 1113 CB THR A 70 1.049 0.482 -7.476 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.447 -0.840 -7.099 1.00 0.00 O ATOM 1115 CG2 THR A 70 -0.255 0.422 -8.257 1.00 0.00 C ATOM 0 H THR A 70 3.362 0.857 -6.622 1.00 0.00 H new ATOM 0 HA THR A 70 2.381 0.519 -9.175 1.00 0.00 H new ATOM 0 HB THR A 70 0.890 1.082 -6.580 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.775 -1.225 -6.498 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.023 -0.052 -7.646 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.570 1.433 -8.517 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.107 -0.158 -9.168 1.00 0.00 H new ATOM 1123 N LEU A 71 1.452 3.421 -7.855 1.00 0.00 N ATOM 1124 CA LEU A 71 0.983 4.762 -8.185 1.00 0.00 C ATOM 1125 C LEU A 71 1.904 5.823 -7.591 1.00 0.00 C ATOM 1126 O LEU A 71 1.444 6.807 -7.013 1.00 0.00 O ATOM 1127 CB LEU A 71 -0.444 4.966 -7.671 1.00 0.00 C ATOM 1128 CG LEU A 71 -0.803 4.232 -6.379 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -0.495 5.101 -5.169 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.269 3.825 -6.386 1.00 0.00 C ATOM 0 H LEU A 71 1.593 3.257 -6.858 1.00 0.00 H new ATOM 0 HA LEU A 71 0.991 4.865 -9.270 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.604 6.033 -7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.138 4.650 -8.450 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.196 3.329 -6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.757 4.563 -4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.568 5.342 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.075 6.022 -5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.506 3.304 -5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.893 4.714 -6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.459 3.165 -7.232 1.00 0.00 H new ATOM 1142 N ALA A 72 3.209 5.616 -7.741 1.00 0.00 N ATOM 1143 CA ALA A 72 4.195 6.557 -7.224 1.00 0.00 C ATOM 1144 C ALA A 72 4.140 7.881 -7.978 1.00 0.00 C ATOM 1145 O ALA A 72 4.389 8.942 -7.406 1.00 0.00 O ATOM 1146 CB ALA A 72 5.591 5.957 -7.308 1.00 0.00 C ATOM 0 H ALA A 72 3.607 4.806 -8.216 1.00 0.00 H new ATOM 0 HA ALA A 72 3.958 6.755 -6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.318 6.670 -6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.630 5.041 -6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.827 5.729 -8.347 1.00 0.00 H new ATOM 1152 N GLU A 73 3.813 7.810 -9.265 1.00 0.00 N ATOM 1153 CA GLU A 73 3.727 9.005 -10.097 1.00 0.00 C ATOM 1154 C GLU A 73 2.332 9.620 -10.023 1.00 0.00 C ATOM 1155 O GLU A 73 2.185 10.826 -9.829 1.00 0.00 O ATOM 1156 CB GLU A 73 4.071 8.668 -11.549 1.00 0.00 C ATOM 1157 CG GLU A 73 4.007 9.864 -12.483 1.00 0.00 C ATOM 1158 CD GLU A 73 3.925 9.461 -13.943 1.00 0.00 C ATOM 1159 OE1 GLU A 73 2.870 8.938 -14.356 1.00 0.00 O ATOM 1160 OE2 GLU A 73 4.918 9.670 -14.671 1.00 0.00 O ATOM 0 H GLU A 73 3.604 6.939 -9.753 1.00 0.00 H new ATOM 0 HA GLU A 73 4.446 9.732 -9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.073 8.242 -11.586 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.385 7.901 -11.907 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.139 10.473 -12.229 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.889 10.487 -12.331 1.00 0.00 H new ATOM 1167 N GLU A 74 1.312 8.782 -10.179 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.070 9.243 -10.131 1.00 0.00 C ATOM 1169 C GLU A 74 -0.339 10.022 -8.847 1.00 0.00 C ATOM 1170 O GLU A 74 -0.917 11.110 -8.876 1.00 0.00 O ATOM 1171 CB GLU A 74 -1.031 8.057 -10.232 1.00 0.00 C ATOM 1172 CG GLU A 74 -0.786 7.177 -11.446 1.00 0.00 C ATOM 1173 CD GLU A 74 -1.738 5.999 -11.515 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.964 6.220 -11.419 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -1.258 4.856 -11.664 1.00 0.00 O ATOM 0 H GLU A 74 1.417 7.780 -10.340 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.234 9.907 -10.980 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.943 7.451 -9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.054 8.431 -10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.889 7.776 -12.351 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.240 6.809 -11.422 1.00 0.00 H new ATOM 1182 N LEU A 75 0.083 9.458 -7.720 1.00 0.00 N ATOM 1183 CA LEU A 75 -0.113 10.098 -6.424 1.00 0.00 C ATOM 1184 C LEU A 75 0.617 11.436 -6.362 1.00 0.00 C ATOM 1185 O LEU A 75 0.369 12.250 -5.472 1.00 0.00 O ATOM 1186 CB LEU A 75 0.379 9.183 -5.302 1.00 0.00 C ATOM 1187 CG LEU A 75 1.887 8.934 -5.252 1.00 0.00 C ATOM 1188 CD1 LEU A 75 2.616 10.170 -4.747 1.00 0.00 C ATOM 1189 CD2 LEU A 75 2.200 7.732 -4.372 1.00 0.00 C ATOM 0 H LEU A 75 0.563 8.559 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.180 10.281 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.070 9.612 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.125 8.221 -5.397 1.00 0.00 H new ATOM 0 HG LEU A 75 2.234 8.720 -6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.688 9.974 -4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.418 11.008 -5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.265 10.415 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.278 7.569 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.838 7.917 -3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.709 6.847 -4.776 1.00 0.00 H new ATOM 1201 N SER A 76 1.517 11.658 -7.314 1.00 0.00 N ATOM 1202 CA SER A 76 2.285 12.897 -7.367 1.00 0.00 C ATOM 1203 C SER A 76 1.621 13.908 -8.297 1.00 0.00 C ATOM 1204 O SER A 76 2.239 14.891 -8.708 1.00 0.00 O ATOM 1205 CB SER A 76 3.714 12.617 -7.836 1.00 0.00 C ATOM 1206 OG SER A 76 4.538 12.222 -6.753 1.00 0.00 O ATOM 0 H SER A 76 1.733 10.996 -8.060 1.00 0.00 H new ATOM 0 HA SER A 76 2.317 13.319 -6.363 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.704 11.834 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.128 13.510 -8.305 1.00 0.00 H new ATOM 0 HG SER A 76 5.445 12.047 -7.079 1.00 0.00 H new ATOM 1212 N THR A 77 0.358 13.659 -8.627 1.00 0.00 N ATOM 1213 CA THR A 77 -0.391 14.545 -9.510 1.00 0.00 C ATOM 1214 C THR A 77 -1.258 15.511 -8.711 1.00 0.00 C ATOM 1215 O THR A 77 -1.137 16.729 -8.848 1.00 0.00 O ATOM 1216 CB THR A 77 -1.286 13.749 -10.478 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.484 12.877 -11.281 1.00 0.00 O ATOM 1218 CG2 THR A 77 -2.080 14.686 -11.375 1.00 0.00 C ATOM 0 H THR A 77 -0.168 12.850 -8.296 1.00 0.00 H new ATOM 0 HA THR A 77 0.341 15.110 -10.087 1.00 0.00 H new ATOM 0 HB THR A 77 -1.986 13.157 -9.888 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.291 12.057 -10.780 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.705 14.101 -12.050 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.711 15.329 -10.762 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.394 15.301 -11.957 1.00 0.00 H new ATOM 1226 N THR A 78 -2.134 14.961 -7.876 1.00 0.00 N ATOM 1227 CA THR A 78 -3.023 15.775 -7.055 1.00 0.00 C ATOM 1228 C THR A 78 -2.691 15.628 -5.575 1.00 0.00 C ATOM 1229 O THR A 78 -2.738 16.599 -4.819 1.00 0.00 O ATOM 1230 CB THR A 78 -4.499 15.395 -7.280 1.00 0.00 C ATOM 1231 OG1 THR A 78 -4.982 15.999 -8.485 1.00 0.00 O ATOM 1232 CG2 THR A 78 -5.356 15.839 -6.104 1.00 0.00 C ATOM 0 H THR A 78 -2.247 13.955 -7.750 1.00 0.00 H new ATOM 0 HA THR A 78 -2.873 16.812 -7.357 1.00 0.00 H new ATOM 0 HB THR A 78 -4.564 14.310 -7.367 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.920 15.751 -8.622 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.394 15.560 -6.285 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.003 15.355 -5.193 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.285 16.921 -5.990 1.00 0.00 H new ATOM 1240 N VAL A 79 -2.357 14.409 -5.166 1.00 0.00 N ATOM 1241 CA VAL A 79 -2.015 14.136 -3.775 1.00 0.00 C ATOM 1242 C VAL A 79 -0.552 14.457 -3.495 1.00 0.00 C ATOM 1243 O VAL A 79 0.283 14.438 -4.399 1.00 0.00 O ATOM 1244 CB VAL A 79 -2.286 12.664 -3.409 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.842 12.378 -1.982 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -3.759 12.332 -3.595 1.00 0.00 C ATOM 0 H VAL A 79 -2.316 13.594 -5.778 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.648 14.778 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.706 12.028 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.041 11.334 -1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.774 12.575 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.392 13.020 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.933 11.289 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.361 12.974 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.040 12.496 -4.635 1.00 0.00 H new ATOM 1256 N HIS A 80 -0.247 14.751 -2.235 1.00 0.00 N ATOM 1257 CA HIS A 80 1.118 15.075 -1.834 1.00 0.00 C ATOM 1258 C HIS A 80 1.637 14.070 -0.811 1.00 0.00 C ATOM 1259 O HIS A 80 2.704 13.483 -0.989 1.00 0.00 O ATOM 1260 CB HIS A 80 1.180 16.489 -1.255 1.00 0.00 C ATOM 1261 CG HIS A 80 0.194 16.728 -0.153 1.00 0.00 C ATOM 1262 ND1 HIS A 80 -1.169 16.780 -0.360 1.00 0.00 N ATOM 1263 CD2 HIS A 80 0.379 16.927 1.173 1.00 0.00 C ATOM 1264 CE1 HIS A 80 -1.779 17.003 0.790 1.00 0.00 C ATOM 1265 NE2 HIS A 80 -0.862 17.096 1.737 1.00 0.00 N ATOM 0 H HIS A 80 -0.926 14.772 -1.474 1.00 0.00 H new ATOM 0 HA HIS A 80 1.752 15.025 -2.719 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.186 16.675 -0.878 1.00 0.00 H new ATOM 0 HB3 HIS A 80 1.001 17.208 -2.054 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -1.633 16.664 -1.261 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.326 16.949 1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.846 17.094 0.932 1.00 0.00 H new ATOM 1274 N ALA A 81 0.876 13.877 0.262 1.00 0.00 N ATOM 1275 CA ALA A 81 1.259 12.943 1.312 1.00 0.00 C ATOM 1276 C ALA A 81 0.205 11.856 1.491 1.00 0.00 C ATOM 1277 O ALA A 81 -0.950 12.026 1.098 1.00 0.00 O ATOM 1278 CB ALA A 81 1.483 13.684 2.622 1.00 0.00 C ATOM 0 H ALA A 81 -0.010 14.356 0.426 1.00 0.00 H new ATOM 0 HA ALA A 81 2.191 12.463 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.769 12.973 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.277 14.419 2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.564 14.191 2.915 1.00 0.00 H new ATOM 1284 N LEU A 82 0.609 10.738 2.085 1.00 0.00 N ATOM 1285 CA LEU A 82 -0.301 9.622 2.315 1.00 0.00 C ATOM 1286 C LEU A 82 0.249 8.681 3.382 1.00 0.00 C ATOM 1287 O LEU A 82 1.450 8.666 3.650 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.536 8.853 1.014 1.00 0.00 C ATOM 1289 CG LEU A 82 -1.278 7.522 1.145 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.681 7.744 1.687 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -1.329 6.806 -0.197 1.00 0.00 C ATOM 0 H LEU A 82 1.561 10.581 2.416 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.250 10.027 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.097 9.493 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.431 8.663 0.548 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.735 6.893 1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.194 6.786 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.622 8.214 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.235 8.392 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.860 5.861 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.849 7.431 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.314 6.613 -0.545 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.637 7.897 3.986 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.239 6.950 5.021 1.00 0.00 C ATOM 1305 C ALA A 83 -0.682 5.534 4.669 1.00 0.00 C ATOM 1306 O ALA A 83 -1.826 5.150 4.918 1.00 0.00 O ATOM 1307 CB ALA A 83 -0.814 7.366 6.367 1.00 0.00 C ATOM 0 H ALA A 83 -1.635 7.898 3.777 1.00 0.00 H new ATOM 0 HA ALA A 83 0.849 6.957 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.509 6.650 7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.444 8.357 6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.902 7.390 6.306 1.00 0.00 H new ATOM 1313 N LEU A 84 0.229 4.761 4.089 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.069 3.386 3.702 1.00 0.00 C ATOM 1315 C LEU A 84 -0.113 2.474 4.923 1.00 0.00 C ATOM 1316 O LEU A 84 0.826 2.439 5.719 1.00 0.00 O ATOM 1317 CB LEU A 84 0.978 2.877 2.709 1.00 0.00 C ATOM 1318 CG LEU A 84 1.103 3.664 1.404 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.226 3.102 0.546 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.214 3.645 0.641 1.00 0.00 C ATOM 0 H LEU A 84 1.180 5.062 3.876 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.050 3.373 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.949 2.876 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.744 1.841 2.464 1.00 0.00 H new ATOM 0 HG LEU A 84 1.344 4.699 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.299 3.675 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.168 3.169 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.017 2.059 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.106 4.210 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.485 2.615 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.995 4.096 1.253 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.209 1.735 5.065 1.00 0.00 N ATOM 1333 CA HIS A 85 -1.374 0.820 6.188 1.00 0.00 C ATOM 1334 C HIS A 85 -1.595 -0.608 5.698 1.00 0.00 C ATOM 1335 O HIS A 85 -2.730 -1.081 5.620 1.00 0.00 O ATOM 1336 CB HIS A 85 -2.549 1.259 7.063 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.177 2.275 8.099 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.361 1.990 9.173 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -2.514 3.580 8.220 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.213 3.075 9.911 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -1.903 4.055 9.354 1.00 0.00 N ATOM 0 H HIS A 85 -1.996 1.752 4.416 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.460 0.844 6.781 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.332 1.671 6.426 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.969 0.384 7.559 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.146 4.143 7.549 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -0.628 3.149 10.816 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -1.971 5.009 9.709 1.00 0.00 H new ATOM 1350 N THR A 86 -0.504 -1.291 5.367 1.00 0.00 N ATOM 1351 CA THR A 86 -0.579 -2.663 4.882 1.00 0.00 C ATOM 1352 C THR A 86 -0.580 -3.656 6.039 1.00 0.00 C ATOM 1353 O THR A 86 0.408 -3.781 6.763 1.00 0.00 O ATOM 1354 CB THR A 86 0.595 -2.991 3.941 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.839 -2.696 4.586 1.00 0.00 O ATOM 1356 CG2 THR A 86 0.489 -2.199 2.647 1.00 0.00 C ATOM 0 H THR A 86 0.443 -0.916 5.426 1.00 0.00 H new ATOM 0 HA THR A 86 -1.514 -2.752 4.329 1.00 0.00 H new ATOM 0 HB THR A 86 0.554 -4.054 3.703 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.787 -2.954 5.530 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.329 -2.447 1.998 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.445 -2.449 2.143 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.506 -1.132 2.871 1.00 0.00 H new ATOM 1364 N TYR A 87 -1.694 -4.359 6.208 1.00 0.00 N ATOM 1365 CA TYR A 87 -1.824 -5.340 7.279 1.00 0.00 C ATOM 1366 C TYR A 87 -1.980 -6.748 6.712 1.00 0.00 C ATOM 1367 O TYR A 87 -2.334 -6.926 5.546 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.021 -5.000 8.168 1.00 0.00 C ATOM 1369 CG TYR A 87 -2.750 -3.877 9.144 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -2.206 -2.673 8.715 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.038 -4.021 10.496 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -1.957 -1.645 9.603 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -2.793 -2.998 11.391 1.00 0.00 C ATOM 1374 CZ TYR A 87 -2.252 -1.812 10.940 1.00 0.00 C ATOM 1375 OH TYR A 87 -2.006 -0.790 11.828 1.00 0.00 O ATOM 0 H TYR A 87 -2.520 -4.268 5.617 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.914 -5.308 7.879 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.866 -4.725 7.536 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.315 -5.890 8.724 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.974 -2.538 7.669 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.461 -4.949 10.853 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.534 -0.715 9.252 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.024 -3.126 12.438 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.271 -1.069 12.729 1.00 0.00 H new ATOM 1385 N THR A 88 -1.715 -7.748 7.547 1.00 0.00 N ATOM 1386 CA THR A 88 -1.825 -9.140 7.132 1.00 0.00 C ATOM 1387 C THR A 88 -3.182 -9.722 7.513 1.00 0.00 C ATOM 1388 O THR A 88 -3.682 -9.486 8.613 1.00 0.00 O ATOM 1389 CB THR A 88 -0.715 -10.004 7.760 1.00 0.00 C ATOM 1390 OG1 THR A 88 -0.580 -9.692 9.151 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.613 -9.776 7.052 1.00 0.00 C ATOM 0 H THR A 88 -1.422 -7.619 8.516 1.00 0.00 H new ATOM 0 HA THR A 88 -1.717 -9.155 6.047 1.00 0.00 H new ATOM 0 HB THR A 88 -0.993 -11.052 7.649 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.126 -10.246 9.544 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.382 -10.396 7.512 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.514 -10.042 5.999 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.895 -8.726 7.136 1.00 0.00 H new ATOM 1399 N ILE A 89 -3.772 -10.483 6.597 1.00 0.00 N ATOM 1400 CA ILE A 89 -5.070 -11.100 6.839 1.00 0.00 C ATOM 1401 C ILE A 89 -5.230 -11.489 8.305 1.00 0.00 C ATOM 1402 O ILE A 89 -6.296 -11.312 8.894 1.00 0.00 O ATOM 1403 CB ILE A 89 -5.272 -12.351 5.963 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -5.193 -11.980 4.481 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.606 -13.010 6.280 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -3.790 -12.033 3.919 1.00 0.00 C ATOM 0 H ILE A 89 -3.372 -10.687 5.681 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.825 -10.358 6.578 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.477 -13.063 6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.830 -12.656 3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -5.593 -10.975 4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.734 -13.892 5.653 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.626 -13.304 7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.415 -12.306 6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.810 -11.758 2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.153 -11.336 4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.394 -13.043 4.023 1.00 0.00 H new ATOM 1418 N LYS A 90 -4.161 -12.019 8.891 1.00 0.00 N ATOM 1419 CA LYS A 90 -4.180 -12.431 10.289 1.00 0.00 C ATOM 1420 C LYS A 90 -4.426 -11.236 11.205 1.00 0.00 C ATOM 1421 O LYS A 90 -5.407 -11.204 11.947 1.00 0.00 O ATOM 1422 CB LYS A 90 -2.858 -13.107 10.660 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.695 -14.493 10.062 1.00 0.00 C ATOM 1424 CD LYS A 90 -2.196 -14.426 8.628 1.00 0.00 C ATOM 1425 CE LYS A 90 -1.524 -15.725 8.210 1.00 0.00 C ATOM 1426 NZ LYS A 90 -2.515 -16.744 7.766 1.00 0.00 N ATOM 0 H LYS A 90 -3.270 -12.173 8.418 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.995 -13.142 10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.032 -12.478 10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.788 -13.178 11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.995 -15.071 10.665 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.650 -15.018 10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.032 -14.216 7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.491 -13.601 8.525 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.820 -15.526 7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.946 -16.120 9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.018 -17.615 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.171 -16.953 8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.049 -16.377 6.953 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.530 -10.256 11.146 1.00 0.00 N ATOM 1441 CA GLU A 91 -3.653 -9.059 11.970 1.00 0.00 C ATOM 1442 C GLU A 91 -5.065 -8.486 11.891 1.00 0.00 C ATOM 1443 O GLU A 91 -5.650 -8.109 12.906 1.00 0.00 O ATOM 1444 CB GLU A 91 -2.636 -8.003 11.530 1.00 0.00 C ATOM 1445 CG GLU A 91 -1.236 -8.244 12.068 1.00 0.00 C ATOM 1446 CD GLU A 91 -1.019 -7.616 13.431 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -1.480 -6.474 13.639 1.00 0.00 O ATOM 1448 OE2 GLU A 91 -0.389 -8.267 14.290 1.00 0.00 O ATOM 0 H GLU A 91 -2.712 -10.267 10.537 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.451 -9.339 13.004 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.598 -7.979 10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.978 -7.022 11.859 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.056 -9.317 12.134 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.506 -7.840 11.366 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.604 -8.423 10.679 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.947 -7.896 10.466 1.00 0.00 C ATOM 1457 C TRP A 92 -7.997 -8.818 11.077 1.00 0.00 C ATOM 1458 O TRP A 92 -8.878 -8.369 11.809 1.00 0.00 O ATOM 1459 CB TRP A 92 -7.216 -7.715 8.971 1.00 0.00 C ATOM 1460 CG TRP A 92 -8.167 -6.597 8.670 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.272 -6.655 7.869 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -8.096 -5.255 9.163 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -9.892 -5.429 7.835 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -9.191 -4.554 8.621 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -7.215 -4.578 10.011 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -9.425 -3.210 8.899 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -7.449 -3.244 10.286 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -8.547 -2.572 9.733 1.00 0.00 C ATOM 0 H TRP A 92 -5.132 -8.730 9.829 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.012 -6.926 10.959 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.272 -7.527 8.459 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.618 -8.644 8.566 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.609 -7.535 7.340 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -10.737 -5.207 7.309 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.367 -5.088 10.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -10.269 -2.689 8.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.774 -2.710 10.938 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -8.704 -1.530 9.969 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.896 -10.107 10.770 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.839 -11.091 11.289 1.00 0.00 C ATOM 1481 C GLU A 93 -9.247 -10.751 12.720 1.00 0.00 C ATOM 1482 O GLU A 93 -10.387 -10.979 13.123 1.00 0.00 O ATOM 1483 CB GLU A 93 -8.226 -12.492 11.241 1.00 0.00 C ATOM 1484 CG GLU A 93 -8.508 -13.235 9.946 1.00 0.00 C ATOM 1485 CD GLU A 93 -9.833 -13.971 9.972 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -10.863 -13.330 10.266 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -9.840 -15.190 9.698 1.00 0.00 O ATOM 0 H GLU A 93 -7.172 -10.494 10.165 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.729 -11.070 10.661 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.147 -12.412 11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.610 -13.077 12.077 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.506 -12.527 9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.705 -13.947 9.758 1.00 0.00 H new ATOM 1494 N GLY A 94 -8.305 -10.205 13.484 1.00 0.00 N ATOM 1495 CA GLY A 94 -8.585 -9.844 14.861 1.00 0.00 C ATOM 1496 C GLY A 94 -7.523 -8.937 15.450 1.00 0.00 C ATOM 1497 O GLY A 94 -6.862 -9.294 16.427 1.00 0.00 O ATOM 0 H GLY A 94 -7.354 -10.007 13.174 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.553 -9.346 14.913 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.659 -10.750 15.463 1.00 0.00 H new ATOM 1501 N LEU A 95 -7.355 -7.761 14.855 1.00 0.00 N ATOM 1502 CA LEU A 95 -6.363 -6.800 15.325 1.00 0.00 C ATOM 1503 C LEU A 95 -6.695 -6.321 16.735 1.00 0.00 C ATOM 1504 O LEU A 95 -5.824 -6.267 17.603 1.00 0.00 O ATOM 1505 CB LEU A 95 -6.288 -5.606 14.372 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.531 -4.382 14.888 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -4.030 -4.588 14.754 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -5.968 -3.131 14.141 1.00 0.00 C ATOM 0 H LEU A 95 -7.893 -7.450 14.046 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.394 -7.298 15.349 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.818 -5.935 13.445 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.304 -5.301 14.123 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.767 -4.251 15.944 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.507 -3.707 15.126 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.729 -5.460 15.334 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.776 -4.745 13.706 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.419 -2.270 14.521 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.762 -3.252 13.077 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.037 -2.974 14.288 1.00 0.00 H new ATOM 1520 N GLN A 96 -7.959 -5.976 16.954 1.00 0.00 N ATOM 1521 CA GLN A 96 -8.406 -5.503 18.259 1.00 0.00 C ATOM 1522 C GLN A 96 -8.042 -6.501 19.354 1.00 0.00 C ATOM 1523 O GLN A 96 -7.504 -6.125 20.395 1.00 0.00 O ATOM 1524 CB GLN A 96 -9.917 -5.267 18.250 1.00 0.00 C ATOM 1525 CG GLN A 96 -10.378 -4.235 19.267 1.00 0.00 C ATOM 1526 CD GLN A 96 -11.880 -4.248 19.471 1.00 0.00 C ATOM 1527 OE1 GLN A 96 -12.616 -4.882 18.714 1.00 0.00 O ATOM 1528 NE2 GLN A 96 -12.344 -3.547 20.499 1.00 0.00 N ATOM 0 H GLN A 96 -8.692 -6.015 16.245 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.900 -4.561 18.468 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.220 -4.944 17.254 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.425 -6.211 18.447 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.884 -4.424 20.220 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.068 -3.243 18.938 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.698 -3.036 21.101 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -13.346 -3.519 20.687 1.00 0.00 H new ATOM 1537 N ASP A 97 -8.341 -7.772 19.111 1.00 0.00 N ATOM 1538 CA ASP A 97 -8.044 -8.825 20.076 1.00 0.00 C ATOM 1539 C ASP A 97 -7.577 -10.094 19.370 1.00 0.00 C ATOM 1540 O ASP A 97 -8.012 -10.395 18.258 1.00 0.00 O ATOM 1541 CB ASP A 97 -9.278 -9.126 20.930 1.00 0.00 C ATOM 1542 CG ASP A 97 -8.939 -9.916 22.178 1.00 0.00 C ATOM 1543 OD1 ASP A 97 -8.430 -9.309 23.144 1.00 0.00 O ATOM 1544 OD2 ASP A 97 -9.184 -11.140 22.190 1.00 0.00 O ATOM 0 H ASP A 97 -8.789 -8.099 18.255 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.240 -8.474 20.723 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -9.756 -8.189 21.215 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.001 -9.684 20.335 1.00 0.00 H new ATOM 1549 N THR A 98 -6.687 -10.834 20.023 1.00 0.00 N ATOM 1550 CA THR A 98 -6.158 -12.069 19.458 1.00 0.00 C ATOM 1551 C THR A 98 -6.204 -13.204 20.475 1.00 0.00 C ATOM 1552 O THR A 98 -5.616 -13.109 21.552 1.00 0.00 O ATOM 1553 CB THR A 98 -4.708 -11.889 18.971 1.00 0.00 C ATOM 1554 OG1 THR A 98 -3.895 -11.378 20.034 1.00 0.00 O ATOM 1555 CG2 THR A 98 -4.649 -10.943 17.782 1.00 0.00 C ATOM 0 H THR A 98 -6.317 -10.599 20.944 1.00 0.00 H new ATOM 0 HA THR A 98 -6.790 -12.322 18.607 1.00 0.00 H new ATOM 0 HB THR A 98 -4.330 -12.862 18.659 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.097 -11.862 20.862 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.615 -10.832 17.456 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.245 -11.348 16.965 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.045 -9.969 18.072 1.00 0.00 H new ATOM 1563 N VAL A 99 -6.906 -14.277 20.126 1.00 0.00 N ATOM 1564 CA VAL A 99 -7.026 -15.432 21.009 1.00 0.00 C ATOM 1565 C VAL A 99 -5.750 -16.265 21.001 1.00 0.00 C ATOM 1566 O VAL A 99 -5.032 -16.311 20.002 1.00 0.00 O ATOM 1567 CB VAL A 99 -8.213 -16.326 20.603 1.00 0.00 C ATOM 1568 CG1 VAL A 99 -7.967 -16.956 19.241 1.00 0.00 C ATOM 1569 CG2 VAL A 99 -8.458 -17.395 21.657 1.00 0.00 C ATOM 0 H VAL A 99 -7.400 -14.371 19.239 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.197 -15.047 22.014 1.00 0.00 H new ATOM 0 HB VAL A 99 -9.106 -15.705 20.533 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.816 -17.584 18.972 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.844 -16.172 18.494 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.064 -17.565 19.280 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.300 -18.018 21.355 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.567 -18.014 21.761 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.683 -16.920 22.612 1.00 0.00 H new ATOM 1579 N PHE A 100 -5.473 -16.924 22.121 1.00 0.00 N ATOM 1580 CA PHE A 100 -4.282 -17.756 22.244 1.00 0.00 C ATOM 1581 C PHE A 100 -4.087 -18.614 20.998 1.00 0.00 C ATOM 1582 O PHE A 100 -5.049 -18.965 20.316 1.00 0.00 O ATOM 1583 CB PHE A 100 -4.385 -18.651 23.482 1.00 0.00 C ATOM 1584 CG PHE A 100 -3.051 -19.065 24.034 1.00 0.00 C ATOM 1585 CD1 PHE A 100 -2.153 -18.117 24.496 1.00 0.00 C ATOM 1586 CD2 PHE A 100 -2.696 -20.403 24.091 1.00 0.00 C ATOM 1587 CE1 PHE A 100 -0.925 -18.496 25.006 1.00 0.00 C ATOM 1588 CE2 PHE A 100 -1.470 -20.788 24.600 1.00 0.00 C ATOM 1589 CZ PHE A 100 -0.583 -19.833 25.056 1.00 0.00 C ATOM 0 H PHE A 100 -6.057 -16.898 22.957 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.419 -17.098 22.350 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.942 -18.124 24.256 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -4.958 -19.543 23.229 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.415 -17.070 24.457 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.385 -21.154 23.734 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -0.234 -17.747 25.365 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.206 -21.834 24.641 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.377 -20.131 25.451 1.00 0.00 H new ATOM 1599 N ALA A 101 -2.834 -18.947 20.706 1.00 0.00 N ATOM 1600 CA ALA A 101 -2.511 -19.764 19.543 1.00 0.00 C ATOM 1601 C ALA A 101 -3.316 -21.059 19.542 1.00 0.00 C ATOM 1602 O ALA A 101 -3.840 -21.475 18.509 1.00 0.00 O ATOM 1603 CB ALA A 101 -1.020 -20.066 19.507 1.00 0.00 C ATOM 0 H ALA A 101 -2.026 -18.663 21.259 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.777 -19.201 18.649 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.793 -20.677 18.633 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.461 -19.132 19.452 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.736 -20.606 20.410 1.00 0.00 H new ATOM 1609 N SER A 102 -3.409 -21.693 20.706 1.00 0.00 N ATOM 1610 CA SER A 102 -4.147 -22.944 20.838 1.00 0.00 C ATOM 1611 C SER A 102 -4.416 -23.264 22.306 1.00 0.00 C ATOM 1612 O SER A 102 -3.514 -23.265 23.143 1.00 0.00 O ATOM 1613 CB SER A 102 -3.368 -24.091 20.190 1.00 0.00 C ATOM 1614 OG SER A 102 -2.055 -24.176 20.715 1.00 0.00 O ATOM 0 H SER A 102 -2.983 -21.361 21.571 1.00 0.00 H new ATOM 0 HA SER A 102 -5.103 -22.828 20.327 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.892 -25.032 20.359 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.323 -23.940 19.111 1.00 0.00 H new ATOM 0 HG SER A 102 -2.039 -23.797 21.619 1.00 0.00 H new ATOM 1620 N PRO A 103 -5.689 -23.542 22.626 1.00 0.00 N ATOM 1621 CA PRO A 103 -6.108 -23.868 23.992 1.00 0.00 C ATOM 1622 C PRO A 103 -5.594 -25.230 24.446 1.00 0.00 C ATOM 1623 O PRO A 103 -5.421 -26.153 23.649 1.00 0.00 O ATOM 1624 CB PRO A 103 -7.636 -23.877 23.901 1.00 0.00 C ATOM 1625 CG PRO A 103 -7.929 -24.183 22.473 1.00 0.00 C ATOM 1626 CD PRO A 103 -6.816 -23.559 21.679 1.00 0.00 C ATOM 0 HA PRO A 103 -5.714 -23.158 24.720 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.068 -24.628 24.563 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.056 -22.915 24.194 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.972 -25.259 22.305 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -8.896 -23.775 22.177 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.583 -24.141 20.788 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.075 -22.554 21.345 1.00 0.00 H new ATOM 1634 N PRO A 104 -5.343 -25.362 25.757 1.00 0.00 N ATOM 1635 CA PRO A 104 -4.846 -26.608 26.347 1.00 0.00 C ATOM 1636 C PRO A 104 -5.896 -27.714 26.337 1.00 0.00 C ATOM 1637 O PRO A 104 -6.846 -27.688 27.121 1.00 0.00 O ATOM 1638 CB PRO A 104 -4.504 -26.209 27.784 1.00 0.00 C ATOM 1639 CG PRO A 104 -5.377 -25.036 28.070 1.00 0.00 C ATOM 1640 CD PRO A 104 -5.526 -24.304 26.765 1.00 0.00 C ATOM 0 HA PRO A 104 -4.001 -27.013 25.790 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.699 -27.026 28.479 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.450 -25.951 27.883 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.347 -25.355 28.452 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.931 -24.394 28.829 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.505 -23.832 26.679 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.781 -23.515 26.659 1.00 0.00 H new ATOM 1648 N CYS A 105 -5.720 -28.683 25.446 1.00 0.00 N ATOM 1649 CA CYS A 105 -6.653 -29.798 25.334 1.00 0.00 C ATOM 1650 C CYS A 105 -6.089 -31.048 26.002 1.00 0.00 C ATOM 1651 O CYS A 105 -4.931 -31.073 26.417 1.00 0.00 O ATOM 1652 CB CYS A 105 -6.963 -30.086 23.865 1.00 0.00 C ATOM 1653 SG CYS A 105 -8.564 -30.879 23.589 1.00 0.00 S ATOM 0 H CYS A 105 -4.939 -28.719 24.790 1.00 0.00 H new ATOM 0 HA CYS A 105 -7.575 -29.520 25.844 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -6.933 -29.149 23.308 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -6.179 -30.724 23.458 1.00 0.00 H new ATOM 0 HG CYS A 105 -8.735 -31.079 22.316 1.00 0.00 H new ATOM 1659 N ARG A 106 -6.917 -32.083 26.103 1.00 0.00 N ATOM 1660 CA ARG A 106 -6.502 -33.336 26.723 1.00 0.00 C ATOM 1661 C ARG A 106 -6.698 -34.508 25.765 1.00 0.00 C ATOM 1662 O ARG A 106 -7.607 -34.500 24.937 1.00 0.00 O ATOM 1663 CB ARG A 106 -7.291 -33.578 28.011 1.00 0.00 C ATOM 1664 CG ARG A 106 -6.510 -34.341 29.069 1.00 0.00 C ATOM 1665 CD ARG A 106 -6.713 -35.842 28.937 1.00 0.00 C ATOM 1666 NE ARG A 106 -8.035 -36.258 29.397 1.00 0.00 N ATOM 1667 CZ ARG A 106 -9.076 -36.427 28.589 1.00 0.00 C ATOM 1668 NH1 ARG A 106 -8.948 -36.216 27.286 1.00 0.00 N ATOM 1669 NH2 ARG A 106 -10.247 -36.807 29.083 1.00 0.00 N ATOM 0 H ARG A 106 -7.879 -32.079 25.764 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.442 -33.260 26.964 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.602 -32.618 28.423 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.199 -34.131 27.772 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.449 -34.107 28.979 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.825 -34.016 30.060 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -6.583 -36.135 27.895 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -5.948 -36.363 29.513 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.167 -36.428 30.394 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.049 -35.923 26.903 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.748 -36.346 26.667 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.349 -36.970 30.085 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.045 -36.936 28.461 1.00 0.00 H new ATOM 1683 N GLY A 107 -5.837 -35.514 25.885 1.00 0.00 N ATOM 1684 CA GLY A 107 -5.933 -36.678 25.024 1.00 0.00 C ATOM 1685 C GLY A 107 -4.842 -37.694 25.299 1.00 0.00 C ATOM 1686 O GLY A 107 -4.899 -38.823 24.813 1.00 0.00 O ATOM 0 H GLY A 107 -5.075 -35.544 26.563 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.907 -37.149 25.162 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.876 -36.361 23.983 1.00 0.00 H new TER 1690 GLY A 107