USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 656 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 81 THR OG1 : rot 160:sc= -2.43! USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= -0.456 (180deg=-2.09!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 160:sc= 0.352 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -61:sc= 0.366 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.0231 X(o=-0.023,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0828 X(o=-0.083,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.25) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.161 K(o=-0.16,f=-0.72) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 100:sc= 0 USER MOD Single : A 88 CYS SG : rot 180:sc= -0.0796 USER MOD Single : A 89 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.34) USER MOD Single : A 93 THR OG1 : rot 90:sc= 0.0491 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 28:sc= 0.0926 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.127 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.489 -0.308 -1.431 1.00 32.11 N ATOM 2 CA MET A 1 1.212 -0.245 -2.696 1.00 13.02 C ATOM 3 C MET A 1 0.287 0.185 -3.830 1.00 35.02 C ATOM 4 O MET A 1 -0.035 -0.592 -4.729 1.00 33.10 O ATOM 5 CB MET A 1 1.837 -1.603 -3.019 1.00 73.51 C ATOM 6 CG MET A 1 0.863 -2.764 -2.900 1.00 34.35 C ATOM 7 SD MET A 1 1.583 -4.332 -3.423 1.00 21.22 S ATOM 8 CE MET A 1 0.705 -5.479 -2.363 1.00 4.41 C ATOM 0 H1 MET A 1 0.839 -1.111 -0.871 1.00 32.11 H new ATOM 0 H2 MET A 1 0.638 0.575 -0.902 1.00 32.11 H new ATOM 0 H3 MET A 1 -0.527 -0.432 -1.617 1.00 32.11 H new ATOM 0 HA MET A 1 2.004 0.497 -2.596 1.00 13.02 H new ATOM 0 HB2 MET A 1 2.237 -1.578 -4.033 1.00 73.51 H new ATOM 0 HB3 MET A 1 2.679 -1.775 -2.348 1.00 73.51 H new ATOM 0 HG2 MET A 1 0.530 -2.849 -1.866 1.00 34.35 H new ATOM 0 HG3 MET A 1 -0.020 -2.555 -3.503 1.00 34.35 H new ATOM 0 HE1 MET A 1 1.042 -6.495 -2.569 1.00 4.41 H new ATOM 0 HE2 MET A 1 0.904 -5.235 -1.319 1.00 4.41 H new ATOM 0 HE3 MET A 1 -0.365 -5.406 -2.555 1.00 4.41 H new ATOM 18 N PRO A 2 -0.153 1.452 -3.789 1.00 23.34 N ATOM 19 CA PRO A 2 -1.047 2.013 -4.806 1.00 21.14 C ATOM 20 C PRO A 2 -0.353 2.194 -6.151 1.00 71.14 C ATOM 21 O PRO A 2 0.756 1.700 -6.361 1.00 54.03 O ATOM 22 CB PRO A 2 -1.441 3.371 -4.220 1.00 53.34 C ATOM 23 CG PRO A 2 -0.319 3.732 -3.309 1.00 61.45 C ATOM 24 CD PRO A 2 0.190 2.434 -2.746 1.00 64.34 C ATOM 0 HA PRO A 2 -1.895 1.359 -5.010 1.00 21.14 H new ATOM 0 HB2 PRO A 2 -1.570 4.118 -5.004 1.00 53.34 H new ATOM 0 HB3 PRO A 2 -2.385 3.310 -3.679 1.00 53.34 H new ATOM 0 HG2 PRO A 2 0.468 4.259 -3.849 1.00 61.45 H new ATOM 0 HG3 PRO A 2 -0.660 4.396 -2.514 1.00 61.45 H new ATOM 0 HD2 PRO A 2 1.264 2.469 -2.564 1.00 64.34 H new ATOM 0 HD3 PRO A 2 -0.287 2.194 -1.796 1.00 64.34 H new ATOM 32 N LEU A 3 -1.012 2.905 -7.060 1.00 65.32 N ATOM 33 CA LEU A 3 -0.457 3.152 -8.387 1.00 34.41 C ATOM 34 C LEU A 3 -0.344 4.648 -8.660 1.00 5.04 C ATOM 35 O LEU A 3 -1.241 5.420 -8.322 1.00 0.44 O ATOM 36 CB LEU A 3 -1.329 2.492 -9.456 1.00 75.44 C ATOM 37 CG LEU A 3 -1.091 2.952 -10.895 1.00 12.11 C ATOM 38 CD1 LEU A 3 0.285 2.516 -11.374 1.00 11.42 C ATOM 39 CD2 LEU A 3 -2.175 2.409 -11.815 1.00 42.21 C ATOM 0 H LEU A 3 -1.930 3.320 -6.903 1.00 65.32 H new ATOM 0 HA LEU A 3 0.542 2.718 -8.423 1.00 34.41 H new ATOM 0 HB2 LEU A 3 -1.172 1.414 -9.410 1.00 75.44 H new ATOM 0 HB3 LEU A 3 -2.374 2.673 -9.206 1.00 75.44 H new ATOM 0 HG LEU A 3 -1.134 4.041 -10.920 1.00 12.11 H new ATOM 0 HD11 LEU A 3 0.437 2.852 -12.400 1.00 11.42 H new ATOM 0 HD12 LEU A 3 1.049 2.954 -10.732 1.00 11.42 H new ATOM 0 HD13 LEU A 3 0.357 1.429 -11.334 1.00 11.42 H new ATOM 0 HD21 LEU A 3 -1.989 2.746 -12.835 1.00 42.21 H new ATOM 0 HD22 LEU A 3 -2.165 1.319 -11.786 1.00 42.21 H new ATOM 0 HD23 LEU A 3 -3.148 2.772 -11.484 1.00 42.21 H new ATOM 51 N ILE A 4 0.764 5.049 -9.274 1.00 51.52 N ATOM 52 CA ILE A 4 0.993 6.453 -9.595 1.00 71.33 C ATOM 53 C ILE A 4 1.039 6.671 -11.104 1.00 11.23 C ATOM 54 O ILE A 4 1.680 5.914 -11.833 1.00 71.13 O ATOM 55 CB ILE A 4 2.305 6.966 -8.973 1.00 63.44 C ATOM 56 CG1 ILE A 4 2.345 6.648 -7.477 1.00 73.53 C ATOM 57 CG2 ILE A 4 2.453 8.462 -9.206 1.00 75.25 C ATOM 58 CD1 ILE A 4 1.134 7.149 -6.721 1.00 24.31 C ATOM 0 H ILE A 4 1.517 4.422 -9.559 1.00 51.52 H new ATOM 0 HA ILE A 4 0.158 7.013 -9.174 1.00 71.33 H new ATOM 0 HB ILE A 4 3.140 6.459 -9.455 1.00 63.44 H new ATOM 0 HG12 ILE A 4 2.425 5.569 -7.345 1.00 73.53 H new ATOM 0 HG13 ILE A 4 3.242 7.090 -7.044 1.00 73.53 H new ATOM 0 HG21 ILE A 4 3.385 8.809 -8.760 1.00 75.25 H new ATOM 0 HG22 ILE A 4 2.465 8.664 -10.277 1.00 75.25 H new ATOM 0 HG23 ILE A 4 1.614 8.986 -8.748 1.00 75.25 H new ATOM 0 HD11 ILE A 4 1.230 6.889 -5.667 1.00 24.31 H new ATOM 0 HD12 ILE A 4 1.064 8.232 -6.822 1.00 24.31 H new ATOM 0 HD13 ILE A 4 0.234 6.688 -7.128 1.00 24.31 H new ATOM 70 N THR A 5 0.356 7.714 -11.566 1.00 74.45 N ATOM 71 CA THR A 5 0.318 8.033 -12.988 1.00 4.11 C ATOM 72 C THR A 5 1.470 8.953 -13.375 1.00 4.52 C ATOM 73 O THR A 5 1.448 10.149 -13.082 1.00 2.11 O ATOM 74 CB THR A 5 -1.012 8.703 -13.379 1.00 14.05 C ATOM 75 OG1 THR A 5 -2.105 7.819 -13.105 1.00 61.52 O ATOM 76 CG2 THR A 5 -1.016 9.081 -14.852 1.00 41.20 C ATOM 0 H THR A 5 -0.178 8.352 -10.976 1.00 74.45 H new ATOM 0 HA THR A 5 0.412 7.090 -13.526 1.00 4.11 H new ATOM 0 HB THR A 5 -1.123 9.612 -12.787 1.00 14.05 H new ATOM 0 HG1 THR A 5 -2.947 8.253 -13.355 1.00 61.52 H new ATOM 0 HG21 THR A 5 -1.966 9.553 -15.104 1.00 41.20 H new ATOM 0 HG22 THR A 5 -0.201 9.777 -15.051 1.00 41.20 H new ATOM 0 HG23 THR A 5 -0.884 8.185 -15.458 1.00 41.20 H new ATOM 84 N PHE A 6 2.476 8.389 -14.035 1.00 41.43 N ATOM 85 CA PHE A 6 3.638 9.160 -14.462 1.00 40.14 C ATOM 86 C PHE A 6 3.449 9.687 -15.882 1.00 2.00 C ATOM 87 O PHE A 6 3.068 8.943 -16.786 1.00 24.30 O ATOM 88 CB PHE A 6 4.902 8.301 -14.389 1.00 73.53 C ATOM 89 CG PHE A 6 5.120 7.669 -13.044 1.00 44.31 C ATOM 90 CD1 PHE A 6 5.035 8.427 -11.887 1.00 23.42 C ATOM 91 CD2 PHE A 6 5.410 6.319 -12.937 1.00 24.24 C ATOM 92 CE1 PHE A 6 5.237 7.848 -10.648 1.00 12.32 C ATOM 93 CE2 PHE A 6 5.612 5.735 -11.700 1.00 65.22 C ATOM 94 CZ PHE A 6 5.525 6.501 -10.554 1.00 75.43 C ATOM 0 H PHE A 6 2.510 7.401 -14.286 1.00 41.43 H new ATOM 0 HA PHE A 6 3.746 10.010 -13.789 1.00 40.14 H new ATOM 0 HB2 PHE A 6 4.843 7.518 -15.145 1.00 73.53 H new ATOM 0 HB3 PHE A 6 5.766 8.918 -14.636 1.00 73.53 H new ATOM 0 HD1 PHE A 6 4.809 9.481 -11.954 1.00 23.42 H new ATOM 0 HD2 PHE A 6 5.479 5.715 -13.830 1.00 24.24 H new ATOM 0 HE1 PHE A 6 5.170 8.449 -9.753 1.00 12.32 H new ATOM 0 HE2 PHE A 6 5.838 4.681 -11.630 1.00 65.22 H new ATOM 0 HZ PHE A 6 5.682 6.047 -9.587 1.00 75.43 H new ATOM 104 N ILE A 7 3.718 10.975 -16.069 1.00 74.21 N ATOM 105 CA ILE A 7 3.578 11.601 -17.378 1.00 11.43 C ATOM 106 C ILE A 7 4.932 11.750 -18.063 1.00 51.13 C ATOM 107 O ILE A 7 5.848 12.369 -17.523 1.00 2.41 O ATOM 108 CB ILE A 7 2.915 12.987 -17.270 1.00 55.24 C ATOM 109 CG1 ILE A 7 1.634 12.901 -16.438 1.00 31.44 C ATOM 110 CG2 ILE A 7 2.615 13.540 -18.656 1.00 24.10 C ATOM 111 CD1 ILE A 7 1.858 13.130 -14.959 1.00 52.33 C ATOM 0 H ILE A 7 4.034 11.605 -15.331 1.00 74.21 H new ATOM 0 HA ILE A 7 2.941 10.948 -17.975 1.00 11.43 H new ATOM 0 HB ILE A 7 3.606 13.665 -16.770 1.00 55.24 H new ATOM 0 HG12 ILE A 7 0.920 13.637 -16.807 1.00 31.44 H new ATOM 0 HG13 ILE A 7 1.182 11.919 -16.581 1.00 31.44 H new ATOM 0 HG21 ILE A 7 2.147 14.520 -18.563 1.00 24.10 H new ATOM 0 HG22 ILE A 7 3.543 13.633 -19.219 1.00 24.10 H new ATOM 0 HG23 ILE A 7 1.940 12.863 -19.179 1.00 24.10 H new ATOM 0 HD11 ILE A 7 0.907 13.054 -14.431 1.00 52.33 H new ATOM 0 HD12 ILE A 7 2.547 12.378 -14.575 1.00 52.33 H new ATOM 0 HD13 ILE A 7 2.281 14.123 -14.804 1.00 52.33 H new ATOM 123 N SER A 8 5.050 11.179 -19.258 1.00 0.22 N ATOM 124 CA SER A 8 6.293 11.246 -20.018 1.00 11.35 C ATOM 125 C SER A 8 6.403 12.573 -20.764 1.00 34.54 C ATOM 126 O SER A 8 5.414 13.272 -20.988 1.00 63.50 O ATOM 127 CB SER A 8 6.373 10.083 -21.008 1.00 25.22 C ATOM 128 OG SER A 8 6.190 10.533 -22.339 1.00 70.40 O ATOM 0 H SER A 8 4.300 10.665 -19.720 1.00 0.22 H new ATOM 0 HA SER A 8 7.124 11.174 -19.316 1.00 11.35 H new ATOM 0 HB2 SER A 8 7.341 9.590 -20.917 1.00 25.22 H new ATOM 0 HB3 SER A 8 5.613 9.341 -20.764 1.00 25.22 H new ATOM 0 HG SER A 8 6.553 9.869 -22.962 1.00 70.40 H new ATOM 134 N PRO A 9 7.634 12.929 -21.158 1.00 23.52 N ATOM 135 CA PRO A 9 7.904 14.172 -21.885 1.00 41.40 C ATOM 136 C PRO A 9 7.351 14.145 -23.306 1.00 21.12 C ATOM 137 O PRO A 9 7.273 15.177 -23.972 1.00 4.31 O ATOM 138 CB PRO A 9 9.433 14.246 -21.908 1.00 31.44 C ATOM 139 CG PRO A 9 9.882 12.830 -21.786 1.00 53.30 C ATOM 140 CD PRO A 9 8.858 12.144 -20.924 1.00 63.24 C ATOM 0 HA PRO A 9 7.429 15.031 -21.412 1.00 41.40 H new ATOM 0 HB2 PRO A 9 9.794 14.698 -22.832 1.00 31.44 H new ATOM 0 HB3 PRO A 9 9.812 14.854 -21.087 1.00 31.44 H new ATOM 0 HG2 PRO A 9 9.949 12.356 -22.765 1.00 53.30 H new ATOM 0 HG3 PRO A 9 10.873 12.772 -21.336 1.00 53.30 H new ATOM 0 HD2 PRO A 9 8.727 11.100 -21.209 1.00 63.24 H new ATOM 0 HD3 PRO A 9 9.146 12.153 -19.873 1.00 63.24 H new ATOM 148 N ASP A 10 6.968 12.958 -23.763 1.00 52.25 N ATOM 149 CA ASP A 10 6.420 12.797 -25.105 1.00 61.34 C ATOM 150 C ASP A 10 4.895 12.790 -25.073 1.00 20.13 C ATOM 151 O ASP A 10 4.248 12.230 -25.957 1.00 15.45 O ATOM 152 CB ASP A 10 6.935 11.502 -25.737 1.00 51.31 C ATOM 153 CG ASP A 10 6.840 11.519 -27.250 1.00 43.01 C ATOM 154 OD1 ASP A 10 7.752 12.077 -27.895 1.00 3.10 O ATOM 155 OD2 ASP A 10 5.854 10.975 -27.789 1.00 71.33 O ATOM 0 H ASP A 10 7.027 12.094 -23.225 1.00 52.25 H new ATOM 0 HA ASP A 10 6.749 13.643 -25.708 1.00 61.34 H new ATOM 0 HB2 ASP A 10 7.973 11.345 -25.443 1.00 51.31 H new ATOM 0 HB3 ASP A 10 6.363 10.659 -25.349 1.00 51.31 H new ATOM 160 N GLY A 11 4.327 13.415 -24.046 1.00 1.13 N ATOM 161 CA GLY A 11 2.883 13.468 -23.916 1.00 53.12 C ATOM 162 C GLY A 11 2.279 12.115 -23.597 1.00 22.30 C ATOM 163 O GLY A 11 1.062 11.940 -23.658 1.00 2.33 O ATOM 0 H GLY A 11 4.842 13.886 -23.302 1.00 1.13 H new ATOM 0 HA2 GLY A 11 2.618 14.175 -23.130 1.00 53.12 H new ATOM 0 HA3 GLY A 11 2.452 13.845 -24.843 1.00 53.12 H new ATOM 167 N SER A 12 3.132 11.153 -23.257 1.00 40.44 N ATOM 168 CA SER A 12 2.676 9.807 -22.933 1.00 23.21 C ATOM 169 C SER A 12 2.517 9.636 -21.425 1.00 73.13 C ATOM 170 O SER A 12 2.714 10.579 -20.658 1.00 72.44 O ATOM 171 CB SER A 12 3.661 8.768 -23.474 1.00 13.21 C ATOM 172 OG SER A 12 3.944 8.999 -24.843 1.00 71.42 O ATOM 0 H SER A 12 4.142 11.281 -23.199 1.00 40.44 H new ATOM 0 HA SER A 12 1.704 9.656 -23.403 1.00 23.21 H new ATOM 0 HB2 SER A 12 4.585 8.803 -22.897 1.00 13.21 H new ATOM 0 HB3 SER A 12 3.245 7.768 -23.349 1.00 13.21 H new ATOM 0 HG SER A 12 4.577 8.323 -25.165 1.00 71.42 H new ATOM 178 N ARG A 13 2.158 8.426 -21.008 1.00 2.10 N ATOM 179 CA ARG A 13 1.970 8.131 -19.593 1.00 25.43 C ATOM 180 C ARG A 13 2.412 6.706 -19.272 1.00 31.34 C ATOM 181 O ARG A 13 2.256 5.797 -20.087 1.00 75.33 O ATOM 182 CB ARG A 13 0.505 8.323 -19.200 1.00 35.51 C ATOM 183 CG ARG A 13 -0.476 7.715 -20.190 1.00 21.44 C ATOM 184 CD ARG A 13 -0.927 8.734 -21.224 1.00 63.44 C ATOM 185 NE ARG A 13 -2.118 9.460 -20.794 1.00 50.40 N ATOM 186 CZ ARG A 13 -2.649 10.469 -21.475 1.00 54.52 C ATOM 187 NH1 ARG A 13 -2.098 10.869 -22.613 1.00 71.30 N ATOM 188 NH2 ARG A 13 -3.735 11.081 -21.019 1.00 2.13 N ATOM 0 H ARG A 13 1.992 7.635 -21.630 1.00 2.10 H new ATOM 0 HA ARG A 13 2.586 8.823 -19.018 1.00 25.43 H new ATOM 0 HB2 ARG A 13 0.340 7.879 -18.218 1.00 35.51 H new ATOM 0 HB3 ARG A 13 0.300 9.389 -19.106 1.00 35.51 H new ATOM 0 HG2 ARG A 13 -0.010 6.867 -20.692 1.00 21.44 H new ATOM 0 HG3 ARG A 13 -1.344 7.330 -19.654 1.00 21.44 H new ATOM 0 HD2 ARG A 13 -0.119 9.442 -21.412 1.00 63.44 H new ATOM 0 HD3 ARG A 13 -1.132 8.227 -22.167 1.00 63.44 H new ATOM 0 HE ARG A 13 -2.567 9.177 -19.923 1.00 50.40 H new ATOM 0 HH11 ARG A 13 -1.264 10.401 -22.968 1.00 71.30 H new ATOM 0 HH12 ARG A 13 -2.508 11.644 -23.134 1.00 71.30 H new ATOM 0 HH21 ARG A 13 -4.163 10.776 -20.145 1.00 2.13 H new ATOM 0 HH22 ARG A 13 -4.142 11.856 -21.543 1.00 2.13 H new ATOM 202 N LYS A 14 2.965 6.518 -18.078 1.00 73.11 N ATOM 203 CA LYS A 14 3.429 5.204 -17.647 1.00 53.43 C ATOM 204 C LYS A 14 2.676 4.743 -16.403 1.00 62.55 C ATOM 205 O LYS A 14 2.385 5.538 -15.510 1.00 2.05 O ATOM 206 CB LYS A 14 4.932 5.240 -17.363 1.00 60.32 C ATOM 207 CG LYS A 14 5.775 5.561 -18.585 1.00 54.33 C ATOM 208 CD LYS A 14 6.009 4.328 -19.441 1.00 63.21 C ATOM 209 CE LYS A 14 4.876 4.114 -20.433 1.00 43.12 C ATOM 210 NZ LYS A 14 5.345 3.435 -21.673 1.00 3.12 N ATOM 0 H LYS A 14 3.103 7.260 -17.391 1.00 73.11 H new ATOM 0 HA LYS A 14 3.234 4.495 -18.451 1.00 53.43 H new ATOM 0 HB2 LYS A 14 5.129 5.983 -16.591 1.00 60.32 H new ATOM 0 HB3 LYS A 14 5.241 4.274 -16.963 1.00 60.32 H new ATOM 0 HG2 LYS A 14 5.279 6.328 -19.179 1.00 54.33 H new ATOM 0 HG3 LYS A 14 6.733 5.973 -18.269 1.00 54.33 H new ATOM 0 HD2 LYS A 14 6.951 4.431 -19.980 1.00 63.21 H new ATOM 0 HD3 LYS A 14 6.103 3.451 -18.800 1.00 63.21 H new ATOM 0 HE2 LYS A 14 4.093 3.517 -19.966 1.00 43.12 H new ATOM 0 HE3 LYS A 14 4.433 5.076 -20.691 1.00 43.12 H new ATOM 0 HZ1 LYS A 14 4.544 3.308 -22.323 1.00 3.12 H new ATOM 0 HZ2 LYS A 14 6.075 4.017 -22.132 1.00 3.12 H new ATOM 0 HZ3 LYS A 14 5.745 2.506 -21.430 1.00 3.12 H new ATOM 224 N THR A 15 2.364 3.451 -16.351 1.00 44.22 N ATOM 225 CA THR A 15 1.646 2.884 -15.217 1.00 65.51 C ATOM 226 C THR A 15 2.535 1.931 -14.425 1.00 11.54 C ATOM 227 O THR A 15 2.924 0.873 -14.919 1.00 50.34 O ATOM 228 CB THR A 15 0.383 2.129 -15.673 1.00 10.35 C ATOM 229 OG1 THR A 15 -0.330 2.907 -16.641 1.00 5.11 O ATOM 230 CG2 THR A 15 -0.524 1.829 -14.489 1.00 12.12 C ATOM 0 H THR A 15 2.598 2.778 -17.081 1.00 44.22 H new ATOM 0 HA THR A 15 1.352 3.718 -14.579 1.00 65.51 H new ATOM 0 HB THR A 15 0.692 1.185 -16.122 1.00 10.35 H new ATOM 0 HG1 THR A 15 -1.131 2.419 -16.927 1.00 5.11 H new ATOM 0 HG21 THR A 15 -1.409 1.296 -14.835 1.00 12.12 H new ATOM 0 HG22 THR A 15 0.012 1.213 -13.767 1.00 12.12 H new ATOM 0 HG23 THR A 15 -0.825 2.763 -14.016 1.00 12.12 H new ATOM 238 N TYR A 16 2.852 2.313 -13.193 1.00 10.35 N ATOM 239 CA TYR A 16 3.697 1.494 -12.332 1.00 35.41 C ATOM 240 C TYR A 16 3.294 1.647 -10.868 1.00 62.22 C ATOM 241 O TYR A 16 3.144 2.761 -10.369 1.00 12.25 O ATOM 242 CB TYR A 16 5.167 1.876 -12.511 1.00 33.01 C ATOM 243 CG TYR A 16 5.808 1.260 -13.734 1.00 30.02 C ATOM 244 CD1 TYR A 16 5.655 1.837 -14.988 1.00 44.42 C ATOM 245 CD2 TYR A 16 6.567 0.101 -13.634 1.00 65.44 C ATOM 246 CE1 TYR A 16 6.239 1.277 -16.108 1.00 51.51 C ATOM 247 CE2 TYR A 16 7.156 -0.466 -14.749 1.00 11.43 C ATOM 248 CZ TYR A 16 6.988 0.126 -15.983 1.00 43.23 C ATOM 249 OH TYR A 16 7.572 -0.434 -17.096 1.00 44.13 O ATOM 0 H TYR A 16 2.536 3.185 -12.768 1.00 10.35 H new ATOM 0 HA TYR A 16 3.562 0.451 -12.620 1.00 35.41 H new ATOM 0 HB2 TYR A 16 5.246 2.961 -12.577 1.00 33.01 H new ATOM 0 HB3 TYR A 16 5.724 1.569 -11.626 1.00 33.01 H new ATOM 0 HD1 TYR A 16 5.070 2.739 -15.089 1.00 44.42 H new ATOM 0 HD2 TYR A 16 6.699 -0.365 -12.669 1.00 65.44 H new ATOM 0 HE1 TYR A 16 6.110 1.738 -17.076 1.00 51.51 H new ATOM 0 HE2 TYR A 16 7.744 -1.367 -14.654 1.00 11.43 H new ATOM 0 HH TYR A 16 8.066 -1.240 -16.836 1.00 44.13 H new ATOM 259 N GLU A 17 3.122 0.518 -10.187 1.00 43.12 N ATOM 260 CA GLU A 17 2.737 0.526 -8.781 1.00 3.42 C ATOM 261 C GLU A 17 3.861 1.085 -7.912 1.00 53.45 C ATOM 262 O GLU A 17 4.965 0.543 -7.883 1.00 0.22 O ATOM 263 CB GLU A 17 2.377 -0.887 -8.320 1.00 34.35 C ATOM 264 CG GLU A 17 0.936 -1.273 -8.609 1.00 53.10 C ATOM 265 CD GLU A 17 0.715 -2.773 -8.576 1.00 44.23 C ATOM 266 OE1 GLU A 17 1.090 -3.406 -7.568 1.00 23.33 O ATOM 267 OE2 GLU A 17 0.167 -3.313 -9.560 1.00 44.11 O ATOM 0 H GLU A 17 3.243 -0.413 -10.586 1.00 43.12 H new ATOM 0 HA GLU A 17 1.864 1.169 -8.674 1.00 3.42 H new ATOM 0 HB2 GLU A 17 3.040 -1.600 -8.810 1.00 34.35 H new ATOM 0 HB3 GLU A 17 2.558 -0.968 -7.248 1.00 34.35 H new ATOM 0 HG2 GLU A 17 0.283 -0.797 -7.877 1.00 53.10 H new ATOM 0 HG3 GLU A 17 0.651 -0.889 -9.588 1.00 53.10 H new ATOM 274 N ALA A 18 3.570 2.174 -7.208 1.00 31.15 N ATOM 275 CA ALA A 18 4.554 2.806 -6.338 1.00 11.14 C ATOM 276 C ALA A 18 4.322 2.425 -4.879 1.00 44.32 C ATOM 277 O ALA A 18 3.245 1.953 -4.514 1.00 45.12 O ATOM 278 CB ALA A 18 4.511 4.318 -6.503 1.00 60.15 C ATOM 0 H ALA A 18 2.661 2.637 -7.223 1.00 31.15 H new ATOM 0 HA ALA A 18 5.542 2.448 -6.628 1.00 11.14 H new ATOM 0 HB1 ALA A 18 5.251 4.777 -5.847 1.00 60.15 H new ATOM 0 HB2 ALA A 18 4.733 4.577 -7.538 1.00 60.15 H new ATOM 0 HB3 ALA A 18 3.518 4.684 -6.242 1.00 60.15 H new ATOM 284 N TYR A 19 5.339 2.633 -4.050 1.00 63.41 N ATOM 285 CA TYR A 19 5.247 2.308 -2.632 1.00 23.23 C ATOM 286 C TYR A 19 5.330 3.569 -1.777 1.00 44.25 C ATOM 287 O TYR A 19 5.442 4.679 -2.299 1.00 13.15 O ATOM 288 CB TYR A 19 6.361 1.336 -2.236 1.00 52.52 C ATOM 289 CG TYR A 19 5.898 -0.098 -2.116 1.00 64.13 C ATOM 290 CD1 TYR A 19 5.709 -0.884 -3.246 1.00 60.14 C ATOM 291 CD2 TYR A 19 5.650 -0.667 -0.873 1.00 61.35 C ATOM 292 CE1 TYR A 19 5.286 -2.195 -3.142 1.00 20.21 C ATOM 293 CE2 TYR A 19 5.228 -1.978 -0.759 1.00 44.24 C ATOM 294 CZ TYR A 19 5.048 -2.738 -1.896 1.00 54.54 C ATOM 295 OH TYR A 19 4.626 -4.043 -1.787 1.00 42.10 O ATOM 0 H TYR A 19 6.236 3.025 -4.336 1.00 63.41 H new ATOM 0 HA TYR A 19 4.281 1.835 -2.456 1.00 23.23 H new ATOM 0 HB2 TYR A 19 7.159 1.391 -2.976 1.00 52.52 H new ATOM 0 HB3 TYR A 19 6.787 1.653 -1.284 1.00 52.52 H new ATOM 0 HD1 TYR A 19 5.896 -0.463 -4.223 1.00 60.14 H new ATOM 0 HD2 TYR A 19 5.789 -0.075 0.019 1.00 61.35 H new ATOM 0 HE1 TYR A 19 5.142 -2.791 -4.031 1.00 20.21 H new ATOM 0 HE2 TYR A 19 5.040 -2.405 0.215 1.00 44.24 H new ATOM 0 HH TYR A 19 3.765 -4.148 -2.243 1.00 42.10 H new ATOM 305 N ASP A 20 5.276 3.390 -0.462 1.00 70.44 N ATOM 306 CA ASP A 20 5.347 4.512 0.466 1.00 33.11 C ATOM 307 C ASP A 20 6.797 4.893 0.749 1.00 34.40 C ATOM 308 O ASP A 20 7.548 4.119 1.341 1.00 61.24 O ATOM 309 CB ASP A 20 4.633 4.165 1.774 1.00 51.43 C ATOM 310 CG ASP A 20 4.140 5.397 2.508 1.00 20.31 C ATOM 311 OD1 ASP A 20 4.831 6.435 2.455 1.00 43.10 O ATOM 312 OD2 ASP A 20 3.063 5.322 3.137 1.00 63.32 O ATOM 0 H ASP A 20 5.183 2.478 -0.015 1.00 70.44 H new ATOM 0 HA ASP A 20 4.850 5.365 0.005 1.00 33.11 H new ATOM 0 HB2 ASP A 20 3.788 3.510 1.561 1.00 51.43 H new ATOM 0 HB3 ASP A 20 5.313 3.609 2.419 1.00 51.43 H new ATOM 317 N GLY A 21 7.183 6.091 0.321 1.00 62.31 N ATOM 318 CA GLY A 21 8.542 6.553 0.536 1.00 31.53 C ATOM 319 C GLY A 21 9.556 5.768 -0.273 1.00 11.51 C ATOM 320 O GLY A 21 10.761 5.900 -0.064 1.00 3.42 O ATOM 0 H GLY A 21 6.579 6.750 -0.171 1.00 62.31 H new ATOM 0 HA2 GLY A 21 8.610 7.608 0.272 1.00 31.53 H new ATOM 0 HA3 GLY A 21 8.786 6.473 1.595 1.00 31.53 H new ATOM 324 N GLU A 22 9.066 4.949 -1.198 1.00 44.02 N ATOM 325 CA GLU A 22 9.940 4.139 -2.039 1.00 73.13 C ATOM 326 C GLU A 22 10.233 4.846 -3.359 1.00 44.50 C ATOM 327 O GLU A 22 9.320 5.290 -4.057 1.00 23.55 O ATOM 328 CB GLU A 22 9.302 2.775 -2.310 1.00 72.22 C ATOM 329 CG GLU A 22 10.254 1.772 -2.941 1.00 54.30 C ATOM 330 CD GLU A 22 10.901 0.859 -1.918 1.00 44.41 C ATOM 331 OE1 GLU A 22 11.823 1.320 -1.212 1.00 13.21 O ATOM 332 OE2 GLU A 22 10.488 -0.315 -1.824 1.00 13.12 O ATOM 0 H GLU A 22 8.070 4.829 -1.384 1.00 44.02 H new ATOM 0 HA GLU A 22 10.881 3.994 -1.508 1.00 73.13 H new ATOM 0 HB2 GLU A 22 8.926 2.366 -1.372 1.00 72.22 H new ATOM 0 HB3 GLU A 22 8.442 2.909 -2.966 1.00 72.22 H new ATOM 0 HG2 GLU A 22 9.711 1.169 -3.669 1.00 54.30 H new ATOM 0 HG3 GLU A 22 11.031 2.308 -3.487 1.00 54.30 H new ATOM 339 N THR A 23 11.515 4.950 -3.696 1.00 24.30 N ATOM 340 CA THR A 23 11.931 5.604 -4.930 1.00 11.30 C ATOM 341 C THR A 23 11.734 4.688 -6.132 1.00 33.20 C ATOM 342 O THR A 23 11.668 3.466 -5.990 1.00 34.01 O ATOM 343 CB THR A 23 13.408 6.038 -4.866 1.00 73.12 C ATOM 344 OG1 THR A 23 13.814 6.580 -6.128 1.00 11.55 O ATOM 345 CG2 THR A 23 14.302 4.862 -4.503 1.00 34.13 C ATOM 0 H THR A 23 12.283 4.589 -3.131 1.00 24.30 H new ATOM 0 HA THR A 23 11.305 6.489 -5.045 1.00 11.30 H new ATOM 0 HB THR A 23 13.507 6.801 -4.094 1.00 73.12 H new ATOM 0 HG1 THR A 23 14.753 6.855 -6.079 1.00 11.55 H new ATOM 0 HG21 THR A 23 15.340 5.193 -4.464 1.00 34.13 H new ATOM 0 HG22 THR A 23 14.009 4.469 -3.529 1.00 34.13 H new ATOM 0 HG23 THR A 23 14.198 4.080 -5.256 1.00 34.13 H new ATOM 353 N LEU A 24 11.641 5.284 -7.316 1.00 30.25 N ATOM 354 CA LEU A 24 11.452 4.520 -8.544 1.00 50.10 C ATOM 355 C LEU A 24 12.608 3.549 -8.765 1.00 15.31 C ATOM 356 O LEU A 24 12.430 2.479 -9.348 1.00 23.31 O ATOM 357 CB LEU A 24 11.328 5.465 -9.741 1.00 65.40 C ATOM 358 CG LEU A 24 10.318 5.059 -10.815 1.00 31.05 C ATOM 359 CD1 LEU A 24 9.146 6.028 -10.838 1.00 31.24 C ATOM 360 CD2 LEU A 24 10.987 4.996 -12.180 1.00 32.41 C ATOM 0 H LEU A 24 11.693 6.294 -7.451 1.00 30.25 H new ATOM 0 HA LEU A 24 10.532 3.944 -8.447 1.00 50.10 H new ATOM 0 HB2 LEU A 24 11.057 6.454 -9.371 1.00 65.40 H new ATOM 0 HB3 LEU A 24 12.308 5.557 -10.209 1.00 65.40 H new ATOM 0 HG LEU A 24 9.938 4.066 -10.573 1.00 31.05 H new ATOM 0 HD11 LEU A 24 8.437 5.724 -11.608 1.00 31.24 H new ATOM 0 HD12 LEU A 24 8.651 6.023 -9.867 1.00 31.24 H new ATOM 0 HD13 LEU A 24 9.509 7.033 -11.055 1.00 31.24 H new ATOM 0 HD21 LEU A 24 10.253 4.706 -12.932 1.00 32.41 H new ATOM 0 HD22 LEU A 24 11.395 5.975 -12.431 1.00 32.41 H new ATOM 0 HD23 LEU A 24 11.793 4.262 -12.157 1.00 32.41 H new ATOM 372 N LEU A 25 13.790 3.929 -8.294 1.00 23.30 N ATOM 373 CA LEU A 25 14.976 3.091 -8.438 1.00 33.43 C ATOM 374 C LEU A 25 14.741 1.708 -7.839 1.00 33.33 C ATOM 375 O LEU A 25 15.110 0.693 -8.430 1.00 4.22 O ATOM 376 CB LEU A 25 16.178 3.754 -7.763 1.00 71.41 C ATOM 377 CG LEU A 25 17.554 3.245 -8.194 1.00 21.12 C ATOM 378 CD1 LEU A 25 18.621 4.292 -7.915 1.00 24.41 C ATOM 379 CD2 LEU A 25 17.886 1.940 -7.485 1.00 61.10 C ATOM 0 H LEU A 25 13.953 4.811 -7.809 1.00 23.30 H new ATOM 0 HA LEU A 25 15.183 2.976 -9.502 1.00 33.43 H new ATOM 0 HB2 LEU A 25 16.132 4.826 -7.956 1.00 71.41 H new ATOM 0 HB3 LEU A 25 16.084 3.620 -6.685 1.00 71.41 H new ATOM 0 HG LEU A 25 17.531 3.056 -9.267 1.00 21.12 H new ATOM 0 HD11 LEU A 25 19.594 3.913 -8.228 1.00 24.41 H new ATOM 0 HD12 LEU A 25 18.391 5.202 -8.469 1.00 24.41 H new ATOM 0 HD13 LEU A 25 18.644 4.513 -6.848 1.00 24.41 H new ATOM 0 HD21 LEU A 25 18.869 1.592 -7.804 1.00 61.10 H new ATOM 0 HD22 LEU A 25 17.891 2.102 -6.407 1.00 61.10 H new ATOM 0 HD23 LEU A 25 17.137 1.189 -7.735 1.00 61.10 H new ATOM 391 N SER A 26 14.122 1.675 -6.663 1.00 14.11 N ATOM 392 CA SER A 26 13.838 0.417 -5.983 1.00 23.32 C ATOM 393 C SER A 26 12.774 -0.379 -6.733 1.00 43.31 C ATOM 394 O SER A 26 12.711 -1.605 -6.631 1.00 3.44 O ATOM 395 CB SER A 26 13.377 0.680 -4.548 1.00 51.52 C ATOM 396 OG SER A 26 14.400 1.302 -3.790 1.00 12.32 O ATOM 0 H SER A 26 13.808 2.506 -6.161 1.00 14.11 H new ATOM 0 HA SER A 26 14.757 -0.169 -5.960 1.00 23.32 H new ATOM 0 HB2 SER A 26 12.491 1.314 -4.558 1.00 51.52 H new ATOM 0 HB3 SER A 26 13.091 -0.260 -4.076 1.00 51.52 H new ATOM 0 HG SER A 26 14.080 1.461 -2.877 1.00 12.32 H new ATOM 402 N LEU A 27 11.939 0.327 -7.487 1.00 43.44 N ATOM 403 CA LEU A 27 10.877 -0.311 -8.256 1.00 74.22 C ATOM 404 C LEU A 27 11.439 -1.406 -9.157 1.00 72.21 C ATOM 405 O LEU A 27 10.744 -2.365 -9.493 1.00 2.12 O ATOM 406 CB LEU A 27 10.135 0.728 -9.099 1.00 60.21 C ATOM 407 CG LEU A 27 8.647 0.464 -9.333 1.00 42.12 C ATOM 408 CD1 LEU A 27 7.847 0.767 -8.076 1.00 50.41 C ATOM 409 CD2 LEU A 27 8.137 1.291 -10.505 1.00 30.52 C ATOM 0 H LEU A 27 11.977 1.342 -7.582 1.00 43.44 H new ATOM 0 HA LEU A 27 10.178 -0.766 -7.554 1.00 74.22 H new ATOM 0 HB2 LEU A 27 10.240 1.700 -8.616 1.00 60.21 H new ATOM 0 HB3 LEU A 27 10.628 0.799 -10.069 1.00 60.21 H new ATOM 0 HG LEU A 27 8.518 -0.591 -9.575 1.00 42.12 H new ATOM 0 HD11 LEU A 27 6.791 0.573 -8.262 1.00 50.41 H new ATOM 0 HD12 LEU A 27 8.195 0.132 -7.261 1.00 50.41 H new ATOM 0 HD13 LEU A 27 7.981 1.814 -7.803 1.00 50.41 H new ATOM 0 HD21 LEU A 27 7.076 1.091 -10.657 1.00 30.52 H new ATOM 0 HD22 LEU A 27 8.279 2.350 -10.292 1.00 30.52 H new ATOM 0 HD23 LEU A 27 8.690 1.025 -11.406 1.00 30.52 H new ATOM 421 N ALA A 28 12.702 -1.257 -9.543 1.00 73.22 N ATOM 422 CA ALA A 28 13.359 -2.235 -10.401 1.00 74.33 C ATOM 423 C ALA A 28 13.284 -3.634 -9.797 1.00 53.44 C ATOM 424 O ALA A 28 13.330 -4.634 -10.514 1.00 51.23 O ATOM 425 CB ALA A 28 14.808 -1.839 -10.641 1.00 12.44 C ATOM 0 H ALA A 28 13.291 -0.468 -9.275 1.00 73.22 H new ATOM 0 HA ALA A 28 12.836 -2.252 -11.357 1.00 74.33 H new ATOM 0 HB1 ALA A 28 15.286 -2.579 -11.283 1.00 12.44 H new ATOM 0 HB2 ALA A 28 14.843 -0.862 -11.124 1.00 12.44 H new ATOM 0 HB3 ALA A 28 15.335 -1.792 -9.688 1.00 12.44 H new ATOM 431 N HIS A 29 13.169 -3.696 -8.475 1.00 34.55 N ATOM 432 CA HIS A 29 13.087 -4.973 -7.774 1.00 65.31 C ATOM 433 C HIS A 29 11.884 -5.780 -8.252 1.00 15.52 C ATOM 434 O HIS A 29 12.027 -6.907 -8.724 1.00 65.22 O ATOM 435 CB HIS A 29 12.997 -4.746 -6.265 1.00 25.23 C ATOM 436 CG HIS A 29 14.330 -4.569 -5.605 1.00 44.22 C ATOM 437 ND1 HIS A 29 14.536 -4.771 -4.257 1.00 33.13 N ATOM 438 CD2 HIS A 29 15.530 -4.207 -6.117 1.00 23.31 C ATOM 439 CE1 HIS A 29 15.804 -4.540 -3.967 1.00 72.12 C ATOM 440 NE2 HIS A 29 16.429 -4.197 -5.079 1.00 1.32 N ATOM 0 H HIS A 29 13.130 -2.878 -7.867 1.00 34.55 H new ATOM 0 HA HIS A 29 13.992 -5.539 -7.995 1.00 65.31 H new ATOM 0 HB2 HIS A 29 12.386 -3.863 -6.075 1.00 25.23 H new ATOM 0 HB3 HIS A 29 12.484 -5.593 -5.808 1.00 25.23 H new ATOM 0 HD2 HIS A 29 15.741 -3.970 -7.149 1.00 23.31 H new ATOM 0 HE1 HIS A 29 16.253 -4.618 -2.988 1.00 72.12 H new ATOM 0 HE2 HIS A 29 17.419 -3.963 -5.154 1.00 1.32 H new ATOM 716 N VAL A 50 6.909 14.477 1.456 1.00 5.10 N ATOM 717 CA VAL A 50 5.932 14.395 0.377 1.00 3.10 C ATOM 718 C VAL A 50 6.561 14.763 -0.962 1.00 54.24 C ATOM 719 O VAL A 50 7.516 15.538 -1.019 1.00 53.22 O ATOM 720 CB VAL A 50 4.729 15.320 0.638 1.00 33.14 C ATOM 721 CG1 VAL A 50 3.825 14.730 1.710 1.00 74.10 C ATOM 722 CG2 VAL A 50 5.202 16.710 1.035 1.00 53.33 C ATOM 0 HA VAL A 50 5.585 13.362 0.341 1.00 3.10 H new ATOM 0 HB VAL A 50 4.153 15.406 -0.283 1.00 33.14 H new ATOM 0 HG11 VAL A 50 2.980 15.397 1.881 1.00 74.10 H new ATOM 0 HG12 VAL A 50 3.458 13.757 1.382 1.00 74.10 H new ATOM 0 HG13 VAL A 50 4.388 14.612 2.636 1.00 74.10 H new ATOM 0 HG21 VAL A 50 4.339 17.350 1.216 1.00 53.33 H new ATOM 0 HG22 VAL A 50 5.802 16.645 1.943 1.00 53.33 H new ATOM 0 HG23 VAL A 50 5.805 17.132 0.231 1.00 53.33 H new ATOM 732 N ILE A 51 6.018 14.203 -2.038 1.00 72.20 N ATOM 733 CA ILE A 51 6.524 14.474 -3.378 1.00 24.43 C ATOM 734 C ILE A 51 5.385 14.572 -4.387 1.00 23.43 C ATOM 735 O ILE A 51 4.721 13.579 -4.686 1.00 61.15 O ATOM 736 CB ILE A 51 7.510 13.383 -3.838 1.00 3.53 C ATOM 737 CG1 ILE A 51 7.619 13.375 -5.364 1.00 22.21 C ATOM 738 CG2 ILE A 51 7.070 12.021 -3.325 1.00 31.50 C ATOM 739 CD1 ILE A 51 8.696 12.451 -5.888 1.00 24.04 C ATOM 0 H ILE A 51 5.228 13.559 -2.008 1.00 72.20 H new ATOM 0 HA ILE A 51 7.047 15.429 -3.331 1.00 24.43 H new ATOM 0 HB ILE A 51 8.494 13.604 -3.424 1.00 3.53 H new ATOM 0 HG12 ILE A 51 6.659 13.078 -5.787 1.00 22.21 H new ATOM 0 HG13 ILE A 51 7.821 14.388 -5.711 1.00 22.21 H new ATOM 0 HG21 ILE A 51 7.777 11.261 -3.658 1.00 31.50 H new ATOM 0 HG22 ILE A 51 7.039 12.035 -2.236 1.00 31.50 H new ATOM 0 HG23 ILE A 51 6.078 11.789 -3.713 1.00 31.50 H new ATOM 0 HD11 ILE A 51 8.716 12.496 -6.977 1.00 24.04 H new ATOM 0 HD12 ILE A 51 9.664 12.760 -5.494 1.00 24.04 H new ATOM 0 HD13 ILE A 51 8.485 11.430 -5.571 1.00 24.04 H new ATOM 751 N ILE A 52 5.166 15.774 -4.908 1.00 62.23 N ATOM 752 CA ILE A 52 4.109 16.001 -5.886 1.00 63.32 C ATOM 753 C ILE A 52 4.643 16.735 -7.112 1.00 14.04 C ATOM 754 O ILE A 52 5.703 17.359 -7.061 1.00 54.25 O ATOM 755 CB ILE A 52 2.947 16.811 -5.282 1.00 23.34 C ATOM 756 CG1 ILE A 52 3.475 17.806 -4.247 1.00 2.43 C ATOM 757 CG2 ILE A 52 1.923 15.878 -4.653 1.00 55.41 C ATOM 758 CD1 ILE A 52 4.476 18.791 -4.811 1.00 30.54 C ATOM 0 H ILE A 52 5.706 16.606 -4.670 1.00 62.23 H new ATOM 0 HA ILE A 52 3.740 15.020 -6.185 1.00 63.32 H new ATOM 0 HB ILE A 52 2.459 17.370 -6.080 1.00 23.34 H new ATOM 0 HG12 ILE A 52 2.635 18.356 -3.823 1.00 2.43 H new ATOM 0 HG13 ILE A 52 3.940 17.255 -3.430 1.00 2.43 H new ATOM 0 HG21 ILE A 52 1.108 16.465 -4.230 1.00 55.41 H new ATOM 0 HG22 ILE A 52 1.529 15.204 -5.414 1.00 55.41 H new ATOM 0 HG23 ILE A 52 2.398 15.295 -3.864 1.00 55.41 H new ATOM 0 HD11 ILE A 52 4.807 19.465 -4.021 1.00 30.54 H new ATOM 0 HD12 ILE A 52 5.334 18.250 -5.210 1.00 30.54 H new ATOM 0 HD13 ILE A 52 4.009 19.368 -5.609 1.00 30.54 H new ATOM 770 N ASP A 53 3.900 16.657 -8.210 1.00 42.44 N ATOM 771 CA ASP A 53 4.296 17.317 -9.449 1.00 44.21 C ATOM 772 C ASP A 53 4.636 18.783 -9.199 1.00 45.22 C ATOM 773 O ASP A 53 4.240 19.375 -8.195 1.00 51.54 O ATOM 774 CB ASP A 53 3.180 17.210 -10.489 1.00 32.01 C ATOM 775 CG ASP A 53 1.800 17.319 -9.870 1.00 41.21 C ATOM 776 OD1 ASP A 53 1.642 18.100 -8.909 1.00 33.35 O ATOM 777 OD2 ASP A 53 0.879 16.623 -10.347 1.00 12.32 O ATOM 0 H ASP A 53 3.020 16.144 -8.268 1.00 42.44 H new ATOM 0 HA ASP A 53 5.186 16.816 -9.830 1.00 44.21 H new ATOM 0 HB2 ASP A 53 3.304 17.996 -11.233 1.00 32.01 H new ATOM 0 HB3 ASP A 53 3.266 16.258 -11.013 1.00 32.01 H new ATOM 782 N PRO A 54 5.390 19.384 -10.132 1.00 72.35 N ATOM 783 CA PRO A 54 5.801 20.787 -10.035 1.00 54.54 C ATOM 784 C PRO A 54 4.631 21.748 -10.221 1.00 71.14 C ATOM 785 O PRO A 54 4.761 22.951 -9.994 1.00 33.43 O ATOM 786 CB PRO A 54 6.807 20.943 -11.179 1.00 33.54 C ATOM 787 CG PRO A 54 6.426 19.891 -12.163 1.00 45.11 C ATOM 788 CD PRO A 54 5.898 18.738 -11.355 1.00 1.53 C ATOM 0 HA PRO A 54 6.211 21.024 -9.053 1.00 54.54 H new ATOM 0 HB2 PRO A 54 6.752 21.938 -11.622 1.00 33.54 H new ATOM 0 HB3 PRO A 54 7.830 20.806 -10.828 1.00 33.54 H new ATOM 0 HG2 PRO A 54 5.670 20.260 -12.856 1.00 45.11 H new ATOM 0 HG3 PRO A 54 7.285 19.587 -12.761 1.00 45.11 H new ATOM 0 HD2 PRO A 54 5.109 18.204 -11.885 1.00 1.53 H new ATOM 0 HD3 PRO A 54 6.680 18.012 -11.131 1.00 1.53 H new ATOM 796 N SER A 55 3.489 21.209 -10.636 1.00 12.01 N ATOM 797 CA SER A 55 2.297 22.019 -10.856 1.00 15.44 C ATOM 798 C SER A 55 1.580 22.299 -9.538 1.00 53.42 C ATOM 799 O SER A 55 1.002 23.370 -9.349 1.00 21.22 O ATOM 800 CB SER A 55 1.347 21.315 -11.826 1.00 71.33 C ATOM 801 OG SER A 55 2.062 20.705 -12.887 1.00 31.22 O ATOM 0 H SER A 55 3.364 20.215 -10.827 1.00 12.01 H new ATOM 0 HA SER A 55 2.609 22.969 -11.290 1.00 15.44 H new ATOM 0 HB2 SER A 55 0.769 20.561 -11.291 1.00 71.33 H new ATOM 0 HB3 SER A 55 0.635 22.035 -12.230 1.00 71.33 H new ATOM 0 HG SER A 55 1.433 20.260 -13.492 1.00 31.22 H new ATOM 807 N TRP A 56 1.622 21.330 -8.632 1.00 32.22 N ATOM 808 CA TRP A 56 0.976 21.471 -7.331 1.00 64.14 C ATOM 809 C TRP A 56 1.950 22.025 -6.298 1.00 3.33 C ATOM 810 O TRP A 56 1.540 22.609 -5.295 1.00 15.34 O ATOM 811 CB TRP A 56 0.428 20.122 -6.862 1.00 42.21 C ATOM 812 CG TRP A 56 -0.834 19.718 -7.562 1.00 0.10 C ATOM 813 CD1 TRP A 56 -1.796 20.549 -8.062 1.00 20.42 C ATOM 814 CD2 TRP A 56 -1.271 18.383 -7.837 1.00 73.23 C ATOM 815 NE1 TRP A 56 -2.805 19.810 -8.631 1.00 51.13 N ATOM 816 CE2 TRP A 56 -2.507 18.479 -8.507 1.00 64.05 C ATOM 817 CE3 TRP A 56 -0.739 17.116 -7.585 1.00 62.31 C ATOM 818 CZ2 TRP A 56 -3.216 17.356 -8.926 1.00 5.03 C ATOM 819 CZ3 TRP A 56 -1.444 16.002 -8.001 1.00 2.24 C ATOM 820 CH2 TRP A 56 -2.671 16.128 -8.665 1.00 62.15 C ATOM 0 H TRP A 56 2.096 20.438 -8.773 1.00 32.22 H new ATOM 0 HA TRP A 56 0.149 22.174 -7.437 1.00 64.14 H new ATOM 0 HB2 TRP A 56 1.185 19.355 -7.022 1.00 42.21 H new ATOM 0 HB3 TRP A 56 0.242 20.167 -5.789 1.00 42.21 H new ATOM 0 HD1 TRP A 56 -1.768 21.628 -8.017 1.00 20.42 H new ATOM 0 HE1 TRP A 56 -3.641 20.191 -9.074 1.00 51.13 H new ATOM 0 HE3 TRP A 56 0.206 17.009 -7.074 1.00 62.31 H new ATOM 0 HZ2 TRP A 56 -4.162 17.451 -9.438 1.00 5.03 H new ATOM 0 HZ3 TRP A 56 -1.042 15.018 -7.811 1.00 2.24 H new ATOM 0 HH2 TRP A 56 -3.198 15.238 -8.977 1.00 62.15 H new ATOM 831 N TYR A 57 3.241 21.839 -6.548 1.00 44.32 N ATOM 832 CA TYR A 57 4.274 22.319 -5.637 1.00 53.43 C ATOM 833 C TYR A 57 4.077 23.799 -5.323 1.00 3.33 C ATOM 834 O TYR A 57 4.081 24.204 -4.160 1.00 40.21 O ATOM 835 CB TYR A 57 5.661 22.095 -6.241 1.00 70.31 C ATOM 836 CG TYR A 57 6.784 22.672 -5.410 1.00 1.51 C ATOM 837 CD1 TYR A 57 7.318 21.965 -4.340 1.00 13.34 C ATOM 838 CD2 TYR A 57 7.312 23.926 -5.696 1.00 22.44 C ATOM 839 CE1 TYR A 57 8.343 22.490 -3.577 1.00 62.11 C ATOM 840 CE2 TYR A 57 8.339 24.457 -4.939 1.00 52.44 C ATOM 841 CZ TYR A 57 8.851 23.736 -3.881 1.00 75.00 C ATOM 842 OH TYR A 57 9.873 24.261 -3.125 1.00 1.42 O ATOM 0 H TYR A 57 3.598 21.359 -7.374 1.00 44.32 H new ATOM 0 HA TYR A 57 4.195 21.754 -4.708 1.00 53.43 H new ATOM 0 HB2 TYR A 57 5.825 21.025 -6.365 1.00 70.31 H new ATOM 0 HB3 TYR A 57 5.691 22.540 -7.236 1.00 70.31 H new ATOM 0 HD1 TYR A 57 6.925 20.988 -4.101 1.00 13.34 H new ATOM 0 HD2 TYR A 57 6.913 24.494 -6.523 1.00 22.44 H new ATOM 0 HE1 TYR A 57 8.745 21.928 -2.747 1.00 62.11 H new ATOM 0 HE2 TYR A 57 8.739 25.432 -5.175 1.00 52.44 H new ATOM 0 HH TYR A 57 10.116 25.145 -3.472 1.00 1.42 H new ATOM 852 N ASP A 58 3.905 24.602 -6.368 1.00 24.55 N ATOM 853 CA ASP A 58 3.705 26.037 -6.205 1.00 25.23 C ATOM 854 C ASP A 58 2.452 26.321 -5.382 1.00 45.13 C ATOM 855 O ASP A 58 2.359 27.349 -4.711 1.00 21.14 O ATOM 856 CB ASP A 58 3.599 26.717 -7.571 1.00 22.34 C ATOM 857 CG ASP A 58 4.004 28.177 -7.523 1.00 55.14 C ATOM 858 OD1 ASP A 58 5.203 28.467 -7.716 1.00 73.21 O ATOM 859 OD2 ASP A 58 3.121 29.030 -7.293 1.00 11.41 O ATOM 0 H ASP A 58 3.900 24.283 -7.337 1.00 24.55 H new ATOM 0 HA ASP A 58 4.566 26.441 -5.673 1.00 25.23 H new ATOM 0 HB2 ASP A 58 4.232 26.191 -8.286 1.00 22.34 H new ATOM 0 HB3 ASP A 58 2.574 26.639 -7.934 1.00 22.34 H new ATOM 864 N ILE A 59 1.492 25.405 -5.441 1.00 70.11 N ATOM 865 CA ILE A 59 0.245 25.558 -4.702 1.00 20.42 C ATOM 866 C ILE A 59 0.438 25.230 -3.225 1.00 10.50 C ATOM 867 O ILE A 59 0.078 26.019 -2.351 1.00 55.11 O ATOM 868 CB ILE A 59 -0.864 24.655 -5.275 1.00 45.33 C ATOM 869 CG1 ILE A 59 -1.117 24.994 -6.746 1.00 22.51 C ATOM 870 CG2 ILE A 59 -2.142 24.806 -4.464 1.00 24.31 C ATOM 871 CD1 ILE A 59 -1.550 26.425 -6.971 1.00 2.33 C ATOM 0 H ILE A 59 1.554 24.549 -5.993 1.00 70.11 H new ATOM 0 HA ILE A 59 -0.057 26.600 -4.805 1.00 20.42 H new ATOM 0 HB ILE A 59 -0.537 23.617 -5.211 1.00 45.33 H new ATOM 0 HG12 ILE A 59 -0.207 24.805 -7.316 1.00 22.51 H new ATOM 0 HG13 ILE A 59 -1.883 24.325 -7.138 1.00 22.51 H new ATOM 0 HG21 ILE A 59 -2.916 24.162 -4.881 1.00 24.31 H new ATOM 0 HG22 ILE A 59 -1.952 24.521 -3.429 1.00 24.31 H new ATOM 0 HG23 ILE A 59 -2.475 25.843 -4.500 1.00 24.31 H new ATOM 0 HD11 ILE A 59 -1.711 26.593 -8.036 1.00 2.33 H new ATOM 0 HD12 ILE A 59 -2.477 26.614 -6.429 1.00 2.33 H new ATOM 0 HD13 ILE A 59 -0.775 27.101 -6.610 1.00 2.33 H new ATOM 883 N VAL A 60 1.011 24.062 -2.953 1.00 51.21 N ATOM 884 CA VAL A 60 1.255 23.631 -1.582 1.00 2.22 C ATOM 885 C VAL A 60 2.266 24.540 -0.892 1.00 1.21 C ATOM 886 O VAL A 60 2.272 24.661 0.333 1.00 54.34 O ATOM 887 CB VAL A 60 1.769 22.180 -1.533 1.00 32.03 C ATOM 888 CG1 VAL A 60 0.695 21.217 -2.016 1.00 22.34 C ATOM 889 CG2 VAL A 60 3.037 22.036 -2.360 1.00 22.10 C ATOM 0 H VAL A 60 1.315 23.397 -3.664 1.00 51.21 H new ATOM 0 HA VAL A 60 0.301 23.689 -1.058 1.00 2.22 H new ATOM 0 HB VAL A 60 2.007 21.932 -0.499 1.00 32.03 H new ATOM 0 HG11 VAL A 60 1.076 20.197 -1.974 1.00 22.34 H new ATOM 0 HG12 VAL A 60 -0.184 21.302 -1.377 1.00 22.34 H new ATOM 0 HG13 VAL A 60 0.423 21.461 -3.043 1.00 22.34 H new ATOM 0 HG21 VAL A 60 3.386 21.004 -2.314 1.00 22.10 H new ATOM 0 HG22 VAL A 60 2.828 22.303 -3.396 1.00 22.10 H new ATOM 0 HG23 VAL A 60 3.807 22.698 -1.964 1.00 22.10 H new ATOM 899 N GLU A 61 3.120 25.178 -1.687 1.00 31.51 N ATOM 900 CA GLU A 61 4.136 26.076 -1.152 1.00 21.14 C ATOM 901 C GLU A 61 3.522 27.414 -0.749 1.00 62.24 C ATOM 902 O GLU A 61 3.965 28.048 0.208 1.00 34.21 O ATOM 903 CB GLU A 61 5.244 26.300 -2.182 1.00 44.24 C ATOM 904 CG GLU A 61 6.229 27.389 -1.791 1.00 13.44 C ATOM 905 CD GLU A 61 6.986 27.061 -0.518 1.00 53.52 C ATOM 906 OE1 GLU A 61 6.394 27.192 0.574 1.00 50.42 O ATOM 907 OE2 GLU A 61 8.169 26.674 -0.614 1.00 51.42 O ATOM 0 H GLU A 61 3.128 25.089 -2.703 1.00 31.51 H new ATOM 0 HA GLU A 61 4.564 25.611 -0.264 1.00 21.14 H new ATOM 0 HB2 GLU A 61 5.787 25.366 -2.328 1.00 44.24 H new ATOM 0 HB3 GLU A 61 4.791 26.558 -3.139 1.00 44.24 H new ATOM 0 HG2 GLU A 61 6.940 27.540 -2.603 1.00 13.44 H new ATOM 0 HG3 GLU A 61 5.693 28.329 -1.659 1.00 13.44 H new ATOM 914 N GLN A 62 2.501 27.836 -1.488 1.00 63.25 N ATOM 915 CA GLN A 62 1.828 29.099 -1.210 1.00 34.52 C ATOM 916 C GLN A 62 0.695 28.902 -0.208 1.00 20.44 C ATOM 917 O GLN A 62 0.324 29.827 0.515 1.00 21.15 O ATOM 918 CB GLN A 62 1.280 29.705 -2.503 1.00 44.20 C ATOM 919 CG GLN A 62 0.134 28.912 -3.109 1.00 52.44 C ATOM 920 CD GLN A 62 -0.539 29.643 -4.255 1.00 34.15 C ATOM 921 OE1 GLN A 62 -1.447 30.448 -4.044 1.00 74.44 O ATOM 922 NE2 GLN A 62 -0.097 29.366 -5.475 1.00 61.05 N ATOM 0 H GLN A 62 2.122 27.322 -2.283 1.00 63.25 H new ATOM 0 HA GLN A 62 2.558 29.783 -0.777 1.00 34.52 H new ATOM 0 HB2 GLN A 62 0.941 30.722 -2.303 1.00 44.20 H new ATOM 0 HB3 GLN A 62 2.087 29.776 -3.232 1.00 44.20 H new ATOM 0 HG2 GLN A 62 0.509 27.953 -3.465 1.00 52.44 H new ATOM 0 HG3 GLN A 62 -0.604 28.698 -2.336 1.00 52.44 H new ATOM 0 HE21 GLN A 62 0.658 28.692 -5.603 1.00 61.05 H new ATOM 0 HE22 GLN A 62 -0.512 29.827 -6.285 1.00 61.05 H new ATOM 931 N HIS A 63 0.149 27.690 -0.170 1.00 14.41 N ATOM 932 CA HIS A 63 -0.942 27.372 0.744 1.00 14.04 C ATOM 933 C HIS A 63 -0.403 26.955 2.109 1.00 11.14 C ATOM 934 O HIS A 63 -1.168 26.627 3.015 1.00 23.25 O ATOM 935 CB HIS A 63 -1.813 26.257 0.165 1.00 62.34 C ATOM 936 CG HIS A 63 -3.115 26.079 0.883 1.00 71.34 C ATOM 937 ND1 HIS A 63 -3.373 25.014 1.720 1.00 14.21 N ATOM 938 CD2 HIS A 63 -4.235 26.838 0.886 1.00 53.52 C ATOM 939 CE1 HIS A 63 -4.597 25.126 2.206 1.00 23.11 C ATOM 940 NE2 HIS A 63 -5.141 26.225 1.716 1.00 71.13 N ATOM 0 H HIS A 63 0.444 26.913 -0.761 1.00 14.41 H new ATOM 0 HA HIS A 63 -1.549 28.268 0.871 1.00 14.04 H new ATOM 0 HB2 HIS A 63 -2.013 26.472 -0.885 1.00 62.34 H new ATOM 0 HB3 HIS A 63 -1.258 25.319 0.198 1.00 62.34 H new ATOM 0 HD2 HIS A 63 -4.388 27.756 0.337 1.00 53.52 H new ATOM 0 HE1 HIS A 63 -5.072 24.436 2.888 1.00 23.11 H new ATOM 0 HE2 HIS A 63 -6.081 26.563 1.921 1.00 71.13 H new ATOM 948 N ASN A 64 0.919 26.970 2.248 1.00 53.21 N ATOM 949 CA ASN A 64 1.560 26.592 3.502 1.00 41.30 C ATOM 950 C ASN A 64 2.506 27.689 3.981 1.00 12.34 C ATOM 951 O ASN A 64 3.278 28.242 3.199 1.00 55.34 O ATOM 952 CB ASN A 64 2.328 25.280 3.331 1.00 42.11 C ATOM 953 CG ASN A 64 2.412 24.487 4.621 1.00 71.13 C ATOM 954 OD1 ASN A 64 2.781 25.020 5.667 1.00 21.33 O ATOM 955 ND2 ASN A 64 2.069 23.206 4.551 1.00 73.13 N ATOM 0 H ASN A 64 1.567 27.240 1.508 1.00 53.21 H new ATOM 0 HA ASN A 64 0.781 26.454 4.252 1.00 41.30 H new ATOM 0 HB2 ASN A 64 1.841 24.674 2.566 1.00 42.11 H new ATOM 0 HB3 ASN A 64 3.335 25.496 2.974 1.00 42.11 H new ATOM 0 HD21 ASN A 64 2.106 22.622 5.386 1.00 73.13 H new ATOM 0 HD22 ASN A 64 1.769 22.806 3.662 1.00 73.13 H new ATOM 962 N GLU A 65 2.439 27.998 5.273 1.00 65.41 N ATOM 963 CA GLU A 65 3.290 29.029 5.856 1.00 31.40 C ATOM 964 C GLU A 65 4.689 28.487 6.133 1.00 23.14 C ATOM 965 O GLU A 65 4.852 27.330 6.524 1.00 44.45 O ATOM 966 CB GLU A 65 2.671 29.560 7.151 1.00 72.34 C ATOM 967 CG GLU A 65 2.752 28.581 8.310 1.00 14.01 C ATOM 968 CD GLU A 65 1.780 28.916 9.425 1.00 51.00 C ATOM 969 OE1 GLU A 65 0.556 28.852 9.185 1.00 2.24 O ATOM 970 OE2 GLU A 65 2.244 29.242 10.538 1.00 62.13 O ATOM 0 H GLU A 65 1.805 27.550 5.935 1.00 65.41 H new ATOM 0 HA GLU A 65 3.371 29.846 5.139 1.00 31.40 H new ATOM 0 HB2 GLU A 65 3.174 30.485 7.432 1.00 72.34 H new ATOM 0 HB3 GLU A 65 1.626 29.809 6.969 1.00 72.34 H new ATOM 0 HG2 GLU A 65 2.548 27.574 7.945 1.00 14.01 H new ATOM 0 HG3 GLU A 65 3.767 28.577 8.707 1.00 14.01 H new ATOM 977 N ILE A 66 5.695 29.331 5.929 1.00 62.43 N ATOM 978 CA ILE A 66 7.080 28.937 6.157 1.00 50.20 C ATOM 979 C ILE A 66 7.766 29.883 7.137 1.00 13.10 C ATOM 980 O ILE A 66 7.548 31.094 7.103 1.00 53.13 O ATOM 981 CB ILE A 66 7.881 28.909 4.842 1.00 3.11 C ATOM 982 CG1 ILE A 66 7.300 29.912 3.844 1.00 40.34 C ATOM 983 CG2 ILE A 66 7.883 27.507 4.252 1.00 35.34 C ATOM 984 CD1 ILE A 66 7.430 31.352 4.288 1.00 5.23 C ATOM 0 H ILE A 66 5.577 30.291 5.606 1.00 62.43 H new ATOM 0 HA ILE A 66 7.057 27.933 6.580 1.00 50.20 H new ATOM 0 HB ILE A 66 8.911 29.193 5.056 1.00 3.11 H new ATOM 0 HG12 ILE A 66 7.802 29.790 2.884 1.00 40.34 H new ATOM 0 HG13 ILE A 66 6.246 29.684 3.684 1.00 40.34 H new ATOM 0 HG21 ILE A 66 8.453 27.504 3.323 1.00 35.34 H new ATOM 0 HG22 ILE A 66 8.339 26.815 4.960 1.00 35.34 H new ATOM 0 HG23 ILE A 66 6.858 27.196 4.050 1.00 35.34 H new ATOM 0 HD11 ILE A 66 6.997 32.006 3.532 1.00 5.23 H new ATOM 0 HD12 ILE A 66 6.903 31.491 5.232 1.00 5.23 H new ATOM 0 HD13 ILE A 66 8.484 31.598 4.421 1.00 5.23 H new ATOM 996 N SER A 67 8.597 29.322 8.009 1.00 21.12 N ATOM 997 CA SER A 67 9.314 30.115 9.001 1.00 62.12 C ATOM 998 C SER A 67 10.665 30.571 8.458 1.00 21.01 C ATOM 999 O SER A 67 11.055 30.208 7.348 1.00 51.51 O ATOM 1000 CB SER A 67 9.514 29.306 10.284 1.00 0.10 C ATOM 1001 OG SER A 67 8.293 29.154 10.986 1.00 33.23 O ATOM 0 H SER A 67 8.791 28.321 8.049 1.00 21.12 H new ATOM 0 HA SER A 67 8.716 30.998 9.226 1.00 62.12 H new ATOM 0 HB2 SER A 67 9.921 28.325 10.039 1.00 0.10 H new ATOM 0 HB3 SER A 67 10.244 29.804 10.922 1.00 0.10 H new ATOM 0 HG SER A 67 8.447 28.632 11.801 1.00 33.23 H new ATOM 1007 N ASP A 68 11.375 31.368 9.249 1.00 14.21 N ATOM 1008 CA ASP A 68 12.683 31.874 8.850 1.00 52.01 C ATOM 1009 C ASP A 68 13.654 30.726 8.593 1.00 1.12 C ATOM 1010 O ASP A 68 14.490 30.798 7.693 1.00 3.24 O ATOM 1011 CB ASP A 68 13.245 32.803 9.927 1.00 33.34 C ATOM 1012 CG ASP A 68 13.107 32.222 11.321 1.00 13.52 C ATOM 1013 OD1 ASP A 68 12.041 32.418 11.943 1.00 42.21 O ATOM 1014 OD2 ASP A 68 14.064 31.572 11.790 1.00 33.11 O ATOM 0 H ASP A 68 11.066 31.678 10.171 1.00 14.21 H new ATOM 0 HA ASP A 68 12.561 32.437 7.925 1.00 52.01 H new ATOM 0 HB2 ASP A 68 14.297 32.999 9.721 1.00 33.34 H new ATOM 0 HB3 ASP A 68 12.727 33.761 9.883 1.00 33.34 H new ATOM 1019 N GLU A 69 13.537 29.669 9.391 1.00 43.01 N ATOM 1020 CA GLU A 69 14.407 28.507 9.250 1.00 31.03 C ATOM 1021 C GLU A 69 13.907 27.584 8.143 1.00 73.11 C ATOM 1022 O GLU A 69 14.697 26.940 7.454 1.00 21.54 O ATOM 1023 CB GLU A 69 14.487 27.740 10.572 1.00 63.44 C ATOM 1024 CG GLU A 69 13.193 27.039 10.948 1.00 33.12 C ATOM 1025 CD GLU A 69 13.317 26.231 12.225 1.00 32.14 C ATOM 1026 OE1 GLU A 69 13.931 25.145 12.184 1.00 65.13 O ATOM 1027 OE2 GLU A 69 12.799 26.686 13.267 1.00 71.30 O ATOM 0 H GLU A 69 12.849 29.593 10.141 1.00 43.01 H new ATOM 0 HA GLU A 69 15.403 28.860 8.982 1.00 31.03 H new ATOM 0 HB2 GLU A 69 15.285 27.000 10.506 1.00 63.44 H new ATOM 0 HB3 GLU A 69 14.760 28.433 11.368 1.00 63.44 H new ATOM 0 HG2 GLU A 69 12.404 27.781 11.067 1.00 33.12 H new ATOM 0 HG3 GLU A 69 12.891 26.380 10.134 1.00 33.12 H new ATOM 1034 N GLU A 70 12.589 27.526 7.979 1.00 33.00 N ATOM 1035 CA GLU A 70 11.983 26.681 6.957 1.00 62.24 C ATOM 1036 C GLU A 70 12.267 27.227 5.561 1.00 44.45 C ATOM 1037 O GLU A 70 12.753 26.508 4.688 1.00 14.51 O ATOM 1038 CB GLU A 70 10.473 26.577 7.178 1.00 53.20 C ATOM 1039 CG GLU A 70 9.874 25.269 6.688 1.00 40.40 C ATOM 1040 CD GLU A 70 10.501 24.057 7.349 1.00 53.11 C ATOM 1041 OE1 GLU A 70 9.997 23.634 8.410 1.00 13.04 O ATOM 1042 OE2 GLU A 70 11.495 23.532 6.805 1.00 35.34 O ATOM 0 H GLU A 70 11.921 28.054 8.541 1.00 33.00 H new ATOM 0 HA GLU A 70 12.424 25.687 7.037 1.00 62.24 H new ATOM 0 HB2 GLU A 70 10.262 26.688 8.242 1.00 53.20 H new ATOM 0 HB3 GLU A 70 9.982 27.405 6.668 1.00 53.20 H new ATOM 0 HG2 GLU A 70 8.801 25.270 6.882 1.00 40.40 H new ATOM 0 HG3 GLU A 70 10.003 25.197 5.608 1.00 40.40 H new ATOM 1049 N ASN A 71 11.961 28.505 5.358 1.00 75.43 N ATOM 1050 CA ASN A 71 12.181 29.148 4.068 1.00 45.22 C ATOM 1051 C ASN A 71 13.660 29.121 3.692 1.00 30.43 C ATOM 1052 O ASN A 71 14.012 29.137 2.513 1.00 52.34 O ATOM 1053 CB ASN A 71 11.680 30.593 4.103 1.00 55.13 C ATOM 1054 CG ASN A 71 12.194 31.412 2.935 1.00 4.41 C ATOM 1055 OD1 ASN A 71 13.322 31.906 2.958 1.00 10.12 O ATOM 1056 ND2 ASN A 71 11.368 31.561 1.906 1.00 32.25 N ATOM 0 H ASN A 71 11.560 29.115 6.070 1.00 75.43 H new ATOM 0 HA ASN A 71 11.622 28.594 3.314 1.00 45.22 H new ATOM 0 HB2 ASN A 71 10.590 30.597 4.094 1.00 55.13 H new ATOM 0 HB3 ASN A 71 11.993 31.061 5.037 1.00 55.13 H new ATOM 0 HD21 ASN A 71 11.660 32.102 1.092 1.00 32.25 H new ATOM 0 HD22 ASN A 71 10.442 31.134 1.929 1.00 32.25 H new ATOM 1063 N ASP A 72 14.521 29.078 4.703 1.00 34.33 N ATOM 1064 CA ASP A 72 15.961 29.046 4.480 1.00 24.00 C ATOM 1065 C ASP A 72 16.422 27.641 4.106 1.00 65.23 C ATOM 1066 O ASP A 72 17.322 27.471 3.284 1.00 62.25 O ATOM 1067 CB ASP A 72 16.703 29.524 5.729 1.00 22.33 C ATOM 1068 CG ASP A 72 18.181 29.749 5.475 1.00 73.33 C ATOM 1069 OD1 ASP A 72 18.965 28.792 5.648 1.00 4.51 O ATOM 1070 OD2 ASP A 72 18.552 30.881 5.101 1.00 23.33 O ATOM 0 H ASP A 72 14.246 29.065 5.685 1.00 34.33 H new ATOM 0 HA ASP A 72 16.190 29.717 3.652 1.00 24.00 H new ATOM 0 HB2 ASP A 72 16.253 30.452 6.082 1.00 22.33 H new ATOM 0 HB3 ASP A 72 16.582 28.788 6.524 1.00 22.33 H new ATOM 1075 N MET A 73 15.800 26.637 4.716 1.00 43.33 N ATOM 1076 CA MET A 73 16.147 25.247 4.446 1.00 62.30 C ATOM 1077 C MET A 73 16.126 24.962 2.948 1.00 71.14 C ATOM 1078 O MET A 73 16.931 24.179 2.443 1.00 64.42 O ATOM 1079 CB MET A 73 15.180 24.308 5.169 1.00 34.12 C ATOM 1080 CG MET A 73 15.554 24.049 6.620 1.00 53.24 C ATOM 1081 SD MET A 73 16.835 22.792 6.793 1.00 53.11 S ATOM 1082 CE MET A 73 17.512 23.218 8.396 1.00 71.55 C ATOM 0 H MET A 73 15.054 26.760 5.400 1.00 43.33 H new ATOM 0 HA MET A 73 17.157 25.073 4.817 1.00 62.30 H new ATOM 0 HB2 MET A 73 14.177 24.733 5.131 1.00 34.12 H new ATOM 0 HB3 MET A 73 15.143 23.358 4.637 1.00 34.12 H new ATOM 0 HG2 MET A 73 15.899 24.978 7.074 1.00 53.24 H new ATOM 0 HG3 MET A 73 14.666 23.736 7.170 1.00 53.24 H new ATOM 0 HE1 MET A 73 18.318 22.528 8.645 1.00 71.55 H new ATOM 0 HE2 MET A 73 17.901 24.236 8.368 1.00 71.55 H new ATOM 0 HE3 MET A 73 16.729 23.149 9.151 1.00 71.55 H new ATOM 1092 N LEU A 74 15.200 25.602 2.241 1.00 24.25 N ATOM 1093 CA LEU A 74 15.074 25.417 0.800 1.00 63.11 C ATOM 1094 C LEU A 74 16.346 25.856 0.081 1.00 21.33 C ATOM 1095 O LEU A 74 16.914 25.104 -0.711 1.00 23.21 O ATOM 1096 CB LEU A 74 13.876 26.205 0.268 1.00 43.34 C ATOM 1097 CG LEU A 74 13.709 26.227 -1.252 1.00 51.21 C ATOM 1098 CD1 LEU A 74 13.311 24.852 -1.765 1.00 51.02 C ATOM 1099 CD2 LEU A 74 12.678 27.270 -1.660 1.00 61.41 C ATOM 0 H LEU A 74 14.526 26.253 2.643 1.00 24.25 H new ATOM 0 HA LEU A 74 14.918 24.356 0.607 1.00 63.11 H new ATOM 0 HB2 LEU A 74 12.969 25.789 0.707 1.00 43.34 H new ATOM 0 HB3 LEU A 74 13.958 27.234 0.619 1.00 43.34 H new ATOM 0 HG LEU A 74 14.666 26.496 -1.700 1.00 51.21 H new ATOM 0 HD11 LEU A 74 13.197 24.887 -2.848 1.00 51.02 H new ATOM 0 HD12 LEU A 74 14.084 24.129 -1.505 1.00 51.02 H new ATOM 0 HD13 LEU A 74 12.367 24.553 -1.310 1.00 51.02 H new ATOM 0 HD21 LEU A 74 12.572 27.272 -2.745 1.00 61.41 H new ATOM 0 HD22 LEU A 74 11.718 27.031 -1.202 1.00 61.41 H new ATOM 0 HD23 LEU A 74 13.005 28.255 -1.326 1.00 61.41 H new ATOM 1111 N ASP A 75 16.788 27.076 0.365 1.00 65.23 N ATOM 1112 CA ASP A 75 17.996 27.614 -0.252 1.00 35.10 C ATOM 1113 C ASP A 75 19.204 26.738 0.064 1.00 72.24 C ATOM 1114 O ASP A 75 20.140 26.643 -0.731 1.00 43.50 O ATOM 1115 CB ASP A 75 18.246 29.043 0.230 1.00 5.43 C ATOM 1116 CG ASP A 75 19.146 29.822 -0.709 1.00 62.13 C ATOM 1117 OD1 ASP A 75 18.629 30.383 -1.698 1.00 34.10 O ATOM 1118 OD2 ASP A 75 20.368 29.871 -0.456 1.00 32.15 O ATOM 0 H ASP A 75 16.329 27.711 1.018 1.00 65.23 H new ATOM 0 HA ASP A 75 17.850 27.623 -1.332 1.00 35.10 H new ATOM 0 HB2 ASP A 75 17.293 29.562 0.329 1.00 5.43 H new ATOM 0 HB3 ASP A 75 18.698 29.015 1.222 1.00 5.43 H new ATOM 1123 N LEU A 76 19.177 26.099 1.228 1.00 1.53 N ATOM 1124 CA LEU A 76 20.271 25.231 1.650 1.00 10.32 C ATOM 1125 C LEU A 76 20.003 23.784 1.251 1.00 75.13 C ATOM 1126 O LEU A 76 20.708 22.871 1.678 1.00 32.43 O ATOM 1127 CB LEU A 76 20.469 25.326 3.164 1.00 13.21 C ATOM 1128 CG LEU A 76 21.312 26.502 3.658 1.00 25.44 C ATOM 1129 CD1 LEU A 76 22.734 26.398 3.128 1.00 2.44 C ATOM 1130 CD2 LEU A 76 20.681 27.823 3.244 1.00 64.22 C ATOM 0 H LEU A 76 18.410 26.165 1.897 1.00 1.53 H new ATOM 0 HA LEU A 76 21.180 25.564 1.149 1.00 10.32 H new ATOM 0 HB2 LEU A 76 19.488 25.385 3.636 1.00 13.21 H new ATOM 0 HB3 LEU A 76 20.933 24.402 3.508 1.00 13.21 H new ATOM 0 HG LEU A 76 21.348 26.467 4.747 1.00 25.44 H new ATOM 0 HD11 LEU A 76 23.320 27.243 3.490 1.00 2.44 H new ATOM 0 HD12 LEU A 76 23.185 25.469 3.476 1.00 2.44 H new ATOM 0 HD13 LEU A 76 22.718 26.408 2.038 1.00 2.44 H new ATOM 0 HD21 LEU A 76 21.295 28.648 3.604 1.00 64.22 H new ATOM 0 HD22 LEU A 76 20.613 27.869 2.157 1.00 64.22 H new ATOM 0 HD23 LEU A 76 19.682 27.899 3.673 1.00 64.22 H new ATOM 1142 N ALA A 77 18.979 23.583 0.427 1.00 45.05 N ATOM 1143 CA ALA A 77 18.621 22.248 -0.034 1.00 74.44 C ATOM 1144 C ALA A 77 19.162 21.986 -1.436 1.00 5.34 C ATOM 1145 O ALA A 77 18.500 22.276 -2.432 1.00 71.42 O ATOM 1146 CB ALA A 77 17.110 22.069 -0.009 1.00 31.43 C ATOM 0 H ALA A 77 18.383 24.328 0.066 1.00 45.05 H new ATOM 0 HA ALA A 77 19.074 21.524 0.643 1.00 74.44 H new ATOM 0 HB1 ALA A 77 16.856 21.067 -0.356 1.00 31.43 H new ATOM 0 HB2 ALA A 77 16.744 22.204 1.009 1.00 31.43 H new ATOM 0 HB3 ALA A 77 16.645 22.808 -0.662 1.00 31.43 H new ATOM 1152 N PHE A 78 20.371 21.438 -1.505 1.00 2.50 N ATOM 1153 CA PHE A 78 21.003 21.140 -2.785 1.00 31.21 C ATOM 1154 C PHE A 78 20.879 19.656 -3.119 1.00 44.24 C ATOM 1155 O PHE A 78 21.063 18.797 -2.258 1.00 42.12 O ATOM 1156 CB PHE A 78 22.478 21.547 -2.757 1.00 74.02 C ATOM 1157 CG PHE A 78 22.693 22.996 -2.424 1.00 24.50 C ATOM 1158 CD1 PHE A 78 22.465 23.980 -3.372 1.00 63.32 C ATOM 1159 CD2 PHE A 78 23.125 23.373 -1.163 1.00 12.05 C ATOM 1160 CE1 PHE A 78 22.663 25.314 -3.069 1.00 34.32 C ATOM 1161 CE2 PHE A 78 23.323 24.705 -0.853 1.00 43.32 C ATOM 1162 CZ PHE A 78 23.093 25.677 -1.808 1.00 22.32 C ATOM 0 H PHE A 78 20.932 21.191 -0.690 1.00 2.50 H new ATOM 0 HA PHE A 78 20.490 21.713 -3.558 1.00 31.21 H new ATOM 0 HB2 PHE A 78 23.003 20.932 -2.025 1.00 74.02 H new ATOM 0 HB3 PHE A 78 22.924 21.336 -3.729 1.00 74.02 H new ATOM 0 HD1 PHE A 78 22.128 23.702 -4.360 1.00 63.32 H new ATOM 0 HD2 PHE A 78 23.309 22.617 -0.414 1.00 12.05 H new ATOM 0 HE1 PHE A 78 22.482 26.071 -3.817 1.00 34.32 H new ATOM 0 HE2 PHE A 78 23.657 24.986 0.135 1.00 43.32 H new ATOM 0 HZ PHE A 78 23.249 26.718 -1.569 1.00 22.32 H new ATOM 1172 N GLY A 79 20.566 19.363 -4.378 1.00 11.31 N ATOM 1173 CA GLY A 79 20.422 17.984 -4.805 1.00 22.32 C ATOM 1174 C GLY A 79 18.972 17.583 -4.992 1.00 64.22 C ATOM 1175 O GLY A 79 18.666 16.682 -5.774 1.00 74.12 O ATOM 0 H GLY A 79 20.410 20.057 -5.109 1.00 11.31 H new ATOM 0 HA2 GLY A 79 20.959 17.839 -5.742 1.00 22.32 H new ATOM 0 HA3 GLY A 79 20.885 17.328 -4.067 1.00 22.32 H new ATOM 1179 N LEU A 80 18.078 18.251 -4.273 1.00 12.22 N ATOM 1180 CA LEU A 80 16.651 17.959 -4.362 1.00 64.30 C ATOM 1181 C LEU A 80 16.012 18.714 -5.523 1.00 2.23 C ATOM 1182 O LEU A 80 16.541 19.725 -5.987 1.00 20.11 O ATOM 1183 CB LEU A 80 15.952 18.327 -3.052 1.00 63.12 C ATOM 1184 CG LEU A 80 14.600 17.658 -2.802 1.00 25.53 C ATOM 1185 CD1 LEU A 80 14.785 16.178 -2.500 1.00 51.44 C ATOM 1186 CD2 LEU A 80 13.866 18.348 -1.662 1.00 4.43 C ATOM 0 H LEU A 80 18.315 18.999 -3.621 1.00 12.22 H new ATOM 0 HA LEU A 80 16.534 16.890 -4.540 1.00 64.30 H new ATOM 0 HB2 LEU A 80 16.617 18.076 -2.226 1.00 63.12 H new ATOM 0 HB3 LEU A 80 15.810 19.407 -3.030 1.00 63.12 H new ATOM 0 HG LEU A 80 13.997 17.752 -3.705 1.00 25.53 H new ATOM 0 HD11 LEU A 80 13.812 15.718 -2.325 1.00 51.44 H new ATOM 0 HD12 LEU A 80 15.269 15.692 -3.347 1.00 51.44 H new ATOM 0 HD13 LEU A 80 15.406 16.063 -1.612 1.00 51.44 H new ATOM 0 HD21 LEU A 80 12.906 17.858 -1.498 1.00 4.43 H new ATOM 0 HD22 LEU A 80 14.465 18.286 -0.753 1.00 4.43 H new ATOM 0 HD23 LEU A 80 13.701 19.395 -1.917 1.00 4.43 H new ATOM 1198 N THR A 81 14.869 18.219 -5.987 1.00 22.40 N ATOM 1199 CA THR A 81 14.157 18.847 -7.092 1.00 72.34 C ATOM 1200 C THR A 81 13.223 19.943 -6.592 1.00 71.15 C ATOM 1201 O THR A 81 12.989 20.072 -5.391 1.00 33.33 O ATOM 1202 CB THR A 81 13.338 17.815 -7.891 1.00 50.44 C ATOM 1203 OG1 THR A 81 12.655 16.931 -6.995 1.00 45.33 O ATOM 1204 CG2 THR A 81 14.237 17.011 -8.818 1.00 42.32 C ATOM 0 H THR A 81 14.417 17.384 -5.614 1.00 22.40 H new ATOM 0 HA THR A 81 14.911 19.286 -7.745 1.00 72.34 H new ATOM 0 HB THR A 81 12.608 18.353 -8.496 1.00 50.44 H new ATOM 0 HG1 THR A 81 11.909 16.502 -7.464 1.00 45.33 H new ATOM 0 HG21 THR A 81 13.636 16.289 -9.371 1.00 42.32 H new ATOM 0 HG22 THR A 81 14.732 17.684 -9.518 1.00 42.32 H new ATOM 0 HG23 THR A 81 14.988 16.483 -8.229 1.00 42.32 H new ATOM 1212 N ASP A 82 12.692 20.730 -7.521 1.00 53.14 N ATOM 1213 CA ASP A 82 11.781 21.815 -7.175 1.00 1.04 C ATOM 1214 C ASP A 82 10.362 21.292 -6.979 1.00 75.44 C ATOM 1215 O ASP A 82 9.444 22.053 -6.671 1.00 31.32 O ATOM 1216 CB ASP A 82 11.796 22.890 -8.263 1.00 24.22 C ATOM 1217 CG ASP A 82 13.161 23.529 -8.426 1.00 3.34 C ATOM 1218 OD1 ASP A 82 14.048 23.255 -7.590 1.00 51.32 O ATOM 1219 OD2 ASP A 82 13.343 24.304 -9.388 1.00 53.50 O ATOM 0 H ASP A 82 12.877 20.637 -8.520 1.00 53.14 H new ATOM 0 HA ASP A 82 12.120 22.254 -6.237 1.00 1.04 H new ATOM 0 HB2 ASP A 82 11.489 22.448 -9.211 1.00 24.22 H new ATOM 0 HB3 ASP A 82 11.064 23.660 -8.019 1.00 24.22 H new ATOM 1224 N THR A 83 10.187 19.986 -7.162 1.00 40.33 N ATOM 1225 CA THR A 83 8.880 19.361 -7.009 1.00 14.12 C ATOM 1226 C THR A 83 8.777 18.620 -5.681 1.00 22.23 C ATOM 1227 O THR A 83 7.680 18.355 -5.190 1.00 31.22 O ATOM 1228 CB THR A 83 8.589 18.376 -8.157 1.00 44.31 C ATOM 1229 OG1 THR A 83 9.247 17.128 -7.910 1.00 54.30 O ATOM 1230 CG2 THR A 83 9.055 18.945 -9.489 1.00 0.52 C ATOM 0 H THR A 83 10.935 19.341 -7.416 1.00 40.33 H new ATOM 0 HA THR A 83 8.142 20.163 -7.033 1.00 14.12 H new ATOM 0 HB THR A 83 7.512 18.216 -8.205 1.00 44.31 H new ATOM 0 HG1 THR A 83 9.056 16.507 -8.643 1.00 54.30 H new ATOM 0 HG21 THR A 83 8.839 18.232 -10.285 1.00 0.52 H new ATOM 0 HG22 THR A 83 8.532 19.880 -9.688 1.00 0.52 H new ATOM 0 HG23 THR A 83 10.128 19.131 -9.450 1.00 0.52 H new ATOM 1238 N SER A 84 9.927 18.288 -5.103 1.00 45.02 N ATOM 1239 CA SER A 84 9.967 17.574 -3.832 1.00 52.04 C ATOM 1240 C SER A 84 10.112 18.547 -2.667 1.00 0.54 C ATOM 1241 O SER A 84 11.093 19.287 -2.579 1.00 73.44 O ATOM 1242 CB SER A 84 11.123 16.572 -3.822 1.00 33.12 C ATOM 1243 OG SER A 84 11.121 15.804 -2.631 1.00 4.44 O ATOM 0 H SER A 84 10.844 18.502 -5.495 1.00 45.02 H new ATOM 0 HA SER A 84 9.027 17.034 -3.717 1.00 52.04 H new ATOM 0 HB2 SER A 84 11.043 15.911 -4.685 1.00 33.12 H new ATOM 0 HB3 SER A 84 12.070 17.104 -3.914 1.00 33.12 H new ATOM 0 HG SER A 84 10.716 14.929 -2.807 1.00 4.44 H new ATOM 1249 N ARG A 85 9.128 18.542 -1.773 1.00 63.50 N ATOM 1250 CA ARG A 85 9.145 19.424 -0.613 1.00 12.22 C ATOM 1251 C ARG A 85 9.409 18.636 0.667 1.00 61.35 C ATOM 1252 O ARG A 85 8.863 17.549 0.863 1.00 65.02 O ATOM 1253 CB ARG A 85 7.816 20.174 -0.497 1.00 45.20 C ATOM 1254 CG ARG A 85 6.619 19.263 -0.285 1.00 31.32 C ATOM 1255 CD ARG A 85 5.312 20.039 -0.337 1.00 60.55 C ATOM 1256 NE ARG A 85 5.361 21.248 0.479 1.00 55.40 N ATOM 1257 CZ ARG A 85 5.325 21.241 1.807 1.00 74.12 C ATOM 1258 NH1 ARG A 85 5.241 20.093 2.465 1.00 71.35 N ATOM 1259 NH2 ARG A 85 5.373 22.384 2.480 1.00 61.45 N ATOM 0 H ARG A 85 8.309 17.937 -1.830 1.00 63.50 H new ATOM 0 HA ARG A 85 9.952 20.144 -0.748 1.00 12.22 H new ATOM 0 HB2 ARG A 85 7.877 20.878 0.333 1.00 45.20 H new ATOM 0 HB3 ARG A 85 7.659 20.761 -1.402 1.00 45.20 H new ATOM 0 HG2 ARG A 85 6.612 18.485 -1.049 1.00 31.32 H new ATOM 0 HG3 ARG A 85 6.708 18.762 0.679 1.00 31.32 H new ATOM 0 HD2 ARG A 85 5.091 20.308 -1.370 1.00 60.55 H new ATOM 0 HD3 ARG A 85 4.498 19.402 0.008 1.00 60.55 H new ATOM 0 HE ARG A 85 5.426 22.148 0.003 1.00 55.40 H new ATOM 0 HH11 ARG A 85 5.204 19.212 1.952 1.00 71.35 H new ATOM 0 HH12 ARG A 85 5.214 20.090 3.485 1.00 71.35 H new ATOM 0 HH21 ARG A 85 5.438 23.269 1.978 1.00 61.45 H new ATOM 0 HH22 ARG A 85 5.345 22.377 3.500 1.00 61.45 H new ATOM 1273 N LEU A 86 10.250 19.190 1.534 1.00 75.45 N ATOM 1274 CA LEU A 86 10.587 18.538 2.795 1.00 42.35 C ATOM 1275 C LEU A 86 11.181 17.154 2.551 1.00 53.51 C ATOM 1276 O LEU A 86 11.151 16.292 3.428 1.00 45.13 O ATOM 1277 CB LEU A 86 9.346 18.425 3.681 1.00 73.51 C ATOM 1278 CG LEU A 86 9.603 18.281 5.181 1.00 2.44 C ATOM 1279 CD1 LEU A 86 10.387 19.475 5.705 1.00 63.34 C ATOM 1280 CD2 LEU A 86 8.290 18.131 5.936 1.00 41.32 C ATOM 0 H LEU A 86 10.711 20.088 1.387 1.00 75.45 H new ATOM 0 HA LEU A 86 11.334 19.148 3.303 1.00 42.35 H new ATOM 0 HB2 LEU A 86 8.729 19.309 3.522 1.00 73.51 H new ATOM 0 HB3 LEU A 86 8.764 17.566 3.348 1.00 73.51 H new ATOM 0 HG LEU A 86 10.197 17.382 5.343 1.00 2.44 H new ATOM 0 HD11 LEU A 86 10.561 19.355 6.774 1.00 63.34 H new ATOM 0 HD12 LEU A 86 11.344 19.538 5.187 1.00 63.34 H new ATOM 0 HD13 LEU A 86 9.819 20.389 5.530 1.00 63.34 H new ATOM 0 HD21 LEU A 86 8.493 18.030 7.002 1.00 41.32 H new ATOM 0 HD22 LEU A 86 7.670 19.012 5.767 1.00 41.32 H new ATOM 0 HD23 LEU A 86 7.765 17.244 5.581 1.00 41.32 H new ATOM 1292 N GLY A 87 11.721 16.950 1.353 1.00 2.33 N ATOM 1293 CA GLY A 87 12.316 15.670 1.016 1.00 1.14 C ATOM 1294 C GLY A 87 13.831 15.705 1.060 1.00 12.23 C ATOM 1295 O GLY A 87 14.421 16.616 1.642 1.00 13.43 O ATOM 0 H GLY A 87 11.757 17.648 0.610 1.00 2.33 H new ATOM 0 HA2 GLY A 87 11.953 14.911 1.709 1.00 1.14 H new ATOM 0 HA3 GLY A 87 11.991 15.373 0.019 1.00 1.14 H new ATOM 1299 N CYS A 88 14.462 14.711 0.446 1.00 51.14 N ATOM 1300 CA CYS A 88 15.918 14.630 0.419 1.00 1.30 C ATOM 1301 C CYS A 88 16.398 13.864 -0.809 1.00 72.32 C ATOM 1302 O CYS A 88 17.346 14.275 -1.477 1.00 72.04 O ATOM 1303 CB CYS A 88 16.436 13.956 1.690 1.00 35.14 C ATOM 1304 SG CYS A 88 15.535 12.457 2.150 1.00 61.34 S ATOM 0 H CYS A 88 13.988 13.950 -0.040 1.00 51.14 H new ATOM 0 HA CYS A 88 16.312 15.645 0.368 1.00 1.30 H new ATOM 0 HB2 CYS A 88 17.488 13.707 1.553 1.00 35.14 H new ATOM 0 HB3 CYS A 88 16.381 14.667 2.514 1.00 35.14 H new ATOM 0 HG CYS A 88 16.048 11.958 3.236 1.00 61.34 H new ATOM 1310 N GLN A 89 15.737 12.747 -1.099 1.00 3.24 N ATOM 1311 CA GLN A 89 16.099 11.922 -2.245 1.00 55.02 C ATOM 1312 C GLN A 89 14.904 11.727 -3.173 1.00 61.22 C ATOM 1313 O GLN A 89 14.923 10.863 -4.051 1.00 15.22 O ATOM 1314 CB GLN A 89 16.623 10.564 -1.777 1.00 65.54 C ATOM 1315 CG GLN A 89 17.612 9.928 -2.742 1.00 51.30 C ATOM 1316 CD GLN A 89 18.846 10.782 -2.960 1.00 14.03 C ATOM 1317 OE1 GLN A 89 19.492 11.215 -2.005 1.00 32.50 O ATOM 1318 NE2 GLN A 89 19.180 11.029 -4.221 1.00 14.31 N ATOM 0 H GLN A 89 14.949 12.393 -0.556 1.00 3.24 H new ATOM 0 HA GLN A 89 16.886 12.436 -2.798 1.00 55.02 H new ATOM 0 HB2 GLN A 89 17.102 10.684 -0.805 1.00 65.54 H new ATOM 0 HB3 GLN A 89 15.780 9.888 -1.635 1.00 65.54 H new ATOM 0 HG2 GLN A 89 17.913 8.953 -2.358 1.00 51.30 H new ATOM 0 HG3 GLN A 89 17.120 9.756 -3.699 1.00 51.30 H new ATOM 0 HE21 GLN A 89 18.616 10.650 -4.982 1.00 14.31 H new ATOM 0 HE22 GLN A 89 20.001 11.598 -4.429 1.00 14.31 H new ATOM 1327 N ILE A 90 13.868 12.534 -2.973 1.00 35.41 N ATOM 1328 CA ILE A 90 12.665 12.449 -3.793 1.00 1.45 C ATOM 1329 C ILE A 90 12.179 11.009 -3.909 1.00 31.31 C ATOM 1330 O ILE A 90 12.535 10.297 -4.848 1.00 61.14 O ATOM 1331 CB ILE A 90 12.906 13.014 -5.205 1.00 70.31 C ATOM 1332 CG1 ILE A 90 14.034 14.047 -5.180 1.00 0.14 C ATOM 1333 CG2 ILE A 90 11.628 13.630 -5.754 1.00 40.02 C ATOM 1334 CD1 ILE A 90 14.374 14.604 -6.544 1.00 50.32 C ATOM 0 H ILE A 90 13.837 13.254 -2.251 1.00 35.41 H new ATOM 0 HA ILE A 90 11.901 13.048 -3.296 1.00 1.45 H new ATOM 0 HB ILE A 90 13.203 12.196 -5.861 1.00 70.31 H new ATOM 0 HG12 ILE A 90 13.749 14.868 -4.522 1.00 0.14 H new ATOM 0 HG13 ILE A 90 14.925 13.589 -4.751 1.00 0.14 H new ATOM 0 HG21 ILE A 90 11.814 14.025 -6.753 1.00 40.02 H new ATOM 0 HG22 ILE A 90 10.850 12.869 -5.804 1.00 40.02 H new ATOM 0 HG23 ILE A 90 11.303 14.438 -5.099 1.00 40.02 H new ATOM 0 HD11 ILE A 90 15.182 15.330 -6.450 1.00 50.32 H new ATOM 0 HD12 ILE A 90 14.690 13.793 -7.200 1.00 50.32 H new ATOM 0 HD13 ILE A 90 13.496 15.091 -6.967 1.00 50.32 H new ATOM 1346 N ILE A 91 11.362 10.586 -2.950 1.00 4.45 N ATOM 1347 CA ILE A 91 10.825 9.232 -2.946 1.00 72.42 C ATOM 1348 C ILE A 91 9.300 9.245 -2.968 1.00 1.12 C ATOM 1349 O ILE A 91 8.660 9.748 -2.043 1.00 75.35 O ATOM 1350 CB ILE A 91 11.303 8.439 -1.715 1.00 14.31 C ATOM 1351 CG1 ILE A 91 11.201 9.302 -0.455 1.00 40.04 C ATOM 1352 CG2 ILE A 91 12.730 7.955 -1.918 1.00 64.01 C ATOM 1353 CD1 ILE A 91 11.531 8.554 0.817 1.00 1.24 C ATOM 0 H ILE A 91 11.058 11.163 -2.166 1.00 4.45 H new ATOM 0 HA ILE A 91 11.195 8.744 -3.848 1.00 72.42 H new ATOM 0 HB ILE A 91 10.660 7.568 -1.590 1.00 14.31 H new ATOM 0 HG12 ILE A 91 11.875 10.153 -0.552 1.00 40.04 H new ATOM 0 HG13 ILE A 91 10.190 9.703 -0.380 1.00 40.04 H new ATOM 0 HG21 ILE A 91 13.053 7.396 -1.040 1.00 64.01 H new ATOM 0 HG22 ILE A 91 12.774 7.309 -2.795 1.00 64.01 H new ATOM 0 HG23 ILE A 91 13.387 8.812 -2.065 1.00 64.01 H new ATOM 0 HD11 ILE A 91 11.438 9.227 1.669 1.00 1.24 H new ATOM 0 HD12 ILE A 91 10.841 7.719 0.937 1.00 1.24 H new ATOM 0 HD13 ILE A 91 12.552 8.176 0.763 1.00 1.24 H new ATOM 1365 N LEU A 92 8.724 8.688 -4.027 1.00 41.45 N ATOM 1366 CA LEU A 92 7.273 8.634 -4.169 1.00 42.14 C ATOM 1367 C LEU A 92 6.623 8.079 -2.906 1.00 71.13 C ATOM 1368 O LEU A 92 7.301 7.544 -2.028 1.00 44.35 O ATOM 1369 CB LEU A 92 6.891 7.773 -5.374 1.00 72.14 C ATOM 1370 CG LEU A 92 7.387 8.264 -6.735 1.00 24.32 C ATOM 1371 CD1 LEU A 92 7.747 7.087 -7.628 1.00 60.32 C ATOM 1372 CD2 LEU A 92 6.337 9.140 -7.401 1.00 41.24 C ATOM 0 H LEU A 92 9.239 8.267 -4.800 1.00 41.45 H new ATOM 0 HA LEU A 92 6.909 9.650 -4.326 1.00 42.14 H new ATOM 0 HB2 LEU A 92 7.275 6.766 -5.212 1.00 72.14 H new ATOM 0 HB3 LEU A 92 5.804 7.698 -5.411 1.00 72.14 H new ATOM 0 HG LEU A 92 8.284 8.863 -6.579 1.00 24.32 H new ATOM 0 HD11 LEU A 92 8.098 7.456 -8.592 1.00 60.32 H new ATOM 0 HD12 LEU A 92 8.534 6.499 -7.156 1.00 60.32 H new ATOM 0 HD13 LEU A 92 6.867 6.461 -7.777 1.00 60.32 H new ATOM 0 HD21 LEU A 92 6.707 9.480 -8.368 1.00 41.24 H new ATOM 0 HD22 LEU A 92 5.422 8.566 -7.544 1.00 41.24 H new ATOM 0 HD23 LEU A 92 6.129 10.003 -6.768 1.00 41.24 H new ATOM 1384 N THR A 93 5.302 8.207 -2.821 1.00 43.22 N ATOM 1385 CA THR A 93 4.560 7.718 -1.667 1.00 33.23 C ATOM 1386 C THR A 93 3.107 7.430 -2.029 1.00 63.40 C ATOM 1387 O THR A 93 2.593 7.935 -3.027 1.00 64.33 O ATOM 1388 CB THR A 93 4.596 8.729 -0.505 1.00 42.03 C ATOM 1389 OG1 THR A 93 3.494 8.499 0.379 1.00 0.13 O ATOM 1390 CG2 THR A 93 4.544 10.156 -1.029 1.00 13.42 C ATOM 0 H THR A 93 4.725 8.646 -3.539 1.00 43.22 H new ATOM 0 HA THR A 93 5.043 6.794 -1.350 1.00 33.23 H new ATOM 0 HB THR A 93 5.531 8.592 0.039 1.00 42.03 H new ATOM 0 HG1 THR A 93 3.758 7.858 1.071 1.00 0.13 H new ATOM 0 HG21 THR A 93 4.571 10.853 -0.191 1.00 13.42 H new ATOM 0 HG22 THR A 93 5.401 10.337 -1.678 1.00 13.42 H new ATOM 0 HG23 THR A 93 3.623 10.303 -1.594 1.00 13.42 H new ATOM 1398 N LYS A 94 2.449 6.615 -1.212 1.00 20.24 N ATOM 1399 CA LYS A 94 1.054 6.260 -1.444 1.00 50.11 C ATOM 1400 C LYS A 94 0.170 7.503 -1.445 1.00 75.11 C ATOM 1401 O LYS A 94 -0.954 7.475 -1.946 1.00 42.14 O ATOM 1402 CB LYS A 94 0.571 5.278 -0.374 1.00 52.24 C ATOM 1403 CG LYS A 94 -0.918 5.374 -0.089 1.00 2.15 C ATOM 1404 CD LYS A 94 -1.417 4.164 0.683 1.00 5.04 C ATOM 1405 CE LYS A 94 -2.705 4.472 1.431 1.00 2.01 C ATOM 1406 NZ LYS A 94 -3.901 3.951 0.713 1.00 21.54 N ATOM 0 H LYS A 94 2.860 6.187 -0.382 1.00 20.24 H new ATOM 0 HA LYS A 94 0.984 5.785 -2.422 1.00 50.11 H new ATOM 0 HB2 LYS A 94 0.807 4.262 -0.692 1.00 52.24 H new ATOM 0 HB3 LYS A 94 1.122 5.459 0.549 1.00 52.24 H new ATOM 0 HG2 LYS A 94 -1.123 6.280 0.481 1.00 2.15 H new ATOM 0 HG3 LYS A 94 -1.465 5.458 -1.028 1.00 2.15 H new ATOM 0 HD2 LYS A 94 -1.584 3.336 -0.005 1.00 5.04 H new ATOM 0 HD3 LYS A 94 -0.653 3.842 1.390 1.00 5.04 H new ATOM 0 HE2 LYS A 94 -2.660 4.033 2.428 1.00 2.01 H new ATOM 0 HE3 LYS A 94 -2.801 5.550 1.561 1.00 2.01 H new ATOM 0 HZ1 LYS A 94 -4.759 4.181 1.255 1.00 21.54 H new ATOM 0 HZ2 LYS A 94 -3.959 4.389 -0.229 1.00 21.54 H new ATOM 0 HZ3 LYS A 94 -3.822 2.919 0.611 1.00 21.54 H new ATOM 1420 N GLU A 95 0.685 8.591 -0.882 1.00 0.11 N ATOM 1421 CA GLU A 95 -0.059 9.844 -0.819 1.00 72.53 C ATOM 1422 C GLU A 95 -0.532 10.265 -2.207 1.00 54.25 C ATOM 1423 O GLU A 95 -1.516 10.993 -2.346 1.00 52.30 O ATOM 1424 CB GLU A 95 0.806 10.947 -0.207 1.00 21.34 C ATOM 1425 CG GLU A 95 0.768 10.977 1.312 1.00 2.11 C ATOM 1426 CD GLU A 95 -0.419 11.752 1.851 1.00 43.14 C ATOM 1427 OE1 GLU A 95 -1.566 11.381 1.525 1.00 41.01 O ATOM 1428 OE2 GLU A 95 -0.201 12.729 2.597 1.00 2.11 O ATOM 0 H GLU A 95 1.614 8.631 -0.463 1.00 0.11 H new ATOM 0 HA GLU A 95 -0.933 9.686 -0.188 1.00 72.53 H new ATOM 0 HB2 GLU A 95 1.837 10.812 -0.534 1.00 21.34 H new ATOM 0 HB3 GLU A 95 0.474 11.912 -0.590 1.00 21.34 H new ATOM 0 HG2 GLU A 95 0.733 9.956 1.691 1.00 2.11 H new ATOM 0 HG3 GLU A 95 1.689 11.424 1.686 1.00 2.11 H new ATOM 1435 N LEU A 96 0.175 9.803 -3.233 1.00 0.34 N ATOM 1436 CA LEU A 96 -0.171 10.132 -4.611 1.00 51.11 C ATOM 1437 C LEU A 96 -1.049 9.047 -5.226 1.00 33.13 C ATOM 1438 O LEU A 96 -1.129 8.916 -6.447 1.00 44.43 O ATOM 1439 CB LEU A 96 1.097 10.312 -5.447 1.00 62.11 C ATOM 1440 CG LEU A 96 2.056 11.409 -4.984 1.00 42.33 C ATOM 1441 CD1 LEU A 96 3.122 10.834 -4.065 1.00 21.33 C ATOM 1442 CD2 LEU A 96 2.697 12.098 -6.181 1.00 34.51 C ATOM 0 H LEU A 96 0.991 9.199 -3.136 1.00 0.34 H new ATOM 0 HA LEU A 96 -0.731 11.067 -4.605 1.00 51.11 H new ATOM 0 HB2 LEU A 96 1.638 9.366 -5.459 1.00 62.11 H new ATOM 0 HB3 LEU A 96 0.803 10.524 -6.475 1.00 62.11 H new ATOM 0 HG LEU A 96 1.485 12.151 -4.425 1.00 42.33 H new ATOM 0 HD11 LEU A 96 3.795 11.630 -3.746 1.00 21.33 H new ATOM 0 HD12 LEU A 96 2.647 10.388 -3.191 1.00 21.33 H new ATOM 0 HD13 LEU A 96 3.689 10.071 -4.598 1.00 21.33 H new ATOM 0 HD21 LEU A 96 3.376 12.876 -5.832 1.00 34.51 H new ATOM 0 HD22 LEU A 96 3.253 11.366 -6.767 1.00 34.51 H new ATOM 0 HD23 LEU A 96 1.921 12.546 -6.802 1.00 34.51 H new ATOM 1454 N ASP A 97 -1.709 8.272 -4.371 1.00 45.32 N ATOM 1455 CA ASP A 97 -2.584 7.200 -4.830 1.00 13.31 C ATOM 1456 C ASP A 97 -3.730 7.756 -5.670 1.00 42.30 C ATOM 1457 O ASP A 97 -4.546 8.538 -5.185 1.00 11.42 O ATOM 1458 CB ASP A 97 -3.141 6.422 -3.637 1.00 13.12 C ATOM 1459 CG ASP A 97 -4.397 5.648 -3.986 1.00 32.01 C ATOM 1460 OD1 ASP A 97 -4.421 5.009 -5.058 1.00 62.22 O ATOM 1461 OD2 ASP A 97 -5.357 5.682 -3.187 1.00 41.01 O ATOM 0 H ASP A 97 -1.654 8.367 -3.357 1.00 45.32 H new ATOM 0 HA ASP A 97 -1.996 6.525 -5.452 1.00 13.31 H new ATOM 0 HB2 ASP A 97 -2.382 5.731 -3.271 1.00 13.12 H new ATOM 0 HB3 ASP A 97 -3.359 7.115 -2.825 1.00 13.12 H new ATOM 1466 N GLY A 98 -3.783 7.347 -6.934 1.00 41.31 N ATOM 1467 CA GLY A 98 -4.831 7.815 -7.822 1.00 11.52 C ATOM 1468 C GLY A 98 -4.574 9.219 -8.333 1.00 10.22 C ATOM 1469 O GLY A 98 -5.443 9.830 -8.957 1.00 62.42 O ATOM 0 H GLY A 98 -3.119 6.700 -7.359 1.00 41.31 H new ATOM 0 HA2 GLY A 98 -4.917 7.134 -8.668 1.00 11.52 H new ATOM 0 HA3 GLY A 98 -5.786 7.792 -7.296 1.00 11.52 H new ATOM 1473 N LEU A 99 -3.379 9.734 -8.067 1.00 3.12 N ATOM 1474 CA LEU A 99 -3.010 11.076 -8.503 1.00 3.42 C ATOM 1475 C LEU A 99 -1.928 11.022 -9.577 1.00 75.14 C ATOM 1476 O LEU A 99 -1.109 10.103 -9.601 1.00 42.01 O ATOM 1477 CB LEU A 99 -2.521 11.904 -7.313 1.00 2.11 C ATOM 1478 CG LEU A 99 -3.605 12.595 -6.485 1.00 71.21 C ATOM 1479 CD1 LEU A 99 -4.380 13.586 -7.340 1.00 63.53 C ATOM 1480 CD2 LEU A 99 -4.545 11.566 -5.873 1.00 52.52 C ATOM 0 H LEU A 99 -2.649 9.243 -7.551 1.00 3.12 H new ATOM 0 HA LEU A 99 -3.895 11.549 -8.928 1.00 3.42 H new ATOM 0 HB2 LEU A 99 -1.948 11.252 -6.653 1.00 2.11 H new ATOM 0 HB3 LEU A 99 -1.834 12.665 -7.683 1.00 2.11 H new ATOM 0 HG LEU A 99 -3.123 13.144 -5.676 1.00 71.21 H new ATOM 0 HD11 LEU A 99 -5.147 14.068 -6.734 1.00 63.53 H new ATOM 0 HD12 LEU A 99 -3.698 14.342 -7.730 1.00 63.53 H new ATOM 0 HD13 LEU A 99 -4.851 13.060 -8.170 1.00 63.53 H new ATOM 0 HD21 LEU A 99 -5.310 12.075 -5.287 1.00 52.52 H new ATOM 0 HD22 LEU A 99 -5.020 10.989 -6.667 1.00 52.52 H new ATOM 0 HD23 LEU A 99 -3.979 10.896 -5.226 1.00 52.52 H new ATOM 1492 N CYS A 100 -1.932 12.012 -10.463 1.00 24.01 N ATOM 1493 CA CYS A 100 -0.950 12.078 -11.540 1.00 22.23 C ATOM 1494 C CYS A 100 0.133 13.105 -11.226 1.00 51.32 C ATOM 1495 O CYS A 100 -0.163 14.249 -10.879 1.00 72.32 O ATOM 1496 CB CYS A 100 -1.635 12.428 -12.862 1.00 24.34 C ATOM 1497 SG CYS A 100 -2.558 13.982 -12.826 1.00 20.21 S ATOM 0 H CYS A 100 -2.604 12.780 -10.457 1.00 24.01 H new ATOM 0 HA CYS A 100 -0.480 11.099 -11.631 1.00 22.23 H new ATOM 0 HB2 CYS A 100 -0.880 12.484 -13.646 1.00 24.34 H new ATOM 0 HB3 CYS A 100 -2.315 11.620 -13.132 1.00 24.34 H new ATOM 0 HG CYS A 100 -2.025 14.783 -11.952 1.00 20.21 H new ATOM 1503 N VAL A 101 1.390 12.690 -11.349 1.00 75.53 N ATOM 1504 CA VAL A 101 2.517 13.573 -11.079 1.00 1.34 C ATOM 1505 C VAL A 101 3.693 13.261 -11.998 1.00 12.43 C ATOM 1506 O VAL A 101 3.708 12.233 -12.676 1.00 11.54 O ATOM 1507 CB VAL A 101 2.980 13.460 -9.614 1.00 64.41 C ATOM 1508 CG1 VAL A 101 1.880 13.916 -8.669 1.00 35.33 C ATOM 1509 CG2 VAL A 101 3.407 12.034 -9.300 1.00 25.20 C ATOM 0 H VAL A 101 1.653 11.747 -11.634 1.00 75.53 H new ATOM 0 HA VAL A 101 2.174 14.590 -11.266 1.00 1.34 H new ATOM 0 HB VAL A 101 3.841 14.113 -9.472 1.00 64.41 H new ATOM 0 HG11 VAL A 101 2.226 13.829 -7.639 1.00 35.33 H new ATOM 0 HG12 VAL A 101 1.627 14.955 -8.880 1.00 35.33 H new ATOM 0 HG13 VAL A 101 0.998 13.292 -8.809 1.00 35.33 H new ATOM 0 HG21 VAL A 101 3.731 11.972 -8.261 1.00 25.20 H new ATOM 0 HG22 VAL A 101 2.566 11.359 -9.459 1.00 25.20 H new ATOM 0 HG23 VAL A 101 4.230 11.748 -9.955 1.00 25.20 H new ATOM 1519 N ILE A 102 4.676 14.155 -12.015 1.00 62.41 N ATOM 1520 CA ILE A 102 5.857 13.974 -12.850 1.00 23.40 C ATOM 1521 C ILE A 102 6.904 13.118 -12.144 1.00 13.10 C ATOM 1522 O ILE A 102 7.059 13.188 -10.924 1.00 35.00 O ATOM 1523 CB ILE A 102 6.489 15.325 -13.233 1.00 13.24 C ATOM 1524 CG1 ILE A 102 5.478 16.189 -13.990 1.00 12.15 C ATOM 1525 CG2 ILE A 102 7.740 15.107 -14.071 1.00 13.15 C ATOM 1526 CD1 ILE A 102 5.035 15.588 -15.305 1.00 52.21 C ATOM 0 H ILE A 102 4.678 15.011 -11.461 1.00 62.41 H new ATOM 0 HA ILE A 102 5.527 13.467 -13.757 1.00 23.40 H new ATOM 0 HB ILE A 102 6.774 15.848 -12.320 1.00 13.24 H new ATOM 0 HG12 ILE A 102 4.603 16.347 -13.359 1.00 12.15 H new ATOM 0 HG13 ILE A 102 5.918 17.169 -14.177 1.00 12.15 H new ATOM 0 HG21 ILE A 102 8.175 16.071 -14.334 1.00 13.15 H new ATOM 0 HG22 ILE A 102 8.464 14.526 -13.500 1.00 13.15 H new ATOM 0 HG23 ILE A 102 7.479 14.567 -14.981 1.00 13.15 H new ATOM 0 HD11 ILE A 102 4.319 16.254 -15.787 1.00 52.21 H new ATOM 0 HD12 ILE A 102 5.900 15.455 -15.954 1.00 52.21 H new ATOM 0 HD13 ILE A 102 4.566 14.621 -15.123 1.00 52.21 H new ATOM 1538 N LEU A 103 7.621 12.312 -12.919 1.00 3.24 N ATOM 1539 CA LEU A 103 8.656 11.443 -12.368 1.00 50.33 C ATOM 1540 C LEU A 103 9.774 12.263 -11.732 1.00 13.21 C ATOM 1541 O LEU A 103 10.024 13.410 -12.102 1.00 54.53 O ATOM 1542 CB LEU A 103 9.229 10.542 -13.464 1.00 10.53 C ATOM 1543 CG LEU A 103 8.228 9.631 -14.175 1.00 42.21 C ATOM 1544 CD1 LEU A 103 7.809 10.235 -15.506 1.00 41.04 C ATOM 1545 CD2 LEU A 103 8.821 8.245 -14.379 1.00 70.43 C ATOM 0 H LEU A 103 7.505 12.242 -13.930 1.00 3.24 H new ATOM 0 HA LEU A 103 8.202 10.822 -11.596 1.00 50.33 H new ATOM 0 HB2 LEU A 103 9.710 11.173 -14.211 1.00 10.53 H new ATOM 0 HB3 LEU A 103 10.008 9.919 -13.024 1.00 10.53 H new ATOM 0 HG LEU A 103 7.342 9.536 -13.548 1.00 42.21 H new ATOM 0 HD11 LEU A 103 7.096 9.573 -15.998 1.00 41.04 H new ATOM 0 HD12 LEU A 103 7.344 11.206 -15.335 1.00 41.04 H new ATOM 0 HD13 LEU A 103 8.686 10.360 -16.141 1.00 41.04 H new ATOM 0 HD21 LEU A 103 8.095 7.610 -14.886 1.00 70.43 H new ATOM 0 HD22 LEU A 103 9.723 8.321 -14.986 1.00 70.43 H new ATOM 0 HD23 LEU A 103 9.070 7.810 -13.411 1.00 70.43 H new ATOM 1557 N PRO A 104 10.465 11.662 -10.752 1.00 71.12 N ATOM 1558 CA PRO A 104 11.569 12.317 -10.045 1.00 45.15 C ATOM 1559 C PRO A 104 12.797 12.501 -10.932 1.00 14.32 C ATOM 1560 O PRO A 104 13.392 13.579 -10.970 1.00 70.34 O ATOM 1561 CB PRO A 104 11.879 11.352 -8.898 1.00 55.21 C ATOM 1562 CG PRO A 104 11.415 10.023 -9.386 1.00 14.15 C ATOM 1563 CD PRO A 104 10.222 10.296 -10.259 1.00 74.23 C ATOM 0 HA PRO A 104 11.303 13.321 -9.715 1.00 45.15 H new ATOM 0 HB2 PRO A 104 12.944 11.339 -8.668 1.00 55.21 H new ATOM 0 HB3 PRO A 104 11.359 11.642 -7.985 1.00 55.21 H new ATOM 0 HG2 PRO A 104 12.201 9.517 -9.946 1.00 14.15 H new ATOM 0 HG3 PRO A 104 11.148 9.373 -8.553 1.00 14.15 H new ATOM 0 HD2 PRO A 104 10.151 9.580 -11.078 1.00 74.23 H new ATOM 0 HD3 PRO A 104 9.290 10.231 -9.697 1.00 74.23 H new ATOM 1571 N THR A 105 13.171 11.443 -11.644 1.00 72.01 N ATOM 1572 CA THR A 105 14.327 11.488 -12.530 1.00 24.23 C ATOM 1573 C THR A 105 14.151 10.542 -13.712 1.00 44.44 C ATOM 1574 O THR A 105 13.874 9.357 -13.534 1.00 72.04 O ATOM 1575 CB THR A 105 15.623 11.120 -11.781 1.00 75.03 C ATOM 1576 OG1 THR A 105 15.539 11.548 -10.417 1.00 53.24 O ATOM 1577 CG2 THR A 105 16.832 11.760 -12.446 1.00 10.22 C ATOM 0 H THR A 105 12.690 10.544 -11.624 1.00 72.01 H new ATOM 0 HA THR A 105 14.405 12.512 -12.896 1.00 24.23 H new ATOM 0 HB THR A 105 15.741 10.037 -11.814 1.00 75.03 H new ATOM 0 HG1 THR A 105 16.366 11.309 -9.948 1.00 53.24 H new ATOM 0 HG21 THR A 105 17.735 11.486 -11.900 1.00 10.22 H new ATOM 0 HG22 THR A 105 16.910 11.409 -13.475 1.00 10.22 H new ATOM 0 HG23 THR A 105 16.719 12.844 -12.440 1.00 10.22 H new ATOM 1585 N GLU A 106 14.315 11.075 -14.919 1.00 64.14 N ATOM 1586 CA GLU A 106 14.174 10.277 -16.131 1.00 60.44 C ATOM 1587 C GLU A 106 15.501 9.628 -16.513 1.00 63.34 C ATOM 1588 O GLU A 106 16.351 10.252 -17.151 1.00 34.34 O ATOM 1589 CB GLU A 106 13.668 11.145 -17.285 1.00 12.32 C ATOM 1590 CG GLU A 106 12.424 11.948 -16.942 1.00 4.43 C ATOM 1591 CD GLU A 106 12.054 12.942 -18.025 1.00 45.44 C ATOM 1592 OE1 GLU A 106 12.939 13.715 -18.449 1.00 53.43 O ATOM 1593 OE2 GLU A 106 10.880 12.947 -18.450 1.00 32.34 O ATOM 0 H GLU A 106 14.545 12.055 -15.083 1.00 64.14 H new ATOM 0 HA GLU A 106 13.447 9.489 -15.933 1.00 60.44 H new ATOM 0 HB2 GLU A 106 14.460 11.830 -17.588 1.00 12.32 H new ATOM 0 HB3 GLU A 106 13.453 10.506 -18.142 1.00 12.32 H new ATOM 0 HG2 GLU A 106 11.589 11.266 -16.780 1.00 4.43 H new ATOM 0 HG3 GLU A 106 12.587 12.481 -16.005 1.00 4.43 H new