USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 41 SER OG : rot 83:sc= 1.27 USER MOD Single : A 42 LYS NZ :NH3+ 151:sc= 1.29 (180deg=1.2) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.06 K(o=1.1,f=-0.94) USER MOD Single : A 50 SER OG : rot 75:sc= 0.754 USER MOD Single : A 51 HIS : no HD1:sc= 0.948 K(o=0.95,f=-4.6!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.31 X(o=0.31,f=-0.022) USER MOD Single : A 61 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 64 TYR OH : rot 50:sc= -0.193 USER MOD Single : A 66 SER OG : rot 66:sc= 0.147 USER MOD Single : A 68 THR OG1 : rot -164:sc= 0.59 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.824! C(o=-0.82!,f=-10!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.0639 USER MOD Single : A 85 TYR OH : rot 150:sc= 0 USER MOD Single : A 88 SER OG : rot 86:sc= 1.29 USER MOD Single : A 105 CYS SG : rot 74:sc= -1.32! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 35 2.793 -7.673 0.099 1.00 0.00 N ATOM 45 CA LEU A 35 3.322 -9.027 -0.110 1.00 0.00 C ATOM 46 C LEU A 35 2.232 -9.829 -0.833 1.00 0.00 C ATOM 47 O LEU A 35 1.079 -9.412 -0.809 1.00 0.00 O ATOM 48 CB LEU A 35 3.691 -9.700 1.234 1.00 0.00 C ATOM 49 CG LEU A 35 5.018 -9.270 1.898 1.00 0.00 C ATOM 50 CD1 LEU A 35 6.235 -9.553 1.009 1.00 0.00 C ATOM 51 CD2 LEU A 35 5.032 -7.801 2.341 1.00 0.00 C ATOM 0 HA LEU A 35 4.236 -8.988 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.883 -9.510 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.727 -10.778 1.074 1.00 0.00 H new ATOM 0 HG LEU A 35 5.088 -9.885 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.142 -9.233 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.293 -10.621 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.136 -9.006 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.993 -7.568 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.877 -7.158 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.235 -7.632 3.065 1.00 0.00 H new ATOM 63 N GLU A 36 2.539 -10.984 -1.430 1.00 0.00 N ATOM 64 CA GLU A 36 1.555 -11.693 -2.258 1.00 0.00 C ATOM 65 C GLU A 36 0.319 -12.053 -1.443 1.00 0.00 C ATOM 66 O GLU A 36 -0.799 -11.745 -1.850 1.00 0.00 O ATOM 67 CB GLU A 36 2.180 -12.931 -2.927 1.00 0.00 C ATOM 68 CG GLU A 36 1.188 -13.676 -3.833 1.00 0.00 C ATOM 69 CD GLU A 36 1.895 -14.789 -4.624 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.395 -14.517 -5.742 1.00 0.00 O ATOM 71 OE2 GLU A 36 1.956 -15.944 -4.138 1.00 0.00 O ATOM 0 H GLU A 36 3.447 -11.444 -1.359 1.00 0.00 H new ATOM 0 HA GLU A 36 1.237 -11.023 -3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.044 -12.624 -3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.544 -13.611 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.389 -14.105 -3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.722 -12.973 -4.524 1.00 0.00 H new ATOM 78 N ALA A 37 0.514 -12.654 -0.268 1.00 0.00 N ATOM 79 CA ALA A 37 -0.613 -13.134 0.528 1.00 0.00 C ATOM 80 C ALA A 37 -1.395 -11.953 1.116 1.00 0.00 C ATOM 81 O ALA A 37 -2.619 -12.013 1.219 1.00 0.00 O ATOM 82 CB ALA A 37 -0.161 -14.104 1.620 1.00 0.00 C ATOM 0 H ALA A 37 1.431 -12.818 0.148 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.279 -13.689 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.027 -14.439 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.327 -14.965 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.540 -13.601 2.286 1.00 0.00 H new ATOM 88 N ASP A 38 -0.698 -10.870 1.463 1.00 0.00 N ATOM 89 CA ASP A 38 -1.316 -9.647 1.963 1.00 0.00 C ATOM 90 C ASP A 38 -2.141 -8.968 0.864 1.00 0.00 C ATOM 91 O ASP A 38 -3.275 -8.556 1.114 1.00 0.00 O ATOM 92 CB ASP A 38 -0.215 -8.711 2.472 1.00 0.00 C ATOM 93 CG ASP A 38 -0.778 -7.431 3.107 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.656 -7.530 3.995 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.337 -6.323 2.726 1.00 0.00 O ATOM 0 H ASP A 38 0.319 -10.819 1.403 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.995 -9.889 2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.395 -9.238 3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.441 -8.444 1.644 1.00 0.00 H new ATOM 100 N LEU A 39 -1.622 -8.943 -0.370 1.00 0.00 N ATOM 101 CA LEU A 39 -2.272 -8.355 -1.532 1.00 0.00 C ATOM 102 C LEU A 39 -3.588 -9.047 -1.790 1.00 0.00 C ATOM 103 O LEU A 39 -4.629 -8.390 -1.863 1.00 0.00 O ATOM 104 CB LEU A 39 -1.367 -8.439 -2.779 1.00 0.00 C ATOM 105 CG LEU A 39 -1.988 -7.842 -4.069 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.894 -7.190 -4.925 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.718 -8.874 -4.938 1.00 0.00 C ATOM 0 H LEU A 39 -0.710 -9.346 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.457 -7.301 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.432 -7.921 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.118 -9.484 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.723 -7.112 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.339 -6.774 -5.829 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.414 -6.393 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.151 -7.939 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.125 -8.383 -5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.018 -9.651 -5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.530 -9.323 -4.366 1.00 0.00 H new ATOM 119 N VAL A 40 -3.540 -10.369 -1.930 1.00 0.00 N ATOM 120 CA VAL A 40 -4.717 -11.121 -2.305 1.00 0.00 C ATOM 121 C VAL A 40 -5.746 -11.027 -1.177 1.00 0.00 C ATOM 122 O VAL A 40 -6.915 -10.808 -1.473 1.00 0.00 O ATOM 123 CB VAL A 40 -4.331 -12.553 -2.736 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.359 -12.486 -3.931 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.721 -13.375 -1.600 1.00 0.00 C ATOM 0 H VAL A 40 -2.701 -10.932 -1.789 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.197 -10.696 -3.186 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.249 -13.063 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.086 -13.497 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.841 -11.974 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.462 -11.940 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.471 -14.371 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.817 -12.883 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.439 -13.457 -0.784 1.00 0.00 H new ATOM 135 N SER A 41 -5.324 -11.074 0.094 1.00 0.00 N ATOM 136 CA SER A 41 -6.237 -10.972 1.229 1.00 0.00 C ATOM 137 C SER A 41 -6.918 -9.598 1.286 1.00 0.00 C ATOM 138 O SER A 41 -8.140 -9.537 1.408 1.00 0.00 O ATOM 139 CB SER A 41 -5.508 -11.280 2.546 1.00 0.00 C ATOM 140 OG SER A 41 -4.927 -12.576 2.517 1.00 0.00 O ATOM 0 H SER A 41 -4.345 -11.183 0.358 1.00 0.00 H new ATOM 0 HA SER A 41 -7.020 -11.718 1.089 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.732 -10.534 2.719 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.209 -11.211 3.378 1.00 0.00 H new ATOM 0 HG SER A 41 -4.060 -12.536 2.063 1.00 0.00 H new ATOM 146 N LYS A 42 -6.175 -8.491 1.158 1.00 0.00 N ATOM 147 CA LYS A 42 -6.761 -7.149 1.212 1.00 0.00 C ATOM 148 C LYS A 42 -7.669 -6.912 0.012 1.00 0.00 C ATOM 149 O LYS A 42 -8.765 -6.393 0.196 1.00 0.00 O ATOM 150 CB LYS A 42 -5.653 -6.084 1.288 1.00 0.00 C ATOM 151 CG LYS A 42 -5.115 -5.955 2.723 1.00 0.00 C ATOM 152 CD LYS A 42 -3.947 -4.959 2.782 1.00 0.00 C ATOM 153 CE LYS A 42 -3.601 -4.480 4.198 1.00 0.00 C ATOM 154 NZ LYS A 42 -3.255 -5.590 5.126 1.00 0.00 N ATOM 0 H LYS A 42 -5.165 -8.501 1.016 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.370 -7.070 2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.840 -6.350 0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.043 -5.123 0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.914 -5.625 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.785 -6.930 3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.065 -5.424 2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.191 -4.093 2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.763 -3.786 4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.448 -3.927 4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.593 -5.244 5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.119 -5.939 5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.811 -6.364 4.591 1.00 0.00 H new ATOM 168 N MET A 43 -7.278 -7.308 -1.198 1.00 0.00 N ATOM 169 CA MET A 43 -8.124 -7.107 -2.373 1.00 0.00 C ATOM 170 C MET A 43 -9.367 -7.997 -2.312 1.00 0.00 C ATOM 171 O MET A 43 -10.465 -7.491 -2.532 1.00 0.00 O ATOM 172 CB MET A 43 -7.316 -7.290 -3.663 1.00 0.00 C ATOM 173 CG MET A 43 -6.297 -6.149 -3.827 1.00 0.00 C ATOM 174 SD MET A 43 -5.526 -6.031 -5.465 1.00 0.00 S ATOM 175 CE MET A 43 -4.435 -4.605 -5.227 1.00 0.00 C ATOM 0 H MET A 43 -6.387 -7.767 -1.390 1.00 0.00 H new ATOM 0 HA MET A 43 -8.484 -6.078 -2.376 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.797 -8.248 -3.641 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.989 -7.311 -4.521 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.795 -5.204 -3.609 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.512 -6.275 -3.082 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.890 -4.406 -6.150 1.00 0.00 H new ATOM 0 HE2 MET A 43 -5.031 -3.732 -4.962 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.727 -4.818 -4.426 1.00 0.00 H new ATOM 185 N LEU A 44 -9.240 -9.268 -1.919 1.00 0.00 N ATOM 186 CA LEU A 44 -10.368 -10.158 -1.615 1.00 0.00 C ATOM 187 C LEU A 44 -11.347 -9.451 -0.685 1.00 0.00 C ATOM 188 O LEU A 44 -12.518 -9.273 -1.007 1.00 0.00 O ATOM 189 CB LEU A 44 -9.809 -11.440 -0.958 1.00 0.00 C ATOM 190 CG LEU A 44 -10.846 -12.377 -0.323 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.654 -13.064 -1.415 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.156 -13.421 0.552 1.00 0.00 C ATOM 0 H LEU A 44 -8.332 -9.718 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.904 -10.422 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.256 -12.000 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.093 -11.148 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.516 -11.788 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.389 -13.728 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.166 -12.313 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.986 -13.644 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.905 -14.077 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.471 -14.011 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.598 -12.921 1.344 1.00 0.00 H new ATOM 204 N ARG A 45 -10.837 -9.013 0.464 1.00 0.00 N ATOM 205 CA ARG A 45 -11.584 -8.287 1.475 1.00 0.00 C ATOM 206 C ARG A 45 -12.274 -7.074 0.877 1.00 0.00 C ATOM 207 O ARG A 45 -13.452 -6.872 1.143 1.00 0.00 O ATOM 208 CB ARG A 45 -10.591 -7.969 2.602 1.00 0.00 C ATOM 209 CG ARG A 45 -11.016 -6.892 3.599 1.00 0.00 C ATOM 210 CD ARG A 45 -10.527 -5.480 3.236 1.00 0.00 C ATOM 211 NE ARG A 45 -10.441 -4.697 4.470 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.627 -3.388 4.658 1.00 0.00 C ATOM 213 NH1 ARG A 45 -10.661 -2.536 3.637 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.782 -2.966 5.905 1.00 0.00 N ATOM 0 H ARG A 45 -9.861 -9.161 0.720 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.404 -8.874 1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.396 -8.888 3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.648 -7.663 2.150 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.104 -6.883 3.667 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.637 -7.155 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.554 -5.528 2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.214 -5.008 2.533 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.205 -5.228 5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.544 -2.878 2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.805 -1.541 3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.757 -3.633 6.676 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.927 -1.974 6.093 1.00 0.00 H new ATOM 228 N ALA A 46 -11.588 -6.277 0.063 1.00 0.00 N ATOM 229 CA ALA A 46 -12.169 -5.048 -0.451 1.00 0.00 C ATOM 230 C ALA A 46 -13.319 -5.337 -1.416 1.00 0.00 C ATOM 231 O ALA A 46 -14.344 -4.659 -1.346 1.00 0.00 O ATOM 232 CB ALA A 46 -11.085 -4.198 -1.125 1.00 0.00 C ATOM 0 H ALA A 46 -10.635 -6.461 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.583 -4.487 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.529 -3.279 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.311 -3.952 -0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.644 -4.758 -1.949 1.00 0.00 H new ATOM 238 N VAL A 47 -13.201 -6.357 -2.269 1.00 0.00 N ATOM 239 CA VAL A 47 -14.309 -6.762 -3.133 1.00 0.00 C ATOM 240 C VAL A 47 -15.486 -7.184 -2.250 1.00 0.00 C ATOM 241 O VAL A 47 -16.609 -6.741 -2.470 1.00 0.00 O ATOM 242 CB VAL A 47 -13.854 -7.883 -4.089 1.00 0.00 C ATOM 243 CG1 VAL A 47 -14.998 -8.424 -4.952 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.773 -7.357 -5.044 1.00 0.00 C ATOM 0 H VAL A 47 -12.354 -6.914 -2.379 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.634 -5.932 -3.760 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.476 -8.685 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.620 -9.210 -5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.778 -8.830 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.411 -7.617 -5.557 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.459 -8.157 -5.714 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.176 -6.530 -5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.916 -7.010 -4.467 1.00 0.00 H new ATOM 254 N LEU A 48 -15.241 -7.970 -1.202 1.00 0.00 N ATOM 255 CA LEU A 48 -16.298 -8.451 -0.318 1.00 0.00 C ATOM 256 C LEU A 48 -16.970 -7.300 0.446 1.00 0.00 C ATOM 257 O LEU A 48 -18.182 -7.321 0.634 1.00 0.00 O ATOM 258 CB LEU A 48 -15.710 -9.469 0.669 1.00 0.00 C ATOM 259 CG LEU A 48 -15.206 -10.750 -0.011 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.222 -11.431 0.930 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.356 -11.704 -0.304 1.00 0.00 C ATOM 0 H LEU A 48 -14.307 -8.289 -0.944 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.065 -8.927 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.886 -9.005 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.469 -9.731 1.406 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.730 -10.489 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.850 -12.345 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.387 -10.760 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.724 -11.676 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.970 -12.602 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.850 -11.976 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.073 -11.217 -0.965 1.00 0.00 H new ATOM 273 N GLN A 49 -16.205 -6.298 0.895 1.00 0.00 N ATOM 274 CA GLN A 49 -16.746 -5.118 1.565 1.00 0.00 C ATOM 275 C GLN A 49 -17.607 -4.301 0.591 1.00 0.00 C ATOM 276 O GLN A 49 -18.638 -3.761 0.996 1.00 0.00 O ATOM 277 CB GLN A 49 -15.606 -4.251 2.141 1.00 0.00 C ATOM 278 CG GLN A 49 -14.931 -4.823 3.406 1.00 0.00 C ATOM 279 CD GLN A 49 -15.815 -4.824 4.662 1.00 0.00 C ATOM 280 OE1 GLN A 49 -16.952 -4.356 4.668 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.316 -5.359 5.767 1.00 0.00 N ATOM 0 H GLN A 49 -15.189 -6.286 0.802 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.376 -5.446 2.392 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.847 -4.117 1.371 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.003 -3.263 2.374 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.614 -5.846 3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.030 -4.245 3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.373 -5.748 5.765 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.875 -5.382 6.620 1.00 0.00 H new ATOM 290 N SER A 50 -17.216 -4.227 -0.687 1.00 0.00 N ATOM 291 CA SER A 50 -18.013 -3.574 -1.722 1.00 0.00 C ATOM 292 C SER A 50 -19.298 -4.365 -2.025 1.00 0.00 C ATOM 293 O SER A 50 -20.344 -3.768 -2.303 1.00 0.00 O ATOM 294 CB SER A 50 -17.179 -3.430 -3.003 1.00 0.00 C ATOM 295 OG SER A 50 -15.965 -2.726 -2.757 1.00 0.00 O ATOM 0 H SER A 50 -16.338 -4.619 -1.028 1.00 0.00 H new ATOM 0 HA SER A 50 -18.302 -2.589 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.953 -4.418 -3.405 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.760 -2.903 -3.760 1.00 0.00 H new ATOM 0 HG SER A 50 -15.336 -3.313 -2.288 1.00 0.00 H new ATOM 301 N HIS A 51 -19.244 -5.695 -1.914 1.00 0.00 N ATOM 302 CA HIS A 51 -20.288 -6.607 -2.366 1.00 0.00 C ATOM 303 C HIS A 51 -20.971 -7.247 -1.153 1.00 0.00 C ATOM 304 O HIS A 51 -20.897 -8.459 -0.949 1.00 0.00 O ATOM 305 CB HIS A 51 -19.692 -7.643 -3.333 1.00 0.00 C ATOM 306 CG HIS A 51 -19.161 -7.084 -4.638 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.955 -5.738 -4.968 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.805 -7.851 -5.704 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.465 -5.740 -6.220 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.380 -6.993 -6.693 1.00 0.00 N ATOM 0 H HIS A 51 -18.449 -6.177 -1.495 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.055 -6.063 -2.917 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.882 -8.165 -2.825 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.457 -8.385 -3.560 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.848 -8.929 -5.763 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.179 -4.855 -6.769 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -18.057 -7.262 -7.622 1.00 0.00 H new ATOM 318 N LYS A 52 -21.645 -6.437 -0.328 1.00 0.00 N ATOM 319 CA LYS A 52 -22.303 -6.887 0.912 1.00 0.00 C ATOM 320 C LYS A 52 -23.381 -7.946 0.699 1.00 0.00 C ATOM 321 O LYS A 52 -23.655 -8.725 1.610 1.00 0.00 O ATOM 322 CB LYS A 52 -22.946 -5.695 1.631 1.00 0.00 C ATOM 323 CG LYS A 52 -21.950 -4.728 2.289 1.00 0.00 C ATOM 324 CD LYS A 52 -21.112 -5.393 3.393 1.00 0.00 C ATOM 325 CE LYS A 52 -20.199 -4.403 4.137 1.00 0.00 C ATOM 326 NZ LYS A 52 -20.944 -3.453 5.008 1.00 0.00 N ATOM 0 H LYS A 52 -21.752 -5.438 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.511 -7.340 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.551 -5.140 0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.624 -6.073 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.283 -4.326 1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.496 -3.885 2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.780 -5.871 4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.501 -6.181 2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.489 -4.962 4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.618 -3.838 3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.272 -2.815 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -21.603 -2.895 4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -21.478 -3.985 5.725 1.00 0.00 H new ATOM 340 N ASN A 53 -23.963 -8.003 -0.502 1.00 0.00 N ATOM 341 CA ASN A 53 -24.862 -9.080 -0.916 1.00 0.00 C ATOM 342 C ASN A 53 -24.209 -10.465 -0.803 1.00 0.00 C ATOM 343 O ASN A 53 -24.914 -11.471 -0.696 1.00 0.00 O ATOM 344 CB ASN A 53 -25.305 -8.794 -2.361 1.00 0.00 C ATOM 345 CG ASN A 53 -26.060 -9.960 -2.991 1.00 0.00 C ATOM 346 OD1 ASN A 53 -27.279 -10.062 -2.883 1.00 0.00 O ATOM 347 ND2 ASN A 53 -25.352 -10.854 -3.661 1.00 0.00 N ATOM 0 H ASN A 53 -23.821 -7.294 -1.221 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.723 -9.103 -0.248 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -25.940 -7.908 -2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.428 -8.566 -2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -25.818 -11.648 -4.101 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -24.340 -10.750 -3.738 1.00 0.00 H new ATOM 354 N GLY A 54 -22.876 -10.519 -0.806 1.00 0.00 N ATOM 355 CA GLY A 54 -22.098 -11.731 -0.892 1.00 0.00 C ATOM 356 C GLY A 54 -21.892 -12.114 -2.349 1.00 0.00 C ATOM 357 O GLY A 54 -22.550 -11.585 -3.250 1.00 0.00 O ATOM 0 H GLY A 54 -22.298 -9.681 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.133 -11.589 -0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.606 -12.538 -0.364 1.00 0.00 H new ATOM 361 N ILE A 55 -20.959 -13.034 -2.581 1.00 0.00 N ATOM 362 CA ILE A 55 -20.578 -13.505 -3.908 1.00 0.00 C ATOM 363 C ILE A 55 -20.313 -14.996 -3.783 1.00 0.00 C ATOM 364 O ILE A 55 -19.552 -15.413 -2.919 1.00 0.00 O ATOM 365 CB ILE A 55 -19.369 -12.694 -4.466 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.360 -12.180 -3.400 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.857 -11.490 -5.283 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.246 -11.264 -3.946 1.00 0.00 C ATOM 0 H ILE A 55 -20.434 -13.484 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.371 -13.346 -4.638 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.831 -13.413 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.911 -11.638 -2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.898 -13.040 -2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -18.999 -10.937 -5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.463 -11.839 -6.119 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.456 -10.838 -4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.594 -10.958 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.663 -11.805 -4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.693 -10.381 -4.404 1.00 0.00 H new ATOM 380 N VAL A 56 -20.994 -15.804 -4.593 1.00 0.00 N ATOM 381 CA VAL A 56 -20.834 -17.260 -4.632 1.00 0.00 C ATOM 382 C VAL A 56 -19.403 -17.610 -5.033 1.00 0.00 C ATOM 383 O VAL A 56 -18.831 -16.872 -5.823 1.00 0.00 O ATOM 384 CB VAL A 56 -21.891 -17.866 -5.583 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.299 -17.745 -4.987 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.872 -17.244 -6.992 1.00 0.00 C ATOM 0 H VAL A 56 -21.688 -15.459 -5.256 1.00 0.00 H new ATOM 0 HA VAL A 56 -21.001 -17.692 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.624 -18.917 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -24.024 -18.179 -5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.339 -18.277 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.536 -16.694 -4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.638 -17.715 -7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.070 -16.175 -6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.894 -17.402 -7.446 1.00 0.00 H new ATOM 396 N LEU A 57 -18.814 -18.715 -4.570 1.00 0.00 N ATOM 397 CA LEU A 57 -17.390 -19.028 -4.820 1.00 0.00 C ATOM 398 C LEU A 57 -16.863 -18.861 -6.272 1.00 0.00 C ATOM 399 O LEU A 57 -15.736 -18.379 -6.396 1.00 0.00 O ATOM 400 CB LEU A 57 -16.915 -20.340 -4.149 1.00 0.00 C ATOM 401 CG LEU A 57 -17.286 -21.670 -4.844 1.00 0.00 C ATOM 402 CD1 LEU A 57 -16.533 -22.830 -4.185 1.00 0.00 C ATOM 403 CD2 LEU A 57 -18.781 -22.010 -4.805 1.00 0.00 C ATOM 0 H LEU A 57 -19.300 -19.419 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.897 -18.205 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.830 -20.298 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.318 -20.365 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.005 -21.533 -5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.799 -23.764 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.459 -22.665 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.804 -22.888 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -18.952 -22.958 -5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -19.109 -22.091 -3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -19.346 -21.223 -5.304 1.00 0.00 H new ATOM 415 N PRO A 58 -17.585 -19.153 -7.383 1.00 0.00 N ATOM 416 CA PRO A 58 -17.064 -18.828 -8.717 1.00 0.00 C ATOM 417 C PRO A 58 -17.150 -17.321 -9.019 1.00 0.00 C ATOM 418 O PRO A 58 -16.226 -16.738 -9.585 1.00 0.00 O ATOM 419 CB PRO A 58 -17.899 -19.662 -9.697 1.00 0.00 C ATOM 420 CG PRO A 58 -19.235 -19.844 -8.977 1.00 0.00 C ATOM 421 CD PRO A 58 -18.815 -19.924 -7.510 1.00 0.00 C ATOM 0 HA PRO A 58 -16.003 -19.066 -8.798 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.025 -19.150 -10.651 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.426 -20.621 -9.910 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.911 -19.009 -9.160 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.750 -20.748 -9.301 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.593 -19.520 -6.862 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.655 -20.959 -7.209 1.00 0.00 H new ATOM 429 N ARG A 59 -18.230 -16.660 -8.589 1.00 0.00 N ATOM 430 CA ARG A 59 -18.387 -15.205 -8.697 1.00 0.00 C ATOM 431 C ARG A 59 -17.341 -14.499 -7.843 1.00 0.00 C ATOM 432 O ARG A 59 -16.879 -13.426 -8.218 1.00 0.00 O ATOM 433 CB ARG A 59 -19.827 -14.829 -8.301 1.00 0.00 C ATOM 434 CG ARG A 59 -20.178 -13.384 -8.678 1.00 0.00 C ATOM 435 CD ARG A 59 -21.651 -13.054 -8.407 1.00 0.00 C ATOM 436 NE ARG A 59 -21.967 -11.687 -8.864 1.00 0.00 N ATOM 437 CZ ARG A 59 -22.469 -11.330 -10.057 1.00 0.00 C ATOM 438 NH1 ARG A 59 -22.710 -12.235 -11.004 1.00 0.00 N ATOM 439 NH2 ARG A 59 -22.733 -10.051 -10.303 1.00 0.00 N ATOM 0 H ARG A 59 -19.027 -17.124 -8.152 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.224 -14.878 -9.724 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.525 -15.509 -8.790 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.952 -14.962 -7.226 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.545 -12.699 -8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.960 -13.223 -9.734 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -22.291 -13.772 -8.920 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.860 -13.145 -7.341 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.784 -10.932 -8.203 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -22.513 -13.220 -10.830 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -23.092 -11.943 -11.904 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.554 -9.347 -9.587 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -23.114 -9.774 -11.207 1.00 0.00 H new ATOM 453 N LEU A 60 -16.944 -15.109 -6.720 1.00 0.00 N ATOM 454 CA LEU A 60 -15.872 -14.625 -5.869 1.00 0.00 C ATOM 455 C LEU A 60 -14.623 -14.508 -6.730 1.00 0.00 C ATOM 456 O LEU A 60 -14.087 -13.411 -6.808 1.00 0.00 O ATOM 457 CB LEU A 60 -15.664 -15.541 -4.633 1.00 0.00 C ATOM 458 CG LEU A 60 -14.595 -15.108 -3.608 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.155 -15.378 -4.064 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.753 -13.640 -3.217 1.00 0.00 C ATOM 0 H LEU A 60 -17.373 -15.969 -6.378 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.122 -13.647 -5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.617 -15.627 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.405 -16.538 -4.991 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.771 -15.734 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.461 -15.047 -3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.023 -16.446 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.957 -14.833 -4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.983 -13.371 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.652 -13.014 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.737 -13.485 -2.774 1.00 0.00 H new ATOM 472 N GLN A 61 -14.198 -15.584 -7.415 1.00 0.00 N ATOM 473 CA GLN A 61 -13.030 -15.534 -8.303 1.00 0.00 C ATOM 474 C GLN A 61 -13.175 -14.420 -9.338 1.00 0.00 C ATOM 475 O GLN A 61 -12.217 -13.683 -9.541 1.00 0.00 O ATOM 476 CB GLN A 61 -12.782 -16.866 -9.042 1.00 0.00 C ATOM 477 CG GLN A 61 -11.980 -17.896 -8.236 1.00 0.00 C ATOM 478 CD GLN A 61 -11.587 -19.105 -9.102 1.00 0.00 C ATOM 479 OE1 GLN A 61 -12.421 -19.943 -9.430 1.00 0.00 O ATOM 480 NE2 GLN A 61 -10.317 -19.229 -9.497 1.00 0.00 N ATOM 0 H GLN A 61 -14.648 -16.498 -7.369 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.175 -15.337 -7.657 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.744 -17.302 -9.312 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.253 -16.659 -9.972 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.082 -17.427 -7.835 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.571 -18.233 -7.384 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.627 -18.530 -9.222 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.037 -20.023 -10.074 1.00 0.00 H new ATOM 489 N GLY A 62 -14.340 -14.294 -9.977 1.00 0.00 N ATOM 490 CA GLY A 62 -14.554 -13.304 -11.022 1.00 0.00 C ATOM 491 C GLY A 62 -14.321 -11.886 -10.502 1.00 0.00 C ATOM 492 O GLY A 62 -13.483 -11.166 -11.039 1.00 0.00 O ATOM 0 H GLY A 62 -15.155 -14.875 -9.782 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.881 -13.502 -11.857 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.571 -13.390 -11.405 1.00 0.00 H new ATOM 496 N GLU A 63 -15.025 -11.492 -9.440 1.00 0.00 N ATOM 497 CA GLU A 63 -14.976 -10.118 -8.946 1.00 0.00 C ATOM 498 C GLU A 63 -13.626 -9.822 -8.276 1.00 0.00 C ATOM 499 O GLU A 63 -13.040 -8.749 -8.475 1.00 0.00 O ATOM 500 CB GLU A 63 -16.142 -9.885 -7.977 1.00 0.00 C ATOM 501 CG GLU A 63 -17.518 -9.971 -8.654 1.00 0.00 C ATOM 502 CD GLU A 63 -17.691 -8.875 -9.722 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.733 -7.677 -9.351 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.786 -9.201 -10.929 1.00 0.00 O ATOM 0 H GLU A 63 -15.637 -12.108 -8.905 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.074 -9.431 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.092 -10.622 -7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.032 -8.904 -7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.637 -10.952 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.301 -9.875 -7.902 1.00 0.00 H new ATOM 511 N TYR A 64 -13.098 -10.804 -7.531 1.00 0.00 N ATOM 512 CA TYR A 64 -11.739 -10.779 -7.005 1.00 0.00 C ATOM 513 C TYR A 64 -10.774 -10.431 -8.133 1.00 0.00 C ATOM 514 O TYR A 64 -10.017 -9.466 -8.014 1.00 0.00 O ATOM 515 CB TYR A 64 -11.409 -12.141 -6.383 1.00 0.00 C ATOM 516 CG TYR A 64 -9.946 -12.386 -6.121 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.156 -12.948 -7.136 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.373 -12.058 -4.882 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.795 -13.162 -6.919 1.00 0.00 C ATOM 520 CE2 TYR A 64 -8.011 -12.301 -4.649 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.216 -12.857 -5.675 1.00 0.00 C ATOM 522 OH TYR A 64 -5.896 -13.099 -5.483 1.00 0.00 O ATOM 0 H TYR A 64 -13.615 -11.646 -7.278 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.645 -10.021 -6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.951 -12.234 -5.442 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.780 -12.924 -7.044 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.601 -13.214 -8.083 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.982 -11.618 -4.106 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.182 -13.565 -7.712 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.573 -12.064 -3.691 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.382 -12.714 -6.223 1.00 0.00 H new ATOM 532 N ARG A 65 -10.841 -11.172 -9.246 1.00 0.00 N ATOM 533 CA ARG A 65 -9.931 -11.006 -10.362 1.00 0.00 C ATOM 534 C ARG A 65 -10.116 -9.642 -11.013 1.00 0.00 C ATOM 535 O ARG A 65 -9.117 -9.049 -11.425 1.00 0.00 O ATOM 536 CB ARG A 65 -10.112 -12.154 -11.356 1.00 0.00 C ATOM 537 CG ARG A 65 -9.143 -11.988 -12.534 1.00 0.00 C ATOM 538 CD ARG A 65 -8.905 -13.321 -13.231 1.00 0.00 C ATOM 539 NE ARG A 65 -7.716 -13.253 -14.084 1.00 0.00 N ATOM 540 CZ ARG A 65 -7.664 -13.237 -15.423 1.00 0.00 C ATOM 541 NH1 ARG A 65 -8.780 -13.269 -16.150 1.00 0.00 N ATOM 542 NH2 ARG A 65 -6.485 -13.190 -16.039 1.00 0.00 N ATOM 0 H ARG A 65 -11.536 -11.905 -9.388 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.904 -11.042 -9.998 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.933 -13.107 -10.859 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.139 -12.172 -11.720 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.548 -11.268 -13.245 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.195 -11.585 -12.177 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.781 -14.109 -12.488 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.776 -13.584 -13.832 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.819 -13.213 -13.600 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.689 -13.306 -15.688 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.726 -13.256 -17.168 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.624 -13.166 -15.492 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.442 -13.178 -17.058 1.00 0.00 H new ATOM 556 N SER A 66 -11.339 -9.116 -11.101 1.00 0.00 N ATOM 557 CA SER A 66 -11.550 -7.765 -11.605 1.00 0.00 C ATOM 558 C SER A 66 -10.737 -6.749 -10.791 1.00 0.00 C ATOM 559 O SER A 66 -10.211 -5.801 -11.381 1.00 0.00 O ATOM 560 CB SER A 66 -13.039 -7.402 -11.609 1.00 0.00 C ATOM 561 OG SER A 66 -13.781 -8.321 -12.398 1.00 0.00 O ATOM 0 H SER A 66 -12.192 -9.605 -10.830 1.00 0.00 H new ATOM 0 HA SER A 66 -11.199 -7.732 -12.636 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.420 -7.402 -10.588 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.171 -6.393 -11.999 1.00 0.00 H new ATOM 0 HG SER A 66 -13.751 -9.208 -11.982 1.00 0.00 H new ATOM 567 N LEU A 67 -10.581 -6.940 -9.468 1.00 0.00 N ATOM 568 CA LEU A 67 -9.723 -6.053 -8.678 1.00 0.00 C ATOM 569 C LEU A 67 -8.226 -6.408 -8.792 1.00 0.00 C ATOM 570 O LEU A 67 -7.420 -5.513 -9.067 1.00 0.00 O ATOM 571 CB LEU A 67 -10.176 -6.004 -7.207 1.00 0.00 C ATOM 572 CG LEU A 67 -9.387 -4.970 -6.366 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.431 -3.541 -6.932 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.957 -4.915 -4.946 1.00 0.00 C ATOM 0 H LEU A 67 -11.030 -7.686 -8.937 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.836 -5.055 -9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.238 -5.762 -7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.057 -6.992 -6.763 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.351 -5.309 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.856 -2.876 -6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.004 -3.534 -7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.465 -3.199 -6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.399 -4.186 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.006 -4.622 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.872 -5.897 -4.482 1.00 0.00 H new ATOM 586 N THR A 68 -7.824 -7.666 -8.578 1.00 0.00 N ATOM 587 CA THR A 68 -6.407 -8.043 -8.463 1.00 0.00 C ATOM 588 C THR A 68 -5.689 -8.133 -9.808 1.00 0.00 C ATOM 589 O THR A 68 -4.489 -7.861 -9.886 1.00 0.00 O ATOM 590 CB THR A 68 -6.292 -9.427 -7.808 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.177 -10.314 -8.467 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.628 -9.399 -6.323 1.00 0.00 C ATOM 0 H THR A 68 -8.468 -8.451 -8.480 1.00 0.00 H new ATOM 0 HA THR A 68 -5.940 -7.257 -7.869 1.00 0.00 H new ATOM 0 HB THR A 68 -5.257 -9.757 -7.901 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.303 -11.117 -7.920 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.531 -10.403 -5.909 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.943 -8.726 -5.808 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.651 -9.048 -6.188 1.00 0.00 H new ATOM 600 N GLY A 69 -6.410 -8.524 -10.861 1.00 0.00 N ATOM 601 CA GLY A 69 -5.825 -8.893 -12.137 1.00 0.00 C ATOM 602 C GLY A 69 -5.225 -10.305 -12.055 1.00 0.00 C ATOM 603 O GLY A 69 -4.362 -10.636 -12.872 1.00 0.00 O ATOM 0 H GLY A 69 -7.428 -8.592 -10.844 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.585 -8.857 -12.918 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.051 -8.176 -12.412 1.00 0.00 H new ATOM 607 N ASP A 70 -5.640 -11.135 -11.082 1.00 0.00 N ATOM 608 CA ASP A 70 -5.093 -12.477 -10.830 1.00 0.00 C ATOM 609 C ASP A 70 -6.227 -13.427 -10.449 1.00 0.00 C ATOM 610 O ASP A 70 -7.314 -12.979 -10.084 1.00 0.00 O ATOM 611 CB ASP A 70 -4.055 -12.426 -9.691 1.00 0.00 C ATOM 612 CG ASP A 70 -3.178 -13.693 -9.601 1.00 0.00 C ATOM 613 OD1 ASP A 70 -3.164 -14.527 -10.541 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.477 -13.851 -8.571 1.00 0.00 O ATOM 0 H ASP A 70 -6.385 -10.883 -10.433 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.604 -12.836 -11.736 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.412 -11.558 -9.835 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.574 -12.285 -8.743 1.00 0.00 H new ATOM 619 N TRP A 71 -6.005 -14.736 -10.507 1.00 0.00 N ATOM 620 CA TRP A 71 -6.911 -15.736 -9.968 1.00 0.00 C ATOM 621 C TRP A 71 -6.604 -15.924 -8.480 1.00 0.00 C ATOM 622 O TRP A 71 -5.495 -15.626 -8.023 1.00 0.00 O ATOM 623 CB TRP A 71 -6.729 -17.064 -10.718 1.00 0.00 C ATOM 624 CG TRP A 71 -7.141 -17.026 -12.156 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.332 -17.248 -13.213 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.459 -16.748 -12.726 1.00 0.00 C ATOM 627 NE1 TRP A 71 -7.047 -17.134 -14.387 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.364 -16.809 -14.149 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.714 -16.406 -12.181 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.464 -16.555 -14.985 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.808 -16.110 -13.011 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.695 -16.194 -14.409 1.00 0.00 C ATOM 0 H TRP A 71 -5.172 -15.136 -10.939 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.943 -15.408 -10.091 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.681 -17.358 -10.661 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.305 -17.836 -10.208 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.279 -17.481 -13.149 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.650 -17.273 -15.316 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.836 -16.371 -11.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.365 -16.636 -16.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.748 -15.814 -12.569 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.548 -15.983 -15.037 1.00 0.00 H new ATOM 643 N ILE A 72 -7.582 -16.429 -7.718 1.00 0.00 N ATOM 644 CA ILE A 72 -7.393 -16.778 -6.306 1.00 0.00 C ATOM 645 C ILE A 72 -6.208 -17.760 -6.244 1.00 0.00 C ATOM 646 O ILE A 72 -6.232 -18.765 -6.965 1.00 0.00 O ATOM 647 CB ILE A 72 -8.691 -17.400 -5.740 1.00 0.00 C ATOM 648 CG1 ILE A 72 -9.825 -16.359 -5.593 1.00 0.00 C ATOM 649 CG2 ILE A 72 -8.451 -18.157 -4.421 1.00 0.00 C ATOM 650 CD1 ILE A 72 -9.754 -15.482 -4.345 1.00 0.00 C ATOM 0 H ILE A 72 -8.525 -16.607 -8.063 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.175 -15.901 -5.697 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.020 -18.133 -6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.818 -15.713 -6.471 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.780 -16.885 -5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.393 -18.575 -4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.737 -18.963 -4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.054 -17.470 -3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.595 -14.788 -4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.797 -16.111 -3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.820 -14.920 -4.348 1.00 0.00 H new ATOM 662 N PRO A 73 -5.197 -17.532 -5.389 1.00 0.00 N ATOM 663 CA PRO A 73 -4.017 -18.382 -5.311 1.00 0.00 C ATOM 664 C PRO A 73 -4.266 -19.587 -4.385 1.00 0.00 C ATOM 665 O PRO A 73 -3.411 -19.895 -3.562 1.00 0.00 O ATOM 666 CB PRO A 73 -2.907 -17.441 -4.830 1.00 0.00 C ATOM 667 CG PRO A 73 -3.667 -16.562 -3.848 1.00 0.00 C ATOM 668 CD PRO A 73 -5.011 -16.361 -4.540 1.00 0.00 C ATOM 0 HA PRO A 73 -3.744 -18.840 -6.262 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.089 -17.980 -4.352 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.474 -16.865 -5.647 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.781 -17.045 -2.878 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.156 -15.615 -3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.817 -16.274 -3.812 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.014 -15.445 -5.131 1.00 0.00 H new ATOM 676 N PHE A 74 -5.440 -20.232 -4.431 1.00 0.00 N ATOM 677 CA PHE A 74 -5.818 -21.270 -3.465 1.00 0.00 C ATOM 678 C PHE A 74 -4.804 -22.409 -3.475 1.00 0.00 C ATOM 679 O PHE A 74 -4.067 -22.600 -2.510 1.00 0.00 O ATOM 680 CB PHE A 74 -7.267 -21.761 -3.671 1.00 0.00 C ATOM 681 CG PHE A 74 -7.573 -22.498 -4.964 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.749 -21.807 -6.177 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.683 -23.901 -4.946 1.00 0.00 C ATOM 684 CE1 PHE A 74 -8.042 -22.511 -7.358 1.00 0.00 C ATOM 685 CE2 PHE A 74 -7.995 -24.604 -6.124 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.174 -23.910 -7.331 1.00 0.00 C ATOM 0 H PHE A 74 -6.152 -20.049 -5.138 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.798 -20.824 -2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.523 -22.417 -2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.928 -20.897 -3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.659 -20.731 -6.201 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.527 -24.441 -4.023 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.166 -21.976 -8.288 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.097 -25.679 -6.100 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.412 -24.449 -8.236 1.00 0.00 H new ATOM 696 N LYS A 75 -4.693 -23.130 -4.586 1.00 0.00 N ATOM 697 CA LYS A 75 -3.832 -24.302 -4.706 1.00 0.00 C ATOM 698 C LYS A 75 -2.362 -23.891 -4.809 1.00 0.00 C ATOM 699 O LYS A 75 -1.472 -24.669 -4.484 1.00 0.00 O ATOM 700 CB LYS A 75 -4.342 -25.082 -5.925 1.00 0.00 C ATOM 701 CG LYS A 75 -3.720 -26.466 -6.168 1.00 0.00 C ATOM 702 CD LYS A 75 -3.783 -27.420 -4.961 1.00 0.00 C ATOM 703 CE LYS A 75 -3.241 -28.800 -5.372 1.00 0.00 C ATOM 704 NZ LYS A 75 -3.251 -29.773 -4.249 1.00 0.00 N ATOM 0 H LYS A 75 -5.206 -22.914 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.876 -24.940 -3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.420 -25.207 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.174 -24.473 -6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.228 -26.935 -7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.677 -26.335 -6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.197 -27.018 -4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.810 -27.511 -4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.840 -29.192 -6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.222 -28.690 -5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.877 -30.686 -4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.658 -29.414 -3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.225 -29.901 -3.909 1.00 0.00 H new ATOM 718 N GLN A 76 -2.124 -22.642 -5.208 1.00 0.00 N ATOM 719 CA GLN A 76 -0.825 -22.017 -5.342 1.00 0.00 C ATOM 720 C GLN A 76 -0.237 -21.757 -3.936 1.00 0.00 C ATOM 721 O GLN A 76 0.952 -21.998 -3.716 1.00 0.00 O ATOM 722 CB GLN A 76 -0.981 -20.727 -6.180 1.00 0.00 C ATOM 723 CG GLN A 76 -1.629 -20.914 -7.584 1.00 0.00 C ATOM 724 CD GLN A 76 -3.164 -20.784 -7.635 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.886 -21.326 -6.804 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.734 -20.062 -8.587 1.00 0.00 N ATOM 0 H GLN A 76 -2.883 -22.009 -5.459 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.123 -22.666 -5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.583 -20.017 -5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.004 -20.278 -6.310 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.198 -20.179 -8.264 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.353 -21.898 -7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.158 -19.600 -9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.749 -19.967 -8.617 1.00 0.00 H new ATOM 735 N LEU A 77 -1.063 -21.318 -2.973 1.00 0.00 N ATOM 736 CA LEU A 77 -0.703 -21.184 -1.558 1.00 0.00 C ATOM 737 C LEU A 77 -0.790 -22.538 -0.839 1.00 0.00 C ATOM 738 O LEU A 77 -0.075 -22.738 0.144 1.00 0.00 O ATOM 739 CB LEU A 77 -1.592 -20.138 -0.858 1.00 0.00 C ATOM 740 CG LEU A 77 -1.338 -18.676 -1.288 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.364 -17.737 -0.640 1.00 0.00 C ATOM 742 CD2 LEU A 77 0.068 -18.172 -0.928 1.00 0.00 C ATOM 0 H LEU A 77 -2.025 -21.040 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 77 0.330 -20.838 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.636 -20.382 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.441 -20.216 0.219 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.433 -18.669 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.169 -16.712 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.368 -18.026 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.285 -17.805 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.180 -17.139 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.208 -18.225 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.815 -18.793 -1.422 1.00 0.00 H new ATOM 754 N GLY A 78 -1.608 -23.478 -1.334 1.00 0.00 N ATOM 755 CA GLY A 78 -1.651 -24.862 -0.871 1.00 0.00 C ATOM 756 C GLY A 78 -2.986 -25.272 -0.246 1.00 0.00 C ATOM 757 O GLY A 78 -3.081 -26.358 0.329 1.00 0.00 O ATOM 0 H GLY A 78 -2.271 -23.287 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.438 -25.522 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.858 -25.013 -0.139 1.00 0.00 H new ATOM 761 N TYR A 79 -4.023 -24.441 -0.371 1.00 0.00 N ATOM 762 CA TYR A 79 -5.385 -24.770 0.031 1.00 0.00 C ATOM 763 C TYR A 79 -5.973 -25.650 -1.072 1.00 0.00 C ATOM 764 O TYR A 79 -5.760 -25.343 -2.247 1.00 0.00 O ATOM 765 CB TYR A 79 -6.206 -23.484 0.161 1.00 0.00 C ATOM 766 CG TYR A 79 -5.553 -22.491 1.091 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.665 -22.661 2.477 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.825 -21.406 0.570 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.030 -21.765 3.346 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.192 -20.501 1.436 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.285 -20.676 2.834 1.00 0.00 C ATOM 772 OH TYR A 79 -3.654 -19.796 3.665 1.00 0.00 O ATOM 0 H TYR A 79 -3.934 -23.503 -0.762 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.399 -25.286 0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.331 -23.032 -0.823 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.203 -23.725 0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.241 -23.483 2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.753 -21.269 -0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.109 -21.906 4.414 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.633 -19.670 1.033 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.192 -19.116 3.131 1.00 0.00 H new ATOM 782 N PRO A 80 -6.724 -26.716 -0.760 1.00 0.00 N ATOM 783 CA PRO A 80 -7.144 -27.652 -1.790 1.00 0.00 C ATOM 784 C PRO A 80 -8.167 -27.059 -2.764 1.00 0.00 C ATOM 785 O PRO A 80 -8.203 -27.481 -3.921 1.00 0.00 O ATOM 786 CB PRO A 80 -7.704 -28.865 -1.033 1.00 0.00 C ATOM 787 CG PRO A 80 -8.142 -28.277 0.312 1.00 0.00 C ATOM 788 CD PRO A 80 -7.064 -27.220 0.561 1.00 0.00 C ATOM 0 HA PRO A 80 -6.304 -27.924 -2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.541 -29.318 -1.564 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.950 -29.641 -0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.139 -27.839 0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.165 -29.031 1.099 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.434 -26.422 1.205 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.194 -27.652 1.056 1.00 0.00 H new ATOM 796 N THR A 81 -8.985 -26.097 -2.323 1.00 0.00 N ATOM 797 CA THR A 81 -10.130 -25.604 -3.071 1.00 0.00 C ATOM 798 C THR A 81 -10.329 -24.114 -2.793 1.00 0.00 C ATOM 799 O THR A 81 -9.760 -23.562 -1.845 1.00 0.00 O ATOM 800 CB THR A 81 -11.363 -26.430 -2.652 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.431 -26.436 -1.234 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.300 -27.875 -3.153 1.00 0.00 C ATOM 0 H THR A 81 -8.862 -25.637 -1.421 1.00 0.00 H new ATOM 0 HA THR A 81 -9.972 -25.715 -4.144 1.00 0.00 H new ATOM 0 HB THR A 81 -12.246 -25.971 -3.097 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.109 -27.080 -0.942 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.192 -28.411 -2.830 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.247 -27.881 -4.242 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.415 -28.363 -2.745 1.00 0.00 H new ATOM 810 N LEU A 82 -11.174 -23.461 -3.600 1.00 0.00 N ATOM 811 CA LEU A 82 -11.569 -22.068 -3.387 1.00 0.00 C ATOM 812 C LEU A 82 -12.235 -21.938 -2.028 1.00 0.00 C ATOM 813 O LEU A 82 -11.924 -21.007 -1.292 1.00 0.00 O ATOM 814 CB LEU A 82 -12.559 -21.589 -4.477 1.00 0.00 C ATOM 815 CG LEU A 82 -11.995 -21.269 -5.876 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.879 -20.229 -5.792 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.489 -22.509 -6.621 1.00 0.00 C ATOM 0 H LEU A 82 -11.603 -23.888 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.673 -21.450 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.325 -22.356 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.058 -20.694 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.830 -20.865 -6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.499 -20.022 -6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.270 -19.310 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.071 -20.612 -5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.105 -22.215 -7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.692 -22.980 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.309 -23.215 -6.751 1.00 0.00 H new ATOM 829 N GLU A 83 -13.121 -22.876 -1.681 1.00 0.00 N ATOM 830 CA GLU A 83 -13.769 -22.831 -0.382 1.00 0.00 C ATOM 831 C GLU A 83 -12.704 -22.909 0.704 1.00 0.00 C ATOM 832 O GLU A 83 -12.740 -22.081 1.599 1.00 0.00 O ATOM 833 CB GLU A 83 -14.883 -23.886 -0.238 1.00 0.00 C ATOM 834 CG GLU A 83 -14.413 -25.341 -0.114 1.00 0.00 C ATOM 835 CD GLU A 83 -15.596 -26.307 0.057 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.218 -26.712 -0.954 1.00 0.00 O ATOM 837 OE2 GLU A 83 -15.899 -26.666 1.220 1.00 0.00 O ATOM 0 H GLU A 83 -13.397 -23.659 -2.274 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.292 -21.881 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.479 -23.640 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.543 -23.810 -1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.843 -25.616 -1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.740 -25.435 0.738 1.00 0.00 H new ATOM 844 N ALA A 84 -11.726 -23.818 0.620 1.00 0.00 N ATOM 845 CA ALA A 84 -10.729 -23.986 1.679 1.00 0.00 C ATOM 846 C ALA A 84 -9.891 -22.720 1.872 1.00 0.00 C ATOM 847 O ALA A 84 -9.644 -22.313 3.006 1.00 0.00 O ATOM 848 CB ALA A 84 -9.845 -25.192 1.363 1.00 0.00 C ATOM 0 H ALA A 84 -11.605 -24.449 -0.172 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.250 -24.165 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.103 -25.316 2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.462 -26.089 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.339 -25.033 0.411 1.00 0.00 H new ATOM 854 N TYR A 85 -9.497 -22.064 0.777 1.00 0.00 N ATOM 855 CA TYR A 85 -8.862 -20.750 0.837 1.00 0.00 C ATOM 856 C TYR A 85 -9.756 -19.766 1.605 1.00 0.00 C ATOM 857 O TYR A 85 -9.290 -19.106 2.537 1.00 0.00 O ATOM 858 CB TYR A 85 -8.550 -20.270 -0.584 1.00 0.00 C ATOM 859 CG TYR A 85 -8.148 -18.814 -0.641 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.848 -18.427 -0.270 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.080 -17.845 -1.059 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.469 -17.075 -0.283 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.715 -16.489 -1.068 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.407 -16.096 -0.686 1.00 0.00 C ATOM 865 OH TYR A 85 -7.061 -14.777 -0.708 1.00 0.00 O ATOM 0 H TYR A 85 -9.609 -22.428 -0.169 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.919 -20.813 1.380 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.747 -20.879 -0.999 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.426 -20.424 -1.214 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.132 -19.179 0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.070 -18.143 -1.371 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.471 -16.786 0.012 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.434 -15.741 -1.368 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.570 -14.317 -1.407 1.00 0.00 H new ATOM 875 N LEU A 86 -11.053 -19.697 1.273 1.00 0.00 N ATOM 876 CA LEU A 86 -11.993 -18.785 1.926 1.00 0.00 C ATOM 877 C LEU A 86 -12.262 -19.156 3.400 1.00 0.00 C ATOM 878 O LEU A 86 -12.405 -18.258 4.230 1.00 0.00 O ATOM 879 CB LEU A 86 -13.290 -18.732 1.104 1.00 0.00 C ATOM 880 CG LEU A 86 -13.118 -18.111 -0.294 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.248 -18.581 -1.214 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.100 -16.582 -0.211 1.00 0.00 C ATOM 0 H LEU A 86 -11.476 -20.272 0.545 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.543 -17.793 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.681 -19.744 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.035 -18.159 1.656 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.164 -18.439 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.121 -18.138 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.221 -19.667 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.207 -18.272 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.977 -16.165 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.039 -16.230 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.271 -16.262 0.420 1.00 0.00 H new ATOM 894 N ARG A 87 -12.283 -20.448 3.759 1.00 0.00 N ATOM 895 CA ARG A 87 -12.315 -20.901 5.169 1.00 0.00 C ATOM 896 C ARG A 87 -11.108 -20.349 5.931 1.00 0.00 C ATOM 897 O ARG A 87 -11.235 -20.026 7.109 1.00 0.00 O ATOM 898 CB ARG A 87 -12.276 -22.445 5.331 1.00 0.00 C ATOM 899 CG ARG A 87 -13.589 -23.247 5.265 1.00 0.00 C ATOM 900 CD ARG A 87 -14.097 -23.445 3.836 1.00 0.00 C ATOM 901 NE ARG A 87 -14.982 -24.606 3.615 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.143 -24.936 4.201 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.624 -24.276 5.251 1.00 0.00 N ATOM 904 NH2 ARG A 87 -16.832 -25.961 3.712 1.00 0.00 N ATOM 0 H ARG A 87 -12.278 -21.213 3.084 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.260 -20.530 5.565 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.614 -22.838 4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.809 -22.661 6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.437 -24.222 5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.353 -22.732 5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.631 -22.544 3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.235 -23.540 3.176 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.659 -25.262 2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.106 -23.488 5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.511 -24.558 5.668 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.476 -26.478 2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.717 -26.231 4.140 1.00 0.00 H new ATOM 918 N SER A 88 -9.948 -20.259 5.282 1.00 0.00 N ATOM 919 CA SER A 88 -8.661 -19.965 5.909 1.00 0.00 C ATOM 920 C SER A 88 -8.406 -18.467 6.167 1.00 0.00 C ATOM 921 O SER A 88 -7.277 -18.095 6.498 1.00 0.00 O ATOM 922 CB SER A 88 -7.553 -20.618 5.079 1.00 0.00 C ATOM 923 OG SER A 88 -7.804 -22.018 4.977 1.00 0.00 O ATOM 0 H SER A 88 -9.876 -20.393 4.273 1.00 0.00 H new ATOM 0 HA SER A 88 -8.672 -20.394 6.911 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.515 -20.170 4.086 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.583 -20.444 5.545 1.00 0.00 H new ATOM 0 HG SER A 88 -8.407 -22.188 4.223 1.00 0.00 H new ATOM 929 N VAL A 89 -9.421 -17.599 6.043 1.00 0.00 N ATOM 930 CA VAL A 89 -9.319 -16.159 6.316 1.00 0.00 C ATOM 931 C VAL A 89 -10.452 -15.696 7.271 1.00 0.00 C ATOM 932 O VAL A 89 -11.053 -14.643 7.054 1.00 0.00 O ATOM 933 CB VAL A 89 -9.169 -15.431 4.946 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.270 -15.808 3.940 1.00 0.00 C ATOM 935 CG2 VAL A 89 -9.021 -13.903 5.029 1.00 0.00 C ATOM 0 H VAL A 89 -10.354 -17.885 5.744 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.430 -15.887 6.885 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.216 -15.806 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.110 -15.268 3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.237 -16.881 3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.244 -15.542 4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.923 -13.492 4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.901 -13.478 5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.133 -13.654 5.611 1.00 0.00 H new ATOM 945 N PRO A 90 -10.771 -16.426 8.364 1.00 0.00 N ATOM 946 CA PRO A 90 -11.967 -16.151 9.163 1.00 0.00 C ATOM 947 C PRO A 90 -11.893 -14.834 9.957 1.00 0.00 C ATOM 948 O PRO A 90 -12.925 -14.329 10.403 1.00 0.00 O ATOM 949 CB PRO A 90 -12.119 -17.365 10.083 1.00 0.00 C ATOM 950 CG PRO A 90 -10.676 -17.801 10.327 1.00 0.00 C ATOM 951 CD PRO A 90 -9.987 -17.479 9.001 1.00 0.00 C ATOM 0 HA PRO A 90 -12.833 -16.009 8.517 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.624 -17.104 11.013 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.704 -18.155 9.613 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.226 -17.257 11.158 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.611 -18.862 10.568 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.961 -17.150 9.168 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.939 -18.363 8.366 1.00 0.00 H new ATOM 959 N ALA A 91 -10.689 -14.265 10.138 1.00 0.00 N ATOM 960 CA ALA A 91 -10.504 -13.009 10.863 1.00 0.00 C ATOM 961 C ALA A 91 -10.804 -11.778 9.999 1.00 0.00 C ATOM 962 O ALA A 91 -10.828 -10.666 10.526 1.00 0.00 O ATOM 963 CB ALA A 91 -9.069 -12.945 11.399 1.00 0.00 C ATOM 0 H ALA A 91 -9.821 -14.667 9.784 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.217 -12.992 11.687 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.924 -12.010 11.941 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.894 -13.785 12.071 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.367 -12.994 10.566 1.00 0.00 H new ATOM 969 N VAL A 92 -11.013 -11.948 8.684 1.00 0.00 N ATOM 970 CA VAL A 92 -11.174 -10.836 7.739 1.00 0.00 C ATOM 971 C VAL A 92 -12.351 -11.096 6.785 1.00 0.00 C ATOM 972 O VAL A 92 -12.947 -10.154 6.261 1.00 0.00 O ATOM 973 CB VAL A 92 -9.839 -10.597 6.985 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.868 -9.305 6.158 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.614 -10.512 7.915 1.00 0.00 C ATOM 0 H VAL A 92 -11.075 -12.867 8.246 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.415 -9.924 8.285 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.740 -11.469 6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.913 -9.178 5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.669 -9.363 5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.043 -8.455 6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.716 -10.344 7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.745 -9.687 8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.513 -11.445 8.469 1.00 0.00 H new ATOM 985 N VAL A 93 -12.741 -12.355 6.591 1.00 0.00 N ATOM 986 CA VAL A 93 -13.721 -12.806 5.612 1.00 0.00 C ATOM 987 C VAL A 93 -14.633 -13.818 6.321 1.00 0.00 C ATOM 988 O VAL A 93 -14.309 -14.339 7.387 1.00 0.00 O ATOM 989 CB VAL A 93 -12.940 -13.367 4.397 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.735 -14.211 3.387 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.239 -12.216 3.650 1.00 0.00 C ATOM 0 H VAL A 93 -12.361 -13.125 7.142 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.367 -12.018 5.225 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.233 -14.066 4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.072 -14.541 2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.156 -15.081 3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.541 -13.610 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.691 -12.616 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.985 -11.502 3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.544 -11.715 4.324 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.805 -14.058 5.743 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.889 -14.862 6.307 1.00 0.00 C ATOM 1003 C ARG A 94 -17.515 -15.610 5.143 1.00 0.00 C ATOM 1004 O ARG A 94 -17.427 -15.144 4.010 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.854 -13.908 7.041 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.252 -14.468 7.389 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.042 -13.539 8.326 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.113 -12.150 7.828 1.00 0.00 N ATOM 1009 CZ ARG A 94 -20.417 -11.068 8.562 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -20.975 -11.196 9.763 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -20.154 -9.861 8.078 1.00 0.00 N ATOM 0 H ARG A 94 -16.038 -13.680 4.825 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.566 -15.598 7.044 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.376 -13.586 7.966 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.987 -13.019 6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.818 -14.619 6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.142 -15.445 7.860 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.053 -13.928 8.449 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.577 -13.543 9.312 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.913 -12.000 6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -21.176 -12.124 10.136 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.201 -10.366 10.311 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.725 -9.763 7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.380 -9.031 8.626 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.149 -16.749 5.392 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.762 -17.562 4.352 1.00 0.00 C ATOM 1027 C ILE A 95 -20.050 -18.192 4.893 1.00 0.00 C ATOM 1028 O ILE A 95 -20.171 -18.428 6.096 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.764 -18.625 3.824 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.258 -19.577 4.927 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.564 -17.980 3.102 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.298 -20.651 4.416 1.00 0.00 C ATOM 0 H ILE A 95 -18.252 -17.137 6.330 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.024 -16.933 3.502 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.329 -19.220 3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.758 -18.992 5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.114 -20.061 5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -15.890 -18.760 2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -16.921 -17.396 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.032 -17.327 3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -15.984 -21.283 5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.801 -21.261 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.424 -20.176 3.971 1.00 0.00 H new ATOM 1044 N GLU A 96 -20.991 -18.492 3.993 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.184 -19.274 4.270 1.00 0.00 C ATOM 1046 C GLU A 96 -22.268 -20.350 3.191 1.00 0.00 C ATOM 1047 O GLU A 96 -22.589 -20.056 2.038 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.444 -18.392 4.289 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.471 -17.397 5.458 1.00 0.00 C ATOM 1050 CD GLU A 96 -24.871 -16.772 5.636 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -25.393 -16.130 4.691 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -25.464 -16.925 6.734 1.00 0.00 O ATOM 0 H GLU A 96 -20.935 -18.184 3.022 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.125 -19.728 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.508 -17.841 3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.325 -19.031 4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -23.179 -17.905 6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.739 -16.609 5.283 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.943 -21.595 3.546 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.181 -22.756 2.697 1.00 0.00 C ATOM 1061 C ALA A 97 -23.676 -23.078 2.800 1.00 0.00 C ATOM 1062 O ALA A 97 -24.161 -23.439 3.877 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.313 -23.935 3.156 1.00 0.00 C ATOM 0 H ALA A 97 -21.504 -21.824 4.438 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.912 -22.557 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.500 -24.796 2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.261 -23.658 3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.561 -24.190 4.186 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.430 -22.102 -1.822 1.00 0.00 N ATOM 1138 CA ILE A 103 -20.999 -21.244 -0.725 1.00 0.00 C ATOM 1139 C ILE A 103 -20.983 -19.804 -1.213 1.00 0.00 C ATOM 1140 O ILE A 103 -20.501 -19.532 -2.315 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.675 -21.768 -0.086 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.020 -20.762 0.888 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.637 -22.352 -1.052 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.052 -19.761 0.231 1.00 0.00 C ATOM 0 HA ILE A 103 -21.704 -21.272 0.106 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.031 -22.622 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.807 -20.204 1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.480 -21.319 1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.763 -22.682 -0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.070 -23.201 -1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.340 -21.589 -1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.643 -19.097 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.239 -20.304 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.588 -19.172 -0.514 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.498 -18.901 -0.383 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.509 -17.461 -0.581 1.00 0.00 C ATOM 1158 C VAL A 104 -20.423 -16.892 0.333 1.00 0.00 C ATOM 1159 O VAL A 104 -20.275 -17.342 1.467 1.00 0.00 O ATOM 1160 CB VAL A 104 -22.914 -16.898 -0.239 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.027 -15.428 -0.669 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.056 -17.685 -0.909 1.00 0.00 C ATOM 0 H VAL A 104 -21.943 -19.173 0.494 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.306 -17.184 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.018 -16.994 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.019 -15.052 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.274 -14.837 -0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -22.868 -15.350 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.013 -17.244 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -23.938 -17.646 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -24.026 -18.723 -0.578 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.658 -15.925 -0.161 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.538 -15.317 0.545 1.00 0.00 C ATOM 1174 C CYS A 105 -18.932 -13.900 0.959 1.00 0.00 C ATOM 1175 O CYS A 105 -19.630 -13.233 0.198 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.310 -15.271 -0.383 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.173 -16.765 -1.411 1.00 0.00 S ATOM 0 H CYS A 105 -19.805 -15.532 -1.091 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.289 -15.903 1.430 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.375 -14.394 -1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.407 -15.160 0.217 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.071 -16.729 -2.350 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.416 -13.425 2.094 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.715 -12.126 2.695 1.00 0.00 C ATOM 1185 C TYR A 106 -17.465 -11.561 3.362 1.00 0.00 C ATOM 1186 O TYR A 106 -16.495 -12.283 3.583 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.784 -12.310 3.775 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.139 -12.718 3.262 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -21.976 -11.747 2.681 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.559 -14.056 3.371 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.279 -12.094 2.295 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.850 -14.414 2.955 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.728 -13.428 2.437 1.00 0.00 C ATOM 1194 OH TYR A 106 -25.003 -13.754 2.075 1.00 0.00 O ATOM 0 H TYR A 106 -17.746 -13.962 2.645 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.062 -11.447 1.916 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.438 -13.063 4.484 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.887 -11.376 4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.617 -10.739 2.533 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.891 -14.804 3.773 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.940 -11.342 1.889 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.176 -15.441 3.029 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.154 -14.709 2.234 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.493 -10.281 3.733 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.408 -9.661 4.490 1.00 0.00 C ATOM 1206 C ALA A 107 -16.673 -9.774 5.991 1.00 0.00 C ATOM 1207 O ALA A 107 -17.798 -10.045 6.415 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.285 -8.186 4.098 1.00 0.00 C ATOM 0 H ALA A 107 -18.264 -9.649 3.518 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.477 -10.179 4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.475 -7.725 4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.072 -8.109 3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.220 -7.672 4.319 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.642 -9.480 6.781 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.722 -9.358 8.243 1.00 0.00 C ATOM 1216 C VAL A 108 -14.843 -8.213 8.793 1.00 0.00 C ATOM 1217 O VAL A 108 -15.203 -7.635 9.823 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.425 -10.743 8.885 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.340 -10.776 9.970 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.709 -11.337 9.476 1.00 0.00 C ATOM 0 H VAL A 108 -14.703 -9.315 6.417 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.735 -9.069 8.524 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.033 -11.331 8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.226 -11.795 10.339 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.394 -10.434 9.549 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.629 -10.122 10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.489 -12.307 9.923 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.102 -10.666 10.240 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.450 -11.461 8.686 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.742 -7.847 8.124 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.876 -6.728 8.507 1.00 0.00 C ATOM 1232 C ALA A 109 -12.285 -6.090 7.246 1.00 0.00 C ATOM 1233 O ALA A 109 -12.788 -6.403 6.145 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.769 -7.207 9.462 1.00 0.00 C ATOM 1235 OXT ALA A 109 -11.341 -5.275 7.361 1.00 0.00 O ATOM 0 H ALA A 109 -13.423 -8.331 7.285 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.463 -5.977 9.036 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.135 -6.364 9.736 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.221 -7.629 10.360 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.166 -7.968 8.967 1.00 0.00 H new