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 Set 1.1: A 41 SER OG : rot 88:sc= 0.0964 USER MOD Set 1.2: A 85 TYR OH : rot 150:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.09) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.02 K(o=1,f=-0.9) USER MOD Single : A 50 SER OG : rot 74:sc= 0.048 USER MOD Single : A 51 HIS : no HD1:sc= 0.816 K(o=0.82,f=-4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.762 K(o=0.76,f=-0.0072) USER MOD Single : A 61 GLN : amide:sc= 0.795 K(o=0.8,f=-4.9!) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.192 USER MOD Single : A 66 SER OG : rot 72:sc= 1.01 USER MOD Single : A 68 THR OG1 : rot -161:sc= 0.032 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.24! C(o=-1.2!,f=-10!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.352 USER MOD Single : A 88 SER OG : rot 73:sc= 1.23 USER MOD Single : A 105 CYS SG : rot 74:sc= -1.24 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 35 2.741 -7.668 -0.092 1.00 0.00 N ATOM 45 CA LEU A 35 3.269 -9.023 -0.309 1.00 0.00 C ATOM 46 C LEU A 35 2.197 -9.856 -1.017 1.00 0.00 C ATOM 47 O LEU A 35 1.045 -9.436 -1.057 1.00 0.00 O ATOM 48 CB LEU A 35 3.662 -9.674 1.034 1.00 0.00 C ATOM 49 CG LEU A 35 4.765 -8.938 1.824 1.00 0.00 C ATOM 50 CD1 LEU A 35 5.024 -9.676 3.141 1.00 0.00 C ATOM 51 CD2 LEU A 35 6.077 -8.827 1.036 1.00 0.00 C ATOM 0 HA LEU A 35 4.165 -8.974 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.773 -9.742 1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.995 -10.694 0.841 1.00 0.00 H new ATOM 0 HG LEU A 35 4.411 -7.925 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.803 -9.158 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.108 -9.700 3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.346 -10.696 2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.819 -8.301 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.444 -9.825 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.901 -8.276 0.112 1.00 0.00 H new ATOM 63 N GLU A 36 2.530 -11.039 -1.543 1.00 0.00 N ATOM 64 CA GLU A 36 1.588 -11.829 -2.347 1.00 0.00 C ATOM 65 C GLU A 36 0.331 -12.155 -1.550 1.00 0.00 C ATOM 66 O GLU A 36 -0.769 -11.770 -1.945 1.00 0.00 O ATOM 67 CB GLU A 36 2.271 -13.086 -2.914 1.00 0.00 C ATOM 68 CG GLU A 36 1.329 -13.932 -3.785 1.00 0.00 C ATOM 69 CD GLU A 36 2.078 -15.100 -4.451 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.156 -16.198 -3.850 1.00 0.00 O ATOM 71 OE2 GLU A 36 2.595 -14.930 -5.582 1.00 0.00 O ATOM 0 H GLU A 36 3.446 -11.472 -1.427 1.00 0.00 H new ATOM 0 HA GLU A 36 1.272 -11.229 -3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.137 -12.788 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.642 -13.695 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.516 -14.321 -3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.877 -13.303 -4.552 1.00 0.00 H new ATOM 78 N ALA A 37 0.497 -12.816 -0.404 1.00 0.00 N ATOM 79 CA ALA A 37 -0.646 -13.237 0.395 1.00 0.00 C ATOM 80 C ALA A 37 -1.400 -12.014 0.931 1.00 0.00 C ATOM 81 O ALA A 37 -2.628 -12.004 0.975 1.00 0.00 O ATOM 82 CB ALA A 37 -0.222 -14.174 1.525 1.00 0.00 C ATOM 0 H ALA A 37 1.405 -13.068 -0.014 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.324 -13.799 -0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.099 -14.469 2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.251 -15.061 1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.485 -13.661 2.177 1.00 0.00 H new ATOM 88 N ASP A 38 -0.665 -10.958 1.303 1.00 0.00 N ATOM 89 CA ASP A 38 -1.252 -9.719 1.819 1.00 0.00 C ATOM 90 C ASP A 38 -2.112 -9.029 0.753 1.00 0.00 C ATOM 91 O ASP A 38 -3.217 -8.573 1.046 1.00 0.00 O ATOM 92 CB ASP A 38 -0.141 -8.783 2.301 1.00 0.00 C ATOM 93 CG ASP A 38 -0.706 -7.552 3.020 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.352 -7.722 4.081 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.506 -6.415 2.536 1.00 0.00 O ATOM 0 H ASP A 38 0.354 -10.941 1.254 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.901 -9.966 2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.524 -9.324 2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.460 -8.463 1.450 1.00 0.00 H new ATOM 100 N LEU A 39 -1.635 -9.001 -0.498 1.00 0.00 N ATOM 101 CA LEU A 39 -2.327 -8.404 -1.631 1.00 0.00 C ATOM 102 C LEU A 39 -3.630 -9.134 -1.869 1.00 0.00 C ATOM 103 O LEU A 39 -4.681 -8.495 -1.931 1.00 0.00 O ATOM 104 CB LEU A 39 -1.445 -8.449 -2.899 1.00 0.00 C ATOM 105 CG LEU A 39 -2.133 -7.887 -4.170 1.00 0.00 C ATOM 106 CD1 LEU A 39 -1.119 -7.106 -5.014 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.761 -8.967 -5.062 1.00 0.00 C ATOM 0 H LEU A 39 -0.733 -9.405 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.536 -7.359 -1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.532 -7.884 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.149 -9.481 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.936 -7.244 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.611 -6.715 -5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.718 -6.279 -4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.305 -7.768 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.223 -8.498 -5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.988 -9.661 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.519 -9.510 -4.497 1.00 0.00 H new ATOM 119 N VAL A 40 -3.562 -10.456 -2.016 1.00 0.00 N ATOM 120 CA VAL A 40 -4.726 -11.213 -2.424 1.00 0.00 C ATOM 121 C VAL A 40 -5.779 -11.145 -1.315 1.00 0.00 C ATOM 122 O VAL A 40 -6.933 -10.849 -1.614 1.00 0.00 O ATOM 123 CB VAL A 40 -4.336 -12.628 -2.902 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.332 -12.545 -4.068 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.753 -13.513 -1.802 1.00 0.00 C ATOM 0 H VAL A 40 -2.721 -11.012 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.193 -10.772 -3.305 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.266 -13.094 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.068 -13.551 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.783 -12.002 -4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.434 -12.022 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.504 -14.490 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.852 -13.048 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.486 -13.633 -1.004 1.00 0.00 H new ATOM 135 N SER A 41 -5.396 -11.270 -0.039 1.00 0.00 N ATOM 136 CA SER A 41 -6.337 -11.179 1.068 1.00 0.00 C ATOM 137 C SER A 41 -6.940 -9.774 1.218 1.00 0.00 C ATOM 138 O SER A 41 -8.150 -9.674 1.419 1.00 0.00 O ATOM 139 CB SER A 41 -5.667 -11.666 2.356 1.00 0.00 C ATOM 140 OG SER A 41 -5.295 -13.029 2.194 1.00 0.00 O ATOM 0 H SER A 41 -4.431 -11.436 0.247 1.00 0.00 H new ATOM 0 HA SER A 41 -7.182 -11.832 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.789 -11.059 2.577 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.349 -11.559 3.200 1.00 0.00 H new ATOM 0 HG SER A 41 -4.398 -13.079 1.802 1.00 0.00 H new ATOM 146 N LYS A 42 -6.171 -8.686 1.078 1.00 0.00 N ATOM 147 CA LYS A 42 -6.749 -7.333 1.161 1.00 0.00 C ATOM 148 C LYS A 42 -7.677 -7.063 -0.014 1.00 0.00 C ATOM 149 O LYS A 42 -8.778 -6.568 0.200 1.00 0.00 O ATOM 150 CB LYS A 42 -5.641 -6.272 1.213 1.00 0.00 C ATOM 151 CG LYS A 42 -5.054 -6.162 2.625 1.00 0.00 C ATOM 152 CD LYS A 42 -3.848 -5.212 2.630 1.00 0.00 C ATOM 153 CE LYS A 42 -3.278 -5.085 4.051 1.00 0.00 C ATOM 154 NZ LYS A 42 -1.907 -4.516 4.047 1.00 0.00 N ATOM 0 H LYS A 42 -5.165 -8.711 0.910 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.332 -7.276 2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.852 -6.529 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.042 -5.306 0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.815 -5.798 3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.750 -7.148 2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.079 -5.586 1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.147 -4.231 2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.933 -4.452 4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.263 -6.066 4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.531 -4.509 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.292 -5.096 3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.936 -3.543 3.680 1.00 0.00 H new ATOM 168 N MET A 43 -7.285 -7.395 -1.246 1.00 0.00 N ATOM 169 CA MET A 43 -8.137 -7.139 -2.406 1.00 0.00 C ATOM 170 C MET A 43 -9.391 -8.023 -2.352 1.00 0.00 C ATOM 171 O MET A 43 -10.485 -7.512 -2.581 1.00 0.00 O ATOM 172 CB MET A 43 -7.337 -7.293 -3.711 1.00 0.00 C ATOM 173 CG MET A 43 -6.304 -6.161 -3.845 1.00 0.00 C ATOM 174 SD MET A 43 -5.664 -5.929 -5.522 1.00 0.00 S ATOM 175 CE MET A 43 -4.452 -4.608 -5.261 1.00 0.00 C ATOM 0 H MET A 43 -6.392 -7.837 -1.464 1.00 0.00 H new ATOM 0 HA MET A 43 -8.484 -6.106 -2.382 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.831 -8.258 -3.723 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.015 -7.278 -4.564 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.759 -5.229 -3.510 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.469 -6.366 -3.175 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.976 -4.359 -6.209 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.955 -3.726 -4.864 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.695 -4.944 -4.552 1.00 0.00 H new ATOM 185 N LEU A 44 -9.270 -9.295 -1.950 1.00 0.00 N ATOM 186 CA LEU A 44 -10.395 -10.189 -1.641 1.00 0.00 C ATOM 187 C LEU A 44 -11.363 -9.484 -0.699 1.00 0.00 C ATOM 188 O LEU A 44 -12.532 -9.280 -1.026 1.00 0.00 O ATOM 189 CB LEU A 44 -9.830 -11.476 -0.987 1.00 0.00 C ATOM 190 CG LEU A 44 -10.858 -12.411 -0.335 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.614 -13.175 -1.416 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.177 -13.398 0.610 1.00 0.00 C ATOM 0 H LEU A 44 -8.362 -9.743 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.936 -10.453 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.289 -12.038 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.103 -11.185 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.555 -11.805 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.343 -13.838 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.129 -12.469 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.911 -13.765 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.927 -14.049 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.461 -14.001 0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.656 -12.850 1.395 1.00 0.00 H new ATOM 204 N ARG A 45 -10.849 -9.083 0.462 1.00 0.00 N ATOM 205 CA ARG A 45 -11.587 -8.360 1.482 1.00 0.00 C ATOM 206 C ARG A 45 -12.265 -7.132 0.895 1.00 0.00 C ATOM 207 O ARG A 45 -13.436 -6.911 1.181 1.00 0.00 O ATOM 208 CB ARG A 45 -10.588 -8.063 2.610 1.00 0.00 C ATOM 209 CG ARG A 45 -10.972 -6.962 3.598 1.00 0.00 C ATOM 210 CD ARG A 45 -10.447 -5.569 3.213 1.00 0.00 C ATOM 211 NE ARG A 45 -10.381 -4.762 4.434 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.659 -3.467 4.601 1.00 0.00 C ATOM 213 NH1 ARG A 45 -10.736 -2.634 3.564 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.858 -3.038 5.838 1.00 0.00 N ATOM 0 H ARG A 45 -9.879 -9.260 0.721 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.412 -8.942 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.427 -8.983 3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.634 -7.795 2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.058 -6.921 3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.590 -7.224 4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.462 -5.646 2.752 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.106 -5.101 2.481 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.081 -5.259 5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.581 -2.982 2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.950 -1.648 3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.796 -3.690 6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.073 -2.056 6.009 1.00 0.00 H new ATOM 228 N ALA A 46 -11.577 -6.344 0.074 1.00 0.00 N ATOM 229 CA ALA A 46 -12.144 -5.112 -0.437 1.00 0.00 C ATOM 230 C ALA A 46 -13.328 -5.395 -1.359 1.00 0.00 C ATOM 231 O ALA A 46 -14.366 -4.757 -1.207 1.00 0.00 O ATOM 232 CB ALA A 46 -11.064 -4.291 -1.156 1.00 0.00 C ATOM 0 H ALA A 46 -10.629 -6.541 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.517 -4.527 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.501 -3.368 -1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.263 -4.052 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.660 -4.870 -1.987 1.00 0.00 H new ATOM 238 N VAL A 47 -13.221 -6.383 -2.257 1.00 0.00 N ATOM 239 CA VAL A 47 -14.342 -6.761 -3.117 1.00 0.00 C ATOM 240 C VAL A 47 -15.522 -7.186 -2.238 1.00 0.00 C ATOM 241 O VAL A 47 -16.653 -6.759 -2.468 1.00 0.00 O ATOM 242 CB VAL A 47 -13.904 -7.868 -4.103 1.00 0.00 C ATOM 243 CG1 VAL A 47 -15.072 -8.407 -4.935 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.857 -7.327 -5.080 1.00 0.00 C ATOM 0 H VAL A 47 -12.373 -6.930 -2.404 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.664 -5.913 -3.721 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.498 -8.674 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.710 -9.182 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.827 -8.828 -4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.511 -7.595 -5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.558 -8.118 -5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.281 -6.496 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.985 -6.981 -4.524 1.00 0.00 H new ATOM 254 N LEU A 48 -15.269 -7.984 -1.199 1.00 0.00 N ATOM 255 CA LEU A 48 -16.319 -8.456 -0.305 1.00 0.00 C ATOM 256 C LEU A 48 -16.965 -7.301 0.469 1.00 0.00 C ATOM 257 O LEU A 48 -18.174 -7.336 0.691 1.00 0.00 O ATOM 258 CB LEU A 48 -15.720 -9.469 0.679 1.00 0.00 C ATOM 259 CG LEU A 48 -15.236 -10.757 -0.002 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.244 -11.443 0.925 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.401 -11.707 -0.253 1.00 0.00 C ATOM 0 H LEU A 48 -14.336 -8.317 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.097 -8.926 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.884 -9.006 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.468 -9.722 1.431 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.776 -10.504 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.887 -12.362 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.400 -10.779 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.733 -11.681 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.034 -12.613 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.870 -11.966 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.133 -11.222 -0.899 1.00 0.00 H new ATOM 273 N GLN A 49 -16.190 -6.296 0.889 1.00 0.00 N ATOM 274 CA GLN A 49 -16.711 -5.125 1.594 1.00 0.00 C ATOM 275 C GLN A 49 -17.615 -4.301 0.671 1.00 0.00 C ATOM 276 O GLN A 49 -18.663 -3.834 1.121 1.00 0.00 O ATOM 277 CB GLN A 49 -15.569 -4.257 2.159 1.00 0.00 C ATOM 278 CG GLN A 49 -14.886 -4.833 3.417 1.00 0.00 C ATOM 279 CD GLN A 49 -15.765 -4.827 4.677 1.00 0.00 C ATOM 280 OE1 GLN A 49 -16.884 -4.320 4.695 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.279 -5.393 5.772 1.00 0.00 N ATOM 0 H GLN A 49 -15.180 -6.274 0.748 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.306 -5.477 2.437 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.816 -4.121 1.383 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.964 -3.269 2.396 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.576 -5.857 3.210 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.981 -4.260 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.350 -5.814 5.759 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.834 -5.407 6.628 1.00 0.00 H new ATOM 290 N SER A 50 -17.261 -4.154 -0.610 1.00 0.00 N ATOM 291 CA SER A 50 -18.127 -3.504 -1.588 1.00 0.00 C ATOM 292 C SER A 50 -19.407 -4.319 -1.838 1.00 0.00 C ATOM 293 O SER A 50 -20.489 -3.745 -1.985 1.00 0.00 O ATOM 294 CB SER A 50 -17.369 -3.320 -2.911 1.00 0.00 C ATOM 295 OG SER A 50 -16.191 -2.545 -2.718 1.00 0.00 O ATOM 0 H SER A 50 -16.373 -4.480 -0.992 1.00 0.00 H new ATOM 0 HA SER A 50 -18.416 -2.533 -1.187 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.105 -4.294 -3.322 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.015 -2.831 -3.640 1.00 0.00 H new ATOM 0 HG SER A 50 -15.516 -3.085 -2.256 1.00 0.00 H new ATOM 301 N HIS A 51 -19.302 -5.651 -1.850 1.00 0.00 N ATOM 302 CA HIS A 51 -20.364 -6.554 -2.291 1.00 0.00 C ATOM 303 C HIS A 51 -21.060 -7.187 -1.082 1.00 0.00 C ATOM 304 O HIS A 51 -21.014 -8.403 -0.889 1.00 0.00 O ATOM 305 CB HIS A 51 -19.783 -7.586 -3.270 1.00 0.00 C ATOM 306 CG HIS A 51 -19.264 -7.015 -4.574 1.00 0.00 C ATOM 307 ND1 HIS A 51 -19.087 -5.666 -4.902 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.886 -7.770 -5.640 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.596 -5.656 -6.156 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.482 -6.906 -6.627 1.00 0.00 N ATOM 0 H HIS A 51 -18.459 -6.139 -1.547 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.134 -6.001 -2.828 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.970 -8.116 -2.774 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.553 -8.323 -3.495 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.901 -8.848 -5.699 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.331 -4.765 -6.706 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -18.153 -7.169 -7.556 1.00 0.00 H new ATOM 318 N LYS A 52 -21.722 -6.372 -0.248 1.00 0.00 N ATOM 319 CA LYS A 52 -22.381 -6.839 0.984 1.00 0.00 C ATOM 320 C LYS A 52 -23.487 -7.871 0.750 1.00 0.00 C ATOM 321 O LYS A 52 -23.810 -8.618 1.670 1.00 0.00 O ATOM 322 CB LYS A 52 -22.954 -5.647 1.778 1.00 0.00 C ATOM 323 CG LYS A 52 -21.891 -4.742 2.420 1.00 0.00 C ATOM 324 CD LYS A 52 -21.020 -5.477 3.455 1.00 0.00 C ATOM 325 CE LYS A 52 -20.078 -4.534 4.222 1.00 0.00 C ATOM 326 NZ LYS A 52 -20.780 -3.636 5.181 1.00 0.00 N ATOM 0 H LYS A 52 -21.817 -5.369 -0.407 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.601 -7.340 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.571 -5.045 1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.609 -6.029 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.250 -4.333 1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.384 -3.898 2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.666 -5.993 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.429 -6.240 2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.345 -5.130 4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.525 -3.926 3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.085 -3.030 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -21.460 -3.042 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -21.286 -4.209 5.886 1.00 0.00 H new ATOM 340 N ASN A 53 -24.054 -7.945 -0.461 1.00 0.00 N ATOM 341 CA ASN A 53 -25.016 -8.994 -0.824 1.00 0.00 C ATOM 342 C ASN A 53 -24.357 -10.386 -0.855 1.00 0.00 C ATOM 343 O ASN A 53 -25.058 -11.397 -0.948 1.00 0.00 O ATOM 344 CB ASN A 53 -25.667 -8.661 -2.183 1.00 0.00 C ATOM 345 CG ASN A 53 -27.101 -9.187 -2.322 1.00 0.00 C ATOM 346 OD1 ASN A 53 -28.037 -8.411 -2.496 1.00 0.00 O ATOM 347 ND2 ASN A 53 -27.330 -10.489 -2.252 1.00 0.00 N ATOM 0 H ASN A 53 -23.860 -7.284 -1.213 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.791 -9.025 -0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -25.671 -7.580 -2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -25.056 -9.081 -2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.282 -10.845 -2.343 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -26.555 -11.136 -2.108 1.00 0.00 H new ATOM 354 N GLY A 54 -23.025 -10.457 -0.781 1.00 0.00 N ATOM 355 CA GLY A 54 -22.260 -11.682 -0.871 1.00 0.00 C ATOM 356 C GLY A 54 -22.030 -12.081 -2.324 1.00 0.00 C ATOM 357 O GLY A 54 -22.688 -11.578 -3.238 1.00 0.00 O ATOM 0 H GLY A 54 -22.440 -9.631 -0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.301 -11.553 -0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.786 -12.482 -0.350 1.00 0.00 H new ATOM 361 N ILE A 55 -21.078 -12.990 -2.538 1.00 0.00 N ATOM 362 CA ILE A 55 -20.667 -13.450 -3.861 1.00 0.00 C ATOM 363 C ILE A 55 -20.360 -14.932 -3.748 1.00 0.00 C ATOM 364 O ILE A 55 -19.563 -15.325 -2.906 1.00 0.00 O ATOM 365 CB ILE A 55 -19.480 -12.607 -4.412 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.459 -12.110 -3.353 1.00 0.00 C ATOM 367 CG2 ILE A 55 -20.001 -11.395 -5.201 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.397 -11.128 -3.883 1.00 0.00 C ATOM 0 H ILE A 55 -20.562 -13.435 -1.779 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.464 -13.310 -4.592 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.936 -13.302 -5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -19.005 -11.628 -2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.951 -12.975 -2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -19.158 -10.817 -5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.609 -11.739 -6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.607 -10.768 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.731 -10.839 -3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.819 -11.609 -4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.889 -10.241 -4.282 1.00 0.00 H new ATOM 380 N VAL A 56 -21.037 -15.755 -4.548 1.00 0.00 N ATOM 381 CA VAL A 56 -20.841 -17.208 -4.594 1.00 0.00 C ATOM 382 C VAL A 56 -19.396 -17.525 -4.988 1.00 0.00 C ATOM 383 O VAL A 56 -18.850 -16.739 -5.750 1.00 0.00 O ATOM 384 CB VAL A 56 -21.886 -17.833 -5.549 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.296 -17.767 -4.945 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.906 -17.180 -6.946 1.00 0.00 C ATOM 0 H VAL A 56 -21.752 -15.426 -5.196 1.00 0.00 H new ATOM 0 HA VAL A 56 -20.998 -17.651 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.580 -18.872 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -24.010 -18.213 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.314 -18.314 -4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.567 -16.726 -4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.661 -17.666 -7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.144 -16.121 -6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.928 -17.291 -7.414 1.00 0.00 H new ATOM 396 N LEU A 57 -18.766 -18.628 -4.558 1.00 0.00 N ATOM 397 CA LEU A 57 -17.318 -18.839 -4.812 1.00 0.00 C ATOM 398 C LEU A 57 -16.843 -18.604 -6.269 1.00 0.00 C ATOM 399 O LEU A 57 -15.758 -18.046 -6.423 1.00 0.00 O ATOM 400 CB LEU A 57 -16.709 -20.105 -4.150 1.00 0.00 C ATOM 401 CG LEU A 57 -16.733 -21.465 -4.896 1.00 0.00 C ATOM 402 CD1 LEU A 57 -15.800 -21.532 -6.119 1.00 0.00 C ATOM 403 CD2 LEU A 57 -16.272 -22.562 -3.930 1.00 0.00 C ATOM 0 H LEU A 57 -19.220 -19.381 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.876 -18.006 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.667 -19.880 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.220 -20.250 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.756 -21.595 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -15.877 -22.516 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.090 -20.768 -6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.771 -21.360 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -16.284 -23.525 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.260 -22.344 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -16.944 -22.598 -3.073 1.00 0.00 H new ATOM 415 N PRO A 58 -17.575 -18.941 -7.357 1.00 0.00 N ATOM 416 CA PRO A 58 -17.088 -18.619 -8.703 1.00 0.00 C ATOM 417 C PRO A 58 -17.202 -17.115 -8.998 1.00 0.00 C ATOM 418 O PRO A 58 -16.295 -16.517 -9.575 1.00 0.00 O ATOM 419 CB PRO A 58 -17.922 -19.477 -9.659 1.00 0.00 C ATOM 420 CG PRO A 58 -19.222 -19.738 -8.899 1.00 0.00 C ATOM 421 CD PRO A 58 -18.777 -19.775 -7.438 1.00 0.00 C ATOM 0 HA PRO A 58 -16.027 -18.841 -8.816 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.109 -18.958 -10.599 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.412 -20.408 -9.905 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.956 -18.951 -9.076 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.683 -20.678 -9.202 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.560 -19.394 -6.783 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.565 -20.796 -7.121 1.00 0.00 H new ATOM 429 N ARG A 59 -18.281 -16.470 -8.534 1.00 0.00 N ATOM 430 CA ARG A 59 -18.456 -15.018 -8.629 1.00 0.00 C ATOM 431 C ARG A 59 -17.417 -14.304 -7.761 1.00 0.00 C ATOM 432 O ARG A 59 -16.948 -13.240 -8.142 1.00 0.00 O ATOM 433 CB ARG A 59 -19.906 -14.670 -8.238 1.00 0.00 C ATOM 434 CG ARG A 59 -20.283 -13.222 -8.555 1.00 0.00 C ATOM 435 CD ARG A 59 -21.761 -12.932 -8.257 1.00 0.00 C ATOM 436 NE ARG A 59 -22.105 -11.537 -8.591 1.00 0.00 N ATOM 437 CZ ARG A 59 -23.316 -10.972 -8.475 1.00 0.00 C ATOM 438 NH1 ARG A 59 -24.363 -11.682 -8.053 1.00 0.00 N ATOM 439 NH2 ARG A 59 -23.481 -9.688 -8.784 1.00 0.00 N ATOM 0 H ARG A 59 -19.061 -16.946 -8.080 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.292 -14.674 -9.650 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.588 -15.340 -8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.041 -14.849 -7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.657 -12.548 -7.970 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.078 -13.016 -9.606 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -22.391 -13.613 -8.830 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.966 -13.118 -7.203 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.351 -10.947 -8.943 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -24.248 -12.667 -7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -25.278 -11.240 -7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.687 -9.135 -9.108 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.401 -9.257 -8.696 1.00 0.00 H new ATOM 453 N LEU A 60 -17.032 -14.901 -6.626 1.00 0.00 N ATOM 454 CA LEU A 60 -15.965 -14.411 -5.766 1.00 0.00 C ATOM 455 C LEU A 60 -14.710 -14.304 -6.613 1.00 0.00 C ATOM 456 O LEU A 60 -14.184 -13.205 -6.731 1.00 0.00 O ATOM 457 CB LEU A 60 -15.773 -15.318 -4.519 1.00 0.00 C ATOM 458 CG LEU A 60 -14.697 -14.883 -3.506 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.276 -15.211 -3.955 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.794 -13.402 -3.146 1.00 0.00 C ATOM 0 H LEU A 60 -17.467 -15.756 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.216 -13.429 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.727 -15.383 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.529 -16.323 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.908 -15.472 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.568 -14.878 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.178 -16.288 -4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.065 -14.702 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.013 -13.150 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.669 -12.800 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.770 -13.198 -2.706 1.00 0.00 H new ATOM 472 N GLN A 61 -14.280 -15.402 -7.251 1.00 0.00 N ATOM 473 CA GLN A 61 -13.131 -15.405 -8.160 1.00 0.00 C ATOM 474 C GLN A 61 -13.261 -14.329 -9.241 1.00 0.00 C ATOM 475 O GLN A 61 -12.298 -13.606 -9.465 1.00 0.00 O ATOM 476 CB GLN A 61 -12.936 -16.796 -8.794 1.00 0.00 C ATOM 477 CG GLN A 61 -11.979 -17.708 -8.009 1.00 0.00 C ATOM 478 CD GLN A 61 -10.527 -17.545 -8.486 1.00 0.00 C ATOM 479 OE1 GLN A 61 -9.977 -16.451 -8.483 1.00 0.00 O ATOM 480 NE2 GLN A 61 -9.860 -18.611 -8.911 1.00 0.00 N ATOM 0 H GLN A 61 -14.723 -16.315 -7.149 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.247 -15.170 -7.568 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.906 -17.287 -8.875 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.555 -16.673 -9.808 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.042 -17.475 -6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.287 -18.747 -8.126 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.311 -19.526 -8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.897 -18.515 -9.232 1.00 0.00 H new ATOM 489 N GLY A 62 -14.423 -14.198 -9.893 1.00 0.00 N ATOM 490 CA GLY A 62 -14.599 -13.237 -10.977 1.00 0.00 C ATOM 491 C GLY A 62 -14.372 -11.799 -10.511 1.00 0.00 C ATOM 492 O GLY A 62 -13.560 -11.069 -11.088 1.00 0.00 O ATOM 0 H GLY A 62 -15.255 -14.750 -9.684 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.905 -13.470 -11.784 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.605 -13.331 -11.385 1.00 0.00 H new ATOM 496 N GLU A 63 -15.054 -11.380 -9.444 1.00 0.00 N ATOM 497 CA GLU A 63 -14.983 -10.002 -8.962 1.00 0.00 C ATOM 498 C GLU A 63 -13.612 -9.727 -8.322 1.00 0.00 C ATOM 499 O GLU A 63 -12.998 -8.686 -8.578 1.00 0.00 O ATOM 500 CB GLU A 63 -16.136 -9.743 -7.979 1.00 0.00 C ATOM 501 CG GLU A 63 -17.526 -9.833 -8.627 1.00 0.00 C ATOM 502 CD GLU A 63 -17.737 -8.736 -9.684 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.805 -7.543 -9.303 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.831 -9.060 -10.893 1.00 0.00 O ATOM 0 H GLU A 63 -15.667 -11.982 -8.894 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.090 -9.314 -9.801 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.077 -10.464 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.012 -8.753 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.648 -10.812 -9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.292 -9.747 -7.857 1.00 0.00 H new ATOM 511 N TYR A 64 -13.089 -10.692 -7.550 1.00 0.00 N ATOM 512 CA TYR A 64 -11.731 -10.672 -7.022 1.00 0.00 C ATOM 513 C TYR A 64 -10.738 -10.412 -8.156 1.00 0.00 C ATOM 514 O TYR A 64 -9.971 -9.452 -8.090 1.00 0.00 O ATOM 515 CB TYR A 64 -11.426 -12.004 -6.316 1.00 0.00 C ATOM 516 CG TYR A 64 -9.955 -12.272 -6.108 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.294 -11.844 -4.943 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.245 -12.960 -7.104 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.920 -12.094 -4.781 1.00 0.00 C ATOM 520 CE2 TYR A 64 -7.877 -13.194 -6.953 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.205 -12.766 -5.799 1.00 0.00 C ATOM 522 OH TYR A 64 -5.872 -12.997 -5.685 1.00 0.00 O ATOM 0 H TYR A 64 -13.615 -11.521 -7.274 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.635 -9.868 -6.292 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.926 -12.011 -5.347 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.853 -12.818 -6.901 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.842 -11.323 -4.172 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.757 -13.309 -7.988 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.413 -11.774 -3.883 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.332 -13.708 -7.731 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.553 -13.472 -6.481 1.00 0.00 H new ATOM 532 N ARG A 65 -10.789 -11.229 -9.213 1.00 0.00 N ATOM 533 CA ARG A 65 -9.805 -11.179 -10.285 1.00 0.00 C ATOM 534 C ARG A 65 -9.936 -9.885 -11.068 1.00 0.00 C ATOM 535 O ARG A 65 -8.932 -9.364 -11.546 1.00 0.00 O ATOM 536 CB ARG A 65 -9.927 -12.422 -11.178 1.00 0.00 C ATOM 537 CG ARG A 65 -8.725 -12.545 -12.122 1.00 0.00 C ATOM 538 CD ARG A 65 -9.047 -12.291 -13.588 1.00 0.00 C ATOM 539 NE ARG A 65 -7.827 -12.487 -14.384 1.00 0.00 N ATOM 540 CZ ARG A 65 -7.717 -12.346 -15.713 1.00 0.00 C ATOM 541 NH1 ARG A 65 -8.772 -12.002 -16.451 1.00 0.00 N ATOM 542 NH2 ARG A 65 -6.541 -12.553 -16.299 1.00 0.00 N ATOM 0 H ARG A 65 -11.511 -11.937 -9.344 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.803 -11.189 -9.855 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.998 -13.314 -10.556 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.846 -12.366 -11.761 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.956 -11.841 -11.804 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.302 -13.545 -12.024 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.830 -12.970 -13.925 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.425 -11.277 -13.721 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.984 -12.756 -13.877 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.676 -11.843 -16.006 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.676 -11.898 -17.461 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.731 -12.817 -15.738 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.449 -12.448 -17.309 1.00 0.00 H new ATOM 556 N SER A 66 -11.149 -9.344 -11.181 1.00 0.00 N ATOM 557 CA SER A 66 -11.357 -8.037 -11.780 1.00 0.00 C ATOM 558 C SER A 66 -10.613 -6.946 -10.990 1.00 0.00 C ATOM 559 O SER A 66 -10.090 -6.014 -11.609 1.00 0.00 O ATOM 560 CB SER A 66 -12.858 -7.739 -11.893 1.00 0.00 C ATOM 561 OG SER A 66 -13.522 -8.730 -12.665 1.00 0.00 O ATOM 0 H SER A 66 -12.004 -9.799 -10.861 1.00 0.00 H new ATOM 0 HA SER A 66 -10.941 -8.041 -12.788 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.299 -7.695 -10.897 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.004 -6.760 -12.350 1.00 0.00 H new ATOM 0 HG SER A 66 -13.574 -9.564 -12.152 1.00 0.00 H new ATOM 567 N LEU A 67 -10.522 -7.050 -9.655 1.00 0.00 N ATOM 568 CA LEU A 67 -9.742 -6.098 -8.861 1.00 0.00 C ATOM 569 C LEU A 67 -8.230 -6.385 -8.930 1.00 0.00 C ATOM 570 O LEU A 67 -7.456 -5.466 -9.205 1.00 0.00 O ATOM 571 CB LEU A 67 -10.233 -6.056 -7.402 1.00 0.00 C ATOM 572 CG LEU A 67 -9.500 -4.993 -6.550 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.625 -3.570 -7.112 1.00 0.00 C ATOM 574 CD2 LEU A 67 -10.060 -4.989 -5.123 1.00 0.00 C ATOM 0 H LEU A 67 -10.978 -7.781 -9.108 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.900 -5.113 -9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.303 -5.849 -7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.093 -7.037 -6.949 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.446 -5.271 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.088 -2.875 -6.466 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.199 -3.536 -8.115 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.677 -3.287 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.539 -4.238 -4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.124 -4.755 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.916 -5.971 -4.673 1.00 0.00 H new ATOM 586 N THR A 68 -7.781 -7.619 -8.679 1.00 0.00 N ATOM 587 CA THR A 68 -6.350 -7.932 -8.545 1.00 0.00 C ATOM 588 C THR A 68 -5.621 -7.991 -9.891 1.00 0.00 C ATOM 589 O THR A 68 -4.441 -7.630 -9.969 1.00 0.00 O ATOM 590 CB THR A 68 -6.181 -9.316 -7.908 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.066 -10.206 -8.552 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.484 -9.327 -6.419 1.00 0.00 C ATOM 0 H THR A 68 -8.393 -8.427 -8.563 1.00 0.00 H new ATOM 0 HA THR A 68 -5.926 -7.133 -7.937 1.00 0.00 H new ATOM 0 HB THR A 68 -5.138 -9.611 -8.028 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.200 -10.998 -7.990 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.346 -10.335 -6.027 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.809 -8.642 -5.905 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.514 -9.012 -6.255 1.00 0.00 H new ATOM 600 N GLY A 69 -6.305 -8.449 -10.943 1.00 0.00 N ATOM 601 CA GLY A 69 -5.677 -8.785 -12.208 1.00 0.00 C ATOM 602 C GLY A 69 -4.960 -10.145 -12.101 1.00 0.00 C ATOM 603 O GLY A 69 -4.083 -10.430 -12.918 1.00 0.00 O ATOM 0 H GLY A 69 -7.314 -8.595 -10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.428 -8.823 -12.997 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.963 -8.010 -12.485 1.00 0.00 H new ATOM 607 N ASP A 70 -5.308 -10.981 -11.110 1.00 0.00 N ATOM 608 CA ASP A 70 -4.735 -12.311 -10.876 1.00 0.00 C ATOM 609 C ASP A 70 -5.841 -13.237 -10.382 1.00 0.00 C ATOM 610 O ASP A 70 -6.794 -12.752 -9.780 1.00 0.00 O ATOM 611 CB ASP A 70 -3.633 -12.252 -9.806 1.00 0.00 C ATOM 612 CG ASP A 70 -2.812 -13.555 -9.722 1.00 0.00 C ATOM 613 OD1 ASP A 70 -2.788 -14.345 -10.700 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.174 -13.787 -8.666 1.00 0.00 O ATOM 0 H ASP A 70 -6.024 -10.737 -10.425 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.303 -12.677 -11.808 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.964 -11.420 -10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.086 -12.050 -8.835 1.00 0.00 H new ATOM 619 N TRP A 71 -5.752 -14.542 -10.612 1.00 0.00 N ATOM 620 CA TRP A 71 -6.698 -15.517 -10.067 1.00 0.00 C ATOM 621 C TRP A 71 -6.249 -15.908 -8.648 1.00 0.00 C ATOM 622 O TRP A 71 -5.068 -15.784 -8.313 1.00 0.00 O ATOM 623 CB TRP A 71 -6.735 -16.747 -10.981 1.00 0.00 C ATOM 624 CG TRP A 71 -7.127 -16.452 -12.401 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.291 -16.432 -13.461 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.446 -16.133 -12.941 1.00 0.00 C ATOM 627 NE1 TRP A 71 -6.995 -16.154 -14.614 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.332 -15.953 -14.353 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.723 -15.937 -12.370 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.436 -15.631 -15.160 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.829 -15.587 -13.168 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.695 -15.449 -14.559 1.00 0.00 C ATOM 0 H TRP A 71 -5.018 -14.959 -11.185 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.699 -15.089 -10.016 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.751 -17.217 -10.978 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.435 -17.472 -10.566 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.227 -16.608 -13.413 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.578 -16.104 -15.543 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.853 -16.057 -11.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.320 -15.525 -16.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.791 -15.423 -12.705 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.555 -15.204 -15.165 1.00 0.00 H new ATOM 643 N ILE A 72 -7.184 -16.352 -7.795 1.00 0.00 N ATOM 644 CA ILE A 72 -6.882 -16.693 -6.404 1.00 0.00 C ATOM 645 C ILE A 72 -5.772 -17.755 -6.378 1.00 0.00 C ATOM 646 O ILE A 72 -5.894 -18.779 -7.058 1.00 0.00 O ATOM 647 CB ILE A 72 -8.153 -17.129 -5.626 1.00 0.00 C ATOM 648 CG1 ILE A 72 -8.898 -15.851 -5.209 1.00 0.00 C ATOM 649 CG2 ILE A 72 -7.852 -18.014 -4.400 1.00 0.00 C ATOM 650 CD1 ILE A 72 -10.140 -16.039 -4.350 1.00 0.00 C ATOM 0 H ILE A 72 -8.163 -16.483 -8.051 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.519 -15.806 -5.885 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.765 -17.751 -6.280 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.202 -15.212 -4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.186 -15.314 -6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.786 -18.280 -3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.341 -18.921 -4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.216 -17.467 -3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.575 -15.066 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.868 -16.645 -4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.868 -16.541 -3.422 1.00 0.00 H new ATOM 662 N PRO A 73 -4.727 -17.561 -5.557 1.00 0.00 N ATOM 663 CA PRO A 73 -3.649 -18.517 -5.408 1.00 0.00 C ATOM 664 C PRO A 73 -4.039 -19.652 -4.437 1.00 0.00 C ATOM 665 O PRO A 73 -3.276 -19.931 -3.522 1.00 0.00 O ATOM 666 CB PRO A 73 -2.452 -17.666 -4.948 1.00 0.00 C ATOM 667 CG PRO A 73 -3.113 -16.627 -4.061 1.00 0.00 C ATOM 668 CD PRO A 73 -4.420 -16.352 -4.797 1.00 0.00 C ATOM 0 HA PRO A 73 -3.405 -19.049 -6.327 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.718 -18.259 -4.402 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.931 -17.210 -5.789 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.286 -17.004 -3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.504 -15.728 -3.965 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.221 -16.121 -4.094 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.319 -15.492 -5.459 1.00 0.00 H new ATOM 676 N PHE A 74 -5.222 -20.276 -4.538 1.00 0.00 N ATOM 677 CA PHE A 74 -5.673 -21.254 -3.538 1.00 0.00 C ATOM 678 C PHE A 74 -4.716 -22.446 -3.495 1.00 0.00 C ATOM 679 O PHE A 74 -4.017 -22.648 -2.504 1.00 0.00 O ATOM 680 CB PHE A 74 -7.146 -21.672 -3.738 1.00 0.00 C ATOM 681 CG PHE A 74 -7.476 -22.409 -5.022 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.668 -21.716 -6.233 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.591 -23.813 -5.002 1.00 0.00 C ATOM 684 CE1 PHE A 74 -7.965 -22.422 -7.411 1.00 0.00 C ATOM 685 CE2 PHE A 74 -7.910 -24.515 -6.175 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.095 -23.821 -7.382 1.00 0.00 C ATOM 0 H PHE A 74 -5.882 -20.121 -5.300 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.646 -20.773 -2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.438 -22.303 -2.899 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.764 -20.775 -3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.587 -20.639 -6.256 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.433 -24.352 -4.080 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.094 -21.888 -8.341 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.013 -25.590 -6.149 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.337 -24.361 -8.286 1.00 0.00 H new ATOM 696 N LYS A 75 -4.608 -23.184 -4.599 1.00 0.00 N ATOM 697 CA LYS A 75 -3.754 -24.361 -4.717 1.00 0.00 C ATOM 698 C LYS A 75 -2.276 -23.971 -4.618 1.00 0.00 C ATOM 699 O LYS A 75 -1.443 -24.759 -4.175 1.00 0.00 O ATOM 700 CB LYS A 75 -4.105 -25.029 -6.054 1.00 0.00 C ATOM 701 CG LYS A 75 -3.559 -26.458 -6.158 1.00 0.00 C ATOM 702 CD LYS A 75 -3.944 -27.099 -7.500 1.00 0.00 C ATOM 703 CE LYS A 75 -3.365 -28.518 -7.604 1.00 0.00 C ATOM 704 NZ LYS A 75 -3.691 -29.169 -8.901 1.00 0.00 N ATOM 0 H LYS A 75 -5.124 -22.974 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.924 -25.065 -3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.188 -25.048 -6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.704 -24.430 -6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.474 -26.445 -6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.949 -27.061 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.029 -27.135 -7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.572 -26.487 -8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.282 -28.476 -7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.753 -29.127 -6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.279 -30.124 -8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.724 -29.235 -9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.299 -28.604 -9.681 1.00 0.00 H new ATOM 718 N GLN A 76 -1.973 -22.742 -5.026 1.00 0.00 N ATOM 719 CA GLN A 76 -0.648 -22.172 -5.109 1.00 0.00 C ATOM 720 C GLN A 76 -0.138 -21.841 -3.690 1.00 0.00 C ATOM 721 O GLN A 76 1.030 -22.085 -3.383 1.00 0.00 O ATOM 722 CB GLN A 76 -0.704 -20.943 -6.045 1.00 0.00 C ATOM 723 CG GLN A 76 -1.289 -21.189 -7.468 1.00 0.00 C ATOM 724 CD GLN A 76 -2.813 -21.002 -7.612 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.599 -21.493 -6.813 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.304 -20.281 -8.609 1.00 0.00 N ATOM 0 H GLN A 76 -2.694 -22.085 -5.323 1.00 0.00 H new ATOM 0 HA GLN A 76 0.066 -22.877 -5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.298 -20.169 -5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.306 -20.548 -6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.792 -20.514 -8.165 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.037 -22.205 -7.773 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.674 -19.859 -9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.312 -20.148 -8.694 1.00 0.00 H new ATOM 735 N LEU A 77 -1.016 -21.346 -2.801 1.00 0.00 N ATOM 736 CA LEU A 77 -0.761 -21.177 -1.367 1.00 0.00 C ATOM 737 C LEU A 77 -0.852 -22.530 -0.637 1.00 0.00 C ATOM 738 O LEU A 77 -0.187 -22.709 0.387 1.00 0.00 O ATOM 739 CB LEU A 77 -1.739 -20.167 -0.741 1.00 0.00 C ATOM 740 CG LEU A 77 -1.527 -18.692 -1.142 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.688 -17.822 -0.626 1.00 0.00 C ATOM 742 CD2 LEU A 77 -0.212 -18.109 -0.613 1.00 0.00 C ATOM 0 H LEU A 77 -1.951 -21.044 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 77 0.249 -20.784 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.754 -20.456 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.666 -20.243 0.344 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.488 -18.680 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.523 -16.785 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.626 -18.175 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.738 -17.890 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.122 -17.070 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.203 -18.160 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.626 -18.683 -1.009 1.00 0.00 H new ATOM 754 N GLY A 78 -1.619 -23.487 -1.174 1.00 0.00 N ATOM 755 CA GLY A 78 -1.677 -24.873 -0.707 1.00 0.00 C ATOM 756 C GLY A 78 -3.046 -25.299 -0.172 1.00 0.00 C ATOM 757 O GLY A 78 -3.168 -26.394 0.382 1.00 0.00 O ATOM 0 H GLY A 78 -2.234 -23.311 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.399 -25.533 -1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.934 -25.011 0.078 1.00 0.00 H new ATOM 761 N TYR A 79 -4.076 -24.465 -0.329 1.00 0.00 N ATOM 762 CA TYR A 79 -5.456 -24.794 0.012 1.00 0.00 C ATOM 763 C TYR A 79 -6.024 -25.637 -1.131 1.00 0.00 C ATOM 764 O TYR A 79 -5.791 -25.291 -2.289 1.00 0.00 O ATOM 765 CB TYR A 79 -6.267 -23.505 0.161 1.00 0.00 C ATOM 766 CG TYR A 79 -5.629 -22.553 1.146 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.758 -22.786 2.524 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.895 -21.445 0.687 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.131 -21.929 3.442 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.270 -20.580 1.600 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.387 -20.817 2.992 1.00 0.00 C ATOM 772 OH TYR A 79 -3.793 -19.996 3.908 1.00 0.00 O ATOM 0 H TYR A 79 -3.969 -23.523 -0.705 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.503 -25.344 0.952 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.357 -23.018 -0.810 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.277 -23.747 0.491 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.340 -23.624 2.878 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.811 -21.258 -0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.219 -22.122 4.501 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.701 -19.735 1.241 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.317 -19.277 3.443 1.00 0.00 H new ATOM 782 N PRO A 80 -6.791 -26.706 -0.868 1.00 0.00 N ATOM 783 CA PRO A 80 -7.236 -27.594 -1.936 1.00 0.00 C ATOM 784 C PRO A 80 -8.283 -26.960 -2.857 1.00 0.00 C ATOM 785 O PRO A 80 -8.378 -27.358 -4.020 1.00 0.00 O ATOM 786 CB PRO A 80 -7.788 -28.836 -1.224 1.00 0.00 C ATOM 787 CG PRO A 80 -8.233 -28.290 0.133 1.00 0.00 C ATOM 788 CD PRO A 80 -7.151 -27.252 0.430 1.00 0.00 C ATOM 0 HA PRO A 80 -6.408 -27.833 -2.603 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.619 -29.279 -1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.028 -29.610 -1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.226 -27.842 0.087 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.270 -29.070 0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.522 -26.474 1.097 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.290 -27.707 0.920 1.00 0.00 H new ATOM 796 N THR A 81 -9.063 -25.990 -2.364 1.00 0.00 N ATOM 797 CA THR A 81 -10.212 -25.444 -3.074 1.00 0.00 C ATOM 798 C THR A 81 -10.336 -23.945 -2.785 1.00 0.00 C ATOM 799 O THR A 81 -9.725 -23.428 -1.842 1.00 0.00 O ATOM 800 CB THR A 81 -11.465 -26.213 -2.605 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.502 -26.167 -1.190 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.480 -27.680 -3.035 1.00 0.00 C ATOM 0 H THR A 81 -8.907 -25.562 -1.451 1.00 0.00 H new ATOM 0 HA THR A 81 -10.097 -25.560 -4.152 1.00 0.00 H new ATOM 0 HB THR A 81 -12.329 -25.735 -3.066 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.195 -26.777 -0.861 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.390 -28.157 -2.670 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.450 -27.741 -4.123 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.611 -28.190 -2.619 1.00 0.00 H new ATOM 810 N LEU A 82 -11.179 -23.246 -3.560 1.00 0.00 N ATOM 811 CA LEU A 82 -11.551 -21.861 -3.274 1.00 0.00 C ATOM 812 C LEU A 82 -12.238 -21.791 -1.923 1.00 0.00 C ATOM 813 O LEU A 82 -11.958 -20.873 -1.157 1.00 0.00 O ATOM 814 CB LEU A 82 -12.497 -21.282 -4.351 1.00 0.00 C ATOM 815 CG LEU A 82 -11.853 -20.841 -5.679 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.685 -19.880 -5.453 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.382 -22.021 -6.529 1.00 0.00 C ATOM 0 H LEU A 82 -11.618 -23.627 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.637 -21.267 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.256 -22.032 -4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.014 -20.423 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.641 -20.323 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.259 -19.593 -6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.041 -18.990 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.922 -20.371 -4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.937 -21.650 -7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.640 -22.596 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.232 -22.660 -6.768 1.00 0.00 H new ATOM 829 N GLU A 83 -13.112 -22.755 -1.612 1.00 0.00 N ATOM 830 CA GLU A 83 -13.772 -22.759 -0.318 1.00 0.00 C ATOM 831 C GLU A 83 -12.720 -22.874 0.778 1.00 0.00 C ATOM 832 O GLU A 83 -12.758 -22.064 1.690 1.00 0.00 O ATOM 833 CB GLU A 83 -14.908 -23.797 -0.221 1.00 0.00 C ATOM 834 CG GLU A 83 -14.480 -25.268 -0.216 1.00 0.00 C ATOM 835 CD GLU A 83 -15.681 -26.200 0.014 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.366 -26.577 -0.964 1.00 0.00 O ATOM 837 OE2 GLU A 83 -15.936 -26.555 1.191 1.00 0.00 O ATOM 0 H GLU A 83 -13.370 -23.524 -2.230 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.291 -21.810 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.474 -23.602 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.588 -23.641 -1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.004 -25.513 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.737 -25.430 0.565 1.00 0.00 H new ATOM 844 N ALA A 84 -11.740 -23.784 0.683 1.00 0.00 N ATOM 845 CA ALA A 84 -10.738 -23.965 1.734 1.00 0.00 C ATOM 846 C ALA A 84 -9.903 -22.700 1.941 1.00 0.00 C ATOM 847 O ALA A 84 -9.653 -22.312 3.083 1.00 0.00 O ATOM 848 CB ALA A 84 -9.855 -25.164 1.398 1.00 0.00 C ATOM 0 H ALA A 84 -11.623 -24.407 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.253 -24.158 2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.109 -25.298 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.471 -26.061 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.354 -24.991 0.446 1.00 0.00 H new ATOM 854 N TYR A 85 -9.523 -22.026 0.854 1.00 0.00 N ATOM 855 CA TYR A 85 -8.886 -20.719 0.935 1.00 0.00 C ATOM 856 C TYR A 85 -9.781 -19.738 1.717 1.00 0.00 C ATOM 857 O TYR A 85 -9.316 -19.128 2.678 1.00 0.00 O ATOM 858 CB TYR A 85 -8.557 -20.225 -0.477 1.00 0.00 C ATOM 859 CG TYR A 85 -8.138 -18.772 -0.494 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.856 -18.409 -0.053 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.034 -17.784 -0.942 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.458 -17.062 -0.032 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.646 -16.436 -0.934 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.361 -16.061 -0.469 1.00 0.00 C ATOM 865 OH TYR A 85 -7.001 -14.748 -0.445 1.00 0.00 O ATOM 0 H TYR A 85 -9.649 -22.371 -0.098 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.947 -20.791 1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.758 -20.836 -0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.429 -20.357 -1.118 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.168 -19.174 0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.017 -18.063 -1.291 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.472 -16.791 0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.331 -15.679 -1.285 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.464 -14.269 -1.164 1.00 0.00 H new ATOM 875 N LEU A 86 -11.071 -19.627 1.372 1.00 0.00 N ATOM 876 CA LEU A 86 -12.023 -18.748 2.061 1.00 0.00 C ATOM 877 C LEU A 86 -12.253 -19.149 3.533 1.00 0.00 C ATOM 878 O LEU A 86 -12.367 -18.269 4.385 1.00 0.00 O ATOM 879 CB LEU A 86 -13.348 -18.718 1.277 1.00 0.00 C ATOM 880 CG LEU A 86 -13.233 -18.070 -0.117 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.368 -18.555 -1.020 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.257 -16.543 -0.016 1.00 0.00 C ATOM 0 H LEU A 86 -11.486 -20.150 0.600 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.593 -17.747 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.715 -19.738 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.092 -18.174 1.860 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.279 -18.368 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.276 -18.090 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.312 -19.639 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.326 -18.282 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.174 -16.111 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.193 -16.223 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.420 -16.206 0.596 1.00 0.00 H new ATOM 894 N ARG A 87 -12.271 -20.451 3.866 1.00 0.00 N ATOM 895 CA ARG A 87 -12.302 -20.929 5.268 1.00 0.00 C ATOM 896 C ARG A 87 -11.096 -20.383 6.035 1.00 0.00 C ATOM 897 O ARG A 87 -11.213 -20.092 7.224 1.00 0.00 O ATOM 898 CB ARG A 87 -12.263 -22.475 5.413 1.00 0.00 C ATOM 899 CG ARG A 87 -13.586 -23.261 5.325 1.00 0.00 C ATOM 900 CD ARG A 87 -14.069 -23.447 3.884 1.00 0.00 C ATOM 901 NE ARG A 87 -14.985 -24.583 3.634 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.157 -24.895 4.212 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.628 -24.246 5.275 1.00 0.00 N ATOM 904 NH2 ARG A 87 -16.867 -25.889 3.698 1.00 0.00 N ATOM 0 H ARG A 87 -12.265 -21.203 3.177 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.250 -20.570 5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.597 -22.862 4.642 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.805 -22.705 6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.454 -24.239 5.789 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.353 -22.738 5.896 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.569 -22.531 3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.195 -23.567 3.244 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.678 -25.231 2.909 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.094 -23.479 5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.523 -24.516 5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.520 -26.396 2.884 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.760 -26.147 4.117 1.00 0.00 H new ATOM 918 N SER A 88 -9.946 -20.272 5.375 1.00 0.00 N ATOM 919 CA SER A 88 -8.658 -19.971 5.987 1.00 0.00 C ATOM 920 C SER A 88 -8.396 -18.467 6.194 1.00 0.00 C ATOM 921 O SER A 88 -7.270 -18.087 6.523 1.00 0.00 O ATOM 922 CB SER A 88 -7.561 -20.666 5.176 1.00 0.00 C ATOM 923 OG SER A 88 -7.831 -22.064 5.111 1.00 0.00 O ATOM 0 H SER A 88 -9.885 -20.394 4.364 1.00 0.00 H new ATOM 0 HA SER A 88 -8.661 -20.365 7.003 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.516 -20.246 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.589 -20.494 5.637 1.00 0.00 H new ATOM 0 HG SER A 88 -8.584 -22.224 4.505 1.00 0.00 H new ATOM 929 N VAL A 89 -9.410 -17.604 6.040 1.00 0.00 N ATOM 930 CA VAL A 89 -9.322 -16.161 6.312 1.00 0.00 C ATOM 931 C VAL A 89 -10.465 -15.718 7.266 1.00 0.00 C ATOM 932 O VAL A 89 -11.092 -14.684 7.044 1.00 0.00 O ATOM 933 CB VAL A 89 -9.186 -15.430 4.946 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.289 -15.800 3.944 1.00 0.00 C ATOM 935 CG2 VAL A 89 -9.034 -13.902 5.044 1.00 0.00 C ATOM 0 H VAL A 89 -10.333 -17.894 5.717 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.433 -15.878 6.876 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.240 -15.808 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.133 -15.254 3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.256 -16.871 3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.262 -15.537 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.946 -13.480 4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.908 -13.480 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.140 -13.661 5.619 1.00 0.00 H new ATOM 945 N PRO A 90 -10.763 -16.451 8.362 1.00 0.00 N ATOM 946 CA PRO A 90 -11.961 -16.206 9.163 1.00 0.00 C ATOM 947 C PRO A 90 -11.916 -14.882 9.948 1.00 0.00 C ATOM 948 O PRO A 90 -12.961 -14.390 10.381 1.00 0.00 O ATOM 949 CB PRO A 90 -12.072 -17.412 10.104 1.00 0.00 C ATOM 950 CG PRO A 90 -10.612 -17.800 10.340 1.00 0.00 C ATOM 951 CD PRO A 90 -9.946 -17.483 9.004 1.00 0.00 C ATOM 0 HA PRO A 90 -12.833 -16.100 8.517 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.576 -17.152 11.035 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.638 -18.226 9.651 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.170 -17.228 11.156 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.512 -18.854 10.599 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.925 -17.131 9.154 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.887 -18.374 8.379 1.00 0.00 H new ATOM 959 N ALA A 91 -10.725 -14.291 10.141 1.00 0.00 N ATOM 960 CA ALA A 91 -10.562 -13.039 10.877 1.00 0.00 C ATOM 961 C ALA A 91 -10.863 -11.810 10.011 1.00 0.00 C ATOM 962 O ALA A 91 -10.898 -10.698 10.543 1.00 0.00 O ATOM 963 CB ALA A 91 -9.134 -12.975 11.432 1.00 0.00 C ATOM 0 H ALA A 91 -9.849 -14.675 9.787 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.283 -13.023 11.694 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.999 -12.045 11.984 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.965 -13.820 12.099 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.421 -13.015 10.608 1.00 0.00 H new ATOM 969 N VAL A 92 -11.068 -11.980 8.699 1.00 0.00 N ATOM 970 CA VAL A 92 -11.231 -10.868 7.755 1.00 0.00 C ATOM 971 C VAL A 92 -12.401 -11.131 6.799 1.00 0.00 C ATOM 972 O VAL A 92 -13.001 -10.192 6.277 1.00 0.00 O ATOM 973 CB VAL A 92 -9.898 -10.622 7.005 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.927 -9.326 6.191 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.670 -10.553 7.931 1.00 0.00 C ATOM 0 H VAL A 92 -11.126 -12.899 8.260 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.477 -9.959 8.303 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.801 -11.488 6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.972 -9.194 5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.727 -9.378 5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.102 -8.482 6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.774 -10.379 7.335 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.797 -9.737 8.643 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.569 -11.494 8.472 1.00 0.00 H new ATOM 985 N VAL A 93 -12.778 -12.389 6.587 1.00 0.00 N ATOM 986 CA VAL A 93 -13.765 -12.831 5.609 1.00 0.00 C ATOM 987 C VAL A 93 -14.661 -13.862 6.304 1.00 0.00 C ATOM 988 O VAL A 93 -14.331 -14.396 7.364 1.00 0.00 O ATOM 989 CB VAL A 93 -12.982 -13.358 4.379 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.768 -14.207 3.362 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.306 -12.183 3.651 1.00 0.00 C ATOM 0 H VAL A 93 -12.384 -13.165 7.119 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.426 -12.046 5.243 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.258 -14.052 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.105 -14.511 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.166 -15.093 3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.591 -13.619 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.757 -12.558 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.066 -11.475 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.616 -11.683 4.330 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.833 -14.103 5.720 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.911 -14.917 6.280 1.00 0.00 C ATOM 1003 C ARG A 94 -17.551 -15.655 5.115 1.00 0.00 C ATOM 1004 O ARG A 94 -17.484 -15.170 3.990 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.866 -13.975 7.043 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.258 -14.531 7.400 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.033 -13.614 8.362 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.127 -12.220 7.871 1.00 0.00 N ATOM 1009 CZ ARG A 94 -20.416 -11.148 8.624 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -20.933 -11.295 9.840 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -20.180 -9.930 8.147 1.00 0.00 N ATOM 0 H ARG A 94 -16.068 -13.720 4.804 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.579 -15.666 6.999 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.375 -13.671 7.968 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -18.004 -13.075 6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.837 -14.665 6.486 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.146 -15.516 7.854 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.037 -14.012 8.507 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.544 -13.620 9.336 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.958 -12.062 6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -21.113 -12.229 10.208 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.149 -10.474 10.405 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.782 -9.816 7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.397 -9.110 8.713 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.176 -16.797 5.352 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.820 -17.589 4.314 1.00 0.00 C ATOM 1027 C ILE A 95 -20.088 -18.236 4.878 1.00 0.00 C ATOM 1028 O ILE A 95 -20.173 -18.505 6.077 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.843 -18.646 3.740 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.306 -19.620 4.810 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.664 -17.990 2.997 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.356 -20.685 4.258 1.00 0.00 C ATOM 0 H ILE A 95 -18.252 -17.206 6.283 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.104 -16.937 3.488 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.432 -19.228 3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.788 -19.049 5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.149 -20.114 5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -16.002 -18.764 2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -17.044 -17.390 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.111 -17.351 3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -16.022 -21.331 5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.875 -21.283 3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.493 -20.201 3.801 1.00 0.00 H new ATOM 1044 N GLU A 96 -21.045 -18.524 3.995 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.227 -19.327 4.282 1.00 0.00 C ATOM 1046 C GLU A 96 -22.317 -20.383 3.182 1.00 0.00 C ATOM 1047 O GLU A 96 -22.677 -20.071 2.045 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.499 -18.462 4.339 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.523 -17.484 5.520 1.00 0.00 C ATOM 1050 CD GLU A 96 -24.930 -16.890 5.725 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -25.410 -16.120 4.857 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -25.564 -17.191 6.765 1.00 0.00 O ATOM 0 H GLU A 96 -21.015 -18.193 3.031 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.144 -19.797 5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.588 -17.899 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.370 -19.115 4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -23.207 -17.998 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.808 -16.680 5.344 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.935 -21.623 3.498 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.166 -22.773 2.631 1.00 0.00 C ATOM 1061 C ALA A 97 -23.639 -23.162 2.796 1.00 0.00 C ATOM 1062 O ALA A 97 -24.067 -23.549 3.889 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.217 -23.918 3.003 1.00 0.00 C ATOM 0 H ALA A 97 -21.455 -21.855 4.367 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.963 -22.538 1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.400 -24.770 2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.185 -23.587 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.390 -24.212 4.038 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.631 -22.024 -1.884 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.160 -21.187 -0.788 1.00 0.00 C ATOM 1139 C ILE A 103 -21.167 -19.746 -1.255 1.00 0.00 C ATOM 1140 O ILE A 103 -20.722 -19.463 -2.364 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.791 -21.690 -0.247 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.125 -20.723 0.756 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.803 -22.129 -1.335 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.216 -19.656 0.124 1.00 0.00 C ATOM 0 HA ILE A 103 -21.826 -21.252 0.072 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.056 -22.591 0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.906 -20.221 1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.537 -21.306 1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.876 -22.465 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.236 -22.946 -1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.594 -21.289 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.795 -19.026 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.409 -20.143 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.799 -19.041 -0.562 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.616 -18.851 -0.380 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.661 -17.411 -0.572 1.00 0.00 C ATOM 1158 C VAL A 104 -20.592 -16.827 0.347 1.00 0.00 C ATOM 1159 O VAL A 104 -20.488 -17.228 1.505 1.00 0.00 O ATOM 1160 CB VAL A 104 -23.082 -16.893 -0.237 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.230 -15.432 -0.689 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.202 -17.732 -0.886 1.00 0.00 C ATOM 0 H VAL A 104 -21.978 -19.130 0.532 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.460 -17.115 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.192 -16.977 0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.232 -15.077 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.494 -14.815 -0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -23.069 -15.366 -1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.172 -17.317 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -24.091 -17.711 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -24.135 -18.762 -0.535 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.769 -15.916 -0.171 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.662 -15.299 0.553 1.00 0.00 C ATOM 1174 C CYS A 105 -19.059 -13.892 0.993 1.00 0.00 C ATOM 1175 O CYS A 105 -19.787 -13.223 0.262 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.428 -15.213 -0.364 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.214 -16.707 -1.373 1.00 0.00 S ATOM 0 H CYS A 105 -19.857 -15.579 -1.130 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.425 -15.904 1.429 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.524 -14.346 -1.018 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.537 -15.057 0.244 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.101 -16.720 -2.323 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.514 -13.424 2.120 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.801 -12.130 2.739 1.00 0.00 C ATOM 1185 C TYR A 106 -17.544 -11.566 3.385 1.00 0.00 C ATOM 1186 O TYR A 106 -16.579 -12.297 3.605 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.852 -12.329 3.836 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.212 -12.731 3.326 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -22.047 -11.758 2.747 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.638 -14.070 3.433 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.343 -12.102 2.339 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.927 -14.428 2.998 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.794 -13.439 2.465 1.00 0.00 C ATOM 1194 OH TYR A 106 -25.059 -13.758 2.070 1.00 0.00 O ATOM 0 H TYR A 106 -17.829 -13.964 2.649 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.160 -11.443 1.973 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.497 -13.092 4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.948 -11.403 4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.690 -10.747 2.617 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.978 -14.818 3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.998 -11.348 1.928 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.256 -15.454 3.070 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.217 -14.714 2.219 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.550 -10.281 3.736 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.455 -9.672 4.487 1.00 0.00 C ATOM 1206 C ALA A 107 -16.719 -9.798 5.986 1.00 0.00 C ATOM 1207 O ALA A 107 -17.842 -10.074 6.410 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.318 -8.197 4.107 1.00 0.00 C ATOM 0 H ALA A 107 -18.308 -9.637 3.510 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.527 -10.190 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.499 -7.750 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.111 -8.114 3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.246 -7.674 4.338 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.685 -9.520 6.777 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.764 -9.414 8.239 1.00 0.00 C ATOM 1216 C VAL A 108 -14.895 -8.267 8.794 1.00 0.00 C ATOM 1217 O VAL A 108 -15.249 -7.701 9.831 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.457 -10.805 8.863 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.378 -10.846 9.955 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.739 -11.407 9.453 1.00 0.00 C ATOM 0 H VAL A 108 -14.746 -9.358 6.414 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.777 -9.137 8.531 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.059 -11.378 8.026 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.257 -11.870 10.309 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.433 -10.489 9.546 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.677 -10.208 10.786 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.517 -12.381 9.888 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.130 -10.745 10.226 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.483 -11.523 8.665 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.800 -7.881 8.122 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.935 -6.764 8.514 1.00 0.00 C ATOM 1232 C ALA A 109 -12.320 -6.135 7.262 1.00 0.00 C ATOM 1233 O ALA A 109 -11.416 -5.277 7.397 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.850 -7.242 9.491 1.00 0.00 C ATOM 1235 OXT ALA A 109 -12.773 -6.487 6.151 1.00 0.00 O ATOM 0 H ALA A 109 -13.486 -8.349 7.272 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.527 -6.007 9.028 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.217 -6.400 9.772 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.320 -7.656 10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.242 -8.010 9.012 1.00 0.00 H new