USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 646 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 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -104:sc= -1.04 (180deg=-3.02!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 98:sc= 1.06 USER MOD Single : A 44 MET CE :methyl 158:sc= -0.0632 (180deg=-0.447) USER MOD Single : A 47 HIS : no HE2:sc= 0.352 K(o=0.35,f=-2.5!) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.145 F(o=-0.67,f=-0.15) USER MOD Single : A 52 SER OG : rot 51:sc= 1.09 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0645 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -1.84 K(o=-1.8,f=-8.9!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.009 X(o=-0.009,f=-0.22) USER MOD Single : A 88 SER OG : rot -153:sc= -0.262 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 6.908 -21.903 4.957 1.00 0.00 N ATOM 2 CA MET A 15 7.109 -22.763 3.751 1.00 0.00 C ATOM 3 C MET A 15 6.259 -22.283 2.569 1.00 0.00 C ATOM 4 O MET A 15 6.782 -22.033 1.484 1.00 0.00 O ATOM 5 CB MET A 15 6.757 -24.213 4.111 1.00 0.00 C ATOM 6 CG MET A 15 7.219 -25.229 3.078 1.00 0.00 C ATOM 7 SD MET A 15 5.988 -25.520 1.795 1.00 0.00 S ATOM 8 CE MET A 15 5.942 -27.310 1.769 1.00 0.00 C ATOM 0 HA MET A 15 8.153 -22.699 3.444 1.00 0.00 H new ATOM 0 HB2 MET A 15 7.205 -24.458 5.074 1.00 0.00 H new ATOM 0 HB3 MET A 15 5.677 -24.296 4.232 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.143 -24.879 2.617 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.448 -26.171 3.577 1.00 0.00 H new ATOM 0 HE1 MET A 15 5.223 -27.645 1.021 1.00 0.00 H new ATOM 0 HE2 MET A 15 6.931 -27.696 1.520 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.645 -27.681 2.750 1.00 0.00 H new ATOM 18 N MET A 16 4.950 -22.145 2.794 1.00 0.00 N ATOM 19 CA MET A 16 4.031 -21.684 1.749 1.00 0.00 C ATOM 20 C MET A 16 4.355 -20.245 1.330 1.00 0.00 C ATOM 21 O MET A 16 4.900 -19.468 2.116 1.00 0.00 O ATOM 22 CB MET A 16 2.579 -21.777 2.236 1.00 0.00 C ATOM 23 CG MET A 16 2.291 -20.955 3.488 1.00 0.00 C ATOM 24 SD MET A 16 2.478 -21.913 5.005 1.00 0.00 S ATOM 25 CE MET A 16 1.444 -20.978 6.129 1.00 0.00 C ATOM 0 H MET A 16 4.503 -22.345 3.689 1.00 0.00 H new ATOM 0 HA MET A 16 4.155 -22.331 0.880 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.916 -21.446 1.436 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.340 -22.821 2.436 1.00 0.00 H new ATOM 0 HG2 MET A 16 2.964 -20.098 3.518 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.276 -20.561 3.434 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.458 -21.448 7.112 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.822 -19.959 6.209 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.422 -20.957 5.751 1.00 0.00 H new ATOM 35 N LYS A 17 4.016 -19.901 0.086 1.00 0.00 N ATOM 36 CA LYS A 17 4.275 -18.556 -0.438 1.00 0.00 C ATOM 37 C LYS A 17 3.474 -18.288 -1.720 1.00 0.00 C ATOM 38 O LYS A 17 3.968 -18.497 -2.829 1.00 0.00 O ATOM 39 CB LYS A 17 5.777 -18.370 -0.697 1.00 0.00 C ATOM 40 CG LYS A 17 6.402 -19.471 -1.544 1.00 0.00 C ATOM 41 CD LYS A 17 7.325 -18.896 -2.612 1.00 0.00 C ATOM 42 CE LYS A 17 8.150 -19.984 -3.282 1.00 0.00 C ATOM 43 NZ LYS A 17 8.910 -19.461 -4.457 1.00 0.00 N ATOM 0 H LYS A 17 3.563 -20.531 -0.576 1.00 0.00 H new ATOM 0 HA LYS A 17 3.950 -17.835 0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.934 -17.412 -1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.297 -18.323 0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.964 -20.150 -0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.615 -20.058 -2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.733 -18.373 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.990 -18.160 -2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.846 -20.409 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.493 -20.792 -3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.460 -20.233 -4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.244 -19.078 -5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.556 -18.708 -4.145 1.00 0.00 H new ATOM 57 N LEU A 18 2.236 -17.821 -1.559 1.00 0.00 N ATOM 58 CA LEU A 18 1.367 -17.520 -2.701 1.00 0.00 C ATOM 59 C LEU A 18 0.234 -16.573 -2.294 1.00 0.00 C ATOM 60 O LEU A 18 -0.013 -16.366 -1.106 1.00 0.00 O ATOM 61 CB LEU A 18 0.795 -18.815 -3.294 1.00 0.00 C ATOM 62 CG LEU A 18 -0.120 -19.617 -2.363 1.00 0.00 C ATOM 63 CD1 LEU A 18 -1.262 -20.242 -3.147 1.00 0.00 C ATOM 64 CD2 LEU A 18 0.671 -20.691 -1.630 1.00 0.00 C ATOM 0 H LEU A 18 1.811 -17.642 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 18 1.968 -17.022 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.238 -18.566 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.625 -19.453 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.540 -18.934 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.902 -20.808 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.846 -19.457 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.858 -20.910 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.004 -21.250 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.120 -21.370 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.456 -20.223 -1.036 1.00 0.00 H new ATOM 76 N GLY A 19 -0.444 -15.994 -3.286 1.00 0.00 N ATOM 77 CA GLY A 19 -1.538 -15.071 -3.006 1.00 0.00 C ATOM 78 C GLY A 19 -2.886 -15.600 -3.461 1.00 0.00 C ATOM 79 O GLY A 19 -3.837 -15.634 -2.683 1.00 0.00 O ATOM 0 H GLY A 19 -0.256 -16.147 -4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.574 -14.872 -1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.340 -14.120 -3.501 1.00 0.00 H new ATOM 83 N LEU A 20 -2.966 -16.007 -4.728 1.00 0.00 N ATOM 84 CA LEU A 20 -4.209 -16.535 -5.288 1.00 0.00 C ATOM 85 C LEU A 20 -4.080 -18.024 -5.620 1.00 0.00 C ATOM 86 O LEU A 20 -4.840 -18.846 -5.107 1.00 0.00 O ATOM 87 CB LEU A 20 -4.608 -15.744 -6.541 1.00 0.00 C ATOM 88 CG LEU A 20 -5.887 -14.914 -6.407 1.00 0.00 C ATOM 89 CD1 LEU A 20 -7.091 -15.815 -6.191 1.00 0.00 C ATOM 90 CD2 LEU A 20 -5.761 -13.915 -5.267 1.00 0.00 C ATOM 0 H LEU A 20 -2.186 -15.981 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.990 -16.424 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.788 -15.078 -6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.732 -16.443 -7.368 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.032 -14.362 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.990 -15.205 -6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.197 -16.491 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.951 -16.397 -5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.680 -13.335 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.588 -14.449 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.924 -13.244 -5.462 1.00 0.00 H new ATOM 102 N VAL A 21 -3.117 -18.367 -6.483 1.00 0.00 N ATOM 103 CA VAL A 21 -2.904 -19.765 -6.874 1.00 0.00 C ATOM 104 C VAL A 21 -1.444 -20.037 -7.262 1.00 0.00 C ATOM 105 O VAL A 21 -0.658 -20.508 -6.435 1.00 0.00 O ATOM 106 CB VAL A 21 -3.839 -20.198 -8.035 1.00 0.00 C ATOM 107 CG1 VAL A 21 -4.971 -21.065 -7.511 1.00 0.00 C ATOM 108 CG2 VAL A 21 -4.400 -18.991 -8.778 1.00 0.00 C ATOM 0 H VAL A 21 -2.478 -17.703 -6.920 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.148 -20.360 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.245 -20.780 -8.739 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.617 -21.359 -8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.558 -21.956 -7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.552 -20.502 -6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.050 -19.330 -9.584 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.972 -18.372 -8.087 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.580 -18.407 -9.195 1.00 0.00 H new ATOM 118 N ARG A 22 -1.081 -19.756 -8.519 1.00 0.00 N ATOM 119 CA ARG A 22 0.286 -19.993 -8.996 1.00 0.00 C ATOM 120 C ARG A 22 0.761 -18.893 -9.956 1.00 0.00 C ATOM 121 O ARG A 22 1.240 -19.181 -11.055 1.00 0.00 O ATOM 122 CB ARG A 22 0.375 -21.364 -9.685 1.00 0.00 C ATOM 123 CG ARG A 22 0.151 -22.546 -8.753 1.00 0.00 C ATOM 124 CD ARG A 22 1.295 -22.709 -7.766 1.00 0.00 C ATOM 125 NE ARG A 22 0.812 -23.097 -6.437 1.00 0.00 N ATOM 126 CZ ARG A 22 0.775 -24.347 -5.979 1.00 0.00 C ATOM 127 NH1 ARG A 22 1.157 -25.356 -6.739 1.00 0.00 N ATOM 128 NH2 ARG A 22 0.338 -24.586 -4.760 1.00 0.00 N ATOM 0 H ARG A 22 -1.711 -19.367 -9.220 1.00 0.00 H new ATOM 0 HA ARG A 22 0.942 -19.977 -8.126 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.362 -21.403 -10.487 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.357 -21.462 -10.149 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.783 -22.408 -8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.045 -23.458 -9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.990 -23.463 -8.135 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.849 -21.773 -7.693 1.00 0.00 H new ATOM 0 HE ARG A 22 0.481 -22.356 -5.819 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.485 -25.183 -7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.124 -26.309 -6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.029 -23.815 -4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.309 -25.543 -4.407 1.00 0.00 H new ATOM 142 N PHE A 23 0.638 -17.631 -9.539 1.00 0.00 N ATOM 143 CA PHE A 23 1.071 -16.504 -10.373 1.00 0.00 C ATOM 144 C PHE A 23 1.266 -15.226 -9.542 1.00 0.00 C ATOM 145 O PHE A 23 0.724 -14.168 -9.863 1.00 0.00 O ATOM 146 CB PHE A 23 0.075 -16.273 -11.525 1.00 0.00 C ATOM 147 CG PHE A 23 -1.266 -15.727 -11.107 1.00 0.00 C ATOM 148 CD1 PHE A 23 -2.131 -16.481 -10.333 1.00 0.00 C ATOM 149 CD2 PHE A 23 -1.659 -14.457 -11.498 1.00 0.00 C ATOM 150 CE1 PHE A 23 -3.362 -15.980 -9.958 1.00 0.00 C ATOM 151 CE2 PHE A 23 -2.889 -13.950 -11.126 1.00 0.00 C ATOM 152 CZ PHE A 23 -3.743 -14.714 -10.355 1.00 0.00 C ATOM 0 H PHE A 23 0.246 -17.363 -8.636 1.00 0.00 H new ATOM 0 HA PHE A 23 2.040 -16.758 -10.803 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.524 -15.584 -12.241 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.080 -17.218 -12.046 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.840 -17.472 -10.019 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.995 -13.856 -12.101 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.027 -16.579 -9.354 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.182 -12.958 -11.437 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.706 -14.322 -10.064 1.00 0.00 H new ATOM 162 N SER A 24 2.060 -15.335 -8.474 1.00 0.00 N ATOM 163 CA SER A 24 2.348 -14.200 -7.588 1.00 0.00 C ATOM 164 C SER A 24 1.127 -13.826 -6.742 1.00 0.00 C ATOM 165 O SER A 24 0.048 -14.405 -6.895 1.00 0.00 O ATOM 166 CB SER A 24 2.824 -12.988 -8.401 1.00 0.00 C ATOM 167 OG SER A 24 4.004 -13.296 -9.126 1.00 0.00 O ATOM 0 H SER A 24 2.519 -16.204 -8.199 1.00 0.00 H new ATOM 0 HA SER A 24 3.145 -14.504 -6.910 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.039 -12.677 -9.091 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.012 -12.148 -7.732 1.00 0.00 H new ATOM 0 HG SER A 24 4.288 -12.510 -9.638 1.00 0.00 H new ATOM 173 N MET A 25 1.305 -12.862 -5.838 1.00 0.00 N ATOM 174 CA MET A 25 0.222 -12.418 -4.958 1.00 0.00 C ATOM 175 C MET A 25 -0.479 -11.176 -5.520 1.00 0.00 C ATOM 176 O MET A 25 -0.414 -10.093 -4.934 1.00 0.00 O ATOM 177 CB MET A 25 0.764 -12.130 -3.550 1.00 0.00 C ATOM 178 CG MET A 25 1.492 -13.307 -2.917 1.00 0.00 C ATOM 179 SD MET A 25 3.282 -13.201 -3.104 1.00 0.00 S ATOM 180 CE MET A 25 3.743 -12.441 -1.550 1.00 0.00 C ATOM 0 H MET A 25 2.189 -12.373 -5.695 1.00 0.00 H new ATOM 0 HA MET A 25 -0.513 -13.221 -4.899 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.444 -11.279 -3.600 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.065 -11.838 -2.905 1.00 0.00 H new ATOM 0 HG2 MET A 25 1.244 -13.355 -1.857 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.138 -14.233 -3.369 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.979 -11.390 -1.715 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.915 -12.521 -0.846 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.616 -12.949 -1.141 1.00 0.00 H new ATOM 190 N LEU A 26 -1.154 -11.337 -6.659 1.00 0.00 N ATOM 191 CA LEU A 26 -1.866 -10.224 -7.296 1.00 0.00 C ATOM 192 C LEU A 26 -2.930 -9.617 -6.369 1.00 0.00 C ATOM 193 O LEU A 26 -3.270 -8.440 -6.505 1.00 0.00 O ATOM 194 CB LEU A 26 -2.489 -10.663 -8.638 1.00 0.00 C ATOM 195 CG LEU A 26 -3.748 -11.549 -8.575 1.00 0.00 C ATOM 196 CD1 LEU A 26 -3.501 -12.807 -7.759 1.00 0.00 C ATOM 197 CD2 LEU A 26 -4.939 -10.778 -8.023 1.00 0.00 C ATOM 0 H LEU A 26 -1.224 -12.223 -7.159 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.131 -9.445 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.736 -9.766 -9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.727 -11.199 -9.205 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.983 -11.851 -9.596 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.409 -13.409 -7.735 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.695 -13.383 -8.214 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.221 -12.532 -6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.812 -11.430 -7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.711 -10.428 -7.016 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.149 -9.923 -8.666 1.00 0.00 H new ATOM 209 N LEU A 27 -3.444 -10.419 -5.429 1.00 0.00 N ATOM 210 CA LEU A 27 -4.465 -9.959 -4.478 1.00 0.00 C ATOM 211 C LEU A 27 -4.087 -8.615 -3.844 1.00 0.00 C ATOM 212 O LEU A 27 -4.950 -7.764 -3.614 1.00 0.00 O ATOM 213 CB LEU A 27 -4.672 -11.013 -3.383 1.00 0.00 C ATOM 214 CG LEU A 27 -6.132 -11.322 -3.042 1.00 0.00 C ATOM 215 CD1 LEU A 27 -6.230 -12.601 -2.228 1.00 0.00 C ATOM 216 CD2 LEU A 27 -6.758 -10.164 -2.284 1.00 0.00 C ATOM 0 H LEU A 27 -3.169 -11.393 -5.306 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.394 -9.817 -5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.185 -11.937 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.168 -10.676 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.680 -11.462 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.275 -12.805 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.818 -13.431 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.667 -12.487 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.796 -10.401 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.207 -9.994 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.721 -9.264 -2.899 1.00 0.00 H new ATOM 228 N ALA A 28 -2.793 -8.434 -3.559 1.00 0.00 N ATOM 229 CA ALA A 28 -2.290 -7.198 -2.945 1.00 0.00 C ATOM 230 C ALA A 28 -2.787 -5.942 -3.673 1.00 0.00 C ATOM 231 O ALA A 28 -3.088 -4.925 -3.036 1.00 0.00 O ATOM 232 CB ALA A 28 -0.768 -7.224 -2.905 1.00 0.00 C ATOM 0 H ALA A 28 -2.071 -9.131 -3.744 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.681 -7.151 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.400 -6.305 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.434 -8.079 -2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.379 -7.306 -3.920 1.00 0.00 H new ATOM 238 N LEU A 29 -2.883 -6.019 -5.003 1.00 0.00 N ATOM 239 CA LEU A 29 -3.355 -4.890 -5.810 1.00 0.00 C ATOM 240 C LEU A 29 -4.674 -4.343 -5.261 1.00 0.00 C ATOM 241 O LEU A 29 -4.889 -3.128 -5.238 1.00 0.00 O ATOM 242 CB LEU A 29 -3.522 -5.306 -7.276 1.00 0.00 C ATOM 243 CG LEU A 29 -2.941 -4.328 -8.302 1.00 0.00 C ATOM 244 CD1 LEU A 29 -3.639 -2.981 -8.215 1.00 0.00 C ATOM 245 CD2 LEU A 29 -1.443 -4.166 -8.096 1.00 0.00 C ATOM 0 H LEU A 29 -2.641 -6.850 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.606 -4.100 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.050 -6.278 -7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.585 -5.435 -7.482 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.110 -4.737 -9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.211 -2.301 -8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.703 -3.109 -8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.504 -2.565 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.048 -3.468 -8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.253 -3.781 -7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.953 -5.133 -8.212 1.00 0.00 H new ATOM 257 N ALA A 30 -5.544 -5.244 -4.797 1.00 0.00 N ATOM 258 CA ALA A 30 -6.826 -4.848 -4.222 1.00 0.00 C ATOM 259 C ALA A 30 -6.611 -3.906 -3.039 1.00 0.00 C ATOM 260 O ALA A 30 -7.341 -2.923 -2.872 1.00 0.00 O ATOM 261 CB ALA A 30 -7.615 -6.078 -3.800 1.00 0.00 C ATOM 0 H ALA A 30 -5.381 -6.251 -4.810 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.401 -4.315 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.569 -5.769 -3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.794 -6.711 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.048 -6.636 -3.055 1.00 0.00 H new ATOM 267 N LEU A 31 -5.580 -4.196 -2.238 1.00 0.00 N ATOM 268 CA LEU A 31 -5.239 -3.361 -1.092 1.00 0.00 C ATOM 269 C LEU A 31 -4.718 -2.018 -1.587 1.00 0.00 C ATOM 270 O LEU A 31 -5.121 -0.968 -1.089 1.00 0.00 O ATOM 271 CB LEU A 31 -4.191 -4.057 -0.209 1.00 0.00 C ATOM 272 CG LEU A 31 -3.688 -3.245 0.994 1.00 0.00 C ATOM 273 CD1 LEU A 31 -2.596 -2.274 0.570 1.00 0.00 C ATOM 274 CD2 LEU A 31 -4.832 -2.499 1.664 1.00 0.00 C ATOM 0 H LEU A 31 -4.970 -5.004 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.131 -3.199 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.615 -4.991 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.335 -4.319 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.267 -3.943 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.254 -1.709 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.759 -2.830 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.991 -1.586 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.449 -1.932 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.290 -1.816 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.578 -3.214 2.012 1.00 0.00 H new ATOM 286 N VAL A 32 -3.844 -2.060 -2.599 1.00 0.00 N ATOM 287 CA VAL A 32 -3.298 -0.836 -3.185 1.00 0.00 C ATOM 288 C VAL A 32 -4.438 0.062 -3.668 1.00 0.00 C ATOM 289 O VAL A 32 -4.501 1.246 -3.324 1.00 0.00 O ATOM 290 CB VAL A 32 -2.345 -1.140 -4.366 1.00 0.00 C ATOM 291 CG1 VAL A 32 -1.863 0.145 -5.026 1.00 0.00 C ATOM 292 CG2 VAL A 32 -1.160 -1.971 -3.894 1.00 0.00 C ATOM 0 H VAL A 32 -3.503 -2.922 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.724 -0.327 -2.411 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.901 -1.713 -5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.195 -0.099 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.719 0.703 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.329 0.752 -4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.500 -2.176 -4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.612 -1.421 -3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.519 -2.912 -3.477 1.00 0.00 H new ATOM 302 N VAL A 33 -5.355 -0.522 -4.447 1.00 0.00 N ATOM 303 CA VAL A 33 -6.513 0.208 -4.955 1.00 0.00 C ATOM 304 C VAL A 33 -7.308 0.804 -3.793 1.00 0.00 C ATOM 305 O VAL A 33 -7.600 2.003 -3.780 1.00 0.00 O ATOM 306 CB VAL A 33 -7.434 -0.704 -5.797 1.00 0.00 C ATOM 307 CG1 VAL A 33 -8.763 -0.020 -6.088 1.00 0.00 C ATOM 308 CG2 VAL A 33 -6.746 -1.101 -7.094 1.00 0.00 C ATOM 0 H VAL A 33 -5.314 -1.499 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.145 1.007 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.637 -1.605 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.391 -0.684 -6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.266 0.212 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.584 0.902 -6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.408 -1.743 -7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.511 -0.206 -7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.825 -1.639 -6.868 1.00 0.00 H new ATOM 318 N LEU A 34 -7.630 -0.038 -2.806 1.00 0.00 N ATOM 319 CA LEU A 34 -8.367 0.406 -1.623 1.00 0.00 C ATOM 320 C LEU A 34 -7.645 1.576 -0.956 1.00 0.00 C ATOM 321 O LEU A 34 -8.259 2.597 -0.644 1.00 0.00 O ATOM 322 CB LEU A 34 -8.531 -0.751 -0.628 1.00 0.00 C ATOM 323 CG LEU A 34 -9.885 -0.815 0.085 1.00 0.00 C ATOM 324 CD1 LEU A 34 -10.096 0.418 0.947 1.00 0.00 C ATOM 325 CD2 LEU A 34 -11.015 -0.957 -0.924 1.00 0.00 C ATOM 0 H LEU A 34 -7.391 -1.030 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.357 0.738 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.374 -1.690 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.746 -0.675 0.124 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.888 -1.692 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.064 0.353 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.306 0.478 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.070 1.309 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.969 -1.001 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.011 -0.100 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.876 -1.872 -1.500 1.00 0.00 H new ATOM 337 N ALA A 35 -6.330 1.426 -0.761 1.00 0.00 N ATOM 338 CA ALA A 35 -5.513 2.474 -0.155 1.00 0.00 C ATOM 339 C ALA A 35 -5.645 3.777 -0.941 1.00 0.00 C ATOM 340 O ALA A 35 -5.942 4.828 -0.368 1.00 0.00 O ATOM 341 CB ALA A 35 -4.055 2.037 -0.082 1.00 0.00 C ATOM 0 H ALA A 35 -5.811 0.586 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.871 2.648 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.460 2.829 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.976 1.133 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.685 1.836 -1.087 1.00 0.00 H new ATOM 347 N ILE A 36 -5.445 3.697 -2.258 1.00 0.00 N ATOM 348 CA ILE A 36 -5.563 4.867 -3.126 1.00 0.00 C ATOM 349 C ILE A 36 -6.962 5.479 -3.008 1.00 0.00 C ATOM 350 O ILE A 36 -7.106 6.690 -2.828 1.00 0.00 O ATOM 351 CB ILE A 36 -5.279 4.517 -4.607 1.00 0.00 C ATOM 352 CG1 ILE A 36 -3.846 4.002 -4.771 1.00 0.00 C ATOM 353 CG2 ILE A 36 -5.508 5.730 -5.498 1.00 0.00 C ATOM 354 CD1 ILE A 36 -3.528 3.532 -6.175 1.00 0.00 C ATOM 0 H ILE A 36 -5.201 2.835 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.815 5.589 -2.797 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.969 3.730 -4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.150 4.795 -4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.683 3.179 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.303 5.464 -6.535 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.543 6.059 -5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.842 6.537 -5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.497 3.181 -6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.199 2.718 -6.447 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.659 4.358 -6.874 1.00 0.00 H new ATOM 366 N VAL A 37 -7.988 4.627 -3.092 1.00 0.00 N ATOM 367 CA VAL A 37 -9.377 5.077 -2.977 1.00 0.00 C ATOM 368 C VAL A 37 -9.597 5.822 -1.660 1.00 0.00 C ATOM 369 O VAL A 37 -10.096 6.948 -1.653 1.00 0.00 O ATOM 370 CB VAL A 37 -10.368 3.894 -3.073 1.00 0.00 C ATOM 371 CG1 VAL A 37 -11.771 4.322 -2.668 1.00 0.00 C ATOM 372 CG2 VAL A 37 -10.376 3.316 -4.479 1.00 0.00 C ATOM 0 H VAL A 37 -7.882 3.623 -3.239 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.566 5.754 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.036 3.121 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.447 3.471 -2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.758 4.684 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.113 5.118 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.079 2.485 -4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.677 4.087 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.377 2.961 -4.732 1.00 0.00 H new ATOM 382 N VAL A 38 -9.204 5.192 -0.550 1.00 0.00 N ATOM 383 CA VAL A 38 -9.344 5.807 0.772 1.00 0.00 C ATOM 384 C VAL A 38 -8.569 7.121 0.839 1.00 0.00 C ATOM 385 O VAL A 38 -9.110 8.149 1.251 1.00 0.00 O ATOM 386 CB VAL A 38 -8.850 4.865 1.894 1.00 0.00 C ATOM 387 CG1 VAL A 38 -8.967 5.537 3.252 1.00 0.00 C ATOM 388 CG2 VAL A 38 -9.628 3.557 1.878 1.00 0.00 C ATOM 0 H VAL A 38 -8.788 4.261 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.406 6.001 0.925 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.799 4.643 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.614 4.856 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.362 6.444 3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.009 5.794 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.265 2.908 2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.688 3.762 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.489 3.063 0.916 1.00 0.00 H new ATOM 398 N GLN A 39 -7.304 7.083 0.413 1.00 0.00 N ATOM 399 CA GLN A 39 -6.453 8.272 0.404 1.00 0.00 C ATOM 400 C GLN A 39 -7.111 9.399 -0.396 1.00 0.00 C ATOM 401 O GLN A 39 -7.152 10.550 0.050 1.00 0.00 O ATOM 402 CB GLN A 39 -5.082 7.933 -0.188 1.00 0.00 C ATOM 403 CG GLN A 39 -4.016 8.985 0.083 1.00 0.00 C ATOM 404 CD GLN A 39 -3.268 9.396 -1.169 1.00 0.00 C ATOM 405 OE1 GLN A 39 -2.181 8.896 -1.448 1.00 0.00 O ATOM 406 NE2 GLN A 39 -3.848 10.310 -1.932 1.00 0.00 N ATOM 0 H GLN A 39 -6.847 6.238 0.069 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.320 8.611 1.431 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.748 6.978 0.218 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.184 7.803 -1.265 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.483 9.864 0.527 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.307 8.598 0.814 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.752 10.700 -1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.391 10.624 -2.788 1.00 0.00 H new ATOM 415 N MET A 40 -7.636 9.056 -1.573 1.00 0.00 N ATOM 416 CA MET A 40 -8.306 10.029 -2.431 1.00 0.00 C ATOM 417 C MET A 40 -9.569 10.566 -1.754 1.00 0.00 C ATOM 418 O MET A 40 -9.739 11.780 -1.620 1.00 0.00 O ATOM 419 CB MET A 40 -8.660 9.393 -3.779 1.00 0.00 C ATOM 420 CG MET A 40 -8.925 10.408 -4.881 1.00 0.00 C ATOM 421 SD MET A 40 -8.675 9.720 -6.528 1.00 0.00 S ATOM 422 CE MET A 40 -8.058 11.155 -7.403 1.00 0.00 C ATOM 0 H MET A 40 -7.609 8.110 -1.953 1.00 0.00 H new ATOM 0 HA MET A 40 -7.625 10.862 -2.602 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.845 8.739 -4.088 1.00 0.00 H new ATOM 0 HB3 MET A 40 -9.543 8.766 -3.655 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.948 10.774 -4.795 1.00 0.00 H new ATOM 0 HG3 MET A 40 -8.267 11.266 -4.746 1.00 0.00 H new ATOM 0 HE1 MET A 40 -7.855 10.889 -8.441 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.804 11.949 -7.371 1.00 0.00 H new ATOM 0 HE3 MET A 40 -7.139 11.501 -6.931 1.00 0.00 H new ATOM 432 N ALA A 41 -10.438 9.653 -1.318 1.00 0.00 N ATOM 433 CA ALA A 41 -11.683 10.026 -0.642 1.00 0.00 C ATOM 434 C ALA A 41 -11.406 10.942 0.551 1.00 0.00 C ATOM 435 O ALA A 41 -11.961 12.041 0.642 1.00 0.00 O ATOM 436 CB ALA A 41 -12.435 8.776 -0.203 1.00 0.00 C ATOM 0 H ALA A 41 -10.303 8.647 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.306 10.578 -1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.359 9.064 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.671 8.168 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.814 8.200 0.483 1.00 0.00 H new ATOM 442 N VAL A 42 -10.529 10.494 1.453 1.00 0.00 N ATOM 443 CA VAL A 42 -10.160 11.284 2.629 1.00 0.00 C ATOM 444 C VAL A 42 -9.654 12.662 2.200 1.00 0.00 C ATOM 445 O VAL A 42 -10.061 13.684 2.756 1.00 0.00 O ATOM 446 CB VAL A 42 -9.080 10.567 3.476 1.00 0.00 C ATOM 447 CG1 VAL A 42 -8.506 11.497 4.538 1.00 0.00 C ATOM 448 CG2 VAL A 42 -9.656 9.317 4.123 1.00 0.00 C ATOM 0 H VAL A 42 -10.062 9.589 1.391 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.051 11.401 3.245 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.269 10.275 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.750 10.966 5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.052 12.363 4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.305 11.828 5.202 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.884 8.825 4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.489 9.593 4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.009 8.636 3.348 1.00 0.00 H new ATOM 458 N THR A 43 -8.785 12.677 1.188 1.00 0.00 N ATOM 459 CA THR A 43 -8.238 13.928 0.655 1.00 0.00 C ATOM 460 C THR A 43 -9.362 14.817 0.125 1.00 0.00 C ATOM 461 O THR A 43 -9.381 16.019 0.374 1.00 0.00 O ATOM 462 CB THR A 43 -7.226 13.644 -0.461 1.00 0.00 C ATOM 463 OG1 THR A 43 -6.205 12.771 -0.010 1.00 0.00 O ATOM 464 CG2 THR A 43 -6.549 14.886 -0.988 1.00 0.00 C ATOM 0 H THR A 43 -8.444 11.837 0.720 1.00 0.00 H new ATOM 0 HA THR A 43 -7.727 14.448 1.465 1.00 0.00 H new ATOM 0 HB THR A 43 -7.811 13.193 -1.263 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.409 11.855 -0.293 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.846 14.611 -1.775 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.299 15.566 -1.392 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.012 15.379 -0.178 1.00 0.00 H new ATOM 472 N MET A 44 -10.305 14.207 -0.599 1.00 0.00 N ATOM 473 CA MET A 44 -11.447 14.935 -1.156 1.00 0.00 C ATOM 474 C MET A 44 -12.283 15.556 -0.036 1.00 0.00 C ATOM 475 O MET A 44 -12.664 16.725 -0.110 1.00 0.00 O ATOM 476 CB MET A 44 -12.313 13.998 -2.004 1.00 0.00 C ATOM 477 CG MET A 44 -11.698 13.657 -3.353 1.00 0.00 C ATOM 478 SD MET A 44 -12.900 12.970 -4.508 1.00 0.00 S ATOM 479 CE MET A 44 -13.897 14.414 -4.867 1.00 0.00 C ATOM 0 H MET A 44 -10.299 13.210 -0.813 1.00 0.00 H new ATOM 0 HA MET A 44 -11.069 15.735 -1.793 1.00 0.00 H new ATOM 0 HB2 MET A 44 -12.487 13.076 -1.449 1.00 0.00 H new ATOM 0 HB3 MET A 44 -13.286 14.462 -2.164 1.00 0.00 H new ATOM 0 HG2 MET A 44 -11.257 14.555 -3.785 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.888 12.942 -3.209 1.00 0.00 H new ATOM 0 HE1 MET A 44 -14.410 14.274 -5.818 1.00 0.00 H new ATOM 0 HE2 MET A 44 -14.633 14.554 -4.075 1.00 0.00 H new ATOM 0 HE3 MET A 44 -13.256 15.293 -4.926 1.00 0.00 H new ATOM 489 N VAL A 45 -12.548 14.768 1.008 1.00 0.00 N ATOM 490 CA VAL A 45 -13.316 15.245 2.157 1.00 0.00 C ATOM 491 C VAL A 45 -12.555 16.359 2.878 1.00 0.00 C ATOM 492 O VAL A 45 -13.114 17.419 3.182 1.00 0.00 O ATOM 493 CB VAL A 45 -13.615 14.099 3.151 1.00 0.00 C ATOM 494 CG1 VAL A 45 -14.279 14.634 4.409 1.00 0.00 C ATOM 495 CG2 VAL A 45 -14.487 13.036 2.499 1.00 0.00 C ATOM 0 H VAL A 45 -12.242 13.798 1.080 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.263 15.632 1.782 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.667 13.641 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.480 13.810 5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.618 15.353 4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -15.217 15.123 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.686 12.239 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -15.430 13.483 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.971 12.624 1.632 1.00 0.00 H new ATOM 505 N LEU A 46 -11.267 16.117 3.133 1.00 0.00 N ATOM 506 CA LEU A 46 -10.415 17.098 3.799 1.00 0.00 C ATOM 507 C LEU A 46 -10.360 18.392 2.989 1.00 0.00 C ATOM 508 O LEU A 46 -9.900 18.402 1.844 1.00 0.00 O ATOM 509 CB LEU A 46 -9.001 16.536 3.993 1.00 0.00 C ATOM 510 CG LEU A 46 -8.380 16.802 5.364 1.00 0.00 C ATOM 511 CD1 LEU A 46 -8.424 15.546 6.222 1.00 0.00 C ATOM 512 CD2 LEU A 46 -6.948 17.291 5.213 1.00 0.00 C ATOM 0 H LEU A 46 -10.793 15.248 2.887 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.841 17.316 4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.029 15.459 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.350 16.960 3.228 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.961 17.580 5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.978 15.754 7.194 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.460 15.234 6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.866 14.749 5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.521 17.476 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.357 16.534 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.938 18.215 4.634 1.00 0.00 H new ATOM 524 N HIS A 47 -10.840 19.481 3.580 1.00 0.00 N ATOM 525 CA HIS A 47 -10.852 20.777 2.903 1.00 0.00 C ATOM 526 C HIS A 47 -9.428 21.324 2.737 1.00 0.00 C ATOM 527 O HIS A 47 -9.036 22.291 3.393 1.00 0.00 O ATOM 528 CB HIS A 47 -11.733 21.764 3.675 1.00 0.00 C ATOM 529 CG HIS A 47 -13.204 21.484 3.556 1.00 0.00 C ATOM 530 ND1 HIS A 47 -13.725 20.228 3.301 1.00 0.00 N ATOM 531 CD2 HIS A 47 -14.269 22.313 3.663 1.00 0.00 C ATOM 532 CE1 HIS A 47 -15.044 20.303 3.256 1.00 0.00 C ATOM 533 NE2 HIS A 47 -15.399 21.554 3.473 1.00 0.00 N ATOM 0 H HIS A 47 -11.226 19.494 4.524 1.00 0.00 H new ATOM 0 HA HIS A 47 -11.271 20.644 1.906 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.452 21.741 4.728 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.534 22.773 3.314 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -13.177 19.378 3.169 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.237 23.374 3.861 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -15.717 19.479 3.072 1.00 0.00 H new ATOM 542 N GLY A 48 -8.661 20.679 1.858 1.00 0.00 N ATOM 543 CA GLY A 48 -7.284 21.082 1.606 1.00 0.00 C ATOM 544 C GLY A 48 -6.400 19.903 1.237 1.00 0.00 C ATOM 545 O GLY A 48 -6.317 18.928 1.986 1.00 0.00 O ATOM 0 H GLY A 48 -8.973 19.877 1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.264 21.816 0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.882 21.572 2.493 1.00 0.00 H new ATOM 549 N GLN A 49 -5.746 19.981 0.080 1.00 0.00 N ATOM 550 CA GLN A 49 -4.871 18.899 -0.380 1.00 0.00 C ATOM 551 C GLN A 49 -3.662 18.727 0.544 1.00 0.00 C ATOM 552 O GLN A 49 -3.217 19.679 1.194 1.00 0.00 O ATOM 553 CB GLN A 49 -4.404 19.164 -1.815 1.00 0.00 C ATOM 554 CG GLN A 49 -5.477 18.902 -2.866 1.00 0.00 C ATOM 555 CD GLN A 49 -5.154 17.724 -3.768 1.00 0.00 C ATOM 556 OE1 GLN A 49 -4.934 16.558 -3.175 1.00 0.00 O flip ATOM 557 NE2 GLN A 49 -5.111 17.859 -4.987 1.00 0.00 N flip ATOM 0 H GLN A 49 -5.803 20.777 -0.555 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.447 17.974 -0.358 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.074 20.200 -1.895 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.538 18.537 -2.028 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.429 18.719 -2.367 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.604 19.796 -3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.286 18.773 -5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.900 17.058 -5.582 1.00 0.00 H new ATOM 566 N VAL A 50 -3.138 17.502 0.600 1.00 0.00 N ATOM 567 CA VAL A 50 -1.981 17.186 1.446 1.00 0.00 C ATOM 568 C VAL A 50 -0.696 17.858 0.938 1.00 0.00 C ATOM 569 O VAL A 50 0.257 17.185 0.539 1.00 0.00 O ATOM 570 CB VAL A 50 -1.759 15.655 1.549 1.00 0.00 C ATOM 571 CG1 VAL A 50 -2.811 15.018 2.442 1.00 0.00 C ATOM 572 CG2 VAL A 50 -1.766 15.006 0.171 1.00 0.00 C ATOM 0 H VAL A 50 -3.496 16.708 0.069 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.206 17.581 2.437 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.779 15.489 1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.637 13.944 2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.751 15.450 3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.801 15.203 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.608 13.932 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.726 15.187 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.968 15.434 -0.437 1.00 0.00 H new ATOM 582 N GLU A 51 -0.679 19.194 0.963 1.00 0.00 N ATOM 583 CA GLU A 51 0.484 19.970 0.512 1.00 0.00 C ATOM 584 C GLU A 51 0.750 19.772 -0.989 1.00 0.00 C ATOM 585 O GLU A 51 1.895 19.828 -1.442 1.00 0.00 O ATOM 586 CB GLU A 51 1.722 19.575 1.332 1.00 0.00 C ATOM 587 CG GLU A 51 2.678 20.731 1.603 1.00 0.00 C ATOM 588 CD GLU A 51 3.971 20.626 0.818 1.00 0.00 C ATOM 589 OE1 GLU A 51 4.611 19.550 0.850 1.00 0.00 O ATOM 590 OE2 GLU A 51 4.348 21.615 0.154 1.00 0.00 O ATOM 0 H GLU A 51 -1.459 19.763 1.291 1.00 0.00 H new ATOM 0 HA GLU A 51 0.268 21.027 0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.396 19.155 2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.260 18.788 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.184 21.670 1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.907 20.764 2.668 1.00 0.00 H new ATOM 597 N SER A 52 -0.314 19.536 -1.758 1.00 0.00 N ATOM 598 CA SER A 52 -0.188 19.326 -3.203 1.00 0.00 C ATOM 599 C SER A 52 -1.475 19.706 -3.938 1.00 0.00 C ATOM 600 O SER A 52 -2.426 18.924 -3.971 1.00 0.00 O ATOM 601 CB SER A 52 0.157 17.858 -3.490 1.00 0.00 C ATOM 602 OG SER A 52 -0.919 16.996 -3.143 1.00 0.00 O ATOM 0 H SER A 52 -1.270 19.485 -1.407 1.00 0.00 H new ATOM 0 HA SER A 52 0.613 19.970 -3.566 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.395 17.738 -4.547 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.048 17.575 -2.929 1.00 0.00 H new ATOM 0 HG SER A 52 -1.747 17.326 -3.550 1.00 0.00 H new ATOM 608 N ILE A 53 -1.499 20.903 -4.526 1.00 0.00 N ATOM 609 CA ILE A 53 -2.681 21.372 -5.258 1.00 0.00 C ATOM 610 C ILE A 53 -2.360 21.690 -6.726 1.00 0.00 C ATOM 611 O ILE A 53 -3.016 21.174 -7.631 1.00 0.00 O ATOM 612 CB ILE A 53 -3.328 22.605 -4.574 1.00 0.00 C ATOM 613 CG1 ILE A 53 -4.552 23.080 -5.362 1.00 0.00 C ATOM 614 CG2 ILE A 53 -2.327 23.743 -4.419 1.00 0.00 C ATOM 615 CD1 ILE A 53 -5.802 22.273 -5.082 1.00 0.00 C ATOM 0 H ILE A 53 -0.721 21.562 -4.511 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.399 20.552 -5.239 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.648 22.299 -3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.744 24.126 -5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.329 23.031 -6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.812 24.591 -3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.488 23.409 -3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.963 24.044 -5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.629 22.665 -5.674 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.629 21.230 -5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.050 22.342 -4.023 1.00 0.00 H new ATOM 627 N ASP A 54 -1.354 22.535 -6.961 1.00 0.00 N ATOM 628 CA ASP A 54 -0.966 22.910 -8.323 1.00 0.00 C ATOM 629 C ASP A 54 0.421 22.356 -8.689 1.00 0.00 C ATOM 630 O ASP A 54 1.146 22.952 -9.490 1.00 0.00 O ATOM 631 CB ASP A 54 -0.979 24.438 -8.470 1.00 0.00 C ATOM 632 CG ASP A 54 -2.312 25.055 -8.100 1.00 0.00 C ATOM 633 OD1 ASP A 54 -3.292 24.847 -8.842 1.00 0.00 O ATOM 634 OD2 ASP A 54 -2.371 25.754 -7.069 1.00 0.00 O ATOM 0 H ASP A 54 -0.794 22.972 -6.228 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.691 22.473 -9.010 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.199 24.865 -7.839 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.736 24.701 -9.500 1.00 0.00 H new ATOM 639 N VAL A 55 0.787 21.216 -8.101 1.00 0.00 N ATOM 640 CA VAL A 55 2.087 20.598 -8.370 1.00 0.00 C ATOM 641 C VAL A 55 2.014 19.071 -8.304 1.00 0.00 C ATOM 642 O VAL A 55 1.450 18.506 -7.364 1.00 0.00 O ATOM 643 CB VAL A 55 3.162 21.105 -7.378 1.00 0.00 C ATOM 644 CG1 VAL A 55 2.830 20.685 -5.952 1.00 0.00 C ATOM 645 CG2 VAL A 55 4.543 20.606 -7.775 1.00 0.00 C ATOM 0 H VAL A 55 0.205 20.704 -7.438 1.00 0.00 H new ATOM 0 HA VAL A 55 2.368 20.888 -9.382 1.00 0.00 H new ATOM 0 HB VAL A 55 3.167 22.194 -7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.601 21.054 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.865 21.103 -5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.786 19.597 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.282 20.975 -7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.550 19.516 -7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.788 20.969 -8.773 1.00 0.00 H new ATOM 655 N ILE A 56 2.592 18.408 -9.307 1.00 0.00 N ATOM 656 CA ILE A 56 2.596 16.944 -9.360 1.00 0.00 C ATOM 657 C ILE A 56 3.564 16.358 -8.329 1.00 0.00 C ATOM 658 O ILE A 56 3.197 15.474 -7.554 1.00 0.00 O ATOM 659 CB ILE A 56 2.979 16.428 -10.768 1.00 0.00 C ATOM 660 CG1 ILE A 56 2.005 16.963 -11.824 1.00 0.00 C ATOM 661 CG2 ILE A 56 3.003 14.904 -10.794 1.00 0.00 C ATOM 662 CD1 ILE A 56 0.565 16.567 -11.579 1.00 0.00 C ATOM 0 H ILE A 56 3.062 18.859 -10.092 1.00 0.00 H new ATOM 0 HA ILE A 56 1.582 16.617 -9.129 1.00 0.00 H new ATOM 0 HB ILE A 56 3.979 16.794 -11.003 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.074 18.050 -11.851 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.311 16.599 -12.805 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.274 14.561 -11.793 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.735 14.539 -10.074 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.016 14.520 -10.534 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.065 16.981 -12.366 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.481 15.480 -11.581 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.241 16.954 -10.613 1.00 0.00 H new ATOM 674 N ARG A 57 4.802 16.859 -8.329 1.00 0.00 N ATOM 675 CA ARG A 57 5.832 16.396 -7.395 1.00 0.00 C ATOM 676 C ARG A 57 5.956 14.864 -7.402 1.00 0.00 C ATOM 677 O ARG A 57 5.980 14.228 -6.346 1.00 0.00 O ATOM 678 CB ARG A 57 5.525 16.906 -5.983 1.00 0.00 C ATOM 679 CG ARG A 57 6.523 17.935 -5.476 1.00 0.00 C ATOM 680 CD ARG A 57 6.463 18.066 -3.962 1.00 0.00 C ATOM 681 NE ARG A 57 6.164 19.439 -3.541 1.00 0.00 N ATOM 682 CZ ARG A 57 5.713 19.769 -2.337 1.00 0.00 C ATOM 683 NH1 ARG A 57 5.542 18.847 -1.409 1.00 0.00 N ATOM 684 NH2 ARG A 57 5.443 21.029 -2.061 1.00 0.00 N ATOM 0 H ARG A 57 5.116 17.589 -8.969 1.00 0.00 H new ATOM 0 HA ARG A 57 6.790 16.801 -7.721 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.527 17.345 -5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.508 16.060 -5.296 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.530 17.647 -5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.316 18.902 -5.935 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.701 17.392 -3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.415 17.754 -3.533 1.00 0.00 H new ATOM 0 HE ARG A 57 6.312 20.188 -4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.757 17.871 -1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.195 19.110 -0.487 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.581 21.748 -2.772 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.096 21.286 -1.137 1.00 0.00 H new ATOM 698 N SER A 58 6.044 14.281 -8.602 1.00 0.00 N ATOM 699 CA SER A 58 6.174 12.824 -8.754 1.00 0.00 C ATOM 700 C SER A 58 7.200 12.252 -7.774 1.00 0.00 C ATOM 701 O SER A 58 6.905 11.314 -7.032 1.00 0.00 O ATOM 702 CB SER A 58 6.567 12.467 -10.192 1.00 0.00 C ATOM 703 OG SER A 58 6.388 11.082 -10.438 1.00 0.00 O ATOM 0 H SER A 58 6.028 14.794 -9.484 1.00 0.00 H new ATOM 0 HA SER A 58 5.204 12.380 -8.529 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.964 13.045 -10.892 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.608 12.740 -10.367 1.00 0.00 H new ATOM 0 HG SER A 58 6.643 10.878 -11.362 1.00 0.00 H new ATOM 709 N ILE A 59 8.402 12.838 -7.765 1.00 0.00 N ATOM 710 CA ILE A 59 9.474 12.401 -6.864 1.00 0.00 C ATOM 711 C ILE A 59 8.980 12.285 -5.419 1.00 0.00 C ATOM 712 O ILE A 59 9.329 11.340 -4.711 1.00 0.00 O ATOM 713 CB ILE A 59 10.679 13.369 -6.911 1.00 0.00 C ATOM 714 CG1 ILE A 59 11.189 13.527 -8.346 1.00 0.00 C ATOM 715 CG2 ILE A 59 11.799 12.875 -6.005 1.00 0.00 C ATOM 716 CD1 ILE A 59 11.051 14.934 -8.883 1.00 0.00 C ATOM 0 H ILE A 59 8.657 13.617 -8.372 1.00 0.00 H new ATOM 0 HA ILE A 59 9.792 11.418 -7.211 1.00 0.00 H new ATOM 0 HB ILE A 59 10.346 14.343 -6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 59 12.238 13.233 -8.385 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.642 12.843 -8.995 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.638 13.569 -6.052 1.00 0.00 H new ATOM 0 HG22 ILE A 59 11.436 12.813 -4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.126 11.889 -6.335 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.432 14.973 -9.904 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.000 15.225 -8.876 1.00 0.00 H new ATOM 0 HD13 ILE A 59 11.621 15.620 -8.257 1.00 0.00 H new ATOM 728 N PHE A 60 8.153 13.246 -4.996 1.00 0.00 N ATOM 729 CA PHE A 60 7.594 13.251 -3.641 1.00 0.00 C ATOM 730 C PHE A 60 6.965 11.898 -3.302 1.00 0.00 C ATOM 731 O PHE A 60 7.089 11.417 -2.172 1.00 0.00 O ATOM 732 CB PHE A 60 6.550 14.365 -3.503 1.00 0.00 C ATOM 733 CG PHE A 60 6.547 15.033 -2.156 1.00 0.00 C ATOM 734 CD1 PHE A 60 7.664 15.715 -1.703 1.00 0.00 C ATOM 735 CD2 PHE A 60 5.424 14.984 -1.346 1.00 0.00 C ATOM 736 CE1 PHE A 60 7.663 16.334 -0.467 1.00 0.00 C ATOM 737 CE2 PHE A 60 5.417 15.599 -0.108 1.00 0.00 C ATOM 738 CZ PHE A 60 6.539 16.276 0.331 1.00 0.00 C ATOM 0 H PHE A 60 7.855 14.032 -5.574 1.00 0.00 H new ATOM 0 HA PHE A 60 8.408 13.435 -2.939 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.732 15.117 -4.270 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.561 13.948 -3.693 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.547 15.764 -2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.544 14.459 -1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.541 16.862 -0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.536 15.551 0.515 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.536 16.759 1.297 1.00 0.00 H new ATOM 748 N PHE A 61 6.305 11.280 -4.292 1.00 0.00 N ATOM 749 CA PHE A 61 5.671 9.974 -4.099 1.00 0.00 C ATOM 750 C PHE A 61 6.632 8.986 -3.439 1.00 0.00 C ATOM 751 O PHE A 61 6.208 8.138 -2.657 1.00 0.00 O ATOM 752 CB PHE A 61 5.170 9.410 -5.433 1.00 0.00 C ATOM 753 CG PHE A 61 3.813 8.771 -5.336 1.00 0.00 C ATOM 754 CD1 PHE A 61 2.663 9.542 -5.400 1.00 0.00 C ATOM 755 CD2 PHE A 61 3.686 7.400 -5.176 1.00 0.00 C ATOM 756 CE1 PHE A 61 1.415 8.959 -5.309 1.00 0.00 C ATOM 757 CE2 PHE A 61 2.438 6.813 -5.081 1.00 0.00 C ATOM 758 CZ PHE A 61 1.302 7.593 -5.148 1.00 0.00 C ATOM 0 H PHE A 61 6.198 11.665 -5.231 1.00 0.00 H new ATOM 0 HA PHE A 61 4.817 10.117 -3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.134 10.214 -6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.885 8.674 -5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.744 10.612 -5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.571 6.784 -5.125 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.527 9.572 -5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.352 5.744 -4.954 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.326 7.136 -5.075 1.00 0.00 H new ATOM 768 N GLY A 62 7.929 9.113 -3.746 1.00 0.00 N ATOM 769 CA GLY A 62 8.936 8.237 -3.160 1.00 0.00 C ATOM 770 C GLY A 62 8.751 8.054 -1.663 1.00 0.00 C ATOM 771 O GLY A 62 8.911 6.950 -1.149 1.00 0.00 O ATOM 0 H GLY A 62 8.298 9.810 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.895 7.264 -3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.927 8.649 -3.352 1.00 0.00 H new ATOM 775 N LEU A 63 8.391 9.132 -0.964 1.00 0.00 N ATOM 776 CA LEU A 63 8.164 9.069 0.482 1.00 0.00 C ATOM 777 C LEU A 63 7.110 8.008 0.815 1.00 0.00 C ATOM 778 O LEU A 63 7.282 7.220 1.749 1.00 0.00 O ATOM 779 CB LEU A 63 7.728 10.439 1.015 1.00 0.00 C ATOM 780 CG LEU A 63 7.445 10.495 2.518 1.00 0.00 C ATOM 781 CD1 LEU A 63 8.696 10.163 3.313 1.00 0.00 C ATOM 782 CD2 LEU A 63 6.918 11.866 2.911 1.00 0.00 C ATOM 0 H LEU A 63 8.251 10.056 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 63 9.100 8.790 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.506 11.166 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.830 10.750 0.481 1.00 0.00 H new ATOM 0 HG LEU A 63 6.683 9.751 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.473 10.209 4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.035 9.159 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.480 10.882 3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.722 11.887 3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.659 12.626 2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.994 12.070 2.370 1.00 0.00 H new ATOM 794 N LEU A 64 6.030 7.979 0.027 1.00 0.00 N ATOM 795 CA LEU A 64 4.953 7.002 0.221 1.00 0.00 C ATOM 796 C LEU A 64 5.497 5.571 0.274 1.00 0.00 C ATOM 797 O LEU A 64 4.876 4.691 0.870 1.00 0.00 O ATOM 798 CB LEU A 64 3.914 7.119 -0.900 1.00 0.00 C ATOM 799 CG LEU A 64 2.753 8.074 -0.621 1.00 0.00 C ATOM 800 CD1 LEU A 64 3.138 9.505 -0.967 1.00 0.00 C ATOM 801 CD2 LEU A 64 1.523 7.650 -1.406 1.00 0.00 C ATOM 0 H LEU A 64 5.878 8.621 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 64 4.478 7.223 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.420 7.445 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.507 6.128 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 64 2.520 8.032 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.298 10.168 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.995 9.807 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.398 9.566 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.704 8.338 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.749 7.666 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.233 6.641 -1.111 1.00 0.00 H new ATOM 813 N ILE A 65 6.659 5.344 -0.352 1.00 0.00 N ATOM 814 CA ILE A 65 7.278 4.020 -0.373 1.00 0.00 C ATOM 815 C ILE A 65 7.391 3.420 1.033 1.00 0.00 C ATOM 816 O ILE A 65 7.225 2.212 1.200 1.00 0.00 O ATOM 817 CB ILE A 65 8.678 4.057 -1.035 1.00 0.00 C ATOM 818 CG1 ILE A 65 8.547 4.347 -2.532 1.00 0.00 C ATOM 819 CG2 ILE A 65 9.418 2.745 -0.817 1.00 0.00 C ATOM 820 CD1 ILE A 65 9.871 4.613 -3.215 1.00 0.00 C ATOM 0 H ILE A 65 7.186 6.062 -0.849 1.00 0.00 H new ATOM 0 HA ILE A 65 6.623 3.384 -0.969 1.00 0.00 H new ATOM 0 HB ILE A 65 9.255 4.855 -0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.061 3.500 -3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.896 5.210 -2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.398 2.797 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.541 2.570 0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.846 1.927 -1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 65 9.701 4.811 -4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 65 10.350 5.478 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.517 3.742 -3.108 1.00 0.00 H new ATOM 832 N THR A 66 7.665 4.253 2.047 1.00 0.00 N ATOM 833 CA THR A 66 7.787 3.750 3.422 1.00 0.00 C ATOM 834 C THR A 66 6.465 3.144 3.902 1.00 0.00 C ATOM 835 O THR A 66 6.386 1.935 4.136 1.00 0.00 O ATOM 836 CB THR A 66 8.258 4.844 4.392 1.00 0.00 C ATOM 837 OG1 THR A 66 8.798 5.951 3.696 1.00 0.00 O ATOM 838 CG2 THR A 66 9.314 4.365 5.363 1.00 0.00 C ATOM 0 H THR A 66 7.804 5.258 1.945 1.00 0.00 H new ATOM 0 HA THR A 66 8.546 2.968 3.411 1.00 0.00 H new ATOM 0 HB THR A 66 7.365 5.129 4.948 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.088 6.632 4.339 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.603 5.185 6.020 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.914 3.546 5.960 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.187 4.018 4.810 1.00 0.00 H new ATOM 846 N PRO A 67 5.396 3.963 4.043 1.00 0.00 N ATOM 847 CA PRO A 67 4.083 3.469 4.483 1.00 0.00 C ATOM 848 C PRO A 67 3.529 2.401 3.538 1.00 0.00 C ATOM 849 O PRO A 67 2.943 1.410 3.984 1.00 0.00 O ATOM 850 CB PRO A 67 3.194 4.721 4.473 1.00 0.00 C ATOM 851 CG PRO A 67 3.907 5.698 3.601 1.00 0.00 C ATOM 852 CD PRO A 67 5.371 5.413 3.775 1.00 0.00 C ATOM 0 HA PRO A 67 4.134 2.989 5.460 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.201 4.496 4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.059 5.117 5.480 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.608 5.583 2.559 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.672 6.723 3.889 1.00 0.00 H new ATOM 0 HD2 PRO A 67 5.941 5.668 2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.798 5.983 4.600 1.00 0.00 H new ATOM 860 N TRP A 68 3.737 2.601 2.232 1.00 0.00 N ATOM 861 CA TRP A 68 3.275 1.645 1.225 1.00 0.00 C ATOM 862 C TRP A 68 3.980 0.302 1.400 1.00 0.00 C ATOM 863 O TRP A 68 3.329 -0.742 1.434 1.00 0.00 O ATOM 864 CB TRP A 68 3.512 2.189 -0.188 1.00 0.00 C ATOM 865 CG TRP A 68 2.366 1.934 -1.119 1.00 0.00 C ATOM 866 CD1 TRP A 68 2.187 0.841 -1.918 1.00 0.00 C ATOM 867 CD2 TRP A 68 1.238 2.787 -1.343 1.00 0.00 C ATOM 868 NE1 TRP A 68 1.015 0.965 -2.628 1.00 0.00 N ATOM 869 CE2 TRP A 68 0.415 2.151 -2.290 1.00 0.00 C ATOM 870 CE3 TRP A 68 0.845 4.027 -0.832 1.00 0.00 C ATOM 871 CZ2 TRP A 68 -0.776 2.716 -2.738 1.00 0.00 C ATOM 872 CZ3 TRP A 68 -0.339 4.586 -1.276 1.00 0.00 C ATOM 873 CH2 TRP A 68 -1.138 3.930 -2.221 1.00 0.00 C ATOM 0 H TRP A 68 4.221 3.414 1.850 1.00 0.00 H new ATOM 0 HA TRP A 68 2.204 1.497 1.362 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.694 3.262 -0.131 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.413 1.734 -0.599 1.00 0.00 H new ATOM 0 HD1 TRP A 68 2.865 0.003 -1.983 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.652 0.286 -3.297 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.455 4.539 -0.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -1.393 2.213 -3.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -0.653 5.544 -0.888 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -2.058 4.392 -2.548 1.00 0.00 H new ATOM 884 N ALA A 69 5.310 0.337 1.529 1.00 0.00 N ATOM 885 CA ALA A 69 6.090 -0.883 1.726 1.00 0.00 C ATOM 886 C ALA A 69 5.614 -1.623 2.972 1.00 0.00 C ATOM 887 O ALA A 69 5.386 -2.832 2.935 1.00 0.00 O ATOM 888 CB ALA A 69 7.575 -0.557 1.830 1.00 0.00 C ATOM 0 H ALA A 69 5.864 1.193 1.500 1.00 0.00 H new ATOM 0 HA ALA A 69 5.942 -1.532 0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.140 -1.477 1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.906 -0.070 0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.743 0.110 2.675 1.00 0.00 H new ATOM 894 N VAL A 70 5.447 -0.882 4.071 1.00 0.00 N ATOM 895 CA VAL A 70 4.976 -1.465 5.327 1.00 0.00 C ATOM 896 C VAL A 70 3.608 -2.123 5.137 1.00 0.00 C ATOM 897 O VAL A 70 3.437 -3.310 5.426 1.00 0.00 O ATOM 898 CB VAL A 70 4.888 -0.403 6.447 1.00 0.00 C ATOM 899 CG1 VAL A 70 4.189 -0.965 7.677 1.00 0.00 C ATOM 900 CG2 VAL A 70 6.274 0.109 6.811 1.00 0.00 C ATOM 0 H VAL A 70 5.631 0.120 4.115 1.00 0.00 H new ATOM 0 HA VAL A 70 5.702 -2.221 5.625 1.00 0.00 H new ATOM 0 HB VAL A 70 4.297 0.433 6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.140 -0.198 8.450 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.179 -1.277 7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.747 -1.823 8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.190 0.855 7.601 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.888 -0.721 7.160 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.737 0.560 5.933 1.00 0.00 H new ATOM 910 N TYR A 71 2.640 -1.351 4.635 1.00 0.00 N ATOM 911 CA TYR A 71 1.291 -1.867 4.392 1.00 0.00 C ATOM 912 C TYR A 71 1.335 -3.081 3.463 1.00 0.00 C ATOM 913 O TYR A 71 0.754 -4.124 3.763 1.00 0.00 O ATOM 914 CB TYR A 71 0.401 -0.776 3.788 1.00 0.00 C ATOM 915 CG TYR A 71 -0.675 -0.284 4.728 1.00 0.00 C ATOM 916 CD1 TYR A 71 -0.434 0.772 5.596 1.00 0.00 C ATOM 917 CD2 TYR A 71 -1.933 -0.878 4.750 1.00 0.00 C ATOM 918 CE1 TYR A 71 -1.414 1.225 6.459 1.00 0.00 C ATOM 919 CE2 TYR A 71 -2.917 -0.428 5.610 1.00 0.00 C ATOM 920 CZ TYR A 71 -2.652 0.621 6.461 1.00 0.00 C ATOM 921 OH TYR A 71 -3.629 1.067 7.319 1.00 0.00 O ATOM 0 H TYR A 71 2.765 -0.369 4.390 1.00 0.00 H new ATOM 0 HA TYR A 71 0.869 -2.177 5.348 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.025 0.067 3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.068 -1.161 2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.536 1.248 5.597 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.144 -1.703 4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.210 2.048 7.128 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.890 -0.897 5.614 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.442 0.535 7.193 1.00 0.00 H new ATOM 931 N PHE A 72 2.037 -2.936 2.340 1.00 0.00 N ATOM 932 CA PHE A 72 2.174 -4.016 1.367 1.00 0.00 C ATOM 933 C PHE A 72 2.777 -5.261 2.016 1.00 0.00 C ATOM 934 O PHE A 72 2.264 -6.362 1.841 1.00 0.00 O ATOM 935 CB PHE A 72 3.041 -3.567 0.186 1.00 0.00 C ATOM 936 CG PHE A 72 2.682 -4.232 -1.114 1.00 0.00 C ATOM 937 CD1 PHE A 72 3.048 -5.545 -1.362 1.00 0.00 C ATOM 938 CD2 PHE A 72 1.981 -3.541 -2.088 1.00 0.00 C ATOM 939 CE1 PHE A 72 2.721 -6.156 -2.557 1.00 0.00 C ATOM 940 CE2 PHE A 72 1.651 -4.147 -3.286 1.00 0.00 C ATOM 941 CZ PHE A 72 2.022 -5.456 -3.520 1.00 0.00 C ATOM 0 H PHE A 72 2.521 -2.076 2.082 1.00 0.00 H new ATOM 0 HA PHE A 72 1.179 -4.266 0.999 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.949 -2.487 0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.086 -3.775 0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.595 -6.097 -0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.689 -2.517 -1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.012 -7.180 -2.738 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.104 -3.597 -4.038 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.766 -5.932 -4.455 1.00 0.00 H new ATOM 951 N LEU A 73 3.864 -5.078 2.768 1.00 0.00 N ATOM 952 CA LEU A 73 4.529 -6.193 3.446 1.00 0.00 C ATOM 953 C LEU A 73 3.598 -6.850 4.465 1.00 0.00 C ATOM 954 O LEU A 73 3.364 -8.058 4.408 1.00 0.00 O ATOM 955 CB LEU A 73 5.816 -5.714 4.132 1.00 0.00 C ATOM 956 CG LEU A 73 7.019 -6.648 3.974 1.00 0.00 C ATOM 957 CD1 LEU A 73 8.254 -5.861 3.570 1.00 0.00 C ATOM 958 CD2 LEU A 73 7.275 -7.414 5.261 1.00 0.00 C ATOM 0 H LEU A 73 4.302 -4.170 2.923 1.00 0.00 H new ATOM 0 HA LEU A 73 4.789 -6.937 2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.080 -4.735 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.615 -5.581 5.195 1.00 0.00 H new ATOM 0 HG LEU A 73 6.794 -7.367 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.099 -6.541 3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.070 -5.357 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.480 -5.120 4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.134 -8.072 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.478 -6.711 6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.397 -8.009 5.511 1.00 0.00 H new ATOM 970 N SER A 74 3.061 -6.048 5.389 1.00 0.00 N ATOM 971 CA SER A 74 2.145 -6.557 6.416 1.00 0.00 C ATOM 972 C SER A 74 0.949 -7.259 5.775 1.00 0.00 C ATOM 973 O SER A 74 0.652 -8.419 6.082 1.00 0.00 O ATOM 974 CB SER A 74 1.667 -5.417 7.324 1.00 0.00 C ATOM 975 OG SER A 74 1.752 -5.784 8.692 1.00 0.00 O ATOM 0 H SER A 74 3.244 -5.046 5.448 1.00 0.00 H new ATOM 0 HA SER A 74 2.686 -7.283 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.271 -4.527 7.145 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.637 -5.158 7.077 1.00 0.00 H new ATOM 0 HG SER A 74 1.443 -5.040 9.250 1.00 0.00 H new ATOM 981 N VAL A 75 0.274 -6.557 4.861 1.00 0.00 N ATOM 982 CA VAL A 75 -0.872 -7.131 4.163 1.00 0.00 C ATOM 983 C VAL A 75 -0.449 -8.390 3.411 1.00 0.00 C ATOM 984 O VAL A 75 -1.134 -9.408 3.478 1.00 0.00 O ATOM 985 CB VAL A 75 -1.521 -6.123 3.188 1.00 0.00 C ATOM 986 CG1 VAL A 75 -2.585 -6.800 2.337 1.00 0.00 C ATOM 987 CG2 VAL A 75 -2.122 -4.956 3.958 1.00 0.00 C ATOM 0 H VAL A 75 0.501 -5.600 4.591 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.619 -7.388 4.914 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.745 -5.743 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.027 -6.070 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.131 -7.604 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.360 -7.211 2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.576 -4.254 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.883 -5.327 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.339 -4.451 4.523 1.00 0.00 H new ATOM 997 N VAL A 76 0.700 -8.332 2.728 1.00 0.00 N ATOM 998 CA VAL A 76 1.225 -9.492 2.006 1.00 0.00 C ATOM 999 C VAL A 76 1.352 -10.669 2.966 1.00 0.00 C ATOM 1000 O VAL A 76 0.946 -11.782 2.645 1.00 0.00 O ATOM 1001 CB VAL A 76 2.595 -9.199 1.343 1.00 0.00 C ATOM 1002 CG1 VAL A 76 3.463 -10.449 1.277 1.00 0.00 C ATOM 1003 CG2 VAL A 76 2.396 -8.622 -0.049 1.00 0.00 C ATOM 0 H VAL A 76 1.281 -7.496 2.661 1.00 0.00 H new ATOM 0 HA VAL A 76 0.525 -9.733 1.206 1.00 0.00 H new ATOM 0 HB VAL A 76 3.113 -8.466 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.416 -10.206 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.641 -10.822 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.954 -11.215 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.367 -8.421 -0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.849 -9.337 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.829 -7.694 0.020 1.00 0.00 H new ATOM 1013 N VAL A 77 1.887 -10.403 4.163 1.00 0.00 N ATOM 1014 CA VAL A 77 2.023 -11.439 5.186 1.00 0.00 C ATOM 1015 C VAL A 77 0.661 -12.081 5.445 1.00 0.00 C ATOM 1016 O VAL A 77 0.512 -13.301 5.357 1.00 0.00 O ATOM 1017 CB VAL A 77 2.588 -10.866 6.509 1.00 0.00 C ATOM 1018 CG1 VAL A 77 2.627 -11.934 7.592 1.00 0.00 C ATOM 1019 CG2 VAL A 77 3.977 -10.280 6.291 1.00 0.00 C ATOM 0 H VAL A 77 2.230 -9.484 4.443 1.00 0.00 H new ATOM 0 HA VAL A 77 2.726 -12.186 4.818 1.00 0.00 H new ATOM 0 HB VAL A 77 1.923 -10.068 6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.028 -11.506 8.511 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.618 -12.305 7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.263 -12.758 7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.356 -9.883 7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.648 -11.059 5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.922 -9.478 5.555 1.00 0.00 H new ATOM 1029 N GLU A 78 -0.342 -11.241 5.722 1.00 0.00 N ATOM 1030 CA GLU A 78 -1.707 -11.726 5.949 1.00 0.00 C ATOM 1031 C GLU A 78 -2.260 -12.371 4.669 1.00 0.00 C ATOM 1032 O GLU A 78 -2.860 -13.449 4.707 1.00 0.00 O ATOM 1033 CB GLU A 78 -2.610 -10.571 6.402 1.00 0.00 C ATOM 1034 CG GLU A 78 -3.308 -10.825 7.734 1.00 0.00 C ATOM 1035 CD GLU A 78 -2.956 -9.802 8.797 1.00 0.00 C ATOM 1036 OE1 GLU A 78 -1.779 -9.750 9.208 1.00 0.00 O ATOM 1037 OE2 GLU A 78 -3.862 -9.056 9.227 1.00 0.00 O ATOM 0 H GLU A 78 -0.236 -10.229 5.794 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.687 -12.480 6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.011 -9.664 6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.364 -10.389 5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.387 -10.821 7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.041 -11.819 8.093 1.00 0.00 H new ATOM 1044 N GLN A 79 -2.038 -11.702 3.532 1.00 0.00 N ATOM 1045 CA GLN A 79 -2.490 -12.192 2.228 1.00 0.00 C ATOM 1046 C GLN A 79 -1.842 -13.537 1.890 1.00 0.00 C ATOM 1047 O GLN A 79 -2.495 -14.424 1.346 1.00 0.00 O ATOM 1048 CB GLN A 79 -2.169 -11.163 1.139 1.00 0.00 C ATOM 1049 CG GLN A 79 -3.142 -9.993 1.108 1.00 0.00 C ATOM 1050 CD GLN A 79 -3.230 -9.337 -0.254 1.00 0.00 C ATOM 1051 OE1 GLN A 79 -2.335 -9.476 -1.084 1.00 0.00 O ATOM 1052 NE2 GLN A 79 -4.314 -8.612 -0.490 1.00 0.00 N ATOM 0 H GLN A 79 -1.543 -10.811 3.491 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.569 -12.338 2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.160 -10.783 1.295 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.176 -11.658 0.168 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.132 -10.342 1.402 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.834 -9.251 1.844 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.034 -8.523 0.227 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.429 -8.144 -1.389 1.00 0.00 H new ATOM 1061 N LEU A 80 -0.558 -13.681 2.231 1.00 0.00 N ATOM 1062 CA LEU A 80 0.177 -14.922 1.986 1.00 0.00 C ATOM 1063 C LEU A 80 -0.587 -16.115 2.564 1.00 0.00 C ATOM 1064 O LEU A 80 -0.728 -17.150 1.911 1.00 0.00 O ATOM 1065 CB LEU A 80 1.577 -14.837 2.614 1.00 0.00 C ATOM 1066 CG LEU A 80 2.638 -15.755 2.000 1.00 0.00 C ATOM 1067 CD1 LEU A 80 2.252 -17.214 2.168 1.00 0.00 C ATOM 1068 CD2 LEU A 80 2.846 -15.422 0.532 1.00 0.00 C ATOM 0 H LEU A 80 -0.006 -12.950 2.679 1.00 0.00 H new ATOM 0 HA LEU A 80 0.279 -15.062 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.927 -13.807 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.493 -15.069 3.676 1.00 0.00 H new ATOM 0 HG LEU A 80 3.578 -15.590 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.020 -17.847 1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.159 -17.446 3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.299 -17.398 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.603 -16.084 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.908 -15.555 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.176 -14.387 0.437 1.00 0.00 H new ATOM 1080 N GLU A 81 -1.088 -15.954 3.789 1.00 0.00 N ATOM 1081 CA GLU A 81 -1.852 -17.009 4.452 1.00 0.00 C ATOM 1082 C GLU A 81 -3.294 -17.038 3.940 1.00 0.00 C ATOM 1083 O GLU A 81 -3.853 -18.110 3.701 1.00 0.00 O ATOM 1084 CB GLU A 81 -1.828 -16.812 5.972 1.00 0.00 C ATOM 1085 CG GLU A 81 -0.447 -17.007 6.590 1.00 0.00 C ATOM 1086 CD GLU A 81 -0.496 -17.297 8.076 1.00 0.00 C ATOM 1087 OE1 GLU A 81 -0.795 -16.365 8.850 1.00 0.00 O ATOM 1088 OE2 GLU A 81 -0.225 -18.453 8.463 1.00 0.00 O ATOM 0 H GLU A 81 -0.978 -15.104 4.341 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.387 -17.967 4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.183 -15.808 6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.525 -17.512 6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.059 -17.828 6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.150 -16.111 6.420 1.00 0.00 H new ATOM 1095 N GLU A 82 -3.890 -15.850 3.769 1.00 0.00 N ATOM 1096 CA GLU A 82 -5.268 -15.730 3.277 1.00 0.00 C ATOM 1097 C GLU A 82 -6.270 -16.404 4.228 1.00 0.00 C ATOM 1098 O GLU A 82 -5.940 -16.713 5.376 1.00 0.00 O ATOM 1099 CB GLU A 82 -5.374 -16.325 1.863 1.00 0.00 C ATOM 1100 CG GLU A 82 -6.131 -15.437 0.877 1.00 0.00 C ATOM 1101 CD GLU A 82 -7.404 -16.076 0.354 1.00 0.00 C ATOM 1102 OE1 GLU A 82 -8.156 -16.656 1.168 1.00 0.00 O ATOM 1103 OE2 GLU A 82 -7.655 -15.991 -0.866 1.00 0.00 O ATOM 0 H GLU A 82 -3.438 -14.957 3.965 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.522 -14.671 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.370 -16.506 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.872 -17.293 1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.379 -14.494 1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.479 -15.200 0.036 1.00 0.00 H new ATOM 1110 N SER A 83 -7.497 -16.627 3.743 1.00 0.00 N ATOM 1111 CA SER A 83 -8.556 -17.265 4.535 1.00 0.00 C ATOM 1112 C SER A 83 -8.652 -16.689 5.957 1.00 0.00 C ATOM 1113 O SER A 83 -8.668 -17.434 6.939 1.00 0.00 O ATOM 1114 CB SER A 83 -8.328 -18.778 4.584 1.00 0.00 C ATOM 1115 OG SER A 83 -8.777 -19.399 3.387 1.00 0.00 O ATOM 0 H SER A 83 -7.783 -16.373 2.798 1.00 0.00 H new ATOM 0 HA SER A 83 -9.506 -17.054 4.044 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.268 -18.985 4.730 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.856 -19.202 5.438 1.00 0.00 H new ATOM 0 HG SER A 83 -8.620 -20.365 3.441 1.00 0.00 H new ATOM 1121 N ARG A 84 -8.727 -15.361 6.059 1.00 0.00 N ATOM 1122 CA ARG A 84 -8.831 -14.692 7.359 1.00 0.00 C ATOM 1123 C ARG A 84 -10.164 -13.946 7.494 1.00 0.00 C ATOM 1124 O ARG A 84 -10.992 -14.289 8.338 1.00 0.00 O ATOM 1125 CB ARG A 84 -7.657 -13.722 7.555 1.00 0.00 C ATOM 1126 CG ARG A 84 -7.468 -13.270 8.997 1.00 0.00 C ATOM 1127 CD ARG A 84 -5.998 -13.053 9.321 1.00 0.00 C ATOM 1128 NE ARG A 84 -5.804 -12.349 10.596 1.00 0.00 N ATOM 1129 CZ ARG A 84 -5.913 -11.033 10.754 1.00 0.00 C ATOM 1130 NH1 ARG A 84 -6.317 -10.266 9.761 1.00 0.00 N ATOM 1131 NH2 ARG A 84 -5.637 -10.487 11.920 1.00 0.00 N ATOM 0 H ARG A 84 -8.718 -14.728 5.259 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.792 -15.457 8.135 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.740 -14.201 7.211 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.813 -12.845 6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.020 -12.345 9.166 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.885 -14.018 9.672 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.491 -14.017 9.361 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.532 -12.481 8.519 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.570 -12.908 11.416 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.550 -10.681 8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.396 -9.258 9.895 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.340 -11.073 12.700 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.720 -9.478 12.043 1.00 0.00 H new ATOM 1145 N GLN A 85 -10.359 -12.924 6.656 1.00 0.00 N ATOM 1146 CA GLN A 85 -11.588 -12.124 6.673 1.00 0.00 C ATOM 1147 C GLN A 85 -11.810 -11.426 5.326 1.00 0.00 C ATOM 1148 O GLN A 85 -12.601 -11.888 4.502 1.00 0.00 O ATOM 1149 CB GLN A 85 -11.530 -11.091 7.807 1.00 0.00 C ATOM 1150 CG GLN A 85 -12.214 -11.543 9.091 1.00 0.00 C ATOM 1151 CD GLN A 85 -13.701 -11.247 9.103 1.00 0.00 C ATOM 1152 OE1 GLN A 85 -14.125 -10.129 8.827 1.00 0.00 O ATOM 1153 NE2 GLN A 85 -14.504 -12.251 9.422 1.00 0.00 N ATOM 0 H GLN A 85 -9.679 -12.630 5.955 1.00 0.00 H new ATOM 0 HA GLN A 85 -12.429 -12.795 6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.486 -10.863 8.024 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -11.994 -10.166 7.466 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.061 -12.614 9.221 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.743 -11.049 9.941 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -14.113 -13.166 9.645 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -15.514 -12.109 9.444 1.00 0.00 H new ATOM 1162 N ARG A 86 -11.099 -10.314 5.109 1.00 0.00 N ATOM 1163 CA ARG A 86 -11.204 -9.546 3.864 1.00 0.00 C ATOM 1164 C ARG A 86 -10.285 -8.320 3.895 1.00 0.00 C ATOM 1165 O ARG A 86 -10.146 -7.664 4.929 1.00 0.00 O ATOM 1166 CB ARG A 86 -12.654 -9.104 3.621 1.00 0.00 C ATOM 1167 CG ARG A 86 -13.218 -8.212 4.716 1.00 0.00 C ATOM 1168 CD ARG A 86 -14.240 -7.232 4.163 1.00 0.00 C ATOM 1169 NE ARG A 86 -14.696 -6.284 5.183 1.00 0.00 N ATOM 1170 CZ ARG A 86 -15.742 -5.476 5.041 1.00 0.00 C ATOM 1171 NH1 ARG A 86 -16.435 -5.471 3.917 1.00 0.00 N ATOM 1172 NH2 ARG A 86 -16.088 -4.668 6.023 1.00 0.00 N ATOM 0 H ARG A 86 -10.441 -9.924 5.784 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.890 -10.195 3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.707 -8.573 2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.283 -9.990 3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.682 -8.828 5.486 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.407 -7.663 5.194 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.803 -6.684 3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.095 -7.782 3.771 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.177 -6.241 6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.169 -6.090 3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.237 -4.848 3.815 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.553 -4.663 6.892 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.891 -4.048 5.914 1.00 0.00 H new ATOM 1186 N LEU A 87 -9.654 -8.023 2.759 1.00 0.00 N ATOM 1187 CA LEU A 87 -8.743 -6.878 2.660 1.00 0.00 C ATOM 1188 C LEU A 87 -9.234 -5.848 1.636 1.00 0.00 C ATOM 1189 O LEU A 87 -9.161 -4.643 1.876 1.00 0.00 O ATOM 1190 CB LEU A 87 -7.333 -7.357 2.290 1.00 0.00 C ATOM 1191 CG LEU A 87 -6.211 -6.862 3.208 1.00 0.00 C ATOM 1192 CD1 LEU A 87 -6.216 -5.345 3.293 1.00 0.00 C ATOM 1193 CD2 LEU A 87 -6.343 -7.472 4.594 1.00 0.00 C ATOM 0 H LEU A 87 -9.755 -8.556 1.896 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.717 -6.390 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.326 -8.447 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.114 -7.037 1.271 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.259 -7.179 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.411 -5.015 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.068 -4.924 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.172 -5.006 3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.537 -7.108 5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.303 -7.189 5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.285 -8.558 4.521 1.00 0.00 H new ATOM 1205 N SER A 88 -9.733 -6.330 0.497 1.00 0.00 N ATOM 1206 CA SER A 88 -10.237 -5.450 -0.564 1.00 0.00 C ATOM 1207 C SER A 88 -10.884 -6.258 -1.691 1.00 0.00 C ATOM 1208 O SER A 88 -12.013 -5.971 -2.089 1.00 0.00 O ATOM 1209 CB SER A 88 -9.104 -4.585 -1.118 1.00 0.00 C ATOM 1210 OG SER A 88 -9.604 -3.597 -2.004 1.00 0.00 O ATOM 0 H SER A 88 -9.800 -7.325 0.283 1.00 0.00 H new ATOM 0 HA SER A 88 -10.999 -4.802 -0.131 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.573 -4.106 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.383 -5.215 -1.639 1.00 0.00 H new ATOM 0 HG SER A 88 -8.909 -3.357 -2.652 1.00 0.00 H new ATOM 1216 N ARG A 89 -10.155 -7.274 -2.179 1.00 0.00 N ATOM 1217 CA ARG A 89 -10.631 -8.158 -3.254 1.00 0.00 C ATOM 1218 C ARG A 89 -10.419 -7.534 -4.635 1.00 0.00 C ATOM 1219 O ARG A 89 -11.125 -6.557 -4.970 1.00 0.00 O ATOM 1220 CB ARG A 89 -12.106 -8.530 -3.053 1.00 0.00 C ATOM 1221 CG ARG A 89 -12.326 -9.999 -2.740 1.00 0.00 C ATOM 1222 CD ARG A 89 -12.212 -10.856 -3.989 1.00 0.00 C ATOM 1223 NE ARG A 89 -13.416 -11.660 -4.208 1.00 0.00 N ATOM 1224 CZ ARG A 89 -13.653 -12.368 -5.306 1.00 0.00 C ATOM 1225 NH1 ARG A 89 -12.777 -12.389 -6.293 1.00 0.00 N ATOM 1226 NH2 ARG A 89 -14.770 -13.057 -5.414 1.00 0.00 N ATOM 0 H ARG A 89 -9.221 -7.505 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.037 -9.070 -3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -12.516 -7.929 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -12.663 -8.272 -3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -11.594 -10.329 -2.003 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.311 -10.134 -2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.040 -10.216 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.347 -11.513 -3.901 1.00 0.00 H new ATOM 0 HE ARG A 89 -14.119 -11.677 -3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.909 -11.858 -6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.968 -12.936 -7.133 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -15.451 -13.046 -4.655 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.954 -13.601 -6.257 1.00 0.00 H new TER 1240 ARG A 89