USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 457 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 16 SER OG : rot -151:sc= 1.02 USER MOD Set 1.2: A 46 SER OG : rot 82:sc= 1.26 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0.183 USER MOD Set 2.2: A 37 ASN : amide:sc= 0 K(o=0.18,f=-1.5) USER MOD Set 3.1: A 30 GLN : amide:sc= 0.945 K(o=0.98,f=-0.091) USER MOD Set 3.2: A 33 LYS NZ :NH3+ -133:sc= 0.0346 (180deg=0) USER MOD Set 4.1: A 19 SER OG : rot 24:sc= 0.315 USER MOD Set 4.2: A 41 THR OG1 : rot -150:sc= 0.106 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0788 (180deg=-0.0788) USER MOD Single : A 3 CYS SG : rot 63:sc= 0.651 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= 1.3 (180deg=1.22) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 2.13 (180deg=2.13) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0356 USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= 1.02 (180deg=0.597) USER MOD Single : A 26 SER OG : rot 132:sc= 1.27 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.503 K(o=0.5,f=0) USER MOD Single : A 56 SER OG : rot -150:sc= 0.845 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.173 1.464 -7.779 1.00 0.00 N ATOM 2 CA MET A 1 -7.690 1.106 -6.452 1.00 0.00 C ATOM 3 C MET A 1 -7.382 -0.357 -6.060 1.00 0.00 C ATOM 4 O MET A 1 -7.565 -0.744 -4.904 1.00 0.00 O ATOM 5 CB MET A 1 -9.201 1.413 -6.422 1.00 0.00 C ATOM 6 CG MET A 1 -9.854 1.341 -5.035 1.00 0.00 C ATOM 7 SD MET A 1 -9.135 2.435 -3.775 1.00 0.00 S ATOM 8 CE MET A 1 -10.131 1.942 -2.341 1.00 0.00 C ATOM 0 H1 MET A 1 -7.409 2.455 -7.988 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.140 1.344 -7.793 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.603 0.847 -8.497 1.00 0.00 H new ATOM 0 HA MET A 1 -7.179 1.707 -5.700 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.361 2.411 -6.830 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.711 0.713 -7.083 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.912 1.580 -5.138 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.793 0.313 -4.677 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.823 2.518 -1.468 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.184 2.132 -2.547 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.985 0.880 -2.145 1.00 0.00 H new ATOM 18 N LEU A 2 -6.871 -1.163 -7.000 1.00 0.00 N ATOM 19 CA LEU A 2 -6.471 -2.562 -6.794 1.00 0.00 C ATOM 20 C LEU A 2 -4.956 -2.711 -6.616 1.00 0.00 C ATOM 21 O LEU A 2 -4.161 -2.021 -7.261 1.00 0.00 O ATOM 22 CB LEU A 2 -7.069 -3.477 -7.881 1.00 0.00 C ATOM 23 CG LEU A 2 -6.372 -3.483 -9.261 1.00 0.00 C ATOM 24 CD1 LEU A 2 -7.064 -4.500 -10.170 1.00 0.00 C ATOM 25 CD2 LEU A 2 -6.414 -2.130 -9.978 1.00 0.00 C ATOM 0 H LEU A 2 -6.719 -0.848 -7.958 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.896 -2.900 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.072 -4.498 -7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.110 -3.190 -8.029 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.328 -3.732 -9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.576 -4.508 -11.145 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.998 -5.492 -9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.112 -4.226 -10.291 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.906 -2.211 -10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.451 -1.836 -10.140 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.915 -1.378 -9.366 1.00 0.00 H new ATOM 37 N CYS A 3 -4.567 -3.642 -5.741 1.00 0.00 N ATOM 38 CA CYS A 3 -3.213 -3.775 -5.249 1.00 0.00 C ATOM 39 C CYS A 3 -2.114 -4.013 -6.298 1.00 0.00 C ATOM 40 O CYS A 3 -2.298 -4.741 -7.270 1.00 0.00 O ATOM 41 CB CYS A 3 -3.216 -4.803 -4.096 1.00 0.00 C ATOM 42 SG CYS A 3 -4.690 -4.824 -3.045 1.00 0.00 S ATOM 0 H CYS A 3 -5.207 -4.335 -5.352 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.913 -2.795 -4.878 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.086 -5.797 -4.524 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.348 -4.612 -3.465 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.727 -5.151 -3.758 1.00 0.00 H new ATOM 48 N ALA A 4 -0.924 -3.457 -6.045 1.00 0.00 N ATOM 49 CA ALA A 4 0.256 -3.725 -6.886 1.00 0.00 C ATOM 50 C ALA A 4 0.728 -5.185 -6.741 1.00 0.00 C ATOM 51 O ALA A 4 1.212 -5.814 -7.684 1.00 0.00 O ATOM 52 CB ALA A 4 1.436 -2.851 -6.455 1.00 0.00 C ATOM 0 H ALA A 4 -0.749 -2.820 -5.268 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.044 -3.514 -7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.297 -3.064 -7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.165 -1.800 -6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.688 -3.066 -5.416 1.00 0.00 H new ATOM 58 N ILE A 5 0.617 -5.679 -5.502 1.00 0.00 N ATOM 59 CA ILE A 5 1.188 -6.934 -5.008 1.00 0.00 C ATOM 60 C ILE A 5 0.352 -8.163 -5.400 1.00 0.00 C ATOM 61 O ILE A 5 0.891 -9.085 -6.015 1.00 0.00 O ATOM 62 CB ILE A 5 1.442 -6.774 -3.488 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.597 -5.767 -3.273 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.809 -8.132 -2.859 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.737 -5.268 -1.833 1.00 0.00 C ATOM 0 H ILE A 5 0.096 -5.184 -4.778 1.00 0.00 H new ATOM 0 HA ILE A 5 2.145 -7.134 -5.491 1.00 0.00 H new ATOM 0 HB ILE A 5 0.535 -6.405 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.533 -6.236 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.443 -4.910 -3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.984 -8.003 -1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.991 -8.836 -3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.712 -8.519 -3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.569 -4.567 -1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.817 -4.767 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.924 -6.114 -1.171 1.00 0.00 H new ATOM 77 N SER A 6 -0.955 -8.170 -5.097 1.00 0.00 N ATOM 78 CA SER A 6 -1.869 -9.280 -5.444 1.00 0.00 C ATOM 79 C SER A 6 -3.084 -8.880 -6.285 1.00 0.00 C ATOM 80 O SER A 6 -3.796 -9.755 -6.779 1.00 0.00 O ATOM 81 CB SER A 6 -2.309 -10.089 -4.216 1.00 0.00 C ATOM 82 OG SER A 6 -1.194 -10.580 -3.488 1.00 0.00 O ATOM 0 H SER A 6 -1.414 -7.405 -4.602 1.00 0.00 H new ATOM 0 HA SER A 6 -1.260 -9.919 -6.083 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.921 -9.463 -3.567 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.933 -10.924 -4.534 1.00 0.00 H new ATOM 0 HG SER A 6 -1.509 -11.089 -2.712 1.00 0.00 H new ATOM 88 N GLY A 7 -3.330 -7.579 -6.489 1.00 0.00 N ATOM 89 CA GLY A 7 -4.378 -7.106 -7.408 1.00 0.00 C ATOM 90 C GLY A 7 -5.803 -7.300 -6.898 1.00 0.00 C ATOM 91 O GLY A 7 -6.775 -7.265 -7.653 1.00 0.00 O ATOM 0 H GLY A 7 -2.814 -6.830 -6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.218 -6.046 -7.606 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.272 -7.628 -8.359 1.00 0.00 H new ATOM 95 N LYS A 8 -5.891 -7.543 -5.595 1.00 0.00 N ATOM 96 CA LYS A 8 -7.081 -7.816 -4.800 1.00 0.00 C ATOM 97 C LYS A 8 -7.883 -6.532 -4.530 1.00 0.00 C ATOM 98 O LYS A 8 -7.378 -5.423 -4.712 1.00 0.00 O ATOM 99 CB LYS A 8 -6.508 -8.475 -3.532 1.00 0.00 C ATOM 100 CG LYS A 8 -7.523 -8.786 -2.431 1.00 0.00 C ATOM 101 CD LYS A 8 -6.850 -9.506 -1.261 1.00 0.00 C ATOM 102 CE LYS A 8 -7.875 -9.916 -0.192 1.00 0.00 C ATOM 103 NZ LYS A 8 -8.554 -8.746 0.421 1.00 0.00 N ATOM 0 H LYS A 8 -5.052 -7.555 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.807 -8.462 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.014 -9.404 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.741 -7.820 -3.119 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.981 -7.861 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.324 -9.406 -2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.330 -10.391 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.098 -8.855 -0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.621 -10.571 -0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.373 -10.490 0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.994 -9.031 1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.857 -7.995 0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.287 -8.392 -0.226 1.00 0.00 H new ATOM 117 N VAL A 9 -9.138 -6.680 -4.096 1.00 0.00 N ATOM 118 CA VAL A 9 -9.972 -5.588 -3.557 1.00 0.00 C ATOM 119 C VAL A 9 -9.512 -5.390 -2.099 1.00 0.00 C ATOM 120 O VAL A 9 -9.759 -6.276 -1.271 1.00 0.00 O ATOM 121 CB VAL A 9 -11.475 -5.917 -3.634 1.00 0.00 C ATOM 122 CG1 VAL A 9 -12.323 -4.773 -3.062 1.00 0.00 C ATOM 123 CG2 VAL A 9 -11.913 -6.138 -5.090 1.00 0.00 C ATOM 0 H VAL A 9 -9.618 -7.580 -4.107 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.848 -4.677 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.629 -6.824 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.379 -5.034 -3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.056 -4.609 -2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.137 -3.862 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.978 -6.369 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.722 -5.234 -5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.350 -6.968 -5.517 1.00 0.00 H new ATOM 133 N PRO A 10 -8.781 -4.310 -1.766 1.00 0.00 N ATOM 134 CA PRO A 10 -8.125 -4.185 -0.467 1.00 0.00 C ATOM 135 C PRO A 10 -9.108 -4.040 0.708 1.00 0.00 C ATOM 136 O PRO A 10 -9.987 -3.177 0.704 1.00 0.00 O ATOM 137 CB PRO A 10 -7.194 -2.976 -0.602 1.00 0.00 C ATOM 138 CG PRO A 10 -7.881 -2.107 -1.651 1.00 0.00 C ATOM 139 CD PRO A 10 -8.492 -3.142 -2.593 1.00 0.00 C ATOM 0 HA PRO A 10 -7.577 -5.095 -0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.083 -2.448 0.345 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.195 -3.273 -0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.641 -1.463 -1.209 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.173 -1.458 -2.166 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.400 -2.759 -3.059 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.802 -3.394 -3.398 1.00 0.00 H new ATOM 147 N ARG A 11 -8.923 -4.869 1.744 1.00 0.00 N ATOM 148 CA ARG A 11 -9.594 -4.771 3.059 1.00 0.00 C ATOM 149 C ARG A 11 -9.209 -3.456 3.753 1.00 0.00 C ATOM 150 O ARG A 11 -10.076 -2.734 4.243 1.00 0.00 O ATOM 151 CB ARG A 11 -9.238 -6.020 3.899 1.00 0.00 C ATOM 152 CG ARG A 11 -10.290 -6.493 4.921 1.00 0.00 C ATOM 153 CD ARG A 11 -10.511 -5.578 6.134 1.00 0.00 C ATOM 154 NE ARG A 11 -11.502 -4.517 5.864 1.00 0.00 N ATOM 155 CZ ARG A 11 -12.812 -4.546 6.034 1.00 0.00 C ATOM 156 NH1 ARG A 11 -13.436 -5.590 6.502 1.00 0.00 N ATOM 157 NH2 ARG A 11 -13.529 -3.506 5.725 1.00 0.00 N ATOM 0 H ARG A 11 -8.279 -5.658 1.693 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.677 -4.751 2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.035 -6.843 3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.311 -5.816 4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.242 -6.613 4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.998 -7.479 5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.845 -6.177 6.981 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.563 -5.122 6.420 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.124 -3.644 5.497 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.911 -6.428 6.753 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.449 -5.569 6.617 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.080 -2.670 5.352 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.540 -3.527 5.856 1.00 0.00 H new ATOM 171 N ARG A 12 -7.913 -3.115 3.734 1.00 0.00 N ATOM 172 CA ARG A 12 -7.360 -1.812 4.160 1.00 0.00 C ATOM 173 C ARG A 12 -6.566 -1.160 3.016 1.00 0.00 C ATOM 174 O ARG A 12 -5.377 -1.450 2.894 1.00 0.00 O ATOM 175 CB ARG A 12 -6.502 -1.977 5.429 1.00 0.00 C ATOM 176 CG ARG A 12 -7.335 -2.266 6.687 1.00 0.00 C ATOM 177 CD ARG A 12 -6.478 -2.221 7.961 1.00 0.00 C ATOM 178 NE ARG A 12 -6.030 -0.848 8.297 1.00 0.00 N ATOM 179 CZ ARG A 12 -6.596 0.011 9.124 1.00 0.00 C ATOM 180 NH1 ARG A 12 -7.723 -0.224 9.730 1.00 0.00 N ATOM 181 NH2 ARG A 12 -6.041 1.159 9.371 1.00 0.00 N ATOM 0 H ARG A 12 -7.191 -3.759 3.411 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.186 -1.145 4.406 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.791 -2.789 5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.919 -1.069 5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.141 -1.536 6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.801 -3.247 6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.051 -2.627 8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.606 -2.862 7.831 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.180 -0.528 7.832 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.211 -1.106 9.575 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.118 0.474 10.360 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.158 1.405 8.924 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.488 1.814 10.012 1.00 0.00 H new ATOM 195 N PRO A 13 -7.180 -0.324 2.155 1.00 0.00 N ATOM 196 CA PRO A 13 -6.484 0.417 1.106 1.00 0.00 C ATOM 197 C PRO A 13 -5.390 1.312 1.686 1.00 0.00 C ATOM 198 O PRO A 13 -5.617 2.130 2.578 1.00 0.00 O ATOM 199 CB PRO A 13 -7.552 1.198 0.327 1.00 0.00 C ATOM 200 CG PRO A 13 -8.785 1.146 1.220 1.00 0.00 C ATOM 201 CD PRO A 13 -8.603 -0.190 1.930 1.00 0.00 C ATOM 0 HA PRO A 13 -5.960 -0.257 0.428 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.238 2.225 0.143 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.746 0.745 -0.645 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.817 1.980 1.921 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.709 1.179 0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.152 -0.211 2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.982 -1.011 1.322 1.00 0.00 H new ATOM 209 N VAL A 14 -4.188 1.111 1.168 1.00 0.00 N ATOM 210 CA VAL A 14 -2.919 1.698 1.614 1.00 0.00 C ATOM 211 C VAL A 14 -2.074 2.121 0.409 1.00 0.00 C ATOM 212 O VAL A 14 -2.095 1.478 -0.637 1.00 0.00 O ATOM 213 CB VAL A 14 -2.207 0.674 2.528 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.682 0.645 2.453 1.00 0.00 C ATOM 215 CG2 VAL A 14 -2.562 0.964 3.986 1.00 0.00 C ATOM 0 H VAL A 14 -4.057 0.491 0.369 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.090 2.607 2.192 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.561 -0.291 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.298 -0.111 3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.372 0.404 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.285 1.621 2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.061 0.243 4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.238 1.972 4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.641 0.884 4.121 1.00 0.00 H new ATOM 225 N LEU A 15 -1.329 3.215 0.560 1.00 0.00 N ATOM 226 CA LEU A 15 -0.527 3.876 -0.471 1.00 0.00 C ATOM 227 C LEU A 15 0.892 4.176 0.048 1.00 0.00 C ATOM 228 O LEU A 15 1.121 4.364 1.243 1.00 0.00 O ATOM 229 CB LEU A 15 -1.293 5.164 -0.872 1.00 0.00 C ATOM 230 CG LEU A 15 -0.553 6.214 -1.727 1.00 0.00 C ATOM 231 CD1 LEU A 15 -0.281 5.741 -3.152 1.00 0.00 C ATOM 232 CD2 LEU A 15 -1.384 7.492 -1.826 1.00 0.00 C ATOM 0 H LEU A 15 -1.265 3.693 1.459 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.393 3.237 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.189 4.863 -1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.624 5.653 0.044 1.00 0.00 H new ATOM 0 HG LEU A 15 0.399 6.387 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.241 6.524 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.336 4.843 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.226 5.518 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.852 8.226 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.344 7.267 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.549 7.897 -0.828 1.00 0.00 H new ATOM 244 N SER A 16 1.837 4.255 -0.883 1.00 0.00 N ATOM 245 CA SER A 16 3.204 4.749 -0.706 1.00 0.00 C ATOM 246 C SER A 16 3.500 5.635 -1.923 1.00 0.00 C ATOM 247 O SER A 16 3.314 5.176 -3.058 1.00 0.00 O ATOM 248 CB SER A 16 4.220 3.607 -0.583 1.00 0.00 C ATOM 249 OG SER A 16 5.527 4.118 -0.755 1.00 0.00 O ATOM 0 H SER A 16 1.661 3.958 -1.843 1.00 0.00 H new ATOM 0 HA SER A 16 3.291 5.311 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.130 3.130 0.393 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.016 2.842 -1.332 1.00 0.00 H new ATOM 0 HG SER A 16 6.105 3.419 -1.126 1.00 0.00 H new ATOM 255 N PRO A 17 3.919 6.905 -1.744 1.00 0.00 N ATOM 256 CA PRO A 17 4.055 7.865 -2.847 1.00 0.00 C ATOM 257 C PRO A 17 5.180 7.526 -3.843 1.00 0.00 C ATOM 258 O PRO A 17 5.295 8.172 -4.888 1.00 0.00 O ATOM 259 CB PRO A 17 4.268 9.223 -2.165 1.00 0.00 C ATOM 260 CG PRO A 17 4.920 8.862 -0.833 1.00 0.00 C ATOM 261 CD PRO A 17 4.255 7.534 -0.475 1.00 0.00 C ATOM 0 HA PRO A 17 3.165 7.852 -3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.908 9.874 -2.761 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.325 9.750 -2.019 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.001 8.760 -0.927 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.737 9.623 -0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.927 6.904 0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.363 7.694 0.131 1.00 0.00 H new ATOM 269 N LYS A 18 5.995 6.502 -3.552 1.00 0.00 N ATOM 270 CA LYS A 18 7.062 5.985 -4.414 1.00 0.00 C ATOM 271 C LYS A 18 6.477 5.162 -5.571 1.00 0.00 C ATOM 272 O LYS A 18 6.614 5.559 -6.729 1.00 0.00 O ATOM 273 CB LYS A 18 8.084 5.201 -3.565 1.00 0.00 C ATOM 274 CG LYS A 18 8.913 6.099 -2.618 1.00 0.00 C ATOM 275 CD LYS A 18 8.332 6.340 -1.206 1.00 0.00 C ATOM 276 CE LYS A 18 8.406 5.128 -0.281 1.00 0.00 C ATOM 277 NZ LYS A 18 9.802 4.801 0.077 1.00 0.00 N ATOM 0 H LYS A 18 5.924 5.991 -2.672 1.00 0.00 H new ATOM 0 HA LYS A 18 7.597 6.815 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.556 4.452 -2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.761 4.664 -4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.903 5.655 -2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.050 7.067 -3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.867 7.169 -0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.290 6.646 -1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.834 5.326 0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.944 4.269 -0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.814 3.973 0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.341 4.588 -0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.235 5.612 0.564 1.00 0.00 H new ATOM 291 N SER A 19 5.770 4.067 -5.272 1.00 0.00 N ATOM 292 CA SER A 19 5.081 3.215 -6.263 1.00 0.00 C ATOM 293 C SER A 19 3.702 3.735 -6.707 1.00 0.00 C ATOM 294 O SER A 19 3.149 3.230 -7.686 1.00 0.00 O ATOM 295 CB SER A 19 4.981 1.789 -5.724 1.00 0.00 C ATOM 296 OG SER A 19 6.275 1.210 -5.790 1.00 0.00 O ATOM 0 H SER A 19 5.655 3.736 -4.314 1.00 0.00 H new ATOM 0 HA SER A 19 5.690 3.238 -7.167 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.616 1.793 -4.697 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.271 1.207 -6.312 1.00 0.00 H new ATOM 0 HG SER A 19 6.952 1.919 -5.779 1.00 0.00 H new ATOM 302 N ARG A 20 3.160 4.759 -6.026 1.00 0.00 N ATOM 303 CA ARG A 20 1.973 5.578 -6.370 1.00 0.00 C ATOM 304 C ARG A 20 0.730 4.827 -6.894 1.00 0.00 C ATOM 305 O ARG A 20 0.033 5.292 -7.799 1.00 0.00 O ATOM 306 CB ARG A 20 2.421 6.799 -7.205 1.00 0.00 C ATOM 307 CG ARG A 20 2.831 6.505 -8.662 1.00 0.00 C ATOM 308 CD ARG A 20 3.793 7.566 -9.209 1.00 0.00 C ATOM 309 NE ARG A 20 5.147 7.410 -8.638 1.00 0.00 N ATOM 310 CZ ARG A 20 6.224 8.125 -8.905 1.00 0.00 C ATOM 311 NH1 ARG A 20 6.210 9.141 -9.723 1.00 0.00 N ATOM 312 NH2 ARG A 20 7.353 7.807 -8.348 1.00 0.00 N ATOM 0 H ARG A 20 3.572 5.065 -5.145 1.00 0.00 H new ATOM 0 HA ARG A 20 1.558 5.940 -5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.608 7.525 -7.216 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.263 7.271 -6.699 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.303 5.524 -8.716 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.940 6.464 -9.289 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.843 7.489 -10.295 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.411 8.560 -8.977 1.00 0.00 H new ATOM 0 HE ARG A 20 5.263 6.660 -7.956 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.342 9.411 -10.186 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.067 9.665 -9.900 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.401 7.012 -7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.191 8.353 -8.547 1.00 0.00 H new ATOM 326 N THR A 21 0.418 3.689 -6.275 1.00 0.00 N ATOM 327 CA THR A 21 -0.814 2.888 -6.442 1.00 0.00 C ATOM 328 C THR A 21 -1.371 2.477 -5.069 1.00 0.00 C ATOM 329 O THR A 21 -0.713 2.705 -4.051 1.00 0.00 O ATOM 330 CB THR A 21 -0.552 1.668 -7.341 1.00 0.00 C ATOM 331 OG1 THR A 21 -1.759 1.000 -7.631 1.00 0.00 O ATOM 332 CG2 THR A 21 0.421 0.679 -6.717 1.00 0.00 C ATOM 0 H THR A 21 1.054 3.267 -5.598 1.00 0.00 H new ATOM 0 HA THR A 21 -1.569 3.499 -6.938 1.00 0.00 H new ATOM 0 HB THR A 21 -0.103 2.052 -8.257 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.575 0.227 -8.205 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.569 -0.162 -7.394 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.376 1.173 -6.537 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.016 0.317 -5.772 1.00 0.00 H new ATOM 340 N ILE A 22 -2.567 1.878 -5.004 1.00 0.00 N ATOM 341 CA ILE A 22 -3.229 1.516 -3.746 1.00 0.00 C ATOM 342 C ILE A 22 -3.255 -0.006 -3.638 1.00 0.00 C ATOM 343 O ILE A 22 -3.928 -0.684 -4.412 1.00 0.00 O ATOM 344 CB ILE A 22 -4.636 2.143 -3.634 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.566 3.684 -3.765 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.290 1.753 -2.294 1.00 0.00 C ATOM 347 CD1 ILE A 22 -5.930 4.385 -3.799 1.00 0.00 C ATOM 0 H ILE A 22 -3.107 1.629 -5.833 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.667 1.922 -2.905 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.246 1.757 -4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.989 4.081 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.021 3.934 -4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.281 2.202 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.378 0.668 -2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.674 2.113 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.784 5.461 -3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.505 4.022 -4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.472 4.171 -2.878 1.00 0.00 H new ATOM 359 N PHE A 23 -2.533 -0.529 -2.653 1.00 0.00 N ATOM 360 CA PHE A 23 -2.427 -1.943 -2.275 1.00 0.00 C ATOM 361 C PHE A 23 -3.061 -2.183 -0.912 1.00 0.00 C ATOM 362 O PHE A 23 -3.463 -1.240 -0.230 1.00 0.00 O ATOM 363 CB PHE A 23 -0.968 -2.465 -2.346 1.00 0.00 C ATOM 364 CG PHE A 23 0.102 -1.400 -2.224 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.218 -0.689 -1.029 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.907 -1.055 -3.315 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.031 0.461 -0.971 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.749 0.066 -3.260 1.00 0.00 C ATOM 369 CZ PHE A 23 1.789 0.841 -2.092 1.00 0.00 C ATOM 0 H PHE A 23 -1.963 0.064 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.986 -2.524 -3.008 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.822 -3.198 -1.552 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.831 -2.989 -3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.315 -1.019 -0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.880 -1.659 -4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.071 1.049 -0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.361 0.330 -4.110 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.402 1.729 -2.054 1.00 0.00 H new ATOM 379 N GLU A 24 -3.206 -3.450 -0.519 1.00 0.00 N ATOM 380 CA GLU A 24 -3.714 -3.695 0.833 1.00 0.00 C ATOM 381 C GLU A 24 -2.616 -3.372 1.870 1.00 0.00 C ATOM 382 O GLU A 24 -1.436 -3.626 1.605 1.00 0.00 O ATOM 383 CB GLU A 24 -4.285 -5.102 1.061 1.00 0.00 C ATOM 384 CG GLU A 24 -5.383 -5.089 2.130 1.00 0.00 C ATOM 385 CD GLU A 24 -6.023 -6.473 2.292 1.00 0.00 C ATOM 386 OE1 GLU A 24 -6.878 -6.827 1.447 1.00 0.00 O ATOM 387 OE2 GLU A 24 -5.723 -7.169 3.286 1.00 0.00 O ATOM 0 H GLU A 24 -2.994 -4.277 -1.077 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.565 -3.025 0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.689 -5.489 0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.485 -5.777 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.962 -4.768 3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.148 -4.362 1.859 1.00 0.00 H new ATOM 394 N LYS A 25 -2.982 -2.929 3.083 1.00 0.00 N ATOM 395 CA LYS A 25 -2.063 -2.792 4.223 1.00 0.00 C ATOM 396 C LYS A 25 -1.347 -4.117 4.446 1.00 0.00 C ATOM 397 O LYS A 25 -0.131 -4.153 4.605 1.00 0.00 O ATOM 398 CB LYS A 25 -2.821 -2.362 5.490 1.00 0.00 C ATOM 399 CG LYS A 25 -1.826 -1.997 6.607 1.00 0.00 C ATOM 400 CD LYS A 25 -2.538 -1.335 7.788 1.00 0.00 C ATOM 401 CE LYS A 25 -1.520 -0.872 8.838 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.177 -0.101 9.923 1.00 0.00 N ATOM 0 H LYS A 25 -3.939 -2.652 3.302 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.329 -2.017 4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.459 -1.507 5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.474 -3.169 5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.311 -2.896 6.947 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.065 -1.323 6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.121 -0.483 7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.239 -2.038 8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.011 -1.738 9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.757 -0.256 8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.456 0.409 10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.844 0.581 9.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.692 -0.752 10.549 1.00 0.00 H new ATOM 416 N SER A 26 -2.116 -5.206 4.387 1.00 0.00 N ATOM 417 CA SER A 26 -1.646 -6.570 4.604 1.00 0.00 C ATOM 418 C SER A 26 -0.596 -7.010 3.576 1.00 0.00 C ATOM 419 O SER A 26 0.391 -7.659 3.927 1.00 0.00 O ATOM 420 CB SER A 26 -2.812 -7.569 4.561 1.00 0.00 C ATOM 421 OG SER A 26 -3.937 -7.100 5.280 1.00 0.00 O ATOM 0 H SER A 26 -3.114 -5.158 4.180 1.00 0.00 H new ATOM 0 HA SER A 26 -1.184 -6.567 5.591 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.095 -7.752 3.524 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.488 -8.523 4.977 1.00 0.00 H new ATOM 0 HG SER A 26 -4.743 -7.208 4.733 1.00 0.00 H new ATOM 427 N LEU A 27 -0.799 -6.652 2.300 1.00 0.00 N ATOM 428 CA LEU A 27 0.112 -7.012 1.214 1.00 0.00 C ATOM 429 C LEU A 27 1.418 -6.215 1.328 1.00 0.00 C ATOM 430 O LEU A 27 2.505 -6.780 1.218 1.00 0.00 O ATOM 431 CB LEU A 27 -0.511 -6.757 -0.173 1.00 0.00 C ATOM 432 CG LEU A 27 -1.883 -7.359 -0.530 1.00 0.00 C ATOM 433 CD1 LEU A 27 -2.014 -7.419 -2.038 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.184 -8.734 0.060 1.00 0.00 C ATOM 0 H LEU A 27 -1.603 -6.103 1.996 1.00 0.00 H new ATOM 0 HA LEU A 27 0.313 -8.079 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.590 -5.677 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.201 -7.113 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.617 -6.694 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.982 -7.844 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.934 -6.413 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.220 -8.043 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.175 -9.057 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.440 -9.450 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.152 -8.678 1.148 1.00 0.00 H new ATOM 446 N LEU A 28 1.313 -4.902 1.567 1.00 0.00 N ATOM 447 CA LEU A 28 2.478 -4.030 1.704 1.00 0.00 C ATOM 448 C LEU A 28 3.294 -4.443 2.935 1.00 0.00 C ATOM 449 O LEU A 28 4.510 -4.555 2.846 1.00 0.00 O ATOM 450 CB LEU A 28 2.071 -2.551 1.801 1.00 0.00 C ATOM 451 CG LEU A 28 3.301 -1.619 1.701 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.846 -1.567 0.271 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.934 -0.218 2.181 1.00 0.00 C ATOM 0 H LEU A 28 0.420 -4.419 1.670 1.00 0.00 H new ATOM 0 HA LEU A 28 3.091 -4.142 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.367 -2.313 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.555 -2.375 2.745 1.00 0.00 H new ATOM 0 HG LEU A 28 4.086 -2.022 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.710 -0.903 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.144 -2.568 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.073 -1.193 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.806 0.432 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.131 0.180 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.603 -0.264 3.218 1.00 0.00 H new ATOM 465 N GLU A 29 2.626 -4.724 4.060 1.00 0.00 N ATOM 466 CA GLU A 29 3.243 -5.198 5.307 1.00 0.00 C ATOM 467 C GLU A 29 4.087 -6.459 5.072 1.00 0.00 C ATOM 468 O GLU A 29 5.217 -6.542 5.558 1.00 0.00 O ATOM 469 CB GLU A 29 2.158 -5.439 6.371 1.00 0.00 C ATOM 470 CG GLU A 29 2.731 -5.902 7.716 1.00 0.00 C ATOM 471 CD GLU A 29 1.621 -6.018 8.778 1.00 0.00 C ATOM 472 OE1 GLU A 29 0.974 -7.090 8.871 1.00 0.00 O ATOM 473 OE2 GLU A 29 1.393 -5.044 9.536 1.00 0.00 O ATOM 0 H GLU A 29 1.613 -4.626 4.131 1.00 0.00 H new ATOM 0 HA GLU A 29 3.921 -4.426 5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.593 -4.519 6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.457 -6.188 6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.224 -6.866 7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.490 -5.197 8.054 1.00 0.00 H new ATOM 480 N GLN A 30 3.586 -7.406 4.274 1.00 0.00 N ATOM 481 CA GLN A 30 4.362 -8.584 3.873 1.00 0.00 C ATOM 482 C GLN A 30 5.630 -8.191 3.116 1.00 0.00 C ATOM 483 O GLN A 30 6.729 -8.612 3.474 1.00 0.00 O ATOM 484 CB GLN A 30 3.502 -9.524 3.019 1.00 0.00 C ATOM 485 CG GLN A 30 4.197 -10.849 2.653 1.00 0.00 C ATOM 486 CD GLN A 30 4.758 -11.621 3.852 1.00 0.00 C ATOM 487 OE1 GLN A 30 4.076 -11.907 4.830 1.00 0.00 O ATOM 488 NE2 GLN A 30 6.019 -11.992 3.834 1.00 0.00 N ATOM 0 H GLN A 30 2.641 -7.380 3.891 1.00 0.00 H new ATOM 0 HA GLN A 30 4.665 -9.106 4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.580 -9.746 3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.219 -9.008 2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.485 -11.485 2.127 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.010 -10.639 1.959 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.606 -11.765 3.031 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.411 -12.507 4.623 1.00 0.00 H new ATOM 497 N TYR A 31 5.483 -7.376 2.074 1.00 0.00 N ATOM 498 CA TYR A 31 6.583 -7.030 1.171 1.00 0.00 C ATOM 499 C TYR A 31 7.661 -6.188 1.868 1.00 0.00 C ATOM 500 O TYR A 31 8.867 -6.346 1.644 1.00 0.00 O ATOM 501 CB TYR A 31 6.003 -6.328 -0.061 1.00 0.00 C ATOM 502 CG TYR A 31 7.000 -6.141 -1.186 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.622 -7.260 -1.769 1.00 0.00 C ATOM 504 CD2 TYR A 31 7.313 -4.857 -1.654 1.00 0.00 C ATOM 505 CE1 TYR A 31 8.522 -7.097 -2.841 1.00 0.00 C ATOM 506 CE2 TYR A 31 8.282 -4.693 -2.661 1.00 0.00 C ATOM 507 CZ TYR A 31 8.876 -5.808 -3.276 1.00 0.00 C ATOM 508 OH TYR A 31 9.785 -5.631 -4.276 1.00 0.00 O ATOM 0 H TYR A 31 4.596 -6.935 1.830 1.00 0.00 H new ATOM 0 HA TYR A 31 7.089 -7.942 0.856 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.156 -6.906 -0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.618 -5.353 0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.409 -8.250 -1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.811 -3.994 -1.242 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.941 -7.964 -3.330 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.573 -3.698 -2.965 1.00 0.00 H new ATOM 0 HH TYR A 31 9.904 -4.673 -4.444 1.00 0.00 H new ATOM 518 N VAL A 32 7.232 -5.331 2.794 1.00 0.00 N ATOM 519 CA VAL A 32 8.094 -4.391 3.511 1.00 0.00 C ATOM 520 C VAL A 32 8.786 -5.016 4.741 1.00 0.00 C ATOM 521 O VAL A 32 9.757 -4.473 5.260 1.00 0.00 O ATOM 522 CB VAL A 32 7.288 -3.113 3.834 1.00 0.00 C ATOM 523 CG1 VAL A 32 6.442 -3.257 5.101 1.00 0.00 C ATOM 524 CG2 VAL A 32 8.140 -1.863 4.023 1.00 0.00 C ATOM 0 H VAL A 32 6.253 -5.269 3.073 1.00 0.00 H new ATOM 0 HA VAL A 32 8.926 -4.114 2.863 1.00 0.00 H new ATOM 0 HB VAL A 32 6.661 -2.993 2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.896 -2.331 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.734 -4.076 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.092 -3.467 5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.495 -1.013 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.835 -2.018 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.700 -1.663 3.110 1.00 0.00 H new ATOM 534 N LYS A 33 8.328 -6.191 5.189 1.00 0.00 N ATOM 535 CA LYS A 33 9.022 -7.033 6.192 1.00 0.00 C ATOM 536 C LYS A 33 9.833 -8.161 5.530 1.00 0.00 C ATOM 537 O LYS A 33 10.678 -8.782 6.175 1.00 0.00 O ATOM 538 CB LYS A 33 8.062 -7.511 7.299 1.00 0.00 C ATOM 539 CG LYS A 33 7.184 -8.723 6.949 1.00 0.00 C ATOM 540 CD LYS A 33 6.116 -8.948 8.033 1.00 0.00 C ATOM 541 CE LYS A 33 5.092 -10.028 7.654 1.00 0.00 C ATOM 542 NZ LYS A 33 5.688 -11.389 7.593 1.00 0.00 N ATOM 0 H LYS A 33 7.451 -6.597 4.864 1.00 0.00 H new ATOM 0 HA LYS A 33 9.760 -6.412 6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.651 -7.757 8.183 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.410 -6.681 7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.703 -8.564 5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.805 -9.613 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.606 -9.231 8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.593 -8.010 8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.280 -10.024 8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.654 -9.784 6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.385 -11.862 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.725 -11.315 7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.371 -11.944 8.414 1.00 0.00 H new ATOM 556 N ASP A 34 9.627 -8.376 4.229 1.00 0.00 N ATOM 557 CA ASP A 34 10.419 -9.240 3.345 1.00 0.00 C ATOM 558 C ASP A 34 11.751 -8.570 2.976 1.00 0.00 C ATOM 559 O ASP A 34 12.825 -9.133 3.200 1.00 0.00 O ATOM 560 CB ASP A 34 9.632 -9.530 2.052 1.00 0.00 C ATOM 561 CG ASP A 34 9.239 -11.011 1.922 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.149 -11.866 1.792 1.00 0.00 O ATOM 563 OD2 ASP A 34 8.025 -11.329 1.933 1.00 0.00 O ATOM 0 H ASP A 34 8.858 -7.926 3.733 1.00 0.00 H new ATOM 0 HA ASP A 34 10.622 -10.170 3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.732 -8.915 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.234 -9.240 1.191 1.00 0.00 H new ATOM 568 N THR A 35 11.670 -7.360 2.409 1.00 0.00 N ATOM 569 CA THR A 35 12.825 -6.585 1.909 1.00 0.00 C ATOM 570 C THR A 35 12.772 -5.117 2.320 1.00 0.00 C ATOM 571 O THR A 35 13.803 -4.441 2.358 1.00 0.00 O ATOM 572 CB THR A 35 12.909 -6.623 0.374 1.00 0.00 C ATOM 573 OG1 THR A 35 11.731 -6.084 -0.185 1.00 0.00 O ATOM 574 CG2 THR A 35 13.115 -8.022 -0.201 1.00 0.00 C ATOM 0 H THR A 35 10.781 -6.877 2.280 1.00 0.00 H new ATOM 0 HA THR A 35 13.698 -7.059 2.357 1.00 0.00 H new ATOM 0 HB THR A 35 13.786 -6.031 0.112 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.792 -6.109 -1.163 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.164 -7.965 -1.288 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.046 -8.440 0.183 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.283 -8.662 0.092 1.00 0.00 H new ATOM 582 N GLY A 36 11.572 -4.612 2.627 1.00 0.00 N ATOM 583 CA GLY A 36 11.306 -3.197 2.856 1.00 0.00 C ATOM 584 C GLY A 36 10.987 -2.433 1.571 1.00 0.00 C ATOM 585 O GLY A 36 10.525 -1.303 1.643 1.00 0.00 O ATOM 0 H GLY A 36 10.741 -5.195 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.470 -3.098 3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.173 -2.743 3.336 1.00 0.00 H new ATOM 589 N ASN A 37 11.196 -3.019 0.397 1.00 0.00 N ATOM 590 CA ASN A 37 11.028 -2.320 -0.872 1.00 0.00 C ATOM 591 C ASN A 37 9.576 -1.866 -1.138 1.00 0.00 C ATOM 592 O ASN A 37 8.614 -2.406 -0.594 1.00 0.00 O ATOM 593 CB ASN A 37 11.520 -3.257 -1.989 1.00 0.00 C ATOM 594 CG ASN A 37 13.023 -3.502 -1.986 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.817 -2.767 -1.416 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.465 -4.542 -2.656 1.00 0.00 N ATOM 0 H ASN A 37 11.487 -3.992 0.298 1.00 0.00 H new ATOM 0 HA ASN A 37 11.613 -1.401 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.008 -4.215 -1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.235 -2.835 -2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.466 -4.733 -2.699 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.807 -5.158 -3.133 1.00 0.00 H new ATOM 603 N ASP A 38 9.421 -0.858 -1.993 1.00 0.00 N ATOM 604 CA ASP A 38 8.135 -0.449 -2.573 1.00 0.00 C ATOM 605 C ASP A 38 7.820 -1.397 -3.759 1.00 0.00 C ATOM 606 O ASP A 38 8.709 -1.670 -4.570 1.00 0.00 O ATOM 607 CB ASP A 38 8.220 0.995 -3.050 1.00 0.00 C ATOM 608 CG ASP A 38 8.284 1.984 -1.890 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.258 2.141 -1.181 1.00 0.00 O ATOM 610 OD2 ASP A 38 9.326 2.650 -1.736 1.00 0.00 O ATOM 0 H ASP A 38 10.203 -0.286 -2.312 1.00 0.00 H new ATOM 0 HA ASP A 38 7.341 -0.512 -1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.103 1.117 -3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.353 1.222 -3.671 1.00 0.00 H new ATOM 615 N PRO A 39 6.588 -1.910 -3.925 1.00 0.00 N ATOM 616 CA PRO A 39 6.289 -2.999 -4.870 1.00 0.00 C ATOM 617 C PRO A 39 6.470 -2.746 -6.380 1.00 0.00 C ATOM 618 O PRO A 39 6.385 -3.712 -7.144 1.00 0.00 O ATOM 619 CB PRO A 39 4.858 -3.421 -4.530 1.00 0.00 C ATOM 620 CG PRO A 39 4.238 -2.163 -3.928 1.00 0.00 C ATOM 621 CD PRO A 39 5.404 -1.541 -3.170 1.00 0.00 C ATOM 0 HA PRO A 39 7.045 -3.771 -4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.316 -3.748 -5.418 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.843 -4.251 -3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.853 -1.494 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.405 -2.400 -3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.299 -0.458 -3.106 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.455 -1.917 -2.148 1.00 0.00 H new ATOM 629 N ILE A 40 6.733 -1.517 -6.850 1.00 0.00 N ATOM 630 CA ILE A 40 6.921 -1.209 -8.286 1.00 0.00 C ATOM 631 C ILE A 40 8.262 -0.516 -8.542 1.00 0.00 C ATOM 632 O ILE A 40 8.977 -0.891 -9.474 1.00 0.00 O ATOM 633 CB ILE A 40 5.729 -0.397 -8.842 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.435 -1.242 -8.802 1.00 0.00 C ATOM 635 CG2 ILE A 40 5.988 0.082 -10.285 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.171 -0.385 -8.846 1.00 0.00 C ATOM 0 H ILE A 40 6.823 -0.701 -6.245 1.00 0.00 H new ATOM 0 HA ILE A 40 6.948 -2.154 -8.829 1.00 0.00 H new ATOM 0 HB ILE A 40 5.611 0.481 -8.207 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.431 -1.933 -9.645 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.428 -1.846 -7.895 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.127 0.649 -10.640 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.874 0.717 -10.304 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.146 -0.781 -10.932 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.293 -1.030 -8.815 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.157 0.288 -7.988 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.160 0.200 -9.766 1.00 0.00 H new ATOM 648 N THR A 41 8.631 0.471 -7.721 1.00 0.00 N ATOM 649 CA THR A 41 9.912 1.191 -7.848 1.00 0.00 C ATOM 650 C THR A 41 11.070 0.463 -7.161 1.00 0.00 C ATOM 651 O THR A 41 12.231 0.806 -7.396 1.00 0.00 O ATOM 652 CB THR A 41 9.825 2.630 -7.317 1.00 0.00 C ATOM 653 OG1 THR A 41 9.049 2.662 -6.150 1.00 0.00 O ATOM 654 CG2 THR A 41 9.140 3.560 -8.319 1.00 0.00 C ATOM 0 H THR A 41 8.053 0.798 -6.947 1.00 0.00 H new ATOM 0 HA THR A 41 10.117 1.224 -8.918 1.00 0.00 H new ATOM 0 HB THR A 41 10.847 2.961 -7.135 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.602 3.531 -6.078 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.097 4.569 -7.908 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.706 3.571 -9.251 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.128 3.204 -8.513 1.00 0.00 H new ATOM 662 N ASN A 42 10.774 -0.545 -6.325 1.00 0.00 N ATOM 663 CA ASN A 42 11.677 -1.248 -5.422 1.00 0.00 C ATOM 664 C ASN A 42 12.618 -0.340 -4.618 1.00 0.00 C ATOM 665 O ASN A 42 13.724 -0.743 -4.245 1.00 0.00 O ATOM 666 CB ASN A 42 12.290 -2.465 -6.129 1.00 0.00 C ATOM 667 CG ASN A 42 13.360 -2.165 -7.173 1.00 0.00 C ATOM 668 OD1 ASN A 42 13.173 -2.371 -8.365 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.530 -1.722 -6.771 1.00 0.00 N ATOM 0 H ASN A 42 9.824 -0.911 -6.264 1.00 0.00 H new ATOM 0 HA ASN A 42 11.096 -1.664 -4.599 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.723 -3.119 -5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.487 -3.022 -6.611 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.272 -1.553 -7.450 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.696 -1.547 -5.780 1.00 0.00 H new ATOM 676 N GLU A 43 12.164 0.876 -4.312 1.00 0.00 N ATOM 677 CA GLU A 43 12.917 1.772 -3.423 1.00 0.00 C ATOM 678 C GLU A 43 12.886 1.219 -1.981 1.00 0.00 C ATOM 679 O GLU A 43 11.824 0.779 -1.537 1.00 0.00 O ATOM 680 CB GLU A 43 12.364 3.201 -3.479 1.00 0.00 C ATOM 681 CG GLU A 43 12.542 3.850 -4.861 1.00 0.00 C ATOM 682 CD GLU A 43 13.356 5.156 -4.778 1.00 0.00 C ATOM 683 OE1 GLU A 43 14.610 5.090 -4.751 1.00 0.00 O ATOM 684 OE2 GLU A 43 12.757 6.258 -4.744 1.00 0.00 O ATOM 0 H GLU A 43 11.287 1.264 -4.661 1.00 0.00 H new ATOM 0 HA GLU A 43 13.952 1.813 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.305 3.187 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.866 3.811 -2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.044 3.150 -5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.564 4.058 -5.294 1.00 0.00 H new ATOM 691 N PRO A 44 14.018 1.175 -1.249 1.00 0.00 N ATOM 692 CA PRO A 44 14.084 0.522 0.059 1.00 0.00 C ATOM 693 C PRO A 44 13.325 1.307 1.142 1.00 0.00 C ATOM 694 O PRO A 44 13.484 2.527 1.255 1.00 0.00 O ATOM 695 CB PRO A 44 15.579 0.401 0.376 1.00 0.00 C ATOM 696 CG PRO A 44 16.207 1.559 -0.399 1.00 0.00 C ATOM 697 CD PRO A 44 15.331 1.657 -1.648 1.00 0.00 C ATOM 0 HA PRO A 44 13.599 -0.454 0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.770 0.485 1.446 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.980 -0.560 0.055 1.00 0.00 H new ATOM 0 HG2 PRO A 44 16.192 2.484 0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.248 1.357 -0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.278 2.684 -2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.739 1.055 -2.460 1.00 0.00 H new ATOM 705 N LEU A 45 12.548 0.580 1.959 1.00 0.00 N ATOM 706 CA LEU A 45 11.601 1.066 2.983 1.00 0.00 C ATOM 707 C LEU A 45 10.353 1.722 2.348 1.00 0.00 C ATOM 708 O LEU A 45 10.418 2.380 1.311 1.00 0.00 O ATOM 709 CB LEU A 45 12.264 1.919 4.089 1.00 0.00 C ATOM 710 CG LEU A 45 13.193 1.136 5.045 1.00 0.00 C ATOM 711 CD1 LEU A 45 14.545 0.752 4.434 1.00 0.00 C ATOM 712 CD2 LEU A 45 13.483 1.992 6.278 1.00 0.00 C ATOM 0 H LEU A 45 12.564 -0.439 1.921 1.00 0.00 H new ATOM 0 HA LEU A 45 11.242 0.184 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.840 2.715 3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.481 2.397 4.677 1.00 0.00 H new ATOM 0 HG LEU A 45 12.661 0.215 5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 45 15.135 0.206 5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.383 0.122 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.080 1.654 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.138 1.444 6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.970 2.918 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.548 2.225 6.787 1.00 0.00 H new ATOM 724 N SER A 46 9.195 1.543 2.991 1.00 0.00 N ATOM 725 CA SER A 46 7.851 1.880 2.494 1.00 0.00 C ATOM 726 C SER A 46 6.957 2.354 3.638 1.00 0.00 C ATOM 727 O SER A 46 6.403 3.446 3.606 1.00 0.00 O ATOM 728 CB SER A 46 7.213 0.680 1.793 1.00 0.00 C ATOM 729 OG SER A 46 6.174 1.113 0.947 1.00 0.00 O ATOM 0 H SER A 46 9.165 1.136 3.926 1.00 0.00 H new ATOM 0 HA SER A 46 7.954 2.689 1.771 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.965 0.144 1.214 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.823 -0.019 2.533 1.00 0.00 H new ATOM 0 HG SER A 46 6.551 1.419 0.096 1.00 0.00 H new ATOM 735 N ILE A 47 6.888 1.546 4.697 1.00 0.00 N ATOM 736 CA ILE A 47 6.137 1.762 5.940 1.00 0.00 C ATOM 737 C ILE A 47 6.482 3.042 6.709 1.00 0.00 C ATOM 738 O ILE A 47 5.595 3.693 7.255 1.00 0.00 O ATOM 739 CB ILE A 47 6.253 0.487 6.818 1.00 0.00 C ATOM 740 CG1 ILE A 47 5.255 0.423 7.991 1.00 0.00 C ATOM 741 CG2 ILE A 47 7.676 0.277 7.368 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.812 0.294 7.501 1.00 0.00 C ATOM 0 H ILE A 47 7.391 0.659 4.712 1.00 0.00 H new ATOM 0 HA ILE A 47 5.098 1.933 5.657 1.00 0.00 H new ATOM 0 HB ILE A 47 6.001 -0.317 6.127 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.499 -0.425 8.630 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.353 1.321 8.601 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.702 -0.628 7.975 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.376 0.177 6.538 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.959 1.133 7.981 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.139 0.252 8.358 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.559 1.156 6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.708 -0.618 6.913 1.00 0.00 H new ATOM 754 N GLU A 48 7.738 3.478 6.656 1.00 0.00 N ATOM 755 CA GLU A 48 8.191 4.766 7.191 1.00 0.00 C ATOM 756 C GLU A 48 7.620 5.956 6.397 1.00 0.00 C ATOM 757 O GLU A 48 7.755 7.112 6.810 1.00 0.00 O ATOM 758 CB GLU A 48 9.731 4.821 7.196 1.00 0.00 C ATOM 759 CG GLU A 48 10.390 3.811 8.147 1.00 0.00 C ATOM 760 CD GLU A 48 10.014 4.066 9.621 1.00 0.00 C ATOM 761 OE1 GLU A 48 10.539 5.033 10.228 1.00 0.00 O ATOM 762 OE2 GLU A 48 9.199 3.298 10.187 1.00 0.00 O ATOM 0 H GLU A 48 8.489 2.935 6.230 1.00 0.00 H new ATOM 0 HA GLU A 48 7.819 4.848 8.212 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.094 4.641 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.047 5.826 7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.089 2.801 7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.473 3.864 8.036 1.00 0.00 H new ATOM 769 N GLU A 49 6.960 5.677 5.269 1.00 0.00 N ATOM 770 CA GLU A 49 6.384 6.652 4.336 1.00 0.00 C ATOM 771 C GLU A 49 4.932 6.308 3.943 1.00 0.00 C ATOM 772 O GLU A 49 4.367 6.912 3.027 1.00 0.00 O ATOM 773 CB GLU A 49 7.317 6.804 3.116 1.00 0.00 C ATOM 774 CG GLU A 49 8.661 7.446 3.495 1.00 0.00 C ATOM 775 CD GLU A 49 9.516 7.747 2.252 1.00 0.00 C ATOM 776 OE1 GLU A 49 9.396 8.859 1.682 1.00 0.00 O ATOM 777 OE2 GLU A 49 10.320 6.876 1.843 1.00 0.00 O ATOM 0 H GLU A 49 6.805 4.716 4.966 1.00 0.00 H new ATOM 0 HA GLU A 49 6.315 7.618 4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.496 5.825 2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.825 7.413 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.481 8.369 4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.208 6.779 4.161 1.00 0.00 H new ATOM 784 N ILE A 50 4.313 5.349 4.643 1.00 0.00 N ATOM 785 CA ILE A 50 2.944 4.885 4.400 1.00 0.00 C ATOM 786 C ILE A 50 1.889 5.995 4.531 1.00 0.00 C ATOM 787 O ILE A 50 1.931 6.858 5.413 1.00 0.00 O ATOM 788 CB ILE A 50 2.604 3.678 5.301 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.342 2.949 4.795 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.438 4.080 6.781 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.158 1.560 5.417 1.00 0.00 C ATOM 0 H ILE A 50 4.765 4.861 5.416 1.00 0.00 H new ATOM 0 HA ILE A 50 2.910 4.564 3.359 1.00 0.00 H new ATOM 0 HB ILE A 50 3.451 2.994 5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.465 3.558 5.016 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.397 2.850 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.200 3.197 7.373 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.366 4.521 7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.631 4.807 6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.253 1.100 5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.018 0.936 5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.072 1.655 6.499 1.00 0.00 H new ATOM 803 N VAL A 51 0.904 5.914 3.643 1.00 0.00 N ATOM 804 CA VAL A 51 -0.353 6.675 3.619 1.00 0.00 C ATOM 805 C VAL A 51 -1.533 5.693 3.641 1.00 0.00 C ATOM 806 O VAL A 51 -1.888 5.120 2.612 1.00 0.00 O ATOM 807 CB VAL A 51 -0.407 7.627 2.404 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.680 8.483 2.429 1.00 0.00 C ATOM 809 CG2 VAL A 51 0.791 8.587 2.368 1.00 0.00 C ATOM 0 H VAL A 51 0.962 5.266 2.858 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.414 7.308 4.504 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.390 6.986 1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.691 9.144 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.555 7.834 2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.699 9.080 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.710 9.237 1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.799 9.193 3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.716 8.013 2.308 1.00 0.00 H new ATOM 819 N GLU A 52 -2.132 5.436 4.807 1.00 0.00 N ATOM 820 CA GLU A 52 -3.341 4.596 4.891 1.00 0.00 C ATOM 821 C GLU A 52 -4.570 5.366 4.365 1.00 0.00 C ATOM 822 O GLU A 52 -4.993 6.365 4.956 1.00 0.00 O ATOM 823 CB GLU A 52 -3.581 4.017 6.300 1.00 0.00 C ATOM 824 CG GLU A 52 -2.338 3.440 6.998 1.00 0.00 C ATOM 825 CD GLU A 52 -2.701 2.815 8.358 1.00 0.00 C ATOM 826 OE1 GLU A 52 -3.528 1.871 8.408 1.00 0.00 O ATOM 827 OE2 GLU A 52 -2.125 3.217 9.394 1.00 0.00 O ATOM 0 H GLU A 52 -1.805 5.793 5.705 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.176 3.732 4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.999 4.802 6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.333 3.232 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.877 2.686 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.600 4.229 7.143 1.00 0.00 H new ATOM 834 N ILE A 53 -5.121 4.929 3.226 1.00 0.00 N ATOM 835 CA ILE A 53 -6.265 5.551 2.532 1.00 0.00 C ATOM 836 C ILE A 53 -7.602 5.138 3.179 1.00 0.00 C ATOM 837 O ILE A 53 -8.557 5.920 3.190 1.00 0.00 O ATOM 838 CB ILE A 53 -6.223 5.172 1.029 1.00 0.00 C ATOM 839 CG1 ILE A 53 -4.915 5.615 0.331 1.00 0.00 C ATOM 840 CG2 ILE A 53 -7.437 5.699 0.241 1.00 0.00 C ATOM 841 CD1 ILE A 53 -4.682 7.132 0.295 1.00 0.00 C ATOM 0 H ILE A 53 -4.772 4.102 2.741 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.190 6.635 2.624 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.261 4.083 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.073 5.145 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.921 5.239 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.350 5.401 -0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.352 5.283 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.469 6.787 0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.741 7.344 -0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.500 7.613 -0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.639 7.518 1.314 1.00 0.00 H new ATOM 853 N VAL A 54 -7.663 3.937 3.768 1.00 0.00 N ATOM 854 CA VAL A 54 -8.790 3.445 4.583 1.00 0.00 C ATOM 855 C VAL A 54 -9.128 4.425 5.732 1.00 0.00 C ATOM 856 O VAL A 54 -8.211 4.891 6.419 1.00 0.00 O ATOM 857 CB VAL A 54 -8.479 2.015 5.082 1.00 0.00 C ATOM 858 CG1 VAL A 54 -7.311 1.923 6.069 1.00 0.00 C ATOM 859 CG2 VAL A 54 -9.703 1.329 5.691 1.00 0.00 C ATOM 0 H VAL A 54 -6.907 3.256 3.690 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.688 3.395 3.967 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.178 1.490 4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.165 0.884 6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.403 2.296 5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.532 2.524 6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.430 0.328 6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.061 1.911 6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.491 1.259 4.941 1.00 0.00 H new ATOM 869 N PRO A 55 -10.414 4.764 5.976 1.00 0.00 N ATOM 870 CA PRO A 55 -10.801 5.737 7.010 1.00 0.00 C ATOM 871 C PRO A 55 -10.603 5.238 8.456 1.00 0.00 C ATOM 872 O PRO A 55 -10.541 6.050 9.381 1.00 0.00 O ATOM 873 CB PRO A 55 -12.268 6.074 6.719 1.00 0.00 C ATOM 874 CG PRO A 55 -12.795 4.817 6.035 1.00 0.00 C ATOM 875 CD PRO A 55 -11.591 4.344 5.225 1.00 0.00 C ATOM 0 HA PRO A 55 -10.154 6.612 6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.818 6.293 7.634 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.358 6.949 6.075 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.116 4.067 6.758 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.652 5.032 5.397 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -11.607 3.262 5.097 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.595 4.783 4.227 1.00 0.00 H new ATOM 883 N SER A 56 -10.447 3.922 8.651 1.00 0.00 N ATOM 884 CA SER A 56 -10.112 3.243 9.915 1.00 0.00 C ATOM 885 C SER A 56 -10.899 3.757 11.128 1.00 0.00 C ATOM 886 O SER A 56 -12.064 3.386 11.331 1.00 0.00 O ATOM 887 CB SER A 56 -8.603 3.351 10.155 1.00 0.00 C ATOM 888 OG SER A 56 -8.164 2.349 11.064 1.00 0.00 O ATOM 0 H SER A 56 -10.558 3.259 7.884 1.00 0.00 H new ATOM 0 HA SER A 56 -10.407 2.199 9.807 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.071 3.249 9.209 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.363 4.338 10.550 1.00 0.00 H new ATOM 0 HG SER A 56 -7.389 2.679 11.566 1.00 0.00 H new TER 894 SER A 56