USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 491 hydrogens (4 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 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 51 TYR OH : rot 77:sc= 1.4 USER MOD Single : A 1 LEU N :NH3+ -114:sc= -0.339 (180deg=-1.7) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -64:sc= 0.113 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0231 X(o=-0.023,f=-0.011) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 146:sc= 0.543 (180deg=0.0487) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0283 USER MOD Single : A 46 SER OG : rot -43:sc= 0.951 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.778 X(o=-0.78,f=-0.36) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.517 USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000222) USER MOD Single : A 60 ASN : amide:sc= -1.67 K(o=-1.7,f=-9.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.044 14.237 -5.495 1.00 0.00 N ATOM 2 CA LEU A 1 2.944 13.723 -4.696 1.00 0.00 C ATOM 3 C LEU A 1 2.145 12.716 -5.525 1.00 0.00 C ATOM 4 O LEU A 1 0.956 12.913 -5.771 1.00 0.00 O ATOM 5 CB LEU A 1 2.100 14.873 -4.144 1.00 0.00 C ATOM 6 CG LEU A 1 2.564 15.468 -2.813 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.335 14.484 -1.664 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.022 15.924 -2.895 1.00 0.00 C ATOM 0 H1 LEU A 1 4.947 13.927 -5.083 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.965 13.876 -6.467 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.008 15.276 -5.507 1.00 0.00 H new ATOM 0 HA LEU A 1 3.323 13.190 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.078 15.670 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.076 14.520 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 1 1.962 16.352 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.673 14.931 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.273 14.251 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.896 13.568 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.327 16.343 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.657 15.072 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.123 16.683 -3.671 1.00 0.00 H new ATOM 20 N LYS A 2 2.830 11.658 -5.934 1.00 0.00 N ATOM 21 CA LYS A 2 2.199 10.620 -6.731 1.00 0.00 C ATOM 22 C LYS A 2 2.534 9.251 -6.134 1.00 0.00 C ATOM 23 O LYS A 2 3.680 8.992 -5.771 1.00 0.00 O ATOM 24 CB LYS A 2 2.590 10.761 -8.203 1.00 0.00 C ATOM 25 CG LYS A 2 4.053 10.369 -8.422 1.00 0.00 C ATOM 26 CD LYS A 2 4.508 10.716 -9.841 1.00 0.00 C ATOM 27 CE LYS A 2 3.842 9.799 -10.869 1.00 0.00 C ATOM 28 NZ LYS A 2 2.801 10.533 -11.621 1.00 0.00 N ATOM 0 H LYS A 2 3.816 11.497 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 2 1.114 10.725 -6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.945 10.131 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.433 11.790 -8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.684 10.885 -7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.177 9.300 -8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.263 11.755 -10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.592 10.622 -9.913 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.592 9.411 -11.559 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.398 8.940 -10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.359 9.896 -12.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.077 10.882 -10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.234 11.338 -12.117 1.00 0.00 H new ATOM 42 N CYS A 3 1.512 8.411 -6.052 1.00 0.00 N ATOM 43 CA CYS A 3 1.684 7.076 -5.505 1.00 0.00 C ATOM 44 C CYS A 3 0.897 6.096 -6.377 1.00 0.00 C ATOM 45 O CYS A 3 0.210 6.504 -7.312 1.00 0.00 O ATOM 46 CB CYS A 3 1.256 7.006 -4.038 1.00 0.00 C ATOM 47 SG CYS A 3 2.586 7.359 -2.833 1.00 0.00 S ATOM 0 H CYS A 3 0.563 8.629 -6.355 1.00 0.00 H new ATOM 0 HA CYS A 3 2.740 6.807 -5.519 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.442 7.713 -3.877 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.858 6.011 -3.837 1.00 0.00 H new ATOM 52 N LYS A 4 1.023 4.820 -6.040 1.00 0.00 N ATOM 53 CA LYS A 4 0.332 3.779 -6.781 1.00 0.00 C ATOM 54 C LYS A 4 -1.027 3.512 -6.130 1.00 0.00 C ATOM 55 O LYS A 4 -1.200 3.735 -4.933 1.00 0.00 O ATOM 56 CB LYS A 4 1.212 2.532 -6.900 1.00 0.00 C ATOM 57 CG LYS A 4 2.518 2.851 -7.630 1.00 0.00 C ATOM 58 CD LYS A 4 3.348 1.584 -7.848 1.00 0.00 C ATOM 59 CE LYS A 4 4.043 1.155 -6.555 1.00 0.00 C ATOM 60 NZ LYS A 4 4.897 -0.030 -6.794 1.00 0.00 N ATOM 0 H LYS A 4 1.593 4.484 -5.264 1.00 0.00 H new ATOM 0 HA LYS A 4 0.138 4.104 -7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.432 2.142 -5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.672 1.751 -7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.297 3.315 -8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.095 3.573 -7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.704 0.780 -8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.093 1.762 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.649 1.976 -6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.298 0.926 -5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.361 -0.308 -5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.311 -0.817 -7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.620 0.201 -7.505 1.00 0.00 H new ATOM 74 N LYS A 5 -1.956 3.039 -6.947 1.00 0.00 N ATOM 75 CA LYS A 5 -3.294 2.740 -6.466 1.00 0.00 C ATOM 76 C LYS A 5 -3.356 1.277 -6.020 1.00 0.00 C ATOM 77 O LYS A 5 -2.328 0.607 -5.934 1.00 0.00 O ATOM 78 CB LYS A 5 -4.338 3.104 -7.524 1.00 0.00 C ATOM 79 CG LYS A 5 -4.341 4.610 -7.795 1.00 0.00 C ATOM 80 CD LYS A 5 -5.770 5.147 -7.892 1.00 0.00 C ATOM 81 CE LYS A 5 -6.313 5.514 -6.509 1.00 0.00 C ATOM 82 NZ LYS A 5 -7.792 5.565 -6.530 1.00 0.00 N ATOM 0 H LYS A 5 -1.809 2.855 -7.939 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.530 3.351 -5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.128 2.565 -8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.326 2.789 -7.189 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.808 5.128 -6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.807 4.817 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.790 6.024 -8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.414 4.397 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.979 4.781 -5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.914 6.480 -6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.144 5.815 -5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.105 6.281 -7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.168 4.635 -6.804 1.00 0.00 H new ATOM 96 N LEU A 6 -4.571 0.826 -5.748 1.00 0.00 N ATOM 97 CA LEU A 6 -4.780 -0.545 -5.313 1.00 0.00 C ATOM 98 C LEU A 6 -4.051 -1.494 -6.265 1.00 0.00 C ATOM 99 O LEU A 6 -3.410 -2.448 -5.826 1.00 0.00 O ATOM 100 CB LEU A 6 -6.275 -0.841 -5.175 1.00 0.00 C ATOM 101 CG LEU A 6 -7.062 0.094 -4.253 1.00 0.00 C ATOM 102 CD1 LEU A 6 -8.092 0.903 -5.044 1.00 0.00 C ATOM 103 CD2 LEU A 6 -7.704 -0.684 -3.103 1.00 0.00 C ATOM 0 H LEU A 6 -5.421 1.385 -5.820 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.355 -0.699 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.725 -0.804 -6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.391 -1.861 -4.810 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.365 0.805 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.638 1.559 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.582 1.503 -5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.791 0.224 -5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.257 0.003 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.386 -1.433 -3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.927 -1.178 -2.519 1.00 0.00 H new ATOM 115 N VAL A 7 -4.172 -1.201 -7.551 1.00 0.00 N ATOM 116 CA VAL A 7 -3.532 -2.017 -8.569 1.00 0.00 C ATOM 117 C VAL A 7 -2.235 -1.340 -9.018 1.00 0.00 C ATOM 118 O VAL A 7 -2.219 -0.141 -9.292 1.00 0.00 O ATOM 119 CB VAL A 7 -4.504 -2.272 -9.723 1.00 0.00 C ATOM 120 CG1 VAL A 7 -3.879 -3.193 -10.773 1.00 0.00 C ATOM 121 CG2 VAL A 7 -5.827 -2.844 -9.209 1.00 0.00 C ATOM 0 H VAL A 7 -4.704 -0.409 -7.912 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.266 -2.993 -8.164 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.716 -1.315 -10.201 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.591 -3.358 -11.582 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.977 -2.730 -11.172 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.624 -4.148 -10.314 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.500 -3.016 -10.049 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.640 -3.787 -8.695 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.284 -2.137 -8.517 1.00 0.00 H new ATOM 131 N PRO A 8 -1.152 -2.160 -9.081 1.00 0.00 N ATOM 132 CA PRO A 8 0.147 -1.653 -9.492 1.00 0.00 C ATOM 133 C PRO A 8 0.191 -1.420 -11.003 1.00 0.00 C ATOM 134 O PRO A 8 1.037 -1.982 -11.697 1.00 0.00 O ATOM 135 CB PRO A 8 1.144 -2.699 -9.022 1.00 0.00 C ATOM 136 CG PRO A 8 0.338 -3.965 -8.782 1.00 0.00 C ATOM 137 CD PRO A 8 -1.134 -3.585 -8.764 1.00 0.00 C ATOM 0 HA PRO A 8 0.376 -0.680 -9.057 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.918 -2.865 -9.771 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.647 -2.377 -8.110 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.534 -4.696 -9.566 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.625 -4.426 -7.837 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.701 -4.161 -9.496 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.582 -3.780 -7.789 1.00 0.00 H new ATOM 145 N LEU A 9 -0.731 -0.591 -11.470 1.00 0.00 N ATOM 146 CA LEU A 9 -0.808 -0.277 -12.886 1.00 0.00 C ATOM 147 C LEU A 9 -1.206 1.190 -13.059 1.00 0.00 C ATOM 148 O LEU A 9 -0.599 1.913 -13.847 1.00 0.00 O ATOM 149 CB LEU A 9 -1.741 -1.256 -13.602 1.00 0.00 C ATOM 150 CG LEU A 9 -1.132 -2.606 -13.984 1.00 0.00 C ATOM 151 CD1 LEU A 9 -2.207 -3.692 -14.060 1.00 0.00 C ATOM 152 CD2 LEU A 9 -0.334 -2.499 -15.285 1.00 0.00 C ATOM 0 H LEU A 9 -1.432 -0.127 -10.892 1.00 0.00 H new ATOM 0 HA LEU A 9 0.168 -0.400 -13.356 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.605 -1.438 -12.962 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.111 -0.777 -14.509 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.434 -2.899 -13.200 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.746 -4.641 -14.333 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.694 -3.791 -13.090 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.948 -3.419 -14.811 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.088 -3.473 -15.534 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.992 -2.173 -16.090 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.472 -1.776 -15.159 1.00 0.00 H new ATOM 164 N PHE A 10 -2.224 1.586 -12.308 1.00 0.00 N ATOM 165 CA PHE A 10 -2.710 2.954 -12.368 1.00 0.00 C ATOM 166 C PHE A 10 -2.188 3.773 -11.186 1.00 0.00 C ATOM 167 O PHE A 10 -2.182 3.299 -10.051 1.00 0.00 O ATOM 168 CB PHE A 10 -4.237 2.889 -12.293 1.00 0.00 C ATOM 169 CG PHE A 10 -4.910 2.534 -13.620 1.00 0.00 C ATOM 170 CD1 PHE A 10 -5.106 1.230 -13.956 1.00 0.00 C ATOM 171 CD2 PHE A 10 -5.312 3.521 -14.464 1.00 0.00 C ATOM 172 CE1 PHE A 10 -5.731 0.901 -15.187 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.937 3.192 -15.696 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.133 1.888 -16.032 1.00 0.00 C ATOM 0 H PHE A 10 -2.725 0.983 -11.655 1.00 0.00 H new ATOM 0 HA PHE A 10 -2.367 3.431 -13.286 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.523 2.151 -11.544 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.615 3.853 -11.952 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.786 0.446 -13.286 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.156 4.556 -14.197 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.888 -0.134 -15.453 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.257 3.976 -16.366 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.608 1.637 -16.969 1.00 0.00 H new ATOM 184 N SER A 11 -1.761 4.990 -11.493 1.00 0.00 N ATOM 185 CA SER A 11 -1.238 5.880 -10.471 1.00 0.00 C ATOM 186 C SER A 11 -2.133 7.115 -10.345 1.00 0.00 C ATOM 187 O SER A 11 -2.757 7.535 -11.318 1.00 0.00 O ATOM 188 CB SER A 11 0.200 6.296 -10.786 1.00 0.00 C ATOM 189 OG SER A 11 0.389 6.553 -12.174 1.00 0.00 O ATOM 0 H SER A 11 -1.767 5.380 -12.435 1.00 0.00 H new ATOM 0 HA SER A 11 -1.232 5.345 -9.521 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.453 7.189 -10.214 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.883 5.509 -10.467 1.00 0.00 H new ATOM 0 HG SER A 11 1.319 6.817 -12.334 1.00 0.00 H new ATOM 195 N LYS A 12 -2.166 7.662 -9.139 1.00 0.00 N ATOM 196 CA LYS A 12 -2.973 8.840 -8.873 1.00 0.00 C ATOM 197 C LYS A 12 -2.206 9.778 -7.938 1.00 0.00 C ATOM 198 O LYS A 12 -1.503 9.324 -7.037 1.00 0.00 O ATOM 199 CB LYS A 12 -4.351 8.438 -8.345 1.00 0.00 C ATOM 200 CG LYS A 12 -5.409 8.530 -9.447 1.00 0.00 C ATOM 201 CD LYS A 12 -6.812 8.656 -8.851 1.00 0.00 C ATOM 202 CE LYS A 12 -7.884 8.395 -9.911 1.00 0.00 C ATOM 203 NZ LYS A 12 -9.236 8.547 -9.330 1.00 0.00 N ATOM 0 H LYS A 12 -1.646 7.311 -8.335 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.159 9.390 -9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.313 7.420 -7.957 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.629 9.086 -7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.202 9.390 -10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.357 7.644 -10.080 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.927 7.948 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.945 9.654 -8.432 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.759 9.089 -10.742 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.767 7.390 -10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.951 8.366 -10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.358 7.867 -8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.351 9.514 -8.966 1.00 0.00 H new ATOM 217 N THR A 13 -2.369 11.070 -8.185 1.00 0.00 N ATOM 218 CA THR A 13 -1.701 12.076 -7.376 1.00 0.00 C ATOM 219 C THR A 13 -2.603 12.517 -6.222 1.00 0.00 C ATOM 220 O THR A 13 -3.775 12.826 -6.429 1.00 0.00 O ATOM 221 CB THR A 13 -1.287 13.224 -8.298 1.00 0.00 C ATOM 222 OG1 THR A 13 0.021 12.865 -8.735 1.00 0.00 O ATOM 223 CG2 THR A 13 -1.078 14.537 -7.540 1.00 0.00 C ATOM 0 H THR A 13 -2.953 11.443 -8.933 1.00 0.00 H new ATOM 0 HA THR A 13 -0.802 11.675 -6.908 1.00 0.00 H new ATOM 0 HB THR A 13 -2.048 13.364 -9.066 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.628 12.840 -7.966 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.785 15.319 -8.241 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.006 14.823 -7.044 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.294 14.406 -6.794 1.00 0.00 H new ATOM 231 N CYS A 14 -2.021 12.534 -5.032 1.00 0.00 N ATOM 232 CA CYS A 14 -2.758 12.933 -3.845 1.00 0.00 C ATOM 233 C CYS A 14 -3.237 14.373 -4.038 1.00 0.00 C ATOM 234 O CYS A 14 -2.430 15.300 -4.078 1.00 0.00 O ATOM 235 CB CYS A 14 -1.915 12.777 -2.577 1.00 0.00 C ATOM 236 SG CYS A 14 -1.316 11.078 -2.257 1.00 0.00 S ATOM 0 H CYS A 14 -1.048 12.278 -4.864 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.620 12.279 -3.712 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.055 13.443 -2.645 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.506 13.106 -1.722 1.00 0.00 H new ATOM 241 N PRO A 15 -4.584 14.519 -4.156 1.00 0.00 N ATOM 242 CA PRO A 15 -5.181 15.830 -4.344 1.00 0.00 C ATOM 243 C PRO A 15 -5.174 16.628 -3.039 1.00 0.00 C ATOM 244 O PRO A 15 -4.749 16.124 -2.001 1.00 0.00 O ATOM 245 CB PRO A 15 -6.583 15.553 -4.864 1.00 0.00 C ATOM 246 CG PRO A 15 -6.881 14.106 -4.508 1.00 0.00 C ATOM 247 CD PRO A 15 -5.571 13.443 -4.113 1.00 0.00 C ATOM 0 HA PRO A 15 -4.624 16.449 -5.048 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.309 16.225 -4.407 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.638 15.709 -5.941 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.597 14.055 -3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.330 13.589 -5.356 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.634 13.003 -3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.311 12.639 -4.801 1.00 0.00 H new ATOM 255 N ALA A 16 -5.650 17.861 -3.134 1.00 0.00 N ATOM 256 CA ALA A 16 -5.704 18.734 -1.974 1.00 0.00 C ATOM 257 C ALA A 16 -6.370 17.992 -0.814 1.00 0.00 C ATOM 258 O ALA A 16 -7.419 17.374 -0.988 1.00 0.00 O ATOM 259 CB ALA A 16 -6.438 20.025 -2.340 1.00 0.00 C ATOM 0 H ALA A 16 -6.002 18.276 -3.997 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.699 19.011 -1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.478 20.680 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.908 20.528 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.452 19.788 -2.663 1.00 0.00 H new ATOM 265 N GLY A 17 -5.734 18.079 0.346 1.00 0.00 N ATOM 266 CA GLY A 17 -6.253 17.424 1.534 1.00 0.00 C ATOM 267 C GLY A 17 -5.328 16.290 1.983 1.00 0.00 C ATOM 268 O GLY A 17 -5.082 16.120 3.176 1.00 0.00 O ATOM 0 H GLY A 17 -4.864 18.593 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.359 18.152 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.248 17.028 1.330 1.00 0.00 H new ATOM 272 N LYS A 18 -4.842 15.543 1.002 1.00 0.00 N ATOM 273 CA LYS A 18 -3.950 14.431 1.281 1.00 0.00 C ATOM 274 C LYS A 18 -2.543 14.775 0.789 1.00 0.00 C ATOM 275 O LYS A 18 -2.379 15.321 -0.301 1.00 0.00 O ATOM 276 CB LYS A 18 -4.509 13.135 0.690 1.00 0.00 C ATOM 277 CG LYS A 18 -5.930 12.872 1.191 1.00 0.00 C ATOM 278 CD LYS A 18 -6.964 13.239 0.125 1.00 0.00 C ATOM 279 CE LYS A 18 -8.388 13.039 0.649 1.00 0.00 C ATOM 280 NZ LYS A 18 -9.378 13.405 -0.387 1.00 0.00 N ATOM 0 H LYS A 18 -5.049 15.686 0.014 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.879 14.260 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.509 13.198 -0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.864 12.299 0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.036 11.821 1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.114 13.452 2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.827 14.277 -0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.810 12.625 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.530 12.000 0.945 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.543 13.648 1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.339 13.263 -0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.252 14.403 -0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.240 12.806 -1.226 1.00 0.00 H new ATOM 294 N ASN A 19 -1.563 14.441 1.616 1.00 0.00 N ATOM 295 CA ASN A 19 -0.175 14.707 1.278 1.00 0.00 C ATOM 296 C ASN A 19 0.690 13.528 1.727 1.00 0.00 C ATOM 297 O ASN A 19 1.913 13.640 1.792 1.00 0.00 O ATOM 298 CB ASN A 19 0.333 15.964 1.988 1.00 0.00 C ATOM 299 CG ASN A 19 -0.308 17.223 1.401 1.00 0.00 C ATOM 300 OD1 ASN A 19 0.207 17.843 0.485 1.00 0.00 O ATOM 301 ND2 ASN A 19 -1.457 17.564 1.977 1.00 0.00 N ATOM 0 H ASN A 19 -1.703 13.989 2.519 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.112 14.851 0.199 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.109 15.900 3.053 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.417 16.026 1.894 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.963 18.389 1.656 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.832 17.000 2.740 1.00 0.00 H new ATOM 308 N LEU A 20 0.021 12.424 2.025 1.00 0.00 N ATOM 309 CA LEU A 20 0.714 11.225 2.465 1.00 0.00 C ATOM 310 C LEU A 20 0.190 10.021 1.680 1.00 0.00 C ATOM 311 O LEU A 20 -0.834 10.114 1.005 1.00 0.00 O ATOM 312 CB LEU A 20 0.598 11.067 3.983 1.00 0.00 C ATOM 313 CG LEU A 20 1.334 12.112 4.824 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.747 12.193 6.234 1.00 0.00 C ATOM 315 CD2 LEU A 20 2.839 11.838 4.845 1.00 0.00 C ATOM 0 H LEU A 20 -0.994 12.335 1.970 1.00 0.00 H new ATOM 0 HA LEU A 20 1.781 11.303 2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.458 11.092 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.973 10.080 4.255 1.00 0.00 H new ATOM 0 HG LEU A 20 1.191 13.087 4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.288 12.943 6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.305 12.471 6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.839 11.223 6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.338 12.595 5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.023 10.853 5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.229 11.871 3.828 1.00 0.00 H new ATOM 327 N CYS A 21 0.916 8.919 1.795 1.00 0.00 N ATOM 328 CA CYS A 21 0.538 7.698 1.104 1.00 0.00 C ATOM 329 C CYS A 21 0.271 6.616 2.152 1.00 0.00 C ATOM 330 O CYS A 21 1.122 6.341 2.996 1.00 0.00 O ATOM 331 CB CYS A 21 1.604 7.265 0.096 1.00 0.00 C ATOM 332 SG CYS A 21 1.832 8.406 -1.317 1.00 0.00 S ATOM 0 H CYS A 21 1.764 8.846 2.357 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.368 7.872 0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.556 7.160 0.617 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.341 6.280 -0.289 1.00 0.00 H new ATOM 337 N TYR A 22 -0.915 6.031 2.064 1.00 0.00 N ATOM 338 CA TYR A 22 -1.305 4.985 2.995 1.00 0.00 C ATOM 339 C TYR A 22 -1.276 3.613 2.320 1.00 0.00 C ATOM 340 O TYR A 22 -1.571 3.495 1.132 1.00 0.00 O ATOM 341 CB TYR A 22 -2.742 5.305 3.411 1.00 0.00 C ATOM 342 CG TYR A 22 -3.806 4.656 2.524 1.00 0.00 C ATOM 343 CD1 TYR A 22 -3.973 3.286 2.537 1.00 0.00 C ATOM 344 CD2 TYR A 22 -4.599 5.440 1.712 1.00 0.00 C ATOM 345 CE1 TYR A 22 -4.974 2.675 1.703 1.00 0.00 C ATOM 346 CE2 TYR A 22 -5.601 4.829 0.877 1.00 0.00 C ATOM 347 CZ TYR A 22 -5.739 3.476 0.914 1.00 0.00 C ATOM 348 OH TYR A 22 -6.685 2.899 0.126 1.00 0.00 O ATOM 0 H TYR A 22 -1.619 6.261 1.362 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.622 4.952 3.844 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.893 4.978 4.440 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.881 6.386 3.396 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.352 2.672 3.173 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.469 6.512 1.702 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.115 1.604 1.704 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.228 5.431 0.236 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.155 3.593 -0.382 1.00 0.00 H new ATOM 358 N LYS A 23 -0.917 2.609 3.107 1.00 0.00 N ATOM 359 CA LYS A 23 -0.845 1.249 2.600 1.00 0.00 C ATOM 360 C LYS A 23 -1.426 0.290 3.642 1.00 0.00 C ATOM 361 O LYS A 23 -1.077 0.362 4.819 1.00 0.00 O ATOM 362 CB LYS A 23 0.586 0.908 2.181 1.00 0.00 C ATOM 363 CG LYS A 23 1.424 0.479 3.387 1.00 0.00 C ATOM 364 CD LYS A 23 2.918 0.533 3.065 1.00 0.00 C ATOM 365 CE LYS A 23 3.664 -0.627 3.727 1.00 0.00 C ATOM 366 NZ LYS A 23 4.626 -1.234 2.780 1.00 0.00 N ATOM 0 H LYS A 23 -0.673 2.710 4.092 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.449 1.146 1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.571 0.108 1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.045 1.774 1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.208 1.130 4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.149 -0.533 3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.063 0.494 1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.334 1.480 3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.192 -0.270 4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.952 -1.380 4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.465 -1.562 3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.179 -2.041 2.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.912 -0.526 2.074 1.00 0.00 H new ATOM 380 N MET A 24 -2.301 -0.585 3.170 1.00 0.00 N ATOM 381 CA MET A 24 -2.933 -1.557 4.046 1.00 0.00 C ATOM 382 C MET A 24 -2.384 -2.962 3.793 1.00 0.00 C ATOM 383 O MET A 24 -2.370 -3.432 2.657 1.00 0.00 O ATOM 384 CB MET A 24 -4.445 -1.550 3.810 1.00 0.00 C ATOM 385 CG MET A 24 -5.184 -2.219 4.971 1.00 0.00 C ATOM 386 SD MET A 24 -6.932 -2.297 4.618 1.00 0.00 S ATOM 387 CE MET A 24 -7.498 -3.203 6.048 1.00 0.00 C ATOM 0 H MET A 24 -2.587 -0.641 2.193 1.00 0.00 H new ATOM 0 HA MET A 24 -2.716 -1.283 5.078 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.794 -0.524 3.695 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.674 -2.071 2.880 1.00 0.00 H new ATOM 0 HG2 MET A 24 -4.792 -3.223 5.132 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.015 -1.660 5.891 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.578 -3.341 5.987 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.009 -4.177 6.079 1.00 0.00 H new ATOM 0 HE3 MET A 24 -7.254 -2.645 6.952 1.00 0.00 H new ATOM 397 N PHE A 25 -1.944 -3.594 4.872 1.00 0.00 N ATOM 398 CA PHE A 25 -1.395 -4.936 4.781 1.00 0.00 C ATOM 399 C PHE A 25 -2.083 -5.878 5.771 1.00 0.00 C ATOM 400 O PHE A 25 -2.854 -5.436 6.621 1.00 0.00 O ATOM 401 CB PHE A 25 0.090 -4.837 5.137 1.00 0.00 C ATOM 402 CG PHE A 25 0.988 -4.456 3.959 1.00 0.00 C ATOM 403 CD1 PHE A 25 0.866 -3.232 3.378 1.00 0.00 C ATOM 404 CD2 PHE A 25 1.909 -5.341 3.492 1.00 0.00 C ATOM 405 CE1 PHE A 25 1.699 -2.878 2.285 1.00 0.00 C ATOM 406 CE2 PHE A 25 2.743 -4.987 2.398 1.00 0.00 C ATOM 407 CZ PHE A 25 2.620 -3.763 1.818 1.00 0.00 C ATOM 0 H PHE A 25 -1.957 -3.201 5.813 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.547 -5.333 3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.215 -4.099 5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.421 -5.795 5.538 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.135 -2.529 3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.006 -6.313 3.953 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.602 -1.906 1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.475 -5.690 2.027 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.254 -3.494 0.986 1.00 0.00 H new ATOM 417 N MET A 26 -1.778 -7.160 5.629 1.00 0.00 N ATOM 418 CA MET A 26 -2.357 -8.168 6.500 1.00 0.00 C ATOM 419 C MET A 26 -1.280 -8.841 7.353 1.00 0.00 C ATOM 420 O MET A 26 -0.219 -9.204 6.846 1.00 0.00 O ATOM 421 CB MET A 26 -3.072 -9.224 5.654 1.00 0.00 C ATOM 422 CG MET A 26 -4.538 -8.847 5.430 1.00 0.00 C ATOM 423 SD MET A 26 -4.644 -7.234 4.672 1.00 0.00 S ATOM 424 CE MET A 26 -6.409 -6.976 4.738 1.00 0.00 C ATOM 0 H MET A 26 -1.137 -7.523 4.923 1.00 0.00 H new ATOM 0 HA MET A 26 -3.068 -7.680 7.166 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.568 -9.327 4.693 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.014 -10.193 6.150 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.020 -9.589 4.794 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.072 -8.847 6.380 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.652 -6.007 4.302 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.913 -7.763 4.177 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.742 -7.000 5.776 1.00 0.00 H new ATOM 434 N VAL A 27 -1.588 -8.986 8.633 1.00 0.00 N ATOM 435 CA VAL A 27 -0.659 -9.608 9.561 1.00 0.00 C ATOM 436 C VAL A 27 -0.516 -11.092 9.214 1.00 0.00 C ATOM 437 O VAL A 27 -1.057 -11.950 9.909 1.00 0.00 O ATOM 438 CB VAL A 27 -1.121 -9.373 11.000 1.00 0.00 C ATOM 439 CG1 VAL A 27 -2.397 -10.162 11.303 1.00 0.00 C ATOM 440 CG2 VAL A 27 -0.012 -9.721 11.995 1.00 0.00 C ATOM 0 H VAL A 27 -2.468 -8.683 9.050 1.00 0.00 H new ATOM 0 HA VAL A 27 0.329 -9.156 9.473 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.349 -8.313 11.109 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.703 -9.977 12.333 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.190 -9.845 10.626 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.207 -11.227 11.167 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.366 -9.545 13.011 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.262 -10.770 11.883 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.860 -9.096 11.801 1.00 0.00 H new ATOM 450 N ALA A 28 0.216 -11.347 8.139 1.00 0.00 N ATOM 451 CA ALA A 28 0.438 -12.711 7.692 1.00 0.00 C ATOM 452 C ALA A 28 1.474 -12.712 6.566 1.00 0.00 C ATOM 453 O ALA A 28 2.343 -13.582 6.518 1.00 0.00 O ATOM 454 CB ALA A 28 -0.894 -13.330 7.260 1.00 0.00 C ATOM 0 H ALA A 28 0.663 -10.632 7.565 1.00 0.00 H new ATOM 0 HA ALA A 28 0.833 -13.322 8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.728 -14.354 6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.585 -13.332 8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.319 -12.745 6.444 1.00 0.00 H new ATOM 460 N ALA A 29 1.347 -11.729 5.688 1.00 0.00 N ATOM 461 CA ALA A 29 2.261 -11.605 4.565 1.00 0.00 C ATOM 462 C ALA A 29 2.881 -10.206 4.569 1.00 0.00 C ATOM 463 O ALA A 29 2.521 -9.362 3.750 1.00 0.00 O ATOM 464 CB ALA A 29 1.517 -11.910 3.264 1.00 0.00 C ATOM 0 H ALA A 29 0.625 -11.010 5.731 1.00 0.00 H new ATOM 0 HA ALA A 29 3.074 -12.326 4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.203 -11.817 2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.122 -12.925 3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.694 -11.205 3.141 1.00 0.00 H new ATOM 470 N PRO A 30 3.826 -9.999 5.525 1.00 0.00 N ATOM 471 CA PRO A 30 4.499 -8.717 5.646 1.00 0.00 C ATOM 472 C PRO A 30 5.533 -8.533 4.534 1.00 0.00 C ATOM 473 O PRO A 30 6.709 -8.297 4.807 1.00 0.00 O ATOM 474 CB PRO A 30 5.116 -8.726 7.035 1.00 0.00 C ATOM 475 CG PRO A 30 5.162 -10.184 7.461 1.00 0.00 C ATOM 476 CD PRO A 30 4.278 -10.975 6.511 1.00 0.00 C ATOM 0 HA PRO A 30 3.819 -7.873 5.532 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.116 -8.291 7.021 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.521 -8.134 7.731 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.185 -10.558 7.431 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.813 -10.293 8.488 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.831 -11.787 6.039 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.436 -11.426 7.036 1.00 0.00 H new ATOM 484 N HIS A 31 5.058 -8.648 3.302 1.00 0.00 N ATOM 485 CA HIS A 31 5.927 -8.497 2.147 1.00 0.00 C ATOM 486 C HIS A 31 5.124 -7.941 0.970 1.00 0.00 C ATOM 487 O HIS A 31 5.561 -7.006 0.302 1.00 0.00 O ATOM 488 CB HIS A 31 6.626 -9.818 1.818 1.00 0.00 C ATOM 489 CG HIS A 31 7.469 -9.770 0.566 1.00 0.00 C ATOM 490 ND1 HIS A 31 8.513 -8.877 0.399 1.00 0.00 N ATOM 491 CD2 HIS A 31 7.413 -10.515 -0.575 1.00 0.00 C ATOM 492 CE1 HIS A 31 9.052 -9.083 -0.794 1.00 0.00 C ATOM 493 NE2 HIS A 31 8.369 -10.098 -1.396 1.00 0.00 N ATOM 0 H HIS A 31 4.082 -8.844 3.079 1.00 0.00 H new ATOM 0 HA HIS A 31 6.717 -7.781 2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.258 -10.102 2.659 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.873 -10.598 1.707 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.710 -11.310 -0.776 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.886 -8.542 -1.216 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.561 -10.475 -2.324 1.00 0.00 H new ATOM 501 N VAL A 32 3.962 -8.541 0.751 1.00 0.00 N ATOM 502 CA VAL A 32 3.094 -8.117 -0.334 1.00 0.00 C ATOM 503 C VAL A 32 1.968 -7.247 0.229 1.00 0.00 C ATOM 504 O VAL A 32 1.348 -7.600 1.231 1.00 0.00 O ATOM 505 CB VAL A 32 2.580 -9.338 -1.100 1.00 0.00 C ATOM 506 CG1 VAL A 32 1.761 -8.914 -2.320 1.00 0.00 C ATOM 507 CG2 VAL A 32 3.735 -10.256 -1.506 1.00 0.00 C ATOM 0 H VAL A 32 3.602 -9.317 1.307 1.00 0.00 H new ATOM 0 HA VAL A 32 3.647 -7.509 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 32 1.924 -9.900 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.408 -9.800 -2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.907 -8.320 -1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.384 -8.319 -2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.343 -11.116 -2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.428 -9.708 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.259 -10.598 -0.613 1.00 0.00 H new ATOM 517 N PRO A 33 1.732 -6.097 -0.457 1.00 0.00 N ATOM 518 CA PRO A 33 0.692 -5.174 -0.036 1.00 0.00 C ATOM 519 C PRO A 33 -0.695 -5.712 -0.392 1.00 0.00 C ATOM 520 O PRO A 33 -0.815 -6.733 -1.069 1.00 0.00 O ATOM 521 CB PRO A 33 1.019 -3.866 -0.737 1.00 0.00 C ATOM 522 CG PRO A 33 1.953 -4.228 -1.881 1.00 0.00 C ATOM 523 CD PRO A 33 2.447 -5.647 -1.648 1.00 0.00 C ATOM 0 HA PRO A 33 0.665 -5.035 1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.114 -3.385 -1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.494 -3.164 -0.052 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.432 -4.157 -2.836 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.792 -3.534 -1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.232 -6.287 -2.504 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.526 -5.671 -1.495 1.00 0.00 H new ATOM 531 N VAL A 34 -1.709 -5.002 0.080 1.00 0.00 N ATOM 532 CA VAL A 34 -3.084 -5.395 -0.180 1.00 0.00 C ATOM 533 C VAL A 34 -3.810 -4.254 -0.894 1.00 0.00 C ATOM 534 O VAL A 34 -4.365 -4.446 -1.975 1.00 0.00 O ATOM 535 CB VAL A 34 -3.764 -5.813 1.125 1.00 0.00 C ATOM 536 CG1 VAL A 34 -5.213 -6.240 0.876 1.00 0.00 C ATOM 537 CG2 VAL A 34 -2.977 -6.925 1.822 1.00 0.00 C ATOM 0 H VAL A 34 -1.606 -4.157 0.641 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.115 -6.262 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.779 -4.947 1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.673 -6.532 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.768 -5.408 0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.230 -7.084 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.482 -7.203 2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.916 -7.794 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.972 -6.571 2.050 1.00 0.00 H new ATOM 547 N LYS A 35 -3.783 -3.090 -0.261 1.00 0.00 N ATOM 548 CA LYS A 35 -4.432 -1.917 -0.823 1.00 0.00 C ATOM 549 C LYS A 35 -3.449 -0.745 -0.819 1.00 0.00 C ATOM 550 O LYS A 35 -2.470 -0.753 -0.074 1.00 0.00 O ATOM 551 CB LYS A 35 -5.740 -1.625 -0.086 1.00 0.00 C ATOM 552 CG LYS A 35 -6.719 -2.793 -0.221 1.00 0.00 C ATOM 553 CD LYS A 35 -7.313 -3.171 1.138 1.00 0.00 C ATOM 554 CE LYS A 35 -8.450 -4.181 0.977 1.00 0.00 C ATOM 555 NZ LYS A 35 -8.969 -4.593 2.300 1.00 0.00 N ATOM 0 H LYS A 35 -3.322 -2.934 0.635 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.711 -2.096 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.534 -1.439 0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.193 -0.718 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.520 -2.523 -0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.206 -3.654 -0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.535 -3.592 1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.684 -2.277 1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.253 -3.742 0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.094 -5.055 0.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.740 -5.279 2.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.204 -5.031 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.328 -3.759 2.807 1.00 0.00 H new ATOM 569 N ARG A 36 -3.744 0.236 -1.660 1.00 0.00 N ATOM 570 CA ARG A 36 -2.898 1.413 -1.763 1.00 0.00 C ATOM 571 C ARG A 36 -3.724 2.623 -2.201 1.00 0.00 C ATOM 572 O ARG A 36 -4.478 2.547 -3.170 1.00 0.00 O ATOM 573 CB ARG A 36 -1.763 1.189 -2.764 1.00 0.00 C ATOM 574 CG ARG A 36 -0.923 -0.030 -2.378 1.00 0.00 C ATOM 575 CD ARG A 36 -1.448 -1.295 -3.060 1.00 0.00 C ATOM 576 NE ARG A 36 -0.966 -1.353 -4.458 1.00 0.00 N ATOM 577 CZ ARG A 36 0.327 -1.326 -4.809 1.00 0.00 C ATOM 578 NH1 ARG A 36 1.275 -1.241 -3.867 1.00 0.00 N ATOM 579 NH2 ARG A 36 0.671 -1.382 -6.103 1.00 0.00 N ATOM 0 H ARG A 36 -4.557 0.240 -2.276 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.468 1.600 -0.779 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.177 1.048 -3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.128 2.074 -2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.116 0.136 -2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.942 -0.161 -1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.114 -2.178 -2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.538 -1.302 -3.042 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.662 -1.418 -5.201 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.013 -1.197 -2.882 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.259 -1.220 -4.134 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.051 -1.445 -6.820 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.655 -1.361 -6.370 1.00 0.00 H new ATOM 593 N GLY A 37 -3.555 3.713 -1.467 1.00 0.00 N ATOM 594 CA GLY A 37 -4.276 4.938 -1.767 1.00 0.00 C ATOM 595 C GLY A 37 -3.624 6.140 -1.081 1.00 0.00 C ATOM 596 O GLY A 37 -2.559 6.013 -0.478 1.00 0.00 O ATOM 0 H GLY A 37 -2.928 3.773 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.297 5.097 -2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.311 4.845 -1.439 1.00 0.00 H new ATOM 600 N CYS A 38 -4.291 7.279 -1.196 1.00 0.00 N ATOM 601 CA CYS A 38 -3.790 8.503 -0.594 1.00 0.00 C ATOM 602 C CYS A 38 -4.539 8.734 0.720 1.00 0.00 C ATOM 603 O CYS A 38 -5.620 8.184 0.928 1.00 0.00 O ATOM 604 CB CYS A 38 -3.922 9.696 -1.543 1.00 0.00 C ATOM 605 SG CYS A 38 -2.662 9.764 -2.869 1.00 0.00 S ATOM 0 H CYS A 38 -5.174 7.380 -1.697 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.724 8.401 -0.391 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.911 9.670 -2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.865 10.615 -0.959 1.00 0.00 H new ATOM 610 N ILE A 39 -3.936 9.549 1.573 1.00 0.00 N ATOM 611 CA ILE A 39 -4.533 9.859 2.861 1.00 0.00 C ATOM 612 C ILE A 39 -3.992 11.202 3.358 1.00 0.00 C ATOM 613 O ILE A 39 -2.979 11.689 2.861 1.00 0.00 O ATOM 614 CB ILE A 39 -4.316 8.707 3.844 1.00 0.00 C ATOM 615 CG1 ILE A 39 -5.426 8.666 4.895 1.00 0.00 C ATOM 616 CG2 ILE A 39 -2.927 8.783 4.480 1.00 0.00 C ATOM 617 CD1 ILE A 39 -5.596 7.254 5.460 1.00 0.00 C ATOM 0 H ILE A 39 -3.040 10.004 1.397 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.614 9.965 2.765 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.365 7.771 3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.192 9.359 5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.364 8.999 4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.799 7.953 5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.167 8.725 3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.824 9.725 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.392 7.254 6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.854 6.568 4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.664 6.933 5.925 1.00 0.00 H new ATOM 629 N ASP A 40 -4.694 11.761 4.334 1.00 0.00 N ATOM 630 CA ASP A 40 -4.297 13.037 4.904 1.00 0.00 C ATOM 631 C ASP A 40 -3.685 12.805 6.287 1.00 0.00 C ATOM 632 O ASP A 40 -2.595 13.295 6.577 1.00 0.00 O ATOM 633 CB ASP A 40 -5.503 13.964 5.070 1.00 0.00 C ATOM 634 CG ASP A 40 -5.213 15.277 5.801 1.00 0.00 C ATOM 635 OD1 ASP A 40 -4.050 15.727 5.719 1.00 0.00 O ATOM 636 OD2 ASP A 40 -6.161 15.800 6.425 1.00 0.00 O ATOM 0 H ASP A 40 -5.534 11.353 4.744 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.577 13.499 4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.903 14.196 4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.282 13.428 5.612 1.00 0.00 H new ATOM 641 N VAL A 41 -4.414 12.057 7.103 1.00 0.00 N ATOM 642 CA VAL A 41 -3.956 11.754 8.448 1.00 0.00 C ATOM 643 C VAL A 41 -3.636 10.262 8.550 1.00 0.00 C ATOM 644 O VAL A 41 -4.395 9.426 8.061 1.00 0.00 O ATOM 645 CB VAL A 41 -4.998 12.213 9.471 1.00 0.00 C ATOM 646 CG1 VAL A 41 -5.426 13.658 9.207 1.00 0.00 C ATOM 647 CG2 VAL A 41 -6.207 11.275 9.480 1.00 0.00 C ATOM 0 H VAL A 41 -5.318 11.652 6.858 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.038 12.299 8.670 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.538 12.176 10.458 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.167 13.959 9.948 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.557 14.313 9.275 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.859 13.733 8.210 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.932 11.623 10.215 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.668 11.266 8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.883 10.267 9.739 1.00 0.00 H new ATOM 657 N CYS A 42 -2.511 9.972 9.187 1.00 0.00 N ATOM 658 CA CYS A 42 -2.081 8.595 9.358 1.00 0.00 C ATOM 659 C CYS A 42 -2.810 8.012 10.571 1.00 0.00 C ATOM 660 O CYS A 42 -2.619 8.472 11.695 1.00 0.00 O ATOM 661 CB CYS A 42 -0.562 8.490 9.501 1.00 0.00 C ATOM 662 SG CYS A 42 0.100 6.786 9.433 1.00 0.00 S ATOM 0 H CYS A 42 -1.884 10.668 9.591 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.337 8.018 8.469 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.095 9.078 8.710 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.269 8.941 10.449 1.00 0.00 H new ATOM 667 N PRO A 43 -3.652 6.980 10.293 1.00 0.00 N ATOM 668 CA PRO A 43 -4.411 6.329 11.348 1.00 0.00 C ATOM 669 C PRO A 43 -3.513 5.416 12.185 1.00 0.00 C ATOM 670 O PRO A 43 -2.324 5.280 11.902 1.00 0.00 O ATOM 671 CB PRO A 43 -5.518 5.576 10.629 1.00 0.00 C ATOM 672 CG PRO A 43 -5.067 5.453 9.183 1.00 0.00 C ATOM 673 CD PRO A 43 -3.904 6.409 8.974 1.00 0.00 C ATOM 0 HA PRO A 43 -4.829 7.037 12.064 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.675 4.593 11.074 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.464 6.112 10.699 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.764 4.429 8.964 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.886 5.695 8.506 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.026 5.887 8.594 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.153 7.183 8.248 1.00 0.00 H new ATOM 681 N LYS A 44 -4.116 4.815 13.200 1.00 0.00 N ATOM 682 CA LYS A 44 -3.386 3.919 14.080 1.00 0.00 C ATOM 683 C LYS A 44 -3.435 2.500 13.511 1.00 0.00 C ATOM 684 O LYS A 44 -4.357 2.154 12.774 1.00 0.00 O ATOM 685 CB LYS A 44 -3.916 4.025 15.512 1.00 0.00 C ATOM 686 CG LYS A 44 -2.810 3.736 16.529 1.00 0.00 C ATOM 687 CD LYS A 44 -1.930 4.968 16.748 1.00 0.00 C ATOM 688 CE LYS A 44 -0.846 4.689 17.790 1.00 0.00 C ATOM 689 NZ LYS A 44 0.004 5.885 17.987 1.00 0.00 N ATOM 0 H LYS A 44 -5.102 4.931 13.433 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.336 4.207 14.130 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.319 5.024 15.681 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.737 3.322 15.653 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.253 3.429 17.476 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.198 2.905 16.179 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.467 5.261 15.806 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.546 5.806 17.074 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.307 4.404 18.736 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.232 3.848 17.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.735 5.678 18.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.459 6.140 17.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.583 6.678 18.315 1.00 0.00 H new ATOM 703 N SER A 45 -2.430 1.716 13.874 1.00 0.00 N ATOM 704 CA SER A 45 -2.347 0.342 13.409 1.00 0.00 C ATOM 705 C SER A 45 -3.029 -0.592 14.410 1.00 0.00 C ATOM 706 O SER A 45 -3.303 -0.200 15.543 1.00 0.00 O ATOM 707 CB SER A 45 -0.892 -0.080 13.195 1.00 0.00 C ATOM 708 OG SER A 45 -0.364 0.422 11.971 1.00 0.00 O ATOM 0 H SER A 45 -1.666 2.006 14.485 1.00 0.00 H new ATOM 0 HA SER A 45 -2.861 0.274 12.450 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.285 0.279 14.026 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.826 -1.168 13.199 1.00 0.00 H new ATOM 0 HG SER A 45 0.567 0.132 11.873 1.00 0.00 H new ATOM 714 N SER A 46 -3.284 -1.810 13.955 1.00 0.00 N ATOM 715 CA SER A 46 -3.929 -2.804 14.797 1.00 0.00 C ATOM 716 C SER A 46 -3.135 -4.111 14.766 1.00 0.00 C ATOM 717 O SER A 46 -2.097 -4.196 14.112 1.00 0.00 O ATOM 718 CB SER A 46 -5.373 -3.048 14.353 1.00 0.00 C ATOM 719 OG SER A 46 -5.455 -4.026 13.320 1.00 0.00 O ATOM 0 H SER A 46 -3.056 -2.131 13.014 1.00 0.00 H new ATOM 0 HA SER A 46 -3.951 -2.425 15.819 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.965 -3.373 15.208 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.808 -2.112 14.002 1.00 0.00 H new ATOM 0 HG SER A 46 -4.747 -3.867 12.662 1.00 0.00 H new ATOM 725 N LEU A 47 -3.654 -5.099 15.481 1.00 0.00 N ATOM 726 CA LEU A 47 -3.007 -6.398 15.543 1.00 0.00 C ATOM 727 C LEU A 47 -3.444 -7.239 14.342 1.00 0.00 C ATOM 728 O LEU A 47 -2.793 -8.225 14.000 1.00 0.00 O ATOM 729 CB LEU A 47 -3.276 -7.067 16.893 1.00 0.00 C ATOM 730 CG LEU A 47 -2.879 -6.261 18.131 1.00 0.00 C ATOM 731 CD1 LEU A 47 -3.330 -6.967 19.412 1.00 0.00 C ATOM 732 CD2 LEU A 47 -1.378 -5.967 18.137 1.00 0.00 C ATOM 0 H LEU A 47 -4.515 -5.025 16.022 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.925 -6.288 15.478 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.340 -7.295 16.958 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.744 -8.018 16.917 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.394 -5.301 18.093 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.036 -6.373 20.278 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.414 -7.081 19.402 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.862 -7.950 19.470 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.123 -5.393 19.028 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.823 -6.905 18.139 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.116 -5.393 17.248 1.00 0.00 H new ATOM 744 N LEU A 48 -4.544 -6.818 13.735 1.00 0.00 N ATOM 745 CA LEU A 48 -5.076 -7.521 12.579 1.00 0.00 C ATOM 746 C LEU A 48 -4.473 -6.926 11.305 1.00 0.00 C ATOM 747 O LEU A 48 -3.725 -7.598 10.596 1.00 0.00 O ATOM 748 CB LEU A 48 -6.606 -7.506 12.601 1.00 0.00 C ATOM 749 CG LEU A 48 -7.300 -8.249 11.458 1.00 0.00 C ATOM 750 CD1 LEU A 48 -7.039 -9.754 11.545 1.00 0.00 C ATOM 751 CD2 LEU A 48 -8.795 -7.928 11.423 1.00 0.00 C ATOM 0 H LEU A 48 -5.081 -6.000 14.021 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.790 -8.573 12.607 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.940 -7.938 13.544 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.940 -6.468 12.589 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.874 -7.902 10.517 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.543 -10.259 10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.967 -9.942 11.484 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.420 -10.135 12.492 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.264 -8.469 10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.254 -8.229 12.365 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.934 -6.857 11.278 1.00 0.00 H new ATOM 763 N VAL A 49 -4.821 -5.673 11.052 1.00 0.00 N ATOM 764 CA VAL A 49 -4.324 -4.981 9.876 1.00 0.00 C ATOM 765 C VAL A 49 -3.239 -3.987 10.295 1.00 0.00 C ATOM 766 O VAL A 49 -3.219 -3.528 11.436 1.00 0.00 O ATOM 767 CB VAL A 49 -5.484 -4.320 9.128 1.00 0.00 C ATOM 768 CG1 VAL A 49 -6.657 -5.289 8.969 1.00 0.00 C ATOM 769 CG2 VAL A 49 -5.926 -3.034 9.829 1.00 0.00 C ATOM 0 H VAL A 49 -5.442 -5.119 11.642 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.868 -5.687 9.182 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.132 -4.054 8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.468 -4.794 8.434 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.332 -6.164 8.406 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.008 -5.600 9.953 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.751 -2.584 9.277 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.251 -3.266 10.843 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.091 -2.335 9.867 1.00 0.00 H new ATOM 779 N LYS A 50 -2.362 -3.683 9.349 1.00 0.00 N ATOM 780 CA LYS A 50 -1.277 -2.751 9.606 1.00 0.00 C ATOM 781 C LYS A 50 -1.307 -1.638 8.557 1.00 0.00 C ATOM 782 O LYS A 50 -1.235 -1.907 7.359 1.00 0.00 O ATOM 783 CB LYS A 50 0.059 -3.493 9.678 1.00 0.00 C ATOM 784 CG LYS A 50 1.105 -2.667 10.431 1.00 0.00 C ATOM 785 CD LYS A 50 1.072 -2.976 11.929 1.00 0.00 C ATOM 786 CE LYS A 50 1.911 -4.214 12.252 1.00 0.00 C ATOM 787 NZ LYS A 50 1.804 -4.552 13.689 1.00 0.00 N ATOM 0 H LYS A 50 -2.381 -4.066 8.404 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.405 -2.276 10.578 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.080 -4.452 10.177 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.415 -3.706 8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.097 -2.881 10.034 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.919 -1.605 10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.449 -2.120 12.489 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.042 -3.137 12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.574 -5.057 11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.954 -4.032 11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.379 -5.394 13.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.147 -3.753 14.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.810 -4.746 13.927 1.00 0.00 H new ATOM 801 N TYR A 51 -1.414 -0.411 9.045 1.00 0.00 N ATOM 802 CA TYR A 51 -1.454 0.744 8.165 1.00 0.00 C ATOM 803 C TYR A 51 -0.161 1.556 8.266 1.00 0.00 C ATOM 804 O TYR A 51 0.039 2.293 9.231 1.00 0.00 O ATOM 805 CB TYR A 51 -2.622 1.604 8.651 1.00 0.00 C ATOM 806 CG TYR A 51 -3.962 1.262 7.997 1.00 0.00 C ATOM 807 CD1 TYR A 51 -4.199 1.615 6.684 1.00 0.00 C ATOM 808 CD2 TYR A 51 -4.934 0.600 8.720 1.00 0.00 C ATOM 809 CE1 TYR A 51 -5.460 1.292 6.068 1.00 0.00 C ATOM 810 CE2 TYR A 51 -6.195 0.277 8.104 1.00 0.00 C ATOM 811 CZ TYR A 51 -6.396 0.639 6.808 1.00 0.00 C ATOM 812 OH TYR A 51 -7.587 0.335 6.227 1.00 0.00 O ATOM 0 H TYR A 51 -1.474 -0.192 10.039 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.568 0.432 7.127 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.718 1.492 9.731 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.393 2.652 8.459 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.439 2.133 6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.749 0.324 9.748 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.658 1.562 5.041 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.964 -0.241 8.658 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.473 -0.434 5.630 1.00 0.00 H new ATOM 822 N VAL A 52 0.682 1.395 7.257 1.00 0.00 N ATOM 823 CA VAL A 52 1.950 2.104 7.220 1.00 0.00 C ATOM 824 C VAL A 52 1.829 3.308 6.285 1.00 0.00 C ATOM 825 O VAL A 52 1.293 3.192 5.184 1.00 0.00 O ATOM 826 CB VAL A 52 3.073 1.146 6.819 1.00 0.00 C ATOM 827 CG1 VAL A 52 4.394 1.897 6.634 1.00 0.00 C ATOM 828 CG2 VAL A 52 3.223 0.017 7.841 1.00 0.00 C ATOM 0 H VAL A 52 0.512 0.784 6.458 1.00 0.00 H new ATOM 0 HA VAL A 52 2.204 2.485 8.209 1.00 0.00 H new ATOM 0 HB VAL A 52 2.805 0.698 5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.176 1.193 6.349 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.279 2.648 5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.669 2.386 7.569 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.028 -0.649 7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.457 0.439 8.818 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.291 -0.544 7.902 1.00 0.00 H new ATOM 838 N CYS A 53 2.335 4.438 6.758 1.00 0.00 N ATOM 839 CA CYS A 53 2.290 5.663 5.978 1.00 0.00 C ATOM 840 C CYS A 53 3.726 6.087 5.666 1.00 0.00 C ATOM 841 O CYS A 53 4.648 5.765 6.414 1.00 0.00 O ATOM 842 CB CYS A 53 1.513 6.765 6.700 1.00 0.00 C ATOM 843 SG CYS A 53 -0.037 6.214 7.501 1.00 0.00 S ATOM 0 H CYS A 53 2.778 4.531 7.672 1.00 0.00 H new ATOM 0 HA CYS A 53 1.755 5.484 5.045 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.159 7.209 7.458 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.275 7.551 5.984 1.00 0.00 H new ATOM 848 N CYS A 54 3.872 6.802 4.561 1.00 0.00 N ATOM 849 CA CYS A 54 5.181 7.273 4.141 1.00 0.00 C ATOM 850 C CYS A 54 4.994 8.569 3.349 1.00 0.00 C ATOM 851 O CYS A 54 4.019 8.716 2.614 1.00 0.00 O ATOM 852 CB CYS A 54 5.931 6.214 3.332 1.00 0.00 C ATOM 853 SG CYS A 54 4.875 5.187 2.245 1.00 0.00 S ATOM 0 H CYS A 54 3.105 7.067 3.943 1.00 0.00 H new ATOM 0 HA CYS A 54 5.798 7.470 5.018 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.684 6.711 2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.463 5.559 4.022 1.00 0.00 H new ATOM 858 N ASN A 55 5.943 9.476 3.527 1.00 0.00 N ATOM 859 CA ASN A 55 5.895 10.755 2.838 1.00 0.00 C ATOM 860 C ASN A 55 6.915 10.753 1.698 1.00 0.00 C ATOM 861 O ASN A 55 7.682 11.704 1.545 1.00 0.00 O ATOM 862 CB ASN A 55 6.246 11.904 3.785 1.00 0.00 C ATOM 863 CG ASN A 55 7.598 11.665 4.460 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.643 12.066 3.973 1.00 0.00 O ATOM 865 ND2 ASN A 55 7.521 10.992 5.604 1.00 0.00 N ATOM 0 H ASN A 55 6.750 9.351 4.138 1.00 0.00 H new ATOM 0 HA ASN A 55 4.883 10.897 2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.273 12.842 3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.470 12.005 4.543 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.369 10.782 6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.614 10.685 5.955 1.00 0.00 H new ATOM 872 N THR A 56 6.892 9.676 0.927 1.00 0.00 N ATOM 873 CA THR A 56 7.806 9.539 -0.195 1.00 0.00 C ATOM 874 C THR A 56 7.043 9.130 -1.456 1.00 0.00 C ATOM 875 O THR A 56 6.021 8.450 -1.376 1.00 0.00 O ATOM 876 CB THR A 56 8.898 8.545 0.204 1.00 0.00 C ATOM 877 OG1 THR A 56 8.251 7.667 1.121 1.00 0.00 O ATOM 878 CG2 THR A 56 10.008 9.196 1.033 1.00 0.00 C ATOM 0 H THR A 56 6.255 8.890 1.057 1.00 0.00 H new ATOM 0 HA THR A 56 8.283 10.489 -0.435 1.00 0.00 H new ATOM 0 HB THR A 56 9.328 8.100 -0.693 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.888 6.989 1.429 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.757 8.447 1.290 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.475 9.993 0.454 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.583 9.612 1.946 1.00 0.00 H new ATOM 886 N ASP A 57 7.570 9.561 -2.593 1.00 0.00 N ATOM 887 CA ASP A 57 6.952 9.248 -3.870 1.00 0.00 C ATOM 888 C ASP A 57 7.049 7.743 -4.124 1.00 0.00 C ATOM 889 O ASP A 57 8.071 7.125 -3.828 1.00 0.00 O ATOM 890 CB ASP A 57 7.663 9.968 -5.018 1.00 0.00 C ATOM 891 CG ASP A 57 7.536 11.493 -5.003 1.00 0.00 C ATOM 892 OD1 ASP A 57 6.478 11.978 -5.456 1.00 0.00 O ATOM 893 OD2 ASP A 57 8.501 12.138 -4.538 1.00 0.00 O ATOM 0 H ASP A 57 8.418 10.124 -2.656 1.00 0.00 H new ATOM 0 HA ASP A 57 5.912 9.573 -3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.721 9.706 -4.991 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.266 9.595 -5.962 1.00 0.00 H new ATOM 898 N LYS A 58 5.973 7.196 -4.669 1.00 0.00 N ATOM 899 CA LYS A 58 5.924 5.774 -4.966 1.00 0.00 C ATOM 900 C LYS A 58 6.521 4.992 -3.794 1.00 0.00 C ATOM 901 O LYS A 58 7.445 4.202 -3.977 1.00 0.00 O ATOM 902 CB LYS A 58 6.600 5.484 -6.307 1.00 0.00 C ATOM 903 CG LYS A 58 5.860 6.172 -7.456 1.00 0.00 C ATOM 904 CD LYS A 58 6.528 5.870 -8.798 1.00 0.00 C ATOM 905 CE LYS A 58 7.697 6.822 -9.056 1.00 0.00 C ATOM 906 NZ LYS A 58 7.203 8.124 -9.558 1.00 0.00 N ATOM 0 H LYS A 58 5.128 7.712 -4.913 1.00 0.00 H new ATOM 0 HA LYS A 58 4.892 5.443 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.634 5.828 -6.279 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.626 4.408 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.823 5.836 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.843 7.249 -7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.885 4.840 -8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.796 5.961 -9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.262 6.971 -8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.380 6.381 -9.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.010 8.753 -9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.668 7.977 -10.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.583 8.558 -8.845 1.00 0.00 H new ATOM 920 N CYS A 59 5.967 5.240 -2.616 1.00 0.00 N ATOM 921 CA CYS A 59 6.433 4.569 -1.414 1.00 0.00 C ATOM 922 C CYS A 59 5.472 3.421 -1.102 1.00 0.00 C ATOM 923 O CYS A 59 5.904 2.313 -0.789 1.00 0.00 O ATOM 924 CB CYS A 59 6.564 5.540 -0.239 1.00 0.00 C ATOM 925 SG CYS A 59 4.975 6.132 0.449 1.00 0.00 S ATOM 0 H CYS A 59 5.200 5.896 -2.468 1.00 0.00 H new ATOM 0 HA CYS A 59 7.433 4.169 -1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.129 5.052 0.556 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.148 6.402 -0.562 1.00 0.00 H new ATOM 930 N ASN A 60 4.186 3.726 -1.198 1.00 0.00 N ATOM 931 CA ASN A 60 3.159 2.733 -0.929 1.00 0.00 C ATOM 932 C ASN A 60 2.995 1.832 -2.154 1.00 0.00 C ATOM 933 O ASN A 60 3.941 1.632 -2.914 1.00 0.00 O ATOM 934 CB ASN A 60 1.811 3.398 -0.646 1.00 0.00 C ATOM 935 CG ASN A 60 1.253 4.063 -1.906 1.00 0.00 C ATOM 936 OD1 ASN A 60 1.933 4.229 -2.905 1.00 0.00 O ATOM 937 ND2 ASN A 60 -0.020 4.435 -1.803 1.00 0.00 N ATOM 0 H ASN A 60 3.832 4.646 -1.458 1.00 0.00 H new ATOM 0 HA ASN A 60 3.466 2.157 -0.056 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.104 2.654 -0.280 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.927 4.142 0.142 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.484 4.889 -2.590 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.532 4.266 -0.937 1.00 0.00 H new TER 944 ASN A 60 HETATM 945 O HOH A 61 0.087 -7.928 3.347 1.00 0.00 O HETATM 948 O HOH A 62 7.226 -12.527 5.249 1.00 0.00 O