USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 271 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 25 SER OG : rot -151:sc= 0.107 USER MOD Set 1.2: A 28 THR OG1 : rot -178:sc= 0.959 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.305 K(o=-0.31,f=-1.8) USER MOD Set 2.2: A 15 GLN : amide:sc= 0 X(o=-0.31,f=-0.31) USER MOD Single : A 1 GLU N :NH3+ -117:sc= 0.0844 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.127) USER MOD Single : A 10 ASN : amide:sc= -0.0496 K(o=-0.05,f=-0.61) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -0.0866 (180deg=-0.471) USER MOD Single : A 19 SER OG : rot -30:sc= 0.0822 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= -0.0936 (180deg=-0.295) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= -0.0949 (180deg=-0.51) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.465 0.165 0.059 1.00 0.00 N ATOM 2 CA GLU A 1 2.213 0.171 -1.193 1.00 0.00 C ATOM 3 C GLU A 1 2.830 -1.198 -1.465 1.00 0.00 C ATOM 4 O GLU A 1 2.902 -2.047 -0.575 1.00 0.00 O ATOM 5 CB GLU A 1 3.310 1.237 -1.152 1.00 0.00 C ATOM 6 CG GLU A 1 2.821 2.627 -1.522 1.00 0.00 C ATOM 7 CD GLU A 1 3.874 3.695 -1.295 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.125 4.041 -0.122 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.446 4.185 -2.292 1.00 0.00 O ATOM 0 H1 GLU A 1 0.461 0.353 -0.136 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.561 -0.764 0.517 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.839 0.902 0.690 1.00 0.00 H new ATOM 0 HA GLU A 1 1.519 0.404 -2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.739 1.266 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.111 0.949 -1.833 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.520 2.635 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.935 2.865 -0.934 1.00 0.00 H new ATOM 16 N CYS A 2 3.272 -1.407 -2.700 1.00 0.00 N ATOM 17 CA CYS A 2 3.881 -2.672 -3.092 1.00 0.00 C ATOM 18 C CYS A 2 5.207 -2.438 -3.811 1.00 0.00 C ATOM 19 O CYS A 2 5.665 -1.302 -3.937 1.00 0.00 O ATOM 20 CB CYS A 2 2.931 -3.462 -3.995 1.00 0.00 C ATOM 21 SG CYS A 2 2.130 -2.460 -5.288 1.00 0.00 S ATOM 0 H CYS A 2 3.220 -0.715 -3.448 1.00 0.00 H new ATOM 0 HA CYS A 2 4.075 -3.249 -2.188 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.486 -4.271 -4.469 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.160 -3.923 -3.378 1.00 0.00 H new ATOM 26 N LEU A 3 5.818 -3.520 -4.280 1.00 0.00 N ATOM 27 CA LEU A 3 7.091 -3.434 -4.987 1.00 0.00 C ATOM 28 C LEU A 3 6.893 -2.898 -6.401 1.00 0.00 C ATOM 29 O LEU A 3 5.764 -2.693 -6.845 1.00 0.00 O ATOM 30 CB LEU A 3 7.762 -4.808 -5.039 1.00 0.00 C ATOM 31 CG LEU A 3 8.646 -5.168 -3.845 1.00 0.00 C ATOM 32 CD1 LEU A 3 8.113 -4.527 -2.573 1.00 0.00 C ATOM 33 CD2 LEU A 3 8.737 -6.679 -3.685 1.00 0.00 C ATOM 0 H LEU A 3 5.453 -4.467 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 3 7.735 -2.743 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.985 -5.567 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.368 -4.860 -5.943 1.00 0.00 H new ATOM 0 HG LEU A 3 9.648 -4.781 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.755 -4.795 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.101 -3.443 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.100 -4.883 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.370 -6.917 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.740 -7.088 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.166 -7.115 -4.587 1.00 0.00 H new ATOM 45 N GLU A 4 7.999 -2.675 -7.104 1.00 0.00 N ATOM 46 CA GLU A 4 7.946 -2.165 -8.469 1.00 0.00 C ATOM 47 C GLU A 4 8.620 -3.132 -9.439 1.00 0.00 C ATOM 48 O GLU A 4 9.113 -4.186 -9.037 1.00 0.00 O ATOM 49 CB GLU A 4 8.619 -0.793 -8.550 1.00 0.00 C ATOM 50 CG GLU A 4 7.944 0.159 -9.523 1.00 0.00 C ATOM 51 CD GLU A 4 8.803 0.461 -10.736 1.00 0.00 C ATOM 52 OE1 GLU A 4 9.991 0.798 -10.551 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.288 0.360 -11.869 1.00 0.00 O ATOM 0 H GLU A 4 8.942 -2.839 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 4 6.898 -2.066 -8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.625 -0.341 -7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.660 -0.925 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.998 -0.273 -9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.708 1.091 -9.009 1.00 0.00 H new ATOM 60 N ILE A 5 8.636 -2.765 -10.715 1.00 0.00 N ATOM 61 CA ILE A 5 9.250 -3.599 -11.742 1.00 0.00 C ATOM 62 C ILE A 5 10.771 -3.554 -11.649 1.00 0.00 C ATOM 63 O ILE A 5 11.354 -2.523 -11.313 1.00 0.00 O ATOM 64 CB ILE A 5 8.819 -3.161 -13.154 1.00 0.00 C ATOM 65 CG1 ILE A 5 7.413 -3.678 -13.466 1.00 0.00 C ATOM 66 CG2 ILE A 5 9.815 -3.661 -14.190 1.00 0.00 C ATOM 67 CD1 ILE A 5 7.335 -5.184 -13.580 1.00 0.00 C ATOM 0 H ILE A 5 8.231 -1.896 -11.063 1.00 0.00 H new ATOM 0 HA ILE A 5 8.908 -4.619 -11.567 1.00 0.00 H new ATOM 0 HB ILE A 5 8.801 -2.072 -13.191 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.730 -3.345 -12.684 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.070 -3.233 -14.400 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.497 -3.344 -15.183 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.801 -3.249 -13.976 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.861 -4.749 -14.154 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.310 -5.479 -13.802 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.992 -5.523 -14.381 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.647 -5.637 -12.639 1.00 0.00 H new ATOM 79 N PHE A 6 11.410 -4.680 -11.952 1.00 0.00 N ATOM 80 CA PHE A 6 12.864 -4.770 -11.904 1.00 0.00 C ATOM 81 C PHE A 6 13.371 -4.629 -10.471 1.00 0.00 C ATOM 82 O PHE A 6 14.534 -4.296 -10.242 1.00 0.00 O ATOM 83 CB PHE A 6 13.493 -3.691 -12.788 1.00 0.00 C ATOM 84 CG PHE A 6 14.069 -4.224 -14.068 1.00 0.00 C ATOM 85 CD1 PHE A 6 13.334 -5.085 -14.868 1.00 0.00 C ATOM 86 CD2 PHE A 6 15.345 -3.866 -14.471 1.00 0.00 C ATOM 87 CE1 PHE A 6 13.861 -5.577 -16.047 1.00 0.00 C ATOM 88 CE2 PHE A 6 15.877 -4.356 -15.649 1.00 0.00 C ATOM 89 CZ PHE A 6 15.135 -5.213 -16.437 1.00 0.00 C ATOM 0 H PHE A 6 10.943 -5.542 -12.233 1.00 0.00 H new ATOM 0 HA PHE A 6 13.155 -5.751 -12.279 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.738 -2.940 -13.024 1.00 0.00 H new ATOM 0 HB3 PHE A 6 14.280 -3.187 -12.227 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.338 -5.375 -14.566 1.00 0.00 H new ATOM 0 HD2 PHE A 6 15.931 -3.197 -13.858 1.00 0.00 H new ATOM 0 HE1 PHE A 6 13.277 -6.245 -16.663 1.00 0.00 H new ATOM 0 HE2 PHE A 6 16.873 -4.069 -15.953 1.00 0.00 H new ATOM 0 HZ PHE A 6 15.550 -5.598 -17.357 1.00 0.00 H new ATOM 99 N LYS A 7 12.490 -4.886 -9.511 1.00 0.00 N ATOM 100 CA LYS A 7 12.846 -4.789 -8.100 1.00 0.00 C ATOM 101 C LYS A 7 13.124 -6.170 -7.513 1.00 0.00 C ATOM 102 O LYS A 7 12.434 -7.139 -7.828 1.00 0.00 O ATOM 103 CB LYS A 7 11.723 -4.107 -7.315 1.00 0.00 C ATOM 104 CG LYS A 7 11.475 -2.668 -7.735 1.00 0.00 C ATOM 105 CD LYS A 7 12.713 -1.810 -7.542 1.00 0.00 C ATOM 106 CE LYS A 7 12.404 -0.333 -7.737 1.00 0.00 C ATOM 107 NZ LYS A 7 11.595 0.217 -6.614 1.00 0.00 N ATOM 0 H LYS A 7 11.524 -5.163 -9.684 1.00 0.00 H new ATOM 0 HA LYS A 7 13.753 -4.190 -8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.803 -4.678 -7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.967 -4.130 -6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.172 -2.641 -8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.651 -2.255 -7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.115 -1.970 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.484 -2.118 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.336 0.225 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.865 -0.195 -8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.748 0.687 -6.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.307 -0.557 -5.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.164 0.906 -6.081 1.00 0.00 H new ATOM 121 N ALA A 8 14.138 -6.250 -6.658 1.00 0.00 N ATOM 122 CA ALA A 8 14.504 -7.511 -6.025 1.00 0.00 C ATOM 123 C ALA A 8 13.296 -8.164 -5.362 1.00 0.00 C ATOM 124 O ALA A 8 12.823 -7.706 -4.321 1.00 0.00 O ATOM 125 CB ALA A 8 15.611 -7.288 -5.005 1.00 0.00 C ATOM 0 H ALA A 8 14.720 -5.457 -6.388 1.00 0.00 H new ATOM 0 HA ALA A 8 14.869 -8.185 -6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.874 -8.238 -4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.487 -6.873 -5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.266 -6.593 -4.240 1.00 0.00 H new ATOM 131 N CYS A 9 12.800 -9.236 -5.971 1.00 0.00 N ATOM 132 CA CYS A 9 11.646 -9.952 -5.441 1.00 0.00 C ATOM 133 C CYS A 9 12.052 -11.328 -4.920 1.00 0.00 C ATOM 134 O CYS A 9 12.920 -11.987 -5.490 1.00 0.00 O ATOM 135 CB CYS A 9 10.571 -10.099 -6.520 1.00 0.00 C ATOM 136 SG CYS A 9 10.981 -11.310 -7.817 1.00 0.00 S ATOM 0 H CYS A 9 13.180 -9.628 -6.833 1.00 0.00 H new ATOM 0 HA CYS A 9 11.241 -9.374 -4.611 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.634 -10.393 -6.047 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.403 -9.128 -6.985 1.00 0.00 H new ATOM 141 N ASN A 10 11.416 -11.754 -3.834 1.00 0.00 N ATOM 142 CA ASN A 10 11.710 -13.051 -3.236 1.00 0.00 C ATOM 143 C ASN A 10 10.425 -13.823 -2.950 1.00 0.00 C ATOM 144 O ASN A 10 9.336 -13.254 -2.867 1.00 0.00 O ATOM 145 CB ASN A 10 12.507 -12.870 -1.942 1.00 0.00 C ATOM 146 CG ASN A 10 14.004 -12.846 -2.185 1.00 0.00 C ATOM 147 OD1 ASN A 10 14.537 -13.670 -2.929 1.00 0.00 O ATOM 148 ND2 ASN A 10 14.690 -11.899 -1.555 1.00 0.00 N ATOM 0 H ASN A 10 10.694 -11.220 -3.350 1.00 0.00 H new ATOM 0 HA ASN A 10 12.306 -13.623 -3.946 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.205 -11.941 -1.459 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.266 -13.680 -1.254 1.00 0.00 H new ATOM 0 HD21 ASN A 10 15.700 -11.834 -1.678 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.206 -11.237 -0.948 1.00 0.00 H new ATOM 155 N PRO A 11 10.553 -15.149 -2.796 1.00 0.00 N ATOM 156 CA PRO A 11 9.413 -16.027 -2.517 1.00 0.00 C ATOM 157 C PRO A 11 8.852 -15.820 -1.114 1.00 0.00 C ATOM 158 O PRO A 11 7.769 -16.308 -0.790 1.00 0.00 O ATOM 159 CB PRO A 11 10.006 -17.432 -2.654 1.00 0.00 C ATOM 160 CG PRO A 11 11.458 -17.259 -2.370 1.00 0.00 C ATOM 161 CD PRO A 11 11.821 -15.893 -2.883 1.00 0.00 C ATOM 0 HA PRO A 11 8.576 -15.835 -3.189 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.545 -18.127 -1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.843 -17.835 -3.654 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.659 -17.341 -1.302 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.047 -18.031 -2.865 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.601 -15.430 -2.278 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.194 -15.934 -3.906 1.00 0.00 H new ATOM 169 N SER A 12 9.595 -15.092 -0.286 1.00 0.00 N ATOM 170 CA SER A 12 9.172 -14.823 1.083 1.00 0.00 C ATOM 171 C SER A 12 8.695 -13.382 1.231 1.00 0.00 C ATOM 172 O SER A 12 7.819 -13.087 2.042 1.00 0.00 O ATOM 173 CB SER A 12 10.321 -15.095 2.056 1.00 0.00 C ATOM 174 OG SER A 12 9.831 -15.456 3.336 1.00 0.00 O ATOM 0 H SER A 12 10.492 -14.678 -0.539 1.00 0.00 H new ATOM 0 HA SER A 12 8.341 -15.488 1.318 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.951 -15.894 1.666 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.948 -14.207 2.140 1.00 0.00 H new ATOM 0 HG SER A 12 10.585 -15.626 3.939 1.00 0.00 H new ATOM 180 N ASN A 13 9.280 -12.487 0.441 1.00 0.00 N ATOM 181 CA ASN A 13 8.916 -11.076 0.483 1.00 0.00 C ATOM 182 C ASN A 13 8.296 -10.634 -0.839 1.00 0.00 C ATOM 183 O ASN A 13 8.686 -9.615 -1.409 1.00 0.00 O ATOM 184 CB ASN A 13 10.145 -10.220 0.795 1.00 0.00 C ATOM 185 CG ASN A 13 9.793 -8.960 1.561 1.00 0.00 C ATOM 186 OD1 ASN A 13 8.739 -8.362 1.344 1.00 0.00 O ATOM 187 ND2 ASN A 13 10.677 -8.550 2.463 1.00 0.00 N ATOM 0 H ASN A 13 10.008 -12.714 -0.236 1.00 0.00 H new ATOM 0 HA ASN A 13 8.177 -10.940 1.273 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.856 -10.808 1.375 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.641 -9.949 -0.137 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.495 -7.708 3.009 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.538 -9.077 2.610 1.00 0.00 H new ATOM 194 N ASP A 14 7.329 -11.407 -1.320 1.00 0.00 N ATOM 195 CA ASP A 14 6.653 -11.094 -2.575 1.00 0.00 C ATOM 196 C ASP A 14 5.639 -9.972 -2.381 1.00 0.00 C ATOM 197 O ASP A 14 4.441 -10.163 -2.589 1.00 0.00 O ATOM 198 CB ASP A 14 5.956 -12.339 -3.127 1.00 0.00 C ATOM 199 CG ASP A 14 5.588 -12.195 -4.590 1.00 0.00 C ATOM 200 OD1 ASP A 14 4.843 -11.250 -4.924 1.00 0.00 O ATOM 201 OD2 ASP A 14 6.043 -13.028 -5.402 1.00 0.00 O ATOM 0 H ASP A 14 6.995 -12.254 -0.861 1.00 0.00 H new ATOM 0 HA ASP A 14 7.404 -10.760 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.609 -13.203 -3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.055 -12.535 -2.546 1.00 0.00 H new ATOM 206 N GLN A 15 6.127 -8.803 -1.979 1.00 0.00 N ATOM 207 CA GLN A 15 5.262 -7.650 -1.756 1.00 0.00 C ATOM 208 C GLN A 15 4.723 -7.110 -3.076 1.00 0.00 C ATOM 209 O GLN A 15 3.819 -6.273 -3.094 1.00 0.00 O ATOM 210 CB GLN A 15 6.023 -6.551 -1.014 1.00 0.00 C ATOM 211 CG GLN A 15 5.932 -6.663 0.500 1.00 0.00 C ATOM 212 CD GLN A 15 6.316 -5.376 1.204 1.00 0.00 C ATOM 213 OE1 GLN A 15 5.468 -4.523 1.469 1.00 0.00 O ATOM 214 NE2 GLN A 15 7.599 -5.230 1.512 1.00 0.00 N ATOM 0 H GLN A 15 7.116 -8.629 -1.801 1.00 0.00 H new ATOM 0 HA GLN A 15 4.419 -7.973 -1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.072 -6.583 -1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.635 -5.580 -1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.915 -6.936 0.780 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.583 -7.468 0.841 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.267 -5.963 1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.916 -4.385 1.987 1.00 0.00 H new ATOM 223 N CYS A 16 5.283 -7.593 -4.180 1.00 0.00 N ATOM 224 CA CYS A 16 4.860 -7.158 -5.506 1.00 0.00 C ATOM 225 C CYS A 16 3.344 -7.254 -5.651 1.00 0.00 C ATOM 226 O CYS A 16 2.743 -8.283 -5.341 1.00 0.00 O ATOM 227 CB CYS A 16 5.541 -8.003 -6.584 1.00 0.00 C ATOM 228 SG CYS A 16 6.936 -7.171 -7.409 1.00 0.00 S ATOM 0 H CYS A 16 6.031 -8.286 -4.183 1.00 0.00 H new ATOM 0 HA CYS A 16 5.154 -6.116 -5.631 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.899 -8.928 -6.133 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.801 -8.280 -7.335 1.00 0.00 H new ATOM 233 N CYS A 17 2.731 -6.174 -6.126 1.00 0.00 N ATOM 234 CA CYS A 17 1.286 -6.134 -6.313 1.00 0.00 C ATOM 235 C CYS A 17 0.831 -7.236 -7.266 1.00 0.00 C ATOM 236 O CYS A 17 0.897 -7.084 -8.486 1.00 0.00 O ATOM 237 CB CYS A 17 0.858 -4.768 -6.853 1.00 0.00 C ATOM 238 SG CYS A 17 0.374 -3.577 -5.563 1.00 0.00 S ATOM 0 H CYS A 17 3.214 -5.315 -6.388 1.00 0.00 H new ATOM 0 HA CYS A 17 0.814 -6.298 -5.344 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.678 -4.345 -7.433 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.021 -4.906 -7.538 1.00 0.00 H new ATOM 243 N LYS A 18 0.368 -8.345 -6.701 1.00 0.00 N ATOM 244 CA LYS A 18 -0.101 -9.473 -7.498 1.00 0.00 C ATOM 245 C LYS A 18 -1.551 -9.271 -7.927 1.00 0.00 C ATOM 246 O LYS A 18 -2.137 -10.126 -8.591 1.00 0.00 O ATOM 247 CB LYS A 18 0.031 -10.775 -6.705 1.00 0.00 C ATOM 248 CG LYS A 18 0.142 -12.012 -7.579 1.00 0.00 C ATOM 249 CD LYS A 18 1.593 -12.374 -7.850 1.00 0.00 C ATOM 250 CE LYS A 18 1.772 -13.877 -8.004 1.00 0.00 C ATOM 251 NZ LYS A 18 1.495 -14.602 -6.733 1.00 0.00 N ATOM 0 H LYS A 18 0.307 -8.488 -5.693 1.00 0.00 H new ATOM 0 HA LYS A 18 0.519 -9.536 -8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.911 -10.713 -6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.833 -10.880 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.358 -12.849 -7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.373 -11.839 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.932 -11.871 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.218 -12.014 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.105 -14.244 -8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.790 -14.090 -8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.021 -15.499 -6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.794 -14.016 -5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.476 -14.798 -6.660 1.00 0.00 H new ATOM 265 N SER A 19 -2.123 -8.134 -7.545 1.00 0.00 N ATOM 266 CA SER A 19 -3.505 -7.821 -7.888 1.00 0.00 C ATOM 267 C SER A 19 -3.568 -6.881 -9.088 1.00 0.00 C ATOM 268 O SER A 19 -4.632 -6.668 -9.669 1.00 0.00 O ATOM 269 CB SER A 19 -4.219 -7.188 -6.692 1.00 0.00 C ATOM 270 OG SER A 19 -5.623 -7.166 -6.889 1.00 0.00 O ATOM 0 H SER A 19 -1.651 -7.414 -6.998 1.00 0.00 H new ATOM 0 HA SER A 19 -4.007 -8.752 -8.151 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.984 -7.748 -5.787 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.854 -6.172 -6.542 1.00 0.00 H new ATOM 0 HG SER A 19 -5.818 -7.096 -7.847 1.00 0.00 H new ATOM 276 N SER A 20 -2.419 -6.321 -9.454 1.00 0.00 N ATOM 277 CA SER A 20 -2.342 -5.401 -10.582 1.00 0.00 C ATOM 278 C SER A 20 -1.697 -6.074 -11.790 1.00 0.00 C ATOM 279 O SER A 20 -2.386 -6.573 -12.680 1.00 0.00 O ATOM 280 CB SER A 20 -1.548 -4.152 -10.195 1.00 0.00 C ATOM 281 OG SER A 20 -2.406 -3.124 -9.731 1.00 0.00 O ATOM 0 H SER A 20 -1.529 -6.489 -8.985 1.00 0.00 H new ATOM 0 HA SER A 20 -3.357 -5.109 -10.851 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.824 -4.403 -9.419 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.982 -3.796 -11.056 1.00 0.00 H new ATOM 0 HG SER A 20 -1.873 -2.338 -9.489 1.00 0.00 H new ATOM 287 N LYS A 21 -0.368 -6.085 -11.813 1.00 0.00 N ATOM 288 CA LYS A 21 0.373 -6.697 -12.909 1.00 0.00 C ATOM 289 C LYS A 21 1.815 -6.981 -12.499 1.00 0.00 C ATOM 290 O LYS A 21 2.689 -7.155 -13.349 1.00 0.00 O ATOM 291 CB LYS A 21 0.351 -5.786 -14.139 1.00 0.00 C ATOM 292 CG LYS A 21 0.562 -4.318 -13.812 1.00 0.00 C ATOM 293 CD LYS A 21 -0.746 -3.545 -13.847 1.00 0.00 C ATOM 294 CE LYS A 21 -1.013 -2.964 -15.227 1.00 0.00 C ATOM 295 NZ LYS A 21 -1.550 -3.989 -16.165 1.00 0.00 N ATOM 0 H LYS A 21 0.218 -5.677 -11.084 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.109 -7.643 -13.157 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.125 -6.110 -14.834 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.605 -5.902 -14.650 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.014 -4.226 -12.824 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.262 -3.883 -14.525 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.567 -4.204 -13.563 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.714 -2.741 -13.112 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.722 -2.141 -15.144 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.090 -2.549 -15.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.908 -3.521 -17.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.793 -4.654 -16.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.325 -4.509 -15.705 1.00 0.00 H new ATOM 309 N LEU A 22 2.055 -7.027 -11.194 1.00 0.00 N ATOM 310 CA LEU A 22 3.391 -7.292 -10.671 1.00 0.00 C ATOM 311 C LEU A 22 3.515 -8.737 -10.200 1.00 0.00 C ATOM 312 O LEU A 22 2.820 -9.163 -9.278 1.00 0.00 O ATOM 313 CB LEU A 22 3.707 -6.339 -9.517 1.00 0.00 C ATOM 314 CG LEU A 22 3.263 -4.888 -9.704 1.00 0.00 C ATOM 315 CD1 LEU A 22 3.923 -3.990 -8.669 1.00 0.00 C ATOM 316 CD2 LEU A 22 3.586 -4.409 -11.112 1.00 0.00 C ATOM 0 H LEU A 22 1.342 -6.884 -10.478 1.00 0.00 H new ATOM 0 HA LEU A 22 4.108 -7.129 -11.476 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.239 -6.728 -8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.784 -6.350 -9.348 1.00 0.00 H new ATOM 0 HG LEU A 22 2.183 -4.837 -9.563 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.595 -2.961 -8.818 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.641 -4.320 -7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.006 -4.045 -8.778 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.263 -3.374 -11.227 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.661 -4.475 -11.281 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.066 -5.034 -11.837 1.00 0.00 H new ATOM 328 N VAL A 23 4.408 -9.488 -10.839 1.00 0.00 N ATOM 329 CA VAL A 23 4.626 -10.885 -10.484 1.00 0.00 C ATOM 330 C VAL A 23 6.112 -11.224 -10.474 1.00 0.00 C ATOM 331 O VAL A 23 6.808 -11.044 -11.474 1.00 0.00 O ATOM 332 CB VAL A 23 3.901 -11.832 -11.459 1.00 0.00 C ATOM 333 CG1 VAL A 23 3.954 -13.265 -10.950 1.00 0.00 C ATOM 334 CG2 VAL A 23 2.463 -11.383 -11.667 1.00 0.00 C ATOM 0 H VAL A 23 4.992 -9.152 -11.605 1.00 0.00 H new ATOM 0 HA VAL A 23 4.218 -11.024 -9.483 1.00 0.00 H new ATOM 0 HB VAL A 23 4.411 -11.795 -12.422 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.437 -13.920 -11.651 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.993 -13.580 -10.858 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.470 -13.323 -9.975 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.966 -12.063 -12.359 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.938 -11.389 -10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.453 -10.374 -12.080 1.00 0.00 H new ATOM 344 N CYS A 24 6.593 -11.715 -9.337 1.00 0.00 N ATOM 345 CA CYS A 24 7.998 -12.080 -9.195 1.00 0.00 C ATOM 346 C CYS A 24 8.436 -13.008 -10.325 1.00 0.00 C ATOM 347 O CYS A 24 8.033 -14.170 -10.379 1.00 0.00 O ATOM 348 CB CYS A 24 8.237 -12.756 -7.843 1.00 0.00 C ATOM 349 SG CYS A 24 9.995 -13.005 -7.436 1.00 0.00 S ATOM 0 H CYS A 24 6.031 -11.869 -8.500 1.00 0.00 H new ATOM 0 HA CYS A 24 8.592 -11.167 -9.247 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.776 -12.153 -7.061 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.734 -13.723 -7.838 1.00 0.00 H new ATOM 354 N SER A 25 9.263 -12.486 -11.224 1.00 0.00 N ATOM 355 CA SER A 25 9.754 -13.266 -12.355 1.00 0.00 C ATOM 356 C SER A 25 10.319 -14.604 -11.888 1.00 0.00 C ATOM 357 O SER A 25 11.037 -14.672 -10.890 1.00 0.00 O ATOM 358 CB SER A 25 10.827 -12.483 -13.114 1.00 0.00 C ATOM 359 OG SER A 25 11.030 -13.021 -14.409 1.00 0.00 O ATOM 0 H SER A 25 9.608 -11.527 -11.192 1.00 0.00 H new ATOM 0 HA SER A 25 8.915 -13.459 -13.023 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.531 -11.437 -13.194 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.763 -12.507 -12.556 1.00 0.00 H new ATOM 0 HG SER A 25 11.954 -12.857 -14.690 1.00 0.00 H new ATOM 365 N ARG A 26 9.988 -15.665 -12.616 1.00 0.00 N ATOM 366 CA ARG A 26 10.461 -17.002 -12.277 1.00 0.00 C ATOM 367 C ARG A 26 11.899 -17.205 -12.744 1.00 0.00 C ATOM 368 O ARG A 26 12.742 -17.701 -11.997 1.00 0.00 O ATOM 369 CB ARG A 26 9.555 -18.061 -12.907 1.00 0.00 C ATOM 370 CG ARG A 26 9.883 -19.480 -12.471 1.00 0.00 C ATOM 371 CD ARG A 26 8.995 -20.497 -13.171 1.00 0.00 C ATOM 372 NE ARG A 26 7.577 -20.241 -12.933 1.00 0.00 N ATOM 373 CZ ARG A 26 6.938 -20.612 -11.830 1.00 0.00 C ATOM 374 NH1 ARG A 26 7.587 -21.252 -10.867 1.00 0.00 N ATOM 375 NH2 ARG A 26 5.646 -20.342 -11.687 1.00 0.00 N ATOM 0 H ARG A 26 9.394 -15.625 -13.444 1.00 0.00 H new ATOM 0 HA ARG A 26 10.431 -17.106 -11.192 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.519 -17.841 -12.649 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.634 -17.996 -13.992 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.929 -19.697 -12.690 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.758 -19.568 -11.392 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.193 -20.474 -14.243 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.246 -21.499 -12.822 1.00 0.00 H new ATOM 0 HE ARG A 26 7.048 -19.750 -13.654 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.580 -21.461 -10.972 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.093 -21.536 -10.021 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.143 -19.849 -12.425 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.156 -20.628 -10.839 1.00 0.00 H new ATOM 389 N LYS A 27 12.173 -16.818 -13.986 1.00 0.00 N ATOM 390 CA LYS A 27 13.509 -16.955 -14.554 1.00 0.00 C ATOM 391 C LYS A 27 14.499 -16.037 -13.845 1.00 0.00 C ATOM 392 O LYS A 27 15.529 -16.487 -13.342 1.00 0.00 O ATOM 393 CB LYS A 27 13.484 -16.638 -16.051 1.00 0.00 C ATOM 394 CG LYS A 27 14.863 -16.579 -16.683 1.00 0.00 C ATOM 395 CD LYS A 27 14.799 -16.805 -18.184 1.00 0.00 C ATOM 396 CE LYS A 27 14.746 -18.287 -18.523 1.00 0.00 C ATOM 397 NZ LYS A 27 16.004 -18.988 -18.143 1.00 0.00 N ATOM 0 H LYS A 27 11.487 -16.407 -14.619 1.00 0.00 H new ATOM 0 HA LYS A 27 13.833 -17.986 -14.413 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.890 -17.395 -16.564 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.983 -15.682 -16.203 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.316 -15.609 -16.479 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.505 -17.333 -16.228 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.920 -16.306 -18.591 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.670 -16.353 -18.658 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.903 -18.748 -18.007 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.571 -18.409 -19.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.104 -19.854 -18.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.816 -18.363 -18.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.972 -19.237 -17.134 1.00 0.00 H new ATOM 411 N THR A 28 14.180 -14.747 -13.807 1.00 0.00 N ATOM 412 CA THR A 28 15.041 -13.765 -13.160 1.00 0.00 C ATOM 413 C THR A 28 14.692 -13.616 -11.684 1.00 0.00 C ATOM 414 O THR A 28 13.726 -14.208 -11.202 1.00 0.00 O ATOM 415 CB THR A 28 14.936 -12.389 -13.842 1.00 0.00 C ATOM 416 OG1 THR A 28 13.629 -11.840 -13.640 1.00 0.00 O ATOM 417 CG2 THR A 28 15.219 -12.500 -15.333 1.00 0.00 C ATOM 0 H THR A 28 13.331 -14.358 -14.217 1.00 0.00 H new ATOM 0 HA THR A 28 16.063 -14.131 -13.254 1.00 0.00 H new ATOM 0 HB THR A 28 15.680 -11.730 -13.395 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.559 -10.982 -14.108 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.139 -11.515 -15.793 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.225 -12.890 -15.484 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.496 -13.174 -15.791 1.00 0.00 H new ATOM 425 N ARG A 29 15.483 -12.822 -10.970 1.00 0.00 N ATOM 426 CA ARG A 29 15.257 -12.595 -9.548 1.00 0.00 C ATOM 427 C ARG A 29 14.510 -11.285 -9.318 1.00 0.00 C ATOM 428 O ARG A 29 14.138 -10.961 -8.190 1.00 0.00 O ATOM 429 CB ARG A 29 16.589 -12.574 -8.795 1.00 0.00 C ATOM 430 CG ARG A 29 17.281 -13.926 -8.743 1.00 0.00 C ATOM 431 CD ARG A 29 18.187 -14.042 -7.527 1.00 0.00 C ATOM 432 NE ARG A 29 19.276 -13.070 -7.561 1.00 0.00 N ATOM 433 CZ ARG A 29 20.000 -12.739 -6.498 1.00 0.00 C ATOM 434 NH1 ARG A 29 19.751 -13.299 -5.322 1.00 0.00 N ATOM 435 NH2 ARG A 29 20.975 -11.846 -6.609 1.00 0.00 N ATOM 0 H ARG A 29 16.287 -12.325 -11.354 1.00 0.00 H new ATOM 0 HA ARG A 29 14.645 -13.413 -9.168 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.254 -11.853 -9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.416 -12.225 -7.777 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.533 -14.718 -8.717 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.868 -14.071 -9.650 1.00 0.00 H new ATOM 0 HD2 ARG A 29 17.599 -13.895 -6.621 1.00 0.00 H new ATOM 0 HD3 ARG A 29 18.601 -15.049 -7.478 1.00 0.00 H new ATOM 0 HE ARG A 29 19.493 -12.620 -8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 29 19.002 -13.986 -5.232 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.308 -13.043 -4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 29 21.169 -11.413 -7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 29 21.530 -11.593 -5.792 1.00 0.00 H new ATOM 449 N TRP A 30 14.294 -10.537 -10.394 1.00 0.00 N ATOM 450 CA TRP A 30 13.591 -9.261 -10.309 1.00 0.00 C ATOM 451 C TRP A 30 12.139 -9.410 -10.749 1.00 0.00 C ATOM 452 O TRP A 30 11.830 -10.187 -11.654 1.00 0.00 O ATOM 453 CB TRP A 30 14.293 -8.211 -11.171 1.00 0.00 C ATOM 454 CG TRP A 30 14.559 -8.672 -12.572 1.00 0.00 C ATOM 455 CD1 TRP A 30 13.630 -8.949 -13.534 1.00 0.00 C ATOM 456 CD2 TRP A 30 15.839 -8.913 -13.166 1.00 0.00 C ATOM 457 NE1 TRP A 30 14.255 -9.347 -14.691 1.00 0.00 N ATOM 458 CE2 TRP A 30 15.610 -9.332 -14.492 1.00 0.00 C ATOM 459 CE3 TRP A 30 17.156 -8.813 -12.709 1.00 0.00 C ATOM 460 CZ2 TRP A 30 16.650 -9.652 -15.361 1.00 0.00 C ATOM 461 CZ3 TRP A 30 18.187 -9.130 -13.573 1.00 0.00 C ATOM 462 CH2 TRP A 30 17.929 -9.545 -14.887 1.00 0.00 C ATOM 0 H TRP A 30 14.595 -10.791 -11.335 1.00 0.00 H new ATOM 0 HA TRP A 30 13.604 -8.935 -9.269 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.681 -7.310 -11.203 1.00 0.00 H new ATOM 0 HB3 TRP A 30 15.238 -7.938 -10.701 1.00 0.00 H new ATOM 0 HD1 TRP A 30 12.561 -8.867 -13.404 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.786 -9.611 -15.558 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.364 -8.494 -11.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.454 -9.973 -16.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.209 -9.057 -13.230 1.00 0.00 H new ATOM 0 HH2 TRP A 30 18.756 -9.785 -15.538 1.00 0.00 H new ATOM 473 N CYS A 31 11.250 -8.661 -10.105 1.00 0.00 N ATOM 474 CA CYS A 31 9.830 -8.709 -10.430 1.00 0.00 C ATOM 475 C CYS A 31 9.587 -8.280 -11.874 1.00 0.00 C ATOM 476 O CYS A 31 10.260 -7.386 -12.389 1.00 0.00 O ATOM 477 CB CYS A 31 9.037 -7.810 -9.479 1.00 0.00 C ATOM 478 SG CYS A 31 7.461 -8.530 -8.916 1.00 0.00 S ATOM 0 H CYS A 31 11.489 -8.013 -9.354 1.00 0.00 H new ATOM 0 HA CYS A 31 9.491 -9.738 -10.314 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.654 -7.587 -8.608 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.834 -6.862 -9.977 1.00 0.00 H new ATOM 483 N ALA A 32 8.622 -8.923 -12.523 1.00 0.00 N ATOM 484 CA ALA A 32 8.288 -8.607 -13.906 1.00 0.00 C ATOM 485 C ALA A 32 6.786 -8.413 -14.078 1.00 0.00 C ATOM 486 O ALA A 32 6.035 -8.410 -13.102 1.00 0.00 O ATOM 487 CB ALA A 32 8.791 -9.703 -14.834 1.00 0.00 C ATOM 0 H ALA A 32 8.057 -9.667 -12.113 1.00 0.00 H new ATOM 0 HA ALA A 32 8.780 -7.670 -14.168 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.535 -9.454 -15.864 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.873 -9.790 -14.741 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.326 -10.651 -14.563 1.00 0.00 H new ATOM 493 N TYR A 33 6.354 -8.252 -15.324 1.00 0.00 N ATOM 494 CA TYR A 33 4.940 -8.055 -15.623 1.00 0.00 C ATOM 495 C TYR A 33 4.380 -9.236 -16.410 1.00 0.00 C ATOM 496 O TYR A 33 3.321 -9.768 -16.080 1.00 0.00 O ATOM 497 CB TYR A 33 4.741 -6.761 -16.413 1.00 0.00 C ATOM 498 CG TYR A 33 5.789 -6.534 -17.479 1.00 0.00 C ATOM 499 CD1 TYR A 33 7.005 -5.938 -17.169 1.00 0.00 C ATOM 500 CD2 TYR A 33 5.564 -6.916 -18.796 1.00 0.00 C ATOM 501 CE1 TYR A 33 7.966 -5.728 -18.140 1.00 0.00 C ATOM 502 CE2 TYR A 33 6.519 -6.712 -19.773 1.00 0.00 C ATOM 503 CZ TYR A 33 7.718 -6.117 -19.440 1.00 0.00 C ATOM 504 OH TYR A 33 8.672 -5.911 -20.409 1.00 0.00 O ATOM 0 H TYR A 33 6.962 -8.254 -16.143 1.00 0.00 H new ATOM 0 HA TYR A 33 4.401 -7.983 -14.678 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.757 -6.779 -16.881 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.750 -5.918 -15.722 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.203 -5.634 -16.152 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.626 -7.381 -19.060 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.906 -5.262 -17.882 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.328 -7.017 -20.791 1.00 0.00 H new ATOM 0 HH TYR A 33 8.341 -6.243 -21.270 1.00 0.00 H new ATOM 514 N GLN A 34 5.101 -9.639 -17.452 1.00 0.00 N ATOM 515 CA GLN A 34 4.676 -10.757 -18.286 1.00 0.00 C ATOM 516 C GLN A 34 3.228 -10.584 -18.733 1.00 0.00 C ATOM 517 O GLN A 34 2.361 -11.386 -18.383 1.00 0.00 O ATOM 518 CB GLN A 34 4.835 -12.076 -17.528 1.00 0.00 C ATOM 519 CG GLN A 34 6.254 -12.620 -17.543 1.00 0.00 C ATOM 520 CD GLN A 34 6.315 -14.101 -17.224 1.00 0.00 C ATOM 521 OE1 GLN A 34 5.944 -14.941 -18.044 1.00 0.00 O ATOM 522 NE2 GLN A 34 6.786 -14.429 -16.026 1.00 0.00 N ATOM 0 H GLN A 34 5.980 -9.209 -17.738 1.00 0.00 H new ATOM 0 HA GLN A 34 5.310 -10.777 -19.172 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.521 -11.931 -16.494 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.166 -12.818 -17.963 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.696 -12.445 -18.524 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.857 -12.071 -16.820 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.082 -13.700 -15.377 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.851 -15.410 -15.755 1.00 0.00 H new ATOM 531 N ILE A 35 2.974 -9.534 -19.505 1.00 0.00 N ATOM 532 CA ILE A 35 1.631 -9.257 -20.000 1.00 0.00 C ATOM 533 C ILE A 35 1.220 -10.264 -21.069 1.00 0.00 C ATOM 534 O ILE A 35 0.140 -10.851 -21.002 1.00 0.00 O ATOM 535 CB ILE A 35 1.527 -7.835 -20.582 1.00 0.00 C ATOM 536 CG1 ILE A 35 0.065 -7.480 -20.861 1.00 0.00 C ATOM 537 CG2 ILE A 35 2.357 -7.721 -21.852 1.00 0.00 C ATOM 538 CD1 ILE A 35 -0.713 -7.105 -19.619 1.00 0.00 C ATOM 0 H ILE A 35 3.680 -8.861 -19.802 1.00 0.00 H new ATOM 0 HA ILE A 35 0.957 -9.341 -19.147 1.00 0.00 H new ATOM 0 HB ILE A 35 1.919 -7.129 -19.850 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.029 -6.650 -21.567 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.421 -8.329 -21.342 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.274 -6.710 -22.252 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.401 -7.936 -21.625 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.992 -8.435 -22.591 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.741 -6.866 -19.892 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.708 -7.942 -18.920 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.251 -6.237 -19.149 1.00 0.00 H new TER 550 ILE A 35