USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ -163:sc= -0.221 (180deg=-0.545) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.235 X(o=-0.23,f=-0.26) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -6.42! C(o=-6.4!,f=-6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -156:sc= -1.99 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0721) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.053 0.680 -0.485 1.00 0.00 N ATOM 2 CA GLU A 1 2.238 0.052 -1.057 1.00 0.00 C ATOM 3 C GLU A 1 1.856 -1.149 -1.918 1.00 0.00 C ATOM 4 O GLU A 1 1.084 -2.010 -1.494 1.00 0.00 O ATOM 5 CB GLU A 1 3.196 -0.386 0.052 1.00 0.00 C ATOM 6 CG GLU A 1 3.770 0.771 0.853 1.00 0.00 C ATOM 7 CD GLU A 1 2.856 1.211 1.980 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.705 0.446 2.955 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.291 2.321 1.886 1.00 0.00 O ATOM 0 H1 GLU A 1 1.293 1.636 -0.153 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.309 0.742 -1.209 1.00 0.00 H new ATOM 0 H3 GLU A 1 0.711 0.111 0.315 1.00 0.00 H new ATOM 0 HA GLU A 1 2.737 0.786 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.671 -1.060 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.015 -0.953 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.735 0.478 1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.951 1.615 0.187 1.00 0.00 H new ATOM 16 N CYS A 2 2.401 -1.200 -3.128 1.00 0.00 N ATOM 17 CA CYS A 2 2.117 -2.293 -4.050 1.00 0.00 C ATOM 18 C CYS A 2 2.872 -3.556 -3.644 1.00 0.00 C ATOM 19 O CYS A 2 4.080 -3.522 -3.408 1.00 0.00 O ATOM 20 CB CYS A 2 2.497 -1.896 -5.478 1.00 0.00 C ATOM 21 SG CYS A 2 2.127 -0.160 -5.890 1.00 0.00 S ATOM 0 H CYS A 2 3.043 -0.496 -3.494 1.00 0.00 H new ATOM 0 HA CYS A 2 1.048 -2.500 -4.010 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.563 -2.073 -5.622 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.969 -2.545 -6.177 1.00 0.00 H new ATOM 26 N LEU A 3 2.151 -4.669 -3.566 1.00 0.00 N ATOM 27 CA LEU A 3 2.751 -5.944 -3.189 1.00 0.00 C ATOM 28 C LEU A 3 2.798 -6.897 -4.379 1.00 0.00 C ATOM 29 O LEU A 3 1.871 -7.676 -4.598 1.00 0.00 O ATOM 30 CB LEU A 3 1.965 -6.581 -2.041 1.00 0.00 C ATOM 31 CG LEU A 3 1.115 -5.628 -1.200 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.086 -6.357 -0.617 1.00 0.00 C ATOM 33 CD2 LEU A 3 1.951 -5.004 -0.093 1.00 0.00 C ATOM 0 H LEU A 3 1.150 -4.714 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 3 3.772 -5.753 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.312 -7.348 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.670 -7.086 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 3 0.751 -4.830 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.679 -5.663 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.698 -6.755 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.257 -7.176 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.330 -4.329 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.345 -5.789 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.778 -4.446 -0.532 1.00 0.00 H new ATOM 45 N GLU A 4 3.884 -6.830 -5.142 1.00 0.00 N ATOM 46 CA GLU A 4 4.051 -7.688 -6.309 1.00 0.00 C ATOM 47 C GLU A 4 4.816 -8.957 -5.946 1.00 0.00 C ATOM 48 O GLU A 4 4.769 -9.952 -6.670 1.00 0.00 O ATOM 49 CB GLU A 4 4.786 -6.937 -7.421 1.00 0.00 C ATOM 50 CG GLU A 4 6.269 -6.744 -7.149 1.00 0.00 C ATOM 51 CD GLU A 4 6.902 -5.716 -8.065 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.222 -4.724 -8.404 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.077 -5.903 -8.444 1.00 0.00 O ATOM 0 H GLU A 4 4.661 -6.191 -4.973 1.00 0.00 H new ATOM 0 HA GLU A 4 3.060 -7.971 -6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.665 -7.482 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.320 -5.961 -7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.407 -6.435 -6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.783 -7.697 -7.269 1.00 0.00 H new ATOM 60 N ILE A 5 5.521 -8.914 -4.820 1.00 0.00 N ATOM 61 CA ILE A 5 6.296 -10.060 -4.360 1.00 0.00 C ATOM 62 C ILE A 5 5.392 -11.123 -3.745 1.00 0.00 C ATOM 63 O ILE A 5 5.790 -12.279 -3.593 1.00 0.00 O ATOM 64 CB ILE A 5 7.358 -9.643 -3.326 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.141 -10.866 -2.845 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.702 -8.933 -2.151 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.726 -11.690 -3.972 1.00 0.00 C ATOM 0 H ILE A 5 5.571 -8.098 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 5 6.797 -10.475 -5.235 1.00 0.00 H new ATOM 0 HB ILE A 5 8.055 -8.952 -3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.947 -10.537 -2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.483 -11.497 -2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.465 -8.644 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.184 -8.043 -2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.986 -9.603 -1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.267 -12.541 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.923 -12.049 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.410 -11.074 -4.556 1.00 0.00 H new ATOM 79 N PHE A 6 4.174 -10.725 -3.394 1.00 0.00 N ATOM 80 CA PHE A 6 3.213 -11.644 -2.795 1.00 0.00 C ATOM 81 C PHE A 6 3.028 -11.347 -1.310 1.00 0.00 C ATOM 82 O PHE A 6 2.761 -12.247 -0.513 1.00 0.00 O ATOM 83 CB PHE A 6 3.673 -13.091 -2.984 1.00 0.00 C ATOM 84 CG PHE A 6 4.479 -13.619 -1.832 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.381 -12.803 -1.169 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.334 -14.931 -1.412 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.124 -13.286 -0.109 1.00 0.00 C ATOM 88 CE2 PHE A 6 5.075 -15.421 -0.352 1.00 0.00 C ATOM 89 CZ PHE A 6 5.970 -14.596 0.301 1.00 0.00 C ATOM 0 H PHE A 6 3.829 -9.773 -3.514 1.00 0.00 H new ATOM 0 HA PHE A 6 2.255 -11.506 -3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.799 -13.726 -3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.268 -13.159 -3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.505 -11.778 -1.484 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.634 -15.579 -1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.825 -12.640 0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.954 -16.446 -0.035 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.548 -14.975 1.131 1.00 0.00 H new ATOM 99 N LYS A 7 3.173 -10.078 -0.945 1.00 0.00 N ATOM 100 CA LYS A 7 3.022 -9.659 0.444 1.00 0.00 C ATOM 101 C LYS A 7 1.549 -9.594 0.836 1.00 0.00 C ATOM 102 O LYS A 7 0.708 -9.152 0.054 1.00 0.00 O ATOM 103 CB LYS A 7 3.678 -8.294 0.661 1.00 0.00 C ATOM 104 CG LYS A 7 4.746 -8.297 1.741 1.00 0.00 C ATOM 105 CD LYS A 7 5.928 -9.169 1.355 1.00 0.00 C ATOM 106 CE LYS A 7 7.251 -8.497 1.691 1.00 0.00 C ATOM 107 NZ LYS A 7 7.703 -8.822 3.072 1.00 0.00 N ATOM 0 H LYS A 7 3.395 -9.321 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 7 3.516 -10.398 1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.123 -7.961 -0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.909 -7.568 0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.088 -7.277 1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.318 -8.657 2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.862 -10.124 1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.889 -9.384 0.287 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.011 -8.813 0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.146 -7.417 1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.608 -8.345 3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.990 -8.498 3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.828 -9.850 3.163 1.00 0.00 H new ATOM 121 N ALA A 8 1.245 -10.037 2.051 1.00 0.00 N ATOM 122 CA ALA A 8 -0.126 -10.026 2.548 1.00 0.00 C ATOM 123 C ALA A 8 -0.809 -8.696 2.243 1.00 0.00 C ATOM 124 O ALA A 8 -0.404 -7.649 2.748 1.00 0.00 O ATOM 125 CB ALA A 8 -0.148 -10.302 4.044 1.00 0.00 C ATOM 0 H ALA A 8 1.929 -10.408 2.710 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.678 -10.815 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.178 -10.291 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.293 -11.279 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.425 -9.534 4.564 1.00 0.00 H new ATOM 131 N CYS A 9 -1.846 -8.746 1.415 1.00 0.00 N ATOM 132 CA CYS A 9 -2.586 -7.546 1.042 1.00 0.00 C ATOM 133 C CYS A 9 -3.731 -7.288 2.016 1.00 0.00 C ATOM 134 O CYS A 9 -4.291 -8.219 2.593 1.00 0.00 O ATOM 135 CB CYS A 9 -3.132 -7.680 -0.381 1.00 0.00 C ATOM 136 SG CYS A 9 -4.943 -7.859 -0.468 1.00 0.00 S ATOM 0 H CYS A 9 -2.194 -9.605 0.989 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.901 -6.699 1.083 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.836 -6.803 -0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.669 -8.544 -0.857 1.00 0.00 H new ATOM 141 N ASN A 10 -4.074 -6.016 2.194 1.00 0.00 N ATOM 142 CA ASN A 10 -5.152 -5.635 3.099 1.00 0.00 C ATOM 143 C ASN A 10 -6.488 -5.589 2.364 1.00 0.00 C ATOM 144 O ASN A 10 -6.557 -5.312 1.167 1.00 0.00 O ATOM 145 CB ASN A 10 -4.858 -4.272 3.731 1.00 0.00 C ATOM 146 CG ASN A 10 -4.041 -4.389 5.003 1.00 0.00 C ATOM 147 OD1 ASN A 10 -3.165 -5.247 5.115 1.00 0.00 O ATOM 148 ND2 ASN A 10 -4.326 -3.525 5.970 1.00 0.00 N ATOM 0 H ASN A 10 -3.621 -5.232 1.724 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.215 -6.387 3.886 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.322 -3.650 3.014 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.798 -3.766 3.951 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.810 -3.556 6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.060 -2.831 5.833 1.00 0.00 H new ATOM 155 N PRO A 11 -7.576 -5.867 3.098 1.00 0.00 N ATOM 156 CA PRO A 11 -8.931 -5.863 2.537 1.00 0.00 C ATOM 157 C PRO A 11 -9.408 -4.459 2.183 1.00 0.00 C ATOM 158 O PRO A 11 -10.000 -4.242 1.126 1.00 0.00 O ATOM 159 CB PRO A 11 -9.784 -6.449 3.665 1.00 0.00 C ATOM 160 CG PRO A 11 -9.022 -6.149 4.910 1.00 0.00 C ATOM 161 CD PRO A 11 -7.569 -6.206 4.531 1.00 0.00 C ATOM 0 HA PRO A 11 -8.988 -6.425 1.605 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.775 -5.996 3.688 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.927 -7.522 3.537 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.285 -5.166 5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.250 -6.874 5.691 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.975 -5.498 5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.146 -7.195 4.708 1.00 0.00 H new ATOM 169 N SER A 12 -9.146 -3.508 3.074 1.00 0.00 N ATOM 170 CA SER A 12 -9.552 -2.124 2.857 1.00 0.00 C ATOM 171 C SER A 12 -8.366 -1.274 2.413 1.00 0.00 C ATOM 172 O SER A 12 -8.475 -0.473 1.485 1.00 0.00 O ATOM 173 CB SER A 12 -10.162 -1.543 4.134 1.00 0.00 C ATOM 174 OG SER A 12 -11.515 -1.938 4.279 1.00 0.00 O ATOM 0 H SER A 12 -8.654 -3.670 3.953 1.00 0.00 H new ATOM 0 HA SER A 12 -10.302 -2.111 2.066 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.588 -1.876 4.999 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.098 -0.455 4.109 1.00 0.00 H new ATOM 0 HG SER A 12 -11.881 -1.555 5.103 1.00 0.00 H new ATOM 180 N ASN A 13 -7.232 -1.454 3.083 1.00 0.00 N ATOM 181 CA ASN A 13 -6.025 -0.703 2.759 1.00 0.00 C ATOM 182 C ASN A 13 -5.473 -1.121 1.399 1.00 0.00 C ATOM 183 O ASN A 13 -4.664 -2.044 1.303 1.00 0.00 O ATOM 184 CB ASN A 13 -4.962 -0.915 3.840 1.00 0.00 C ATOM 185 CG ASN A 13 -4.102 0.315 4.053 1.00 0.00 C ATOM 186 OD1 ASN A 13 -2.950 0.364 3.620 1.00 0.00 O ATOM 187 ND2 ASN A 13 -4.658 1.317 4.724 1.00 0.00 N ATOM 0 H ASN A 13 -7.124 -2.114 3.854 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.285 0.355 2.717 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.449 -1.181 4.778 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.327 -1.756 3.561 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.127 2.170 4.899 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.616 1.233 5.065 1.00 0.00 H new ATOM 194 N ASP A 14 -5.915 -0.434 0.352 1.00 0.00 N ATOM 195 CA ASP A 14 -5.465 -0.732 -1.003 1.00 0.00 C ATOM 196 C ASP A 14 -3.942 -0.726 -1.083 1.00 0.00 C ATOM 197 O ASP A 14 -3.317 0.335 -1.107 1.00 0.00 O ATOM 198 CB ASP A 14 -6.044 0.282 -1.990 1.00 0.00 C ATOM 199 CG ASP A 14 -5.904 1.711 -1.502 1.00 0.00 C ATOM 200 OD1 ASP A 14 -6.760 2.154 -0.709 1.00 0.00 O ATOM 201 OD2 ASP A 14 -4.936 2.385 -1.913 1.00 0.00 O ATOM 0 H ASP A 14 -6.584 0.333 0.415 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.821 -1.728 -1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.540 0.178 -2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.098 0.060 -2.158 1.00 0.00 H new ATOM 206 N GLN A 15 -3.351 -1.916 -1.123 1.00 0.00 N ATOM 207 CA GLN A 15 -1.901 -2.046 -1.198 1.00 0.00 C ATOM 208 C GLN A 15 -1.445 -2.225 -2.643 1.00 0.00 C ATOM 209 O GLN A 15 -0.757 -1.367 -3.198 1.00 0.00 O ATOM 210 CB GLN A 15 -1.430 -3.230 -0.352 1.00 0.00 C ATOM 211 CG GLN A 15 -1.420 -2.945 1.141 1.00 0.00 C ATOM 212 CD GLN A 15 -0.399 -3.780 1.888 1.00 0.00 C ATOM 213 OE1 GLN A 15 0.765 -3.398 2.008 1.00 0.00 O ATOM 214 NE2 GLN A 15 -0.831 -4.928 2.397 1.00 0.00 N ATOM 0 H GLN A 15 -3.854 -2.803 -1.105 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.458 -1.130 -0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.078 -4.085 -0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.425 -3.513 -0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.208 -1.888 1.304 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.411 -3.138 1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.805 -5.206 2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.189 -5.532 2.911 1.00 0.00 H new ATOM 223 N CYS A 16 -1.831 -3.343 -3.246 1.00 0.00 N ATOM 224 CA CYS A 16 -1.462 -3.636 -4.626 1.00 0.00 C ATOM 225 C CYS A 16 -1.546 -2.380 -5.489 1.00 0.00 C ATOM 226 O CYS A 16 -2.352 -1.487 -5.228 1.00 0.00 O ATOM 227 CB CYS A 16 -2.371 -4.725 -5.199 1.00 0.00 C ATOM 228 SG CYS A 16 -2.821 -6.023 -4.004 1.00 0.00 S ATOM 0 H CYS A 16 -2.400 -4.063 -2.800 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.432 -3.992 -4.633 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.283 -4.261 -5.576 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.873 -5.188 -6.051 1.00 0.00 H new ATOM 233 N CYS A 17 -0.709 -2.320 -6.519 1.00 0.00 N ATOM 234 CA CYS A 17 -0.688 -1.176 -7.422 1.00 0.00 C ATOM 235 C CYS A 17 -1.947 -1.138 -8.283 1.00 0.00 C ATOM 236 O CYS A 17 -2.859 -1.946 -8.105 1.00 0.00 O ATOM 237 CB CYS A 17 0.553 -1.228 -8.315 1.00 0.00 C ATOM 238 SG CYS A 17 1.845 -0.025 -7.865 1.00 0.00 S ATOM 0 H CYS A 17 -0.036 -3.051 -6.749 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.656 -0.269 -6.818 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.976 -2.232 -8.273 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.252 -1.052 -9.348 1.00 0.00 H new ATOM 243 N LYS A 18 -1.990 -0.195 -9.218 1.00 0.00 N ATOM 244 CA LYS A 18 -3.135 -0.051 -10.108 1.00 0.00 C ATOM 245 C LYS A 18 -2.885 -0.763 -11.435 1.00 0.00 C ATOM 246 O LYS A 18 -3.419 -1.844 -11.680 1.00 0.00 O ATOM 247 CB LYS A 18 -3.430 1.429 -10.359 1.00 0.00 C ATOM 248 CG LYS A 18 -3.611 2.238 -9.086 1.00 0.00 C ATOM 249 CD LYS A 18 -4.485 1.506 -8.081 1.00 0.00 C ATOM 250 CE LYS A 18 -4.858 2.403 -6.910 1.00 0.00 C ATOM 251 NZ LYS A 18 -5.697 1.689 -5.909 1.00 0.00 N ATOM 0 H LYS A 18 -1.244 0.482 -9.379 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.998 -0.510 -9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.615 1.860 -10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.332 1.513 -10.964 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.637 2.442 -8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.060 3.202 -9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.391 1.153 -8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.959 0.625 -7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.951 2.768 -6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.397 3.276 -7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.930 2.334 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.575 1.363 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.174 0.870 -5.538 1.00 0.00 H new ATOM 265 N SER A 19 -2.070 -0.148 -12.286 1.00 0.00 N ATOM 266 CA SER A 19 -1.751 -0.722 -13.588 1.00 0.00 C ATOM 267 C SER A 19 -1.065 -2.076 -13.432 1.00 0.00 C ATOM 268 O SER A 19 -1.039 -2.882 -14.362 1.00 0.00 O ATOM 269 CB SER A 19 -0.854 0.229 -14.382 1.00 0.00 C ATOM 270 OG SER A 19 -1.556 1.402 -14.753 1.00 0.00 O ATOM 0 H SER A 19 -1.619 0.747 -12.097 1.00 0.00 H new ATOM 0 HA SER A 19 -2.684 -0.868 -14.132 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.017 0.497 -13.784 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.485 -0.275 -15.275 1.00 0.00 H new ATOM 0 HG SER A 19 -0.960 1.994 -15.258 1.00 0.00 H new ATOM 276 N SER A 20 -0.511 -2.318 -12.249 1.00 0.00 N ATOM 277 CA SER A 20 0.179 -3.573 -11.971 1.00 0.00 C ATOM 278 C SER A 20 -0.790 -4.750 -12.027 1.00 0.00 C ATOM 279 O SER A 20 -1.980 -4.604 -11.749 1.00 0.00 O ATOM 280 CB SER A 20 0.851 -3.516 -10.597 1.00 0.00 C ATOM 281 OG SER A 20 1.703 -2.388 -10.493 1.00 0.00 O ATOM 0 H SER A 20 -0.526 -1.663 -11.468 1.00 0.00 H new ATOM 0 HA SER A 20 0.942 -3.717 -12.736 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.090 -3.474 -9.818 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.426 -4.427 -10.432 1.00 0.00 H new ATOM 0 HG SER A 20 2.387 -2.556 -9.811 1.00 0.00 H new ATOM 287 N LYS A 21 -0.271 -5.918 -12.388 1.00 0.00 N ATOM 288 CA LYS A 21 -1.087 -7.123 -12.481 1.00 0.00 C ATOM 289 C LYS A 21 -1.180 -7.822 -11.128 1.00 0.00 C ATOM 290 O LYS A 21 -2.086 -8.622 -10.893 1.00 0.00 O ATOM 291 CB LYS A 21 -0.504 -8.080 -13.523 1.00 0.00 C ATOM 292 CG LYS A 21 -0.981 -7.803 -14.938 1.00 0.00 C ATOM 293 CD LYS A 21 -0.086 -6.799 -15.642 1.00 0.00 C ATOM 294 CE LYS A 21 1.274 -7.397 -15.969 1.00 0.00 C ATOM 295 NZ LYS A 21 1.909 -6.726 -17.137 1.00 0.00 N ATOM 0 H LYS A 21 0.712 -6.056 -12.621 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.091 -6.830 -12.789 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.584 -8.014 -13.496 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.768 -9.102 -13.253 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.001 -8.734 -15.505 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.003 -7.424 -14.911 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.567 -6.463 -16.560 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.044 -5.920 -15.010 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.927 -7.310 -15.101 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.162 -8.461 -16.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.834 -7.162 -17.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.298 -6.831 -17.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.039 -5.716 -16.928 1.00 0.00 H new ATOM 309 N LEU A 22 -0.239 -7.515 -10.242 1.00 0.00 N ATOM 310 CA LEU A 22 -0.216 -8.113 -8.912 1.00 0.00 C ATOM 311 C LEU A 22 -1.627 -8.239 -8.347 1.00 0.00 C ATOM 312 O LEU A 22 -2.241 -7.247 -7.954 1.00 0.00 O ATOM 313 CB LEU A 22 0.650 -7.274 -7.970 1.00 0.00 C ATOM 314 CG LEU A 22 1.194 -5.966 -8.544 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.445 -4.959 -7.433 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.470 -6.220 -9.333 1.00 0.00 C ATOM 0 H LEU A 22 0.518 -6.855 -10.421 1.00 0.00 H new ATOM 0 HA LEU A 22 0.212 -9.112 -8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.064 -7.041 -7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.493 -7.883 -7.645 1.00 0.00 H new ATOM 0 HG LEU A 22 0.448 -5.551 -9.221 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.832 -4.034 -7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.511 -4.754 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.172 -5.366 -6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.843 -5.278 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.222 -6.658 -8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.260 -6.906 -10.154 1.00 0.00 H new ATOM 328 N VAL A 23 -2.136 -9.467 -8.309 1.00 0.00 N ATOM 329 CA VAL A 23 -3.473 -9.724 -7.789 1.00 0.00 C ATOM 330 C VAL A 23 -3.414 -10.277 -6.369 1.00 0.00 C ATOM 331 O VAL A 23 -2.497 -11.020 -6.018 1.00 0.00 O ATOM 332 CB VAL A 23 -4.242 -10.715 -8.683 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.511 -12.047 -8.755 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.662 -10.904 -8.170 1.00 0.00 C ATOM 0 H VAL A 23 -1.642 -10.299 -8.632 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.999 -8.769 -7.782 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.296 -10.302 -9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.069 -12.734 -9.391 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.516 -11.894 -9.172 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.424 -12.469 -7.754 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.191 -11.607 -8.813 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.632 -11.295 -7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.181 -9.946 -8.176 1.00 0.00 H new ATOM 344 N CYS A 24 -4.399 -9.912 -5.556 1.00 0.00 N ATOM 345 CA CYS A 24 -4.461 -10.371 -4.174 1.00 0.00 C ATOM 346 C CYS A 24 -5.748 -11.149 -3.916 1.00 0.00 C ATOM 347 O CYS A 24 -5.785 -12.046 -3.073 1.00 0.00 O ATOM 348 CB CYS A 24 -4.370 -9.182 -3.215 1.00 0.00 C ATOM 349 SG CYS A 24 -5.376 -9.364 -1.707 1.00 0.00 S ATOM 0 H CYS A 24 -5.166 -9.299 -5.831 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.615 -11.035 -4.000 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.328 -9.039 -2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.683 -8.280 -3.741 1.00 0.00 H new ATOM 354 N SER A 25 -6.801 -10.800 -4.648 1.00 0.00 N ATOM 355 CA SER A 25 -8.091 -11.463 -4.497 1.00 0.00 C ATOM 356 C SER A 25 -8.057 -12.862 -5.103 1.00 0.00 C ATOM 357 O SER A 25 -8.324 -13.852 -4.422 1.00 0.00 O ATOM 358 CB SER A 25 -9.194 -10.634 -5.158 1.00 0.00 C ATOM 359 OG SER A 25 -10.478 -11.117 -4.802 1.00 0.00 O ATOM 0 H SER A 25 -6.786 -10.062 -5.352 1.00 0.00 H new ATOM 0 HA SER A 25 -8.303 -11.553 -3.432 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.098 -9.591 -4.858 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.078 -10.666 -6.241 1.00 0.00 H new ATOM 0 HG SER A 25 -11.165 -10.569 -5.236 1.00 0.00 H new ATOM 365 N ARG A 26 -7.727 -12.936 -6.388 1.00 0.00 N ATOM 366 CA ARG A 26 -7.659 -14.213 -7.088 1.00 0.00 C ATOM 367 C ARG A 26 -6.889 -15.242 -6.267 1.00 0.00 C ATOM 368 O ARG A 26 -7.397 -16.325 -5.974 1.00 0.00 O ATOM 369 CB ARG A 26 -6.995 -14.035 -8.455 1.00 0.00 C ATOM 370 CG ARG A 26 -7.874 -13.325 -9.471 1.00 0.00 C ATOM 371 CD ARG A 26 -7.249 -13.343 -10.857 1.00 0.00 C ATOM 372 NE ARG A 26 -7.971 -12.486 -11.794 1.00 0.00 N ATOM 373 CZ ARG A 26 -7.686 -12.409 -13.089 1.00 0.00 C ATOM 374 NH1 ARG A 26 -6.699 -13.134 -13.598 1.00 0.00 N ATOM 375 NH2 ARG A 26 -8.388 -11.606 -13.878 1.00 0.00 N ATOM 0 H ARG A 26 -7.502 -12.126 -6.966 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.677 -14.575 -7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.071 -13.471 -8.330 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.720 -15.015 -8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.852 -13.804 -9.506 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.035 -12.294 -9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.212 -13.015 -10.791 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.237 -14.365 -11.236 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.736 -11.915 -11.434 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.157 -13.752 -12.995 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.482 -13.073 -14.593 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.148 -11.047 -13.490 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.168 -11.548 -14.872 1.00 0.00 H new ATOM 389 N LYS A 27 -5.660 -14.898 -5.898 1.00 0.00 N ATOM 390 CA LYS A 27 -4.818 -15.790 -5.110 1.00 0.00 C ATOM 391 C LYS A 27 -4.979 -15.513 -3.618 1.00 0.00 C ATOM 392 O LYS A 27 -5.886 -14.791 -3.204 1.00 0.00 O ATOM 393 CB LYS A 27 -3.351 -15.631 -5.514 1.00 0.00 C ATOM 394 CG LYS A 27 -3.138 -15.555 -7.016 1.00 0.00 C ATOM 395 CD LYS A 27 -1.759 -16.057 -7.410 1.00 0.00 C ATOM 396 CE LYS A 27 -1.732 -16.538 -8.853 1.00 0.00 C ATOM 397 NZ LYS A 27 -2.142 -15.466 -9.802 1.00 0.00 N ATOM 0 H LYS A 27 -5.224 -14.006 -6.133 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.133 -16.815 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.952 -14.728 -5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.780 -16.471 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.900 -16.147 -7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.260 -14.525 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.029 -15.259 -7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.464 -16.872 -6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.728 -16.880 -9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.397 -17.394 -8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.982 -15.787 -10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.151 -15.252 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.580 -14.610 -9.622 1.00 0.00 H new ATOM 411 N THR A 28 -4.091 -16.091 -2.815 1.00 0.00 N ATOM 412 CA THR A 28 -4.134 -15.907 -1.370 1.00 0.00 C ATOM 413 C THR A 28 -4.199 -14.428 -1.006 1.00 0.00 C ATOM 414 O THR A 28 -4.064 -13.560 -1.869 1.00 0.00 O ATOM 415 CB THR A 28 -2.908 -16.539 -0.685 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.305 -17.503 -1.555 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.302 -17.205 0.624 1.00 0.00 C ATOM 0 H THR A 28 -3.333 -16.691 -3.141 1.00 0.00 H new ATOM 0 HA THR A 28 -5.036 -16.406 -1.015 1.00 0.00 H new ATOM 0 HB THR A 28 -2.191 -15.747 -0.468 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.525 -17.899 -1.113 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.419 -17.644 1.089 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.734 -16.462 1.295 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.036 -17.987 0.428 1.00 0.00 H new ATOM 425 N ARG A 29 -4.405 -14.146 0.276 1.00 0.00 N ATOM 426 CA ARG A 29 -4.487 -12.771 0.753 1.00 0.00 C ATOM 427 C ARG A 29 -3.296 -11.953 0.263 1.00 0.00 C ATOM 428 O ARG A 29 -3.358 -10.726 0.198 1.00 0.00 O ATOM 429 CB ARG A 29 -4.545 -12.742 2.282 1.00 0.00 C ATOM 430 CG ARG A 29 -5.644 -13.614 2.867 1.00 0.00 C ATOM 431 CD ARG A 29 -7.010 -13.231 2.318 1.00 0.00 C ATOM 432 NE ARG A 29 -8.082 -13.522 3.267 1.00 0.00 N ATOM 433 CZ ARG A 29 -9.338 -13.122 3.102 1.00 0.00 C ATOM 434 NH1 ARG A 29 -9.678 -12.417 2.032 1.00 0.00 N ATOM 435 NH2 ARG A 29 -10.257 -13.426 4.010 1.00 0.00 N ATOM 0 H ARG A 29 -4.518 -14.852 1.003 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.399 -12.328 0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.584 -13.068 2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.694 -11.714 2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.440 -14.660 2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.647 -13.518 3.953 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.019 -12.168 2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.192 -13.771 1.389 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.854 -14.062 4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.974 -12.180 1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.643 -12.111 1.908 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.999 -13.967 4.835 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.221 -13.118 3.883 1.00 0.00 H new ATOM 449 N ALA A 30 -2.213 -12.642 -0.081 1.00 0.00 N ATOM 450 CA ALA A 30 -1.009 -11.981 -0.566 1.00 0.00 C ATOM 451 C ALA A 30 -1.181 -11.516 -2.008 1.00 0.00 C ATOM 452 O ALA A 30 -1.836 -12.181 -2.812 1.00 0.00 O ATOM 453 CB ALA A 30 0.189 -12.912 -0.450 1.00 0.00 C ATOM 0 H ALA A 30 -2.145 -13.659 -0.033 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.833 -11.102 0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.081 -12.404 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.333 -13.191 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.012 -13.808 -1.044 1.00 0.00 H new ATOM 459 N CYS A 31 -0.591 -10.370 -2.330 1.00 0.00 N ATOM 460 CA CYS A 31 -0.680 -9.815 -3.675 1.00 0.00 C ATOM 461 C CYS A 31 0.591 -10.105 -4.469 1.00 0.00 C ATOM 462 O CYS A 31 1.684 -9.688 -4.086 1.00 0.00 O ATOM 463 CB CYS A 31 -0.921 -8.305 -3.612 1.00 0.00 C ATOM 464 SG CYS A 31 -2.108 -7.689 -4.849 1.00 0.00 S ATOM 0 H CYS A 31 -0.046 -9.807 -1.677 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.520 -10.290 -4.181 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.283 -8.047 -2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.030 -7.790 -3.749 1.00 0.00 H new ATOM 469 N LYS A 32 0.439 -10.823 -5.577 1.00 0.00 N ATOM 470 CA LYS A 32 1.572 -11.169 -6.427 1.00 0.00 C ATOM 471 C LYS A 32 1.168 -11.173 -7.897 1.00 0.00 C ATOM 472 O LYS A 32 0.017 -11.453 -8.234 1.00 0.00 O ATOM 473 CB LYS A 32 2.129 -12.540 -6.036 1.00 0.00 C ATOM 474 CG LYS A 32 1.347 -13.703 -6.621 1.00 0.00 C ATOM 475 CD LYS A 32 1.287 -14.876 -5.657 1.00 0.00 C ATOM 476 CE LYS A 32 2.385 -15.889 -5.944 1.00 0.00 C ATOM 477 NZ LYS A 32 2.598 -16.815 -4.798 1.00 0.00 N ATOM 0 H LYS A 32 -0.459 -11.177 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 32 2.346 -10.415 -6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.166 -12.609 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.132 -12.625 -4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.335 -13.377 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.811 -14.022 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.384 -14.513 -4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.314 -15.361 -5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.125 -16.464 -6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.315 -15.364 -6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.354 -17.490 -5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.871 -16.269 -3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.718 -17.335 -4.603 1.00 0.00 H new ATOM 491 N TYR A 33 2.121 -10.862 -8.769 1.00 0.00 N ATOM 492 CA TYR A 33 1.864 -10.829 -10.203 1.00 0.00 C ATOM 493 C TYR A 33 1.403 -12.193 -10.706 1.00 0.00 C ATOM 494 O TYR A 33 1.796 -13.229 -10.169 1.00 0.00 O ATOM 495 CB TYR A 33 3.121 -10.392 -10.958 1.00 0.00 C ATOM 496 CG TYR A 33 4.189 -11.460 -11.022 1.00 0.00 C ATOM 497 CD1 TYR A 33 4.966 -11.761 -9.911 1.00 0.00 C ATOM 498 CD2 TYR A 33 4.422 -12.168 -12.195 1.00 0.00 C ATOM 499 CE1 TYR A 33 5.944 -12.735 -9.965 1.00 0.00 C ATOM 500 CE2 TYR A 33 5.396 -13.145 -12.259 1.00 0.00 C ATOM 501 CZ TYR A 33 6.155 -13.425 -11.141 1.00 0.00 C ATOM 502 OH TYR A 33 7.128 -14.397 -11.199 1.00 0.00 O ATOM 0 H TYR A 33 3.079 -10.629 -8.507 1.00 0.00 H new ATOM 0 HA TYR A 33 1.068 -10.107 -10.387 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.844 -10.105 -11.973 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.534 -9.505 -10.477 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.803 -11.224 -8.988 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.831 -11.950 -13.072 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.540 -12.955 -9.092 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.563 -13.687 -13.178 1.00 0.00 H new ATOM 0 HH TYR A 33 7.147 -14.787 -12.098 1.00 0.00 H new ATOM 512 N GLN A 34 0.568 -12.185 -11.740 1.00 0.00 N ATOM 513 CA GLN A 34 0.053 -13.422 -12.315 1.00 0.00 C ATOM 514 C GLN A 34 1.139 -14.151 -13.100 1.00 0.00 C ATOM 515 O GLN A 34 1.891 -13.535 -13.855 1.00 0.00 O ATOM 516 CB GLN A 34 -1.140 -13.127 -13.227 1.00 0.00 C ATOM 517 CG GLN A 34 -0.774 -12.331 -14.469 1.00 0.00 C ATOM 518 CD GLN A 34 -1.981 -11.994 -15.322 1.00 0.00 C ATOM 519 OE1 GLN A 34 -3.095 -11.854 -14.815 1.00 0.00 O ATOM 520 NE2 GLN A 34 -1.767 -11.860 -16.626 1.00 0.00 N ATOM 0 H GLN A 34 0.234 -11.336 -12.196 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.273 -14.065 -11.497 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.596 -14.069 -13.531 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.892 -12.577 -12.661 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.275 -11.409 -14.171 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.061 -12.901 -15.064 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.828 -11.985 -17.004 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.542 -11.632 -17.249 1.00 0.00 H new ATOM 529 N ILE A 35 1.215 -15.464 -12.914 1.00 0.00 N ATOM 530 CA ILE A 35 2.209 -16.276 -13.605 1.00 0.00 C ATOM 531 C ILE A 35 1.717 -16.689 -14.988 1.00 0.00 C ATOM 532 O ILE A 35 1.235 -17.805 -15.180 1.00 0.00 O ATOM 533 CB ILE A 35 2.561 -17.541 -12.800 1.00 0.00 C ATOM 534 CG1 ILE A 35 3.023 -17.163 -11.391 1.00 0.00 C ATOM 535 CG2 ILE A 35 3.635 -18.344 -13.518 1.00 0.00 C ATOM 536 CD1 ILE A 35 3.172 -18.350 -10.465 1.00 0.00 C ATOM 0 H ILE A 35 0.601 -15.988 -12.291 1.00 0.00 H new ATOM 0 HA ILE A 35 3.102 -15.660 -13.708 1.00 0.00 H new ATOM 0 HB ILE A 35 1.668 -18.160 -12.715 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.978 -16.643 -11.458 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.308 -16.463 -10.959 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.873 -19.235 -12.937 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.271 -18.639 -14.502 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.531 -17.734 -13.630 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.502 -18.007 -9.484 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.213 -18.858 -10.368 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.909 -19.041 -10.875 1.00 0.00 H new TER 548 ILE A 35