USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 281 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 13 ASN : amide:sc= 0 X(o=0,f=0.49) USER MOD Set 1.2: A 15 GLN : amide:sc= 0 K(o=0,f=0.94) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000472) USER MOD Single : A 10 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.35) USER MOD Single : A 12 SER OG : rot 180:sc= 0 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 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 116:sc= -0.852 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= -0.0487 K(o=-0.049,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -4.561 11.229 -5.370 1.00 0.00 N ATOM 2 CA GLU A 1 -4.206 9.964 -6.079 1.00 0.00 C ATOM 3 C GLU A 1 -3.521 8.989 -5.110 1.00 0.00 C ATOM 4 O GLU A 1 -2.314 9.006 -4.944 1.00 0.00 O ATOM 5 CB GLU A 1 -3.246 10.389 -7.197 1.00 0.00 C ATOM 6 CG GLU A 1 -2.940 9.190 -8.100 1.00 0.00 C ATOM 7 CD GLU A 1 -1.448 9.174 -8.441 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.077 9.806 -9.417 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.702 8.532 -7.719 1.00 0.00 O ATOM 0 H1 GLU A 1 -5.024 11.881 -6.035 1.00 0.00 H new ATOM 0 H2 GLU A 1 -5.209 11.017 -4.585 1.00 0.00 H new ATOM 0 H3 GLU A 1 -3.697 11.671 -4.996 1.00 0.00 H new ATOM 0 HA GLU A 1 -5.082 9.450 -6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -3.689 11.194 -7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -2.323 10.778 -6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -3.219 8.263 -7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -3.532 9.249 -9.013 1.00 0.00 H new ATOM 18 N CYS A 2 -4.286 8.140 -4.470 1.00 0.00 N ATOM 19 CA CYS A 2 -3.687 7.160 -3.511 1.00 0.00 C ATOM 20 C CYS A 2 -3.241 5.891 -4.251 1.00 0.00 C ATOM 21 O CYS A 2 -3.696 5.605 -5.344 1.00 0.00 O ATOM 22 CB CYS A 2 -4.797 6.844 -2.501 1.00 0.00 C ATOM 23 SG CYS A 2 -6.182 6.022 -3.333 1.00 0.00 S ATOM 0 H CYS A 2 -5.299 8.083 -4.570 1.00 0.00 H new ATOM 0 HA CYS A 2 -2.802 7.561 -3.018 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -4.407 6.204 -1.709 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -5.141 7.764 -2.028 1.00 0.00 H new ATOM 28 N LEU A 3 -2.353 5.133 -3.660 1.00 0.00 N ATOM 29 CA LEU A 3 -1.867 3.881 -4.318 1.00 0.00 C ATOM 30 C LEU A 3 -2.820 2.720 -4.008 1.00 0.00 C ATOM 31 O LEU A 3 -2.923 2.272 -2.880 1.00 0.00 O ATOM 32 CB LEU A 3 -0.482 3.621 -3.716 1.00 0.00 C ATOM 33 CG LEU A 3 0.514 4.667 -4.229 1.00 0.00 C ATOM 34 CD1 LEU A 3 1.661 4.815 -3.227 1.00 0.00 C ATOM 35 CD2 LEU A 3 1.075 4.219 -5.582 1.00 0.00 C ATOM 0 H LEU A 3 -1.942 5.327 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.822 3.975 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.536 3.660 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.142 2.620 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 3 0.006 5.624 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.369 5.559 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.264 5.134 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.168 3.857 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.783 4.963 -5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.582 3.261 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.259 4.114 -6.297 1.00 0.00 H new ATOM 47 N GLU A 4 -3.520 2.234 -5.004 1.00 0.00 N ATOM 48 CA GLU A 4 -4.474 1.101 -4.781 1.00 0.00 C ATOM 49 C GLU A 4 -3.707 -0.183 -4.427 1.00 0.00 C ATOM 50 O GLU A 4 -2.492 -0.199 -4.393 1.00 0.00 O ATOM 51 CB GLU A 4 -5.214 0.937 -6.114 1.00 0.00 C ATOM 52 CG GLU A 4 -6.681 0.580 -5.853 1.00 0.00 C ATOM 53 CD GLU A 4 -6.929 -0.887 -6.221 1.00 0.00 C ATOM 54 OE1 GLU A 4 -6.893 -1.198 -7.401 1.00 0.00 O ATOM 55 OE2 GLU A 4 -7.150 -1.674 -5.315 1.00 0.00 O ATOM 0 H GLU A 4 -3.472 2.574 -5.965 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.159 1.296 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.152 1.860 -6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.741 0.156 -6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.925 0.748 -4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.333 1.227 -6.440 1.00 0.00 H new ATOM 62 N ILE A 5 -4.411 -1.258 -4.164 1.00 0.00 N ATOM 63 CA ILE A 5 -3.729 -2.544 -3.814 1.00 0.00 C ATOM 64 C ILE A 5 -2.828 -2.999 -4.976 1.00 0.00 C ATOM 65 O ILE A 5 -3.073 -2.674 -6.124 1.00 0.00 O ATOM 66 CB ILE A 5 -4.874 -3.540 -3.548 1.00 0.00 C ATOM 67 CG1 ILE A 5 -4.462 -4.519 -2.433 1.00 0.00 C ATOM 68 CG2 ILE A 5 -5.235 -4.312 -4.826 1.00 0.00 C ATOM 69 CD1 ILE A 5 -3.520 -5.601 -2.977 1.00 0.00 C ATOM 0 H ILE A 5 -5.430 -1.300 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.076 -2.456 -2.946 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.754 -2.982 -3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.970 -3.974 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.350 -4.985 -2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.046 -5.009 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.553 -3.610 -5.597 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.363 -4.865 -5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.243 -6.281 -2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.024 -6.160 -3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.623 -5.132 -3.381 1.00 0.00 H new ATOM 81 N PHE A 6 -1.781 -3.736 -4.676 1.00 0.00 N ATOM 82 CA PHE A 6 -0.837 -4.216 -5.740 1.00 0.00 C ATOM 83 C PHE A 6 -0.256 -3.027 -6.523 1.00 0.00 C ATOM 84 O PHE A 6 -0.027 -3.108 -7.716 1.00 0.00 O ATOM 85 CB PHE A 6 -1.667 -5.125 -6.660 1.00 0.00 C ATOM 86 CG PHE A 6 -1.851 -6.482 -6.016 1.00 0.00 C ATOM 87 CD1 PHE A 6 -0.754 -7.157 -5.463 1.00 0.00 C ATOM 88 CD2 PHE A 6 -3.123 -7.067 -5.975 1.00 0.00 C ATOM 89 CE1 PHE A 6 -0.931 -8.412 -4.869 1.00 0.00 C ATOM 90 CE2 PHE A 6 -3.299 -8.322 -5.381 1.00 0.00 C ATOM 91 CZ PHE A 6 -2.203 -8.994 -4.828 1.00 0.00 C ATOM 0 H PHE A 6 -1.538 -4.028 -3.729 1.00 0.00 H new ATOM 0 HA PHE A 6 0.010 -4.753 -5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.639 -4.670 -6.854 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.168 -5.235 -7.623 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.228 -6.709 -5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.969 -6.549 -6.402 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.086 -8.931 -4.442 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -4.280 -8.772 -5.349 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.339 -9.962 -4.369 1.00 0.00 H new ATOM 101 N LYS A 7 -0.009 -1.926 -5.853 1.00 0.00 N ATOM 102 CA LYS A 7 0.565 -0.731 -6.543 1.00 0.00 C ATOM 103 C LYS A 7 1.929 -0.390 -5.938 1.00 0.00 C ATOM 104 O LYS A 7 2.079 -0.320 -4.733 1.00 0.00 O ATOM 105 CB LYS A 7 -0.435 0.400 -6.289 1.00 0.00 C ATOM 106 CG LYS A 7 -0.210 1.526 -7.303 1.00 0.00 C ATOM 107 CD LYS A 7 -0.938 1.195 -8.609 1.00 0.00 C ATOM 108 CE LYS A 7 -2.440 1.447 -8.439 1.00 0.00 C ATOM 109 NZ LYS A 7 -3.102 0.185 -8.876 1.00 0.00 N ATOM 0 H LYS A 7 -0.181 -1.805 -4.855 1.00 0.00 H new ATOM 0 HA LYS A 7 0.717 -0.900 -7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.454 0.022 -6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.317 0.782 -5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.576 2.470 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.856 1.652 -7.491 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.546 1.808 -9.421 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.762 0.154 -8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.685 1.681 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.768 2.293 -9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.134 0.291 -8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.844 -0.019 -9.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.790 -0.599 -8.268 1.00 0.00 H new ATOM 123 N ALA A 8 2.923 -0.185 -6.767 1.00 0.00 N ATOM 124 CA ALA A 8 4.289 0.145 -6.248 1.00 0.00 C ATOM 125 C ALA A 8 4.235 1.368 -5.322 1.00 0.00 C ATOM 126 O ALA A 8 3.954 2.473 -5.751 1.00 0.00 O ATOM 127 CB ALA A 8 5.127 0.448 -7.493 1.00 0.00 C ATOM 0 H ALA A 8 2.848 -0.232 -7.783 1.00 0.00 H new ATOM 0 HA ALA A 8 4.710 -0.671 -5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.145 0.700 -7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.145 -0.428 -8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.689 1.289 -8.031 1.00 0.00 H new ATOM 133 N CYS A 9 4.504 1.172 -4.054 1.00 0.00 N ATOM 134 CA CYS A 9 4.475 2.311 -3.085 1.00 0.00 C ATOM 135 C CYS A 9 5.844 2.465 -2.411 1.00 0.00 C ATOM 136 O CYS A 9 6.599 1.517 -2.295 1.00 0.00 O ATOM 137 CB CYS A 9 3.401 1.942 -2.056 1.00 0.00 C ATOM 138 SG CYS A 9 3.902 0.460 -1.141 1.00 0.00 S ATOM 0 H CYS A 9 4.743 0.268 -3.647 1.00 0.00 H new ATOM 0 HA CYS A 9 4.253 3.260 -3.572 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.247 2.771 -1.365 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.450 1.765 -2.558 1.00 0.00 H new ATOM 143 N ASN A 10 6.169 3.654 -1.970 1.00 0.00 N ATOM 144 CA ASN A 10 7.490 3.871 -1.306 1.00 0.00 C ATOM 145 C ASN A 10 7.355 3.717 0.214 1.00 0.00 C ATOM 146 O ASN A 10 6.391 4.175 0.799 1.00 0.00 O ATOM 147 CB ASN A 10 7.894 5.303 -1.670 1.00 0.00 C ATOM 148 CG ASN A 10 9.369 5.331 -2.076 1.00 0.00 C ATOM 149 OD1 ASN A 10 10.205 5.814 -1.338 1.00 0.00 O ATOM 150 ND2 ASN A 10 9.728 4.828 -3.228 1.00 0.00 N ATOM 0 H ASN A 10 5.578 4.482 -2.041 1.00 0.00 H new ATOM 0 HA ASN A 10 8.236 3.145 -1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.274 5.670 -2.488 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.727 5.966 -0.821 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.709 4.841 -3.507 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.027 4.422 -3.848 1.00 0.00 H new ATOM 157 N PRO A 11 8.336 3.076 0.807 1.00 0.00 N ATOM 158 CA PRO A 11 8.331 2.860 2.279 1.00 0.00 C ATOM 159 C PRO A 11 8.576 4.182 3.023 1.00 0.00 C ATOM 160 O PRO A 11 8.072 4.387 4.111 1.00 0.00 O ATOM 161 CB PRO A 11 9.483 1.882 2.504 1.00 0.00 C ATOM 162 CG PRO A 11 10.395 2.086 1.338 1.00 0.00 C ATOM 163 CD PRO A 11 9.532 2.498 0.174 1.00 0.00 C ATOM 0 HA PRO A 11 7.379 2.481 2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.994 2.084 3.445 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.125 0.854 2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.138 2.853 1.558 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.940 1.170 1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.038 3.225 -0.461 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.278 1.646 -0.456 1.00 0.00 H new ATOM 171 N SER A 12 9.339 5.081 2.441 1.00 0.00 N ATOM 172 CA SER A 12 9.608 6.392 3.110 1.00 0.00 C ATOM 173 C SER A 12 8.315 7.212 3.190 1.00 0.00 C ATOM 174 O SER A 12 7.976 7.751 4.227 1.00 0.00 O ATOM 175 CB SER A 12 10.636 7.099 2.221 1.00 0.00 C ATOM 176 OG SER A 12 11.798 6.287 2.102 1.00 0.00 O ATOM 0 H SER A 12 9.786 4.961 1.532 1.00 0.00 H new ATOM 0 HA SER A 12 9.976 6.267 4.128 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.210 7.290 1.236 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.898 8.067 2.648 1.00 0.00 H new ATOM 0 HG SER A 12 12.455 6.738 1.532 1.00 0.00 H new ATOM 182 N ASN A 13 7.590 7.300 2.102 1.00 0.00 N ATOM 183 CA ASN A 13 6.313 8.072 2.103 1.00 0.00 C ATOM 184 C ASN A 13 5.181 7.203 1.539 1.00 0.00 C ATOM 185 O ASN A 13 4.744 7.385 0.417 1.00 0.00 O ATOM 186 CB ASN A 13 6.578 9.284 1.204 1.00 0.00 C ATOM 187 CG ASN A 13 5.552 10.379 1.507 1.00 0.00 C ATOM 188 OD1 ASN A 13 4.588 10.541 0.786 1.00 0.00 O ATOM 189 ND2 ASN A 13 5.720 11.142 2.553 1.00 0.00 N ATOM 0 H ASN A 13 7.831 6.868 1.210 1.00 0.00 H new ATOM 0 HA ASN A 13 6.008 8.379 3.104 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.587 9.660 1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.516 8.993 0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.042 11.874 2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.529 11.006 3.159 1.00 0.00 H new ATOM 196 N ASP A 14 4.711 6.255 2.313 1.00 0.00 N ATOM 197 CA ASP A 14 3.609 5.361 1.832 1.00 0.00 C ATOM 198 C ASP A 14 2.348 6.182 1.530 1.00 0.00 C ATOM 199 O ASP A 14 1.994 7.088 2.263 1.00 0.00 O ATOM 200 CB ASP A 14 3.357 4.364 2.975 1.00 0.00 C ATOM 201 CG ASP A 14 2.826 5.093 4.215 1.00 0.00 C ATOM 202 OD1 ASP A 14 3.633 5.649 4.943 1.00 0.00 O ATOM 203 OD2 ASP A 14 1.622 5.078 4.417 1.00 0.00 O ATOM 0 H ASP A 14 5.043 6.061 3.258 1.00 0.00 H new ATOM 0 HA ASP A 14 3.875 4.847 0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.640 3.608 2.655 1.00 0.00 H new ATOM 0 HB3 ASP A 14 4.282 3.842 3.221 1.00 0.00 H new ATOM 208 N GLN A 15 1.678 5.876 0.448 1.00 0.00 N ATOM 209 CA GLN A 15 0.445 6.638 0.083 1.00 0.00 C ATOM 210 C GLN A 15 -0.669 5.678 -0.360 1.00 0.00 C ATOM 211 O GLN A 15 -1.435 5.980 -1.255 1.00 0.00 O ATOM 212 CB GLN A 15 0.873 7.539 -1.080 1.00 0.00 C ATOM 213 CG GLN A 15 1.222 8.934 -0.554 1.00 0.00 C ATOM 214 CD GLN A 15 1.877 9.752 -1.670 1.00 0.00 C ATOM 215 OE1 GLN A 15 3.049 10.063 -1.603 1.00 0.00 O ATOM 216 NE2 GLN A 15 1.165 10.116 -2.704 1.00 0.00 N ATOM 0 H GLN A 15 1.932 5.130 -0.200 1.00 0.00 H new ATOM 0 HA GLN A 15 0.049 7.209 0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.734 7.106 -1.589 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.070 7.607 -1.814 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.322 9.437 -0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.898 8.855 0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.180 9.856 -2.762 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.594 10.660 -3.453 1.00 0.00 H new ATOM 225 N CYS A 16 -0.768 4.526 0.261 1.00 0.00 N ATOM 226 CA CYS A 16 -1.834 3.548 -0.129 1.00 0.00 C ATOM 227 C CYS A 16 -3.225 4.135 0.140 1.00 0.00 C ATOM 228 O CYS A 16 -3.401 4.960 1.018 1.00 0.00 O ATOM 229 CB CYS A 16 -1.594 2.314 0.745 1.00 0.00 C ATOM 230 SG CYS A 16 0.033 1.611 0.375 1.00 0.00 S ATOM 0 H CYS A 16 -0.158 4.221 1.020 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.793 3.306 -1.191 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.652 2.586 1.799 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.371 1.572 0.564 1.00 0.00 H new ATOM 235 N CYS A 17 -4.212 3.716 -0.615 1.00 0.00 N ATOM 236 CA CYS A 17 -5.598 4.247 -0.416 1.00 0.00 C ATOM 237 C CYS A 17 -6.128 3.851 0.967 1.00 0.00 C ATOM 238 O CYS A 17 -6.224 2.682 1.295 1.00 0.00 O ATOM 239 CB CYS A 17 -6.445 3.604 -1.519 1.00 0.00 C ATOM 240 SG CYS A 17 -5.781 4.051 -3.145 1.00 0.00 S ATOM 0 H CYS A 17 -4.117 3.028 -1.362 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.626 5.335 -0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.447 2.520 -1.403 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.480 3.936 -1.435 1.00 0.00 H new ATOM 245 N LYS A 18 -6.472 4.822 1.777 1.00 0.00 N ATOM 246 CA LYS A 18 -7.001 4.518 3.146 1.00 0.00 C ATOM 247 C LYS A 18 -8.447 3.999 3.071 1.00 0.00 C ATOM 248 O LYS A 18 -8.904 3.301 3.956 1.00 0.00 O ATOM 249 CB LYS A 18 -6.938 5.848 3.911 1.00 0.00 C ATOM 250 CG LYS A 18 -7.936 6.849 3.317 1.00 0.00 C ATOM 251 CD LYS A 18 -7.469 8.277 3.615 1.00 0.00 C ATOM 252 CE LYS A 18 -8.664 9.131 4.053 1.00 0.00 C ATOM 253 NZ LYS A 18 -8.994 9.980 2.872 1.00 0.00 N ATOM 0 H LYS A 18 -6.410 5.814 1.550 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.420 3.739 3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.163 5.681 4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.929 6.257 3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.019 6.700 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.927 6.684 3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.711 8.266 4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.005 8.711 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.511 8.506 4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.414 9.743 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.804 10.591 3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.173 10.570 2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.236 9.372 2.064 1.00 0.00 H new ATOM 267 N SER A 19 -9.167 4.332 2.022 1.00 0.00 N ATOM 268 CA SER A 19 -10.580 3.853 1.891 1.00 0.00 C ATOM 269 C SER A 19 -10.621 2.322 1.793 1.00 0.00 C ATOM 270 O SER A 19 -11.501 1.684 2.338 1.00 0.00 O ATOM 271 CB SER A 19 -11.103 4.487 0.600 1.00 0.00 C ATOM 272 OG SER A 19 -11.725 5.728 0.905 1.00 0.00 O ATOM 0 H SER A 19 -8.836 4.914 1.253 1.00 0.00 H new ATOM 0 HA SER A 19 -11.185 4.130 2.754 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.283 4.641 -0.101 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.816 3.819 0.116 1.00 0.00 H new ATOM 0 HG SER A 19 -12.060 6.138 0.080 1.00 0.00 H new ATOM 278 N SER A 20 -9.670 1.731 1.109 1.00 0.00 N ATOM 279 CA SER A 20 -9.646 0.240 0.980 1.00 0.00 C ATOM 280 C SER A 20 -8.772 -0.390 2.081 1.00 0.00 C ATOM 281 O SER A 20 -8.414 -1.551 2.000 1.00 0.00 O ATOM 282 CB SER A 20 -9.042 -0.027 -0.400 1.00 0.00 C ATOM 283 OG SER A 20 -9.988 0.321 -1.403 1.00 0.00 O ATOM 0 H SER A 20 -8.909 2.218 0.635 1.00 0.00 H new ATOM 0 HA SER A 20 -10.640 -0.194 1.086 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.129 0.554 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.767 -1.078 -0.492 1.00 0.00 H new ATOM 0 HG SER A 20 -9.603 0.153 -2.288 1.00 0.00 H new ATOM 289 N LYS A 21 -8.430 0.366 3.107 1.00 0.00 N ATOM 290 CA LYS A 21 -7.581 -0.177 4.219 1.00 0.00 C ATOM 291 C LYS A 21 -6.314 -0.839 3.656 1.00 0.00 C ATOM 292 O LYS A 21 -6.043 -2.000 3.905 1.00 0.00 O ATOM 293 CB LYS A 21 -8.465 -1.202 4.943 1.00 0.00 C ATOM 294 CG LYS A 21 -9.607 -0.481 5.669 1.00 0.00 C ATOM 295 CD LYS A 21 -9.091 0.105 6.986 1.00 0.00 C ATOM 296 CE LYS A 21 -10.194 0.942 7.642 1.00 0.00 C ATOM 297 NZ LYS A 21 -9.725 1.180 9.038 1.00 0.00 N ATOM 0 H LYS A 21 -8.706 1.341 3.219 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.243 0.608 4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.871 -1.916 4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.869 -1.770 5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.008 0.313 5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.423 -1.176 5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.782 -0.697 7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.212 0.723 6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.344 1.882 7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.148 0.415 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.431 1.748 9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.598 0.268 9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.819 1.690 9.018 1.00 0.00 H new ATOM 311 N LEU A 22 -5.541 -0.105 2.894 1.00 0.00 N ATOM 312 CA LEU A 22 -4.292 -0.680 2.304 1.00 0.00 C ATOM 313 C LEU A 22 -3.055 -0.051 2.954 1.00 0.00 C ATOM 314 O LEU A 22 -3.052 1.116 3.301 1.00 0.00 O ATOM 315 CB LEU A 22 -4.348 -0.320 0.815 1.00 0.00 C ATOM 316 CG LEU A 22 -5.550 -1.003 0.157 1.00 0.00 C ATOM 317 CD1 LEU A 22 -5.765 -0.415 -1.239 1.00 0.00 C ATOM 318 CD2 LEU A 22 -5.289 -2.507 0.040 1.00 0.00 C ATOM 0 H LEU A 22 -5.722 0.870 2.655 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.225 -1.756 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.423 0.761 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.427 -0.632 0.322 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.438 -0.837 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.620 -0.899 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.954 0.655 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.874 -0.582 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.147 -2.990 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.400 -2.676 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.134 -2.928 1.034 1.00 0.00 H new ATOM 330 N VAL A 23 -2.003 -0.816 3.114 1.00 0.00 N ATOM 331 CA VAL A 23 -0.755 -0.268 3.734 1.00 0.00 C ATOM 332 C VAL A 23 0.462 -0.627 2.872 1.00 0.00 C ATOM 333 O VAL A 23 0.568 -1.726 2.360 1.00 0.00 O ATOM 334 CB VAL A 23 -0.652 -0.921 5.122 1.00 0.00 C ATOM 335 CG1 VAL A 23 -1.754 -0.371 6.031 1.00 0.00 C ATOM 336 CG2 VAL A 23 -0.802 -2.444 5.007 1.00 0.00 C ATOM 0 H VAL A 23 -1.954 -1.798 2.842 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.784 0.819 3.812 1.00 0.00 H new ATOM 0 HB VAL A 23 0.325 -0.691 5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.680 -0.835 7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.640 0.708 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.729 -0.594 5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.727 -2.893 5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.773 -2.682 4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.012 -2.840 4.368 1.00 0.00 H new ATOM 346 N CYS A 24 1.380 0.296 2.705 1.00 0.00 N ATOM 347 CA CYS A 24 2.591 0.009 1.874 1.00 0.00 C ATOM 348 C CYS A 24 3.510 -0.970 2.611 1.00 0.00 C ATOM 349 O CYS A 24 4.198 -0.605 3.546 1.00 0.00 O ATOM 350 CB CYS A 24 3.280 1.364 1.683 1.00 0.00 C ATOM 351 SG CYS A 24 4.699 1.174 0.574 1.00 0.00 S ATOM 0 H CYS A 24 1.343 1.233 3.107 1.00 0.00 H new ATOM 0 HA CYS A 24 2.339 -0.449 0.918 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.576 2.086 1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.608 1.755 2.646 1.00 0.00 H new ATOM 356 N SER A 25 3.519 -2.212 2.197 1.00 0.00 N ATOM 357 CA SER A 25 4.388 -3.221 2.874 1.00 0.00 C ATOM 358 C SER A 25 5.746 -3.305 2.171 1.00 0.00 C ATOM 359 O SER A 25 5.823 -3.464 0.966 1.00 0.00 O ATOM 360 CB SER A 25 3.631 -4.546 2.758 1.00 0.00 C ATOM 361 OG SER A 25 2.857 -4.748 3.934 1.00 0.00 O ATOM 0 H SER A 25 2.963 -2.570 1.421 1.00 0.00 H new ATOM 0 HA SER A 25 4.588 -2.963 3.914 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.984 -4.533 1.881 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.333 -5.369 2.625 1.00 0.00 H new ATOM 0 HG SER A 25 2.369 -5.595 3.863 1.00 0.00 H new ATOM 367 N ARG A 26 6.816 -3.194 2.920 1.00 0.00 N ATOM 368 CA ARG A 26 8.182 -3.263 2.310 1.00 0.00 C ATOM 369 C ARG A 26 8.455 -4.669 1.755 1.00 0.00 C ATOM 370 O ARG A 26 9.084 -4.823 0.725 1.00 0.00 O ATOM 371 CB ARG A 26 9.145 -2.937 3.457 1.00 0.00 C ATOM 372 CG ARG A 26 10.565 -2.773 2.909 1.00 0.00 C ATOM 373 CD ARG A 26 11.572 -2.847 4.061 1.00 0.00 C ATOM 374 NE ARG A 26 11.689 -4.299 4.388 1.00 0.00 N ATOM 375 CZ ARG A 26 12.676 -4.723 5.131 1.00 0.00 C ATOM 376 NH1 ARG A 26 13.850 -4.939 4.596 1.00 0.00 N ATOM 377 NH2 ARG A 26 12.489 -4.932 6.408 1.00 0.00 N ATOM 0 H ARG A 26 6.803 -3.058 3.931 1.00 0.00 H new ATOM 0 HA ARG A 26 8.294 -2.572 1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.831 -2.022 3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.122 -3.733 4.201 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.776 -3.553 2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.658 -1.818 2.392 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.536 -2.431 3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.227 -2.276 4.923 1.00 0.00 H new ATOM 0 HE ARG A 26 10.998 -4.960 4.031 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.994 -4.776 3.599 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.621 -5.270 5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.573 -4.764 6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.259 -5.263 6.989 1.00 0.00 H new ATOM 391 N LYS A 27 7.985 -5.693 2.430 1.00 0.00 N ATOM 392 CA LYS A 27 8.212 -7.091 1.942 1.00 0.00 C ATOM 393 C LYS A 27 7.511 -7.314 0.593 1.00 0.00 C ATOM 394 O LYS A 27 8.063 -7.922 -0.304 1.00 0.00 O ATOM 395 CB LYS A 27 7.607 -7.998 3.020 1.00 0.00 C ATOM 396 CG LYS A 27 8.717 -8.507 3.944 1.00 0.00 C ATOM 397 CD LYS A 27 8.191 -8.600 5.378 1.00 0.00 C ATOM 398 CE LYS A 27 9.366 -8.803 6.340 1.00 0.00 C ATOM 399 NZ LYS A 27 8.777 -8.684 7.705 1.00 0.00 N ATOM 0 H LYS A 27 7.454 -5.620 3.298 1.00 0.00 H new ATOM 0 HA LYS A 27 9.270 -7.298 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.863 -7.448 3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.092 -8.839 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.063 -9.485 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.574 -7.835 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.648 -7.691 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.488 -9.428 5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.830 -9.779 6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.141 -8.054 6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.524 -8.812 8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.349 -7.743 7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.047 -9.414 7.833 1.00 0.00 H new ATOM 413 N THR A 28 6.303 -6.823 0.444 1.00 0.00 N ATOM 414 CA THR A 28 5.568 -7.005 -0.851 1.00 0.00 C ATOM 415 C THR A 28 5.981 -5.928 -1.869 1.00 0.00 C ATOM 416 O THR A 28 5.788 -6.092 -3.057 1.00 0.00 O ATOM 417 CB THR A 28 4.080 -6.869 -0.504 1.00 0.00 C ATOM 418 OG1 THR A 28 3.829 -5.572 0.021 1.00 0.00 O ATOM 419 CG2 THR A 28 3.685 -7.929 0.529 1.00 0.00 C ATOM 0 H THR A 28 5.795 -6.305 1.161 1.00 0.00 H new ATOM 0 HA THR A 28 5.792 -7.970 -1.305 1.00 0.00 H new ATOM 0 HB THR A 28 3.488 -7.015 -1.408 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.233 -5.084 -0.584 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.627 -7.826 0.770 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.869 -8.922 0.119 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.278 -7.794 1.434 1.00 0.00 H new ATOM 427 N ARG A 29 6.545 -4.831 -1.405 1.00 0.00 N ATOM 428 CA ARG A 29 6.982 -3.724 -2.322 1.00 0.00 C ATOM 429 C ARG A 29 5.775 -2.980 -2.930 1.00 0.00 C ATOM 430 O ARG A 29 5.923 -2.227 -3.874 1.00 0.00 O ATOM 431 CB ARG A 29 7.822 -4.393 -3.422 1.00 0.00 C ATOM 432 CG ARG A 29 9.126 -3.614 -3.623 1.00 0.00 C ATOM 433 CD ARG A 29 8.847 -2.331 -4.415 1.00 0.00 C ATOM 434 NE ARG A 29 10.188 -1.845 -4.852 1.00 0.00 N ATOM 435 CZ ARG A 29 10.967 -1.216 -4.010 1.00 0.00 C ATOM 436 NH1 ARG A 29 10.595 -0.066 -3.507 1.00 0.00 N ATOM 437 NH2 ARG A 29 12.119 -1.736 -3.673 1.00 0.00 N ATOM 0 H ARG A 29 6.723 -4.655 -0.416 1.00 0.00 H new ATOM 0 HA ARG A 29 7.555 -2.973 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.042 -5.425 -3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.259 -4.424 -4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.566 -3.367 -2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.851 -4.231 -4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.201 -2.528 -5.271 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.341 -1.589 -3.798 1.00 0.00 H new ATOM 0 HE ARG A 29 10.499 -2.004 -5.811 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.697 0.340 -3.772 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.203 0.424 -2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.409 -2.631 -4.067 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.727 -1.246 -3.017 1.00 0.00 H new ATOM 451 N TRP A 30 4.590 -3.163 -2.391 1.00 0.00 N ATOM 452 CA TRP A 30 3.399 -2.439 -2.941 1.00 0.00 C ATOM 453 C TRP A 30 2.302 -2.304 -1.875 1.00 0.00 C ATOM 454 O TRP A 30 2.409 -2.840 -0.787 1.00 0.00 O ATOM 455 CB TRP A 30 2.907 -3.266 -4.145 1.00 0.00 C ATOM 456 CG TRP A 30 2.552 -4.669 -3.743 1.00 0.00 C ATOM 457 CD1 TRP A 30 1.665 -5.012 -2.779 1.00 0.00 C ATOM 458 CD2 TRP A 30 3.050 -5.919 -4.301 1.00 0.00 C ATOM 459 NE1 TRP A 30 1.598 -6.391 -2.702 1.00 0.00 N ATOM 460 CE2 TRP A 30 2.433 -6.995 -3.621 1.00 0.00 C ATOM 461 CE3 TRP A 30 3.973 -6.220 -5.318 1.00 0.00 C ATOM 462 CZ2 TRP A 30 2.720 -8.322 -3.939 1.00 0.00 C ATOM 463 CZ3 TRP A 30 4.264 -7.554 -5.642 1.00 0.00 C ATOM 464 CH2 TRP A 30 3.640 -8.603 -4.953 1.00 0.00 C ATOM 0 H TRP A 30 4.398 -3.778 -1.600 1.00 0.00 H new ATOM 0 HA TRP A 30 3.659 -1.425 -3.246 1.00 0.00 H new ATOM 0 HB2 TRP A 30 2.036 -2.782 -4.588 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.682 -3.291 -4.911 1.00 0.00 H new ATOM 0 HD1 TRP A 30 1.102 -4.321 -2.170 1.00 0.00 H new ATOM 0 HE1 TRP A 30 1.005 -6.900 -2.047 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.461 -5.419 -5.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 2.235 -9.126 -3.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 4.973 -7.774 -6.427 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.870 -9.628 -5.205 1.00 0.00 H new ATOM 475 N CYS A 31 1.250 -1.587 -2.187 1.00 0.00 N ATOM 476 CA CYS A 31 0.137 -1.406 -1.204 1.00 0.00 C ATOM 477 C CYS A 31 -0.636 -2.717 -1.035 1.00 0.00 C ATOM 478 O CYS A 31 -1.105 -3.298 -1.996 1.00 0.00 O ATOM 479 CB CYS A 31 -0.766 -0.329 -1.809 1.00 0.00 C ATOM 480 SG CYS A 31 0.009 1.295 -1.620 1.00 0.00 S ATOM 0 H CYS A 31 1.114 -1.118 -3.083 1.00 0.00 H new ATOM 0 HA CYS A 31 0.504 -1.120 -0.218 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.941 -0.538 -2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.739 -0.338 -1.317 1.00 0.00 H new ATOM 485 N LYS A 32 -0.770 -3.184 0.178 1.00 0.00 N ATOM 486 CA LYS A 32 -1.511 -4.458 0.417 1.00 0.00 C ATOM 487 C LYS A 32 -2.481 -4.289 1.590 1.00 0.00 C ATOM 488 O LYS A 32 -2.164 -3.654 2.578 1.00 0.00 O ATOM 489 CB LYS A 32 -0.429 -5.486 0.756 1.00 0.00 C ATOM 490 CG LYS A 32 -0.967 -6.897 0.505 1.00 0.00 C ATOM 491 CD LYS A 32 -0.333 -7.874 1.498 1.00 0.00 C ATOM 492 CE LYS A 32 -1.198 -9.134 1.593 1.00 0.00 C ATOM 493 NZ LYS A 32 -0.274 -10.211 2.051 1.00 0.00 N ATOM 0 H LYS A 32 -0.397 -2.737 1.016 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.105 -4.762 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.458 -5.310 0.147 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.126 -5.381 1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.052 -6.908 0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.744 -7.205 -0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.675 -8.135 1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.243 -7.406 2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.020 -8.995 2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.642 -9.380 0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.799 -11.105 2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.494 -10.327 1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.128 -9.954 2.975 1.00 0.00 H new ATOM 507 N TYR A 33 -3.662 -4.851 1.484 1.00 0.00 N ATOM 508 CA TYR A 33 -4.663 -4.724 2.595 1.00 0.00 C ATOM 509 C TYR A 33 -4.048 -5.182 3.924 1.00 0.00 C ATOM 510 O TYR A 33 -3.279 -6.125 3.973 1.00 0.00 O ATOM 511 CB TYR A 33 -5.859 -5.615 2.204 1.00 0.00 C ATOM 512 CG TYR A 33 -5.403 -7.015 1.838 1.00 0.00 C ATOM 513 CD1 TYR A 33 -5.125 -7.952 2.842 1.00 0.00 C ATOM 514 CD2 TYR A 33 -5.267 -7.376 0.491 1.00 0.00 C ATOM 515 CE1 TYR A 33 -4.710 -9.245 2.499 1.00 0.00 C ATOM 516 CE2 TYR A 33 -4.852 -8.668 0.149 1.00 0.00 C ATOM 517 CZ TYR A 33 -4.573 -9.602 1.153 1.00 0.00 C ATOM 518 OH TYR A 33 -4.165 -10.877 0.814 1.00 0.00 O ATOM 0 H TYR A 33 -3.977 -5.391 0.678 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.977 -3.689 2.732 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.565 -5.665 3.033 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.387 -5.170 1.361 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.231 -7.677 3.881 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.483 -6.656 -0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.496 -9.967 3.273 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.747 -8.944 -0.890 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.123 -10.958 -0.162 1.00 0.00 H new ATOM 528 N GLN A 34 -4.375 -4.511 5.000 1.00 0.00 N ATOM 529 CA GLN A 34 -3.806 -4.896 6.327 1.00 0.00 C ATOM 530 C GLN A 34 -4.765 -5.837 7.067 1.00 0.00 C ATOM 531 O GLN A 34 -5.942 -5.558 7.200 1.00 0.00 O ATOM 532 CB GLN A 34 -3.643 -3.579 7.093 1.00 0.00 C ATOM 533 CG GLN A 34 -2.564 -3.741 8.169 1.00 0.00 C ATOM 534 CD GLN A 34 -3.214 -3.802 9.556 1.00 0.00 C ATOM 535 OE1 GLN A 34 -4.293 -4.340 9.715 1.00 0.00 O ATOM 536 NE2 GLN A 34 -2.597 -3.270 10.576 1.00 0.00 N ATOM 0 H GLN A 34 -5.011 -3.714 5.016 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.859 -5.426 6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.369 -2.778 6.406 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.589 -3.294 7.553 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.990 -4.650 7.987 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.864 -2.907 8.122 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.692 -2.818 10.446 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.020 -3.306 11.503 1.00 0.00 H new ATOM 545 N ILE A 35 -4.265 -6.947 7.553 1.00 0.00 N ATOM 546 CA ILE A 35 -5.142 -7.911 8.292 1.00 0.00 C ATOM 547 C ILE A 35 -5.072 -7.653 9.807 1.00 0.00 C ATOM 548 O ILE A 35 -4.028 -7.225 10.278 1.00 0.00 O ATOM 549 CB ILE A 35 -4.606 -9.309 7.940 1.00 0.00 C ATOM 550 CG1 ILE A 35 -5.560 -10.373 8.494 1.00 0.00 C ATOM 551 CG2 ILE A 35 -3.210 -9.515 8.543 1.00 0.00 C ATOM 552 CD1 ILE A 35 -5.324 -11.703 7.775 1.00 0.00 C ATOM 553 OXT ILE A 35 -6.069 -7.886 10.470 1.00 0.00 O ATOM 0 H ILE A 35 -3.288 -7.228 7.470 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.190 -7.806 8.011 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.538 -9.398 6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.401 -10.495 9.565 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.594 -10.054 8.359 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.845 -10.509 8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.528 -8.763 8.146 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.264 -9.419 9.627 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.004 -12.457 8.172 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.505 -11.577 6.708 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.294 -12.024 7.933 1.00 0.00 H new TER 565 ILE A 35