USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 279 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 32 LYS NZ :NH3+ -171:sc= 0.0381 (180deg=0.0184) USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.9!) USER MOD Set 2.2: A 15 GLN : amide:sc= 0 X(o=-0.11,f=0.025) USER MOD Set 3.1: A 10 ASN : amide:sc= -0.636 K(o=-0.59,f=-3.8!) USER MOD Set 3.2: A 12 SER OG : rot 180:sc= 0.0439 USER MOD Single : A 1 GLU N :NH3+ -163:sc= 0 (180deg=-0.125) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -96:sc= -1.45 USER MOD Single : A 20 SER OG : rot 28:sc= 0.717 USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= -0.0316 (180deg=-0.266) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc=-0.00925 (180deg=-0.166) USER MOD Single : A 28 THR OG1 : rot 154:sc= 1.83 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.486 0.464 0.607 1.00 0.00 N ATOM 2 CA GLU A 1 1.826 -0.481 -0.287 1.00 0.00 C ATOM 3 C GLU A 1 2.522 -1.839 -0.253 1.00 0.00 C ATOM 4 O GLU A 1 1.876 -2.878 -0.113 1.00 0.00 O ATOM 5 CB GLU A 1 1.811 0.061 -1.717 1.00 0.00 C ATOM 6 CG GLU A 1 0.830 1.202 -1.926 1.00 0.00 C ATOM 7 CD GLU A 1 -0.564 0.717 -2.271 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.117 -0.098 -1.504 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.103 1.153 -3.310 1.00 0.00 O ATOM 0 H1 GLU A 1 1.852 1.267 0.792 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.716 -0.009 1.504 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.361 0.809 0.163 1.00 0.00 H new ATOM 0 HA GLU A 1 0.799 -0.610 0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.813 0.402 -1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.563 -0.750 -2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.786 1.809 -1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.194 1.847 -2.725 1.00 0.00 H new ATOM 16 N CYS A 2 3.845 -1.823 -0.381 1.00 0.00 N ATOM 17 CA CYS A 2 4.630 -3.051 -0.367 1.00 0.00 C ATOM 18 C CYS A 2 4.289 -3.900 0.854 1.00 0.00 C ATOM 19 O CYS A 2 3.934 -3.374 1.910 1.00 0.00 O ATOM 20 CB CYS A 2 6.125 -2.725 -0.374 1.00 0.00 C ATOM 21 SG CYS A 2 6.621 -1.482 0.862 1.00 0.00 S ATOM 0 H CYS A 2 4.396 -0.972 -0.496 1.00 0.00 H new ATOM 0 HA CYS A 2 4.385 -3.620 -1.264 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.687 -3.642 -0.197 1.00 0.00 H new ATOM 0 HB3 CYS A 2 6.403 -2.367 -1.365 1.00 0.00 H new ATOM 26 N LEU A 3 4.400 -5.215 0.703 1.00 0.00 N ATOM 27 CA LEU A 3 4.104 -6.138 1.793 1.00 0.00 C ATOM 28 C LEU A 3 5.032 -5.894 2.980 1.00 0.00 C ATOM 29 O LEU A 3 6.136 -6.434 3.037 1.00 0.00 O ATOM 30 CB LEU A 3 4.240 -7.584 1.314 1.00 0.00 C ATOM 31 CG LEU A 3 5.486 -7.903 0.486 1.00 0.00 C ATOM 32 CD1 LEU A 3 6.483 -8.704 1.309 1.00 0.00 C ATOM 33 CD2 LEU A 3 5.106 -8.659 -0.779 1.00 0.00 C ATOM 0 H LEU A 3 4.693 -5.666 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 3 3.078 -5.964 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.231 -8.237 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.360 -7.833 0.721 1.00 0.00 H new ATOM 0 HG LEU A 3 5.957 -6.964 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.363 -8.922 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.779 -8.127 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.023 -9.639 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.005 -8.878 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.611 -9.592 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.430 -8.049 -1.378 1.00 0.00 H new ATOM 45 N GLU A 4 4.573 -5.081 3.925 1.00 0.00 N ATOM 46 CA GLU A 4 5.361 -4.768 5.111 1.00 0.00 C ATOM 47 C GLU A 4 5.062 -5.751 6.239 1.00 0.00 C ATOM 48 O GLU A 4 5.552 -6.880 6.238 1.00 0.00 O ATOM 49 CB GLU A 4 5.077 -3.338 5.577 1.00 0.00 C ATOM 50 CG GLU A 4 5.674 -2.273 4.673 1.00 0.00 C ATOM 51 CD GLU A 4 5.768 -0.919 5.349 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.299 -0.856 6.478 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.309 0.077 4.751 1.00 0.00 O ATOM 0 H GLU A 4 3.660 -4.627 3.893 1.00 0.00 H new ATOM 0 HA GLU A 4 6.415 -4.854 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.998 -3.191 5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.470 -3.209 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.669 -2.587 4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.066 -2.184 3.773 1.00 0.00 H new ATOM 60 N ILE A 5 4.255 -5.313 7.199 1.00 0.00 N ATOM 61 CA ILE A 5 3.890 -6.154 8.333 1.00 0.00 C ATOM 62 C ILE A 5 2.624 -6.952 8.039 1.00 0.00 C ATOM 63 O ILE A 5 1.689 -6.448 7.416 1.00 0.00 O ATOM 64 CB ILE A 5 3.672 -5.317 9.607 1.00 0.00 C ATOM 65 CG1 ILE A 5 3.557 -6.231 10.829 1.00 0.00 C ATOM 66 CG2 ILE A 5 2.428 -4.453 9.467 1.00 0.00 C ATOM 67 CD1 ILE A 5 4.835 -6.326 11.634 1.00 0.00 C ATOM 0 H ILE A 5 3.841 -4.381 7.215 1.00 0.00 H new ATOM 0 HA ILE A 5 4.720 -6.841 8.498 1.00 0.00 H new ATOM 0 HB ILE A 5 4.532 -4.662 9.745 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.758 -5.864 11.473 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.269 -7.230 10.500 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.288 -3.867 10.376 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.545 -3.781 8.617 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.558 -5.090 9.308 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.681 -6.990 12.485 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.633 -6.721 11.005 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.113 -5.335 11.993 1.00 0.00 H new ATOM 79 N PHE A 6 2.599 -8.200 8.494 1.00 0.00 N ATOM 80 CA PHE A 6 1.447 -9.069 8.282 1.00 0.00 C ATOM 81 C PHE A 6 1.088 -9.143 6.801 1.00 0.00 C ATOM 82 O PHE A 6 -0.027 -9.517 6.438 1.00 0.00 O ATOM 83 CB PHE A 6 0.247 -8.565 9.085 1.00 0.00 C ATOM 84 CG PHE A 6 0.523 -8.426 10.555 1.00 0.00 C ATOM 85 CD1 PHE A 6 0.830 -9.538 11.323 1.00 0.00 C ATOM 86 CD2 PHE A 6 0.477 -7.185 11.168 1.00 0.00 C ATOM 87 CE1 PHE A 6 1.086 -9.414 12.676 1.00 0.00 C ATOM 88 CE2 PHE A 6 0.732 -7.054 12.520 1.00 0.00 C ATOM 89 CZ PHE A 6 1.036 -8.171 13.275 1.00 0.00 C ATOM 0 H PHE A 6 3.364 -8.633 9.012 1.00 0.00 H new ATOM 0 HA PHE A 6 1.710 -10.070 8.625 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.064 -7.598 8.689 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.588 -9.251 8.944 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.870 -10.513 10.859 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.239 -6.309 10.583 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.325 -10.288 13.264 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.694 -6.080 12.986 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.234 -8.072 14.332 1.00 0.00 H new ATOM 99 N LYS A 7 2.042 -8.784 5.948 1.00 0.00 N ATOM 100 CA LYS A 7 1.829 -8.810 4.506 1.00 0.00 C ATOM 101 C LYS A 7 2.462 -10.051 3.885 1.00 0.00 C ATOM 102 O LYS A 7 3.629 -10.354 4.133 1.00 0.00 O ATOM 103 CB LYS A 7 2.411 -7.550 3.861 1.00 0.00 C ATOM 104 CG LYS A 7 1.859 -6.259 4.441 1.00 0.00 C ATOM 105 CD LYS A 7 0.392 -6.397 4.810 1.00 0.00 C ATOM 106 CE LYS A 7 -0.231 -5.047 5.132 1.00 0.00 C ATOM 107 NZ LYS A 7 -1.715 -5.129 5.229 1.00 0.00 N ATOM 0 H LYS A 7 2.971 -8.471 6.231 1.00 0.00 H new ATOM 0 HA LYS A 7 0.755 -8.841 4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.494 -7.558 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.208 -7.573 2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.433 -5.981 5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.979 -5.453 3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.149 -6.862 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.293 -7.059 5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.174 -4.675 6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.043 -4.327 4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.101 -4.189 5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.104 -5.459 4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.977 -5.796 5.982 1.00 0.00 H new ATOM 121 N ALA A 8 1.685 -10.763 3.075 1.00 0.00 N ATOM 122 CA ALA A 8 2.172 -11.969 2.416 1.00 0.00 C ATOM 123 C ALA A 8 3.310 -11.647 1.454 1.00 0.00 C ATOM 124 O ALA A 8 3.267 -10.647 0.736 1.00 0.00 O ATOM 125 CB ALA A 8 1.035 -12.662 1.679 1.00 0.00 C ATOM 0 H ALA A 8 0.717 -10.526 2.860 1.00 0.00 H new ATOM 0 HA ALA A 8 2.558 -12.642 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.412 -13.561 1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.254 -12.935 2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.623 -11.987 0.928 1.00 0.00 H new ATOM 131 N CYS A 9 4.329 -12.500 1.444 1.00 0.00 N ATOM 132 CA CYS A 9 5.481 -12.306 0.571 1.00 0.00 C ATOM 133 C CYS A 9 5.490 -13.337 -0.554 1.00 0.00 C ATOM 134 O CYS A 9 5.423 -14.541 -0.307 1.00 0.00 O ATOM 135 CB CYS A 9 6.779 -12.402 1.376 1.00 0.00 C ATOM 136 SG CYS A 9 6.944 -13.937 2.341 1.00 0.00 S ATOM 0 H CYS A 9 4.380 -13.333 2.031 1.00 0.00 H new ATOM 0 HA CYS A 9 5.408 -11.312 0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.624 -12.323 0.693 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.837 -11.551 2.055 1.00 0.00 H new ATOM 141 N ASN A 10 5.574 -12.855 -1.790 1.00 0.00 N ATOM 142 CA ASN A 10 5.591 -13.735 -2.953 1.00 0.00 C ATOM 143 C ASN A 10 6.902 -14.512 -3.028 1.00 0.00 C ATOM 144 O ASN A 10 7.953 -14.049 -2.584 1.00 0.00 O ATOM 145 CB ASN A 10 5.394 -12.923 -4.235 1.00 0.00 C ATOM 146 CG ASN A 10 6.497 -11.904 -4.450 1.00 0.00 C ATOM 147 OD1 ASN A 10 7.348 -11.702 -3.584 1.00 0.00 O ATOM 148 ND2 ASN A 10 6.487 -11.258 -5.610 1.00 0.00 N ATOM 0 H ASN A 10 5.631 -11.861 -2.012 1.00 0.00 H new ATOM 0 HA ASN A 10 4.772 -14.447 -2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.357 -13.600 -5.088 1.00 0.00 H new ATOM 0 HB3 ASN A 10 4.433 -12.411 -4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.205 -10.562 -5.812 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.762 -11.458 -6.299 1.00 0.00 H new ATOM 155 N PRO A 11 6.840 -15.723 -3.602 1.00 0.00 N ATOM 156 CA PRO A 11 8.012 -16.590 -3.749 1.00 0.00 C ATOM 157 C PRO A 11 9.009 -16.049 -4.769 1.00 0.00 C ATOM 158 O PRO A 11 10.155 -16.494 -4.827 1.00 0.00 O ATOM 159 CB PRO A 11 7.416 -17.914 -4.235 1.00 0.00 C ATOM 160 CG PRO A 11 6.140 -17.532 -4.904 1.00 0.00 C ATOM 161 CD PRO A 11 5.620 -16.338 -4.152 1.00 0.00 C ATOM 0 HA PRO A 11 8.574 -16.676 -2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.089 -18.421 -4.926 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.238 -18.597 -3.404 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.307 -17.290 -5.954 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.424 -18.353 -4.876 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.085 -15.652 -4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.927 -16.631 -3.363 1.00 0.00 H new ATOM 169 N SER A 12 8.564 -15.087 -5.571 1.00 0.00 N ATOM 170 CA SER A 12 9.417 -14.488 -6.591 1.00 0.00 C ATOM 171 C SER A 12 10.532 -13.666 -5.953 1.00 0.00 C ATOM 172 O SER A 12 11.713 -13.897 -6.209 1.00 0.00 O ATOM 173 CB SER A 12 8.587 -13.605 -7.525 1.00 0.00 C ATOM 174 OG SER A 12 7.229 -13.571 -7.122 1.00 0.00 O ATOM 0 H SER A 12 7.619 -14.706 -5.534 1.00 0.00 H new ATOM 0 HA SER A 12 9.869 -15.293 -7.170 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.993 -12.594 -7.531 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.657 -13.982 -8.545 1.00 0.00 H new ATOM 0 HG SER A 12 6.720 -12.999 -7.734 1.00 0.00 H new ATOM 180 N ASN A 13 10.147 -12.705 -5.119 1.00 0.00 N ATOM 181 CA ASN A 13 11.114 -11.847 -4.443 1.00 0.00 C ATOM 182 C ASN A 13 11.298 -12.274 -2.990 1.00 0.00 C ATOM 183 O ASN A 13 12.423 -12.409 -2.510 1.00 0.00 O ATOM 184 CB ASN A 13 10.660 -10.387 -4.504 1.00 0.00 C ATOM 185 CG ASN A 13 11.822 -9.416 -4.415 1.00 0.00 C ATOM 186 OD1 ASN A 13 12.984 -9.810 -4.527 1.00 0.00 O ATOM 187 ND2 ASN A 13 11.514 -8.141 -4.212 1.00 0.00 N ATOM 0 H ASN A 13 9.173 -12.501 -4.895 1.00 0.00 H new ATOM 0 HA ASN A 13 12.071 -11.945 -4.955 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.118 -10.216 -5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 13 9.963 -10.192 -3.689 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.254 -7.442 -4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.537 -7.860 -4.125 1.00 0.00 H new ATOM 194 N ASP A 14 10.185 -12.486 -2.296 1.00 0.00 N ATOM 195 CA ASP A 14 10.223 -12.899 -0.898 1.00 0.00 C ATOM 196 C ASP A 14 10.881 -11.830 -0.033 1.00 0.00 C ATOM 197 O ASP A 14 10.707 -11.810 1.185 1.00 0.00 O ATOM 198 CB ASP A 14 10.977 -14.223 -0.756 1.00 0.00 C ATOM 199 CG ASP A 14 10.046 -15.395 -0.513 1.00 0.00 C ATOM 200 OD1 ASP A 14 9.034 -15.212 0.194 1.00 0.00 O ATOM 201 OD2 ASP A 14 10.332 -16.496 -1.029 1.00 0.00 O ATOM 0 H ASP A 14 9.246 -12.379 -2.679 1.00 0.00 H new ATOM 0 HA ASP A 14 9.197 -13.035 -0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.558 -14.406 -1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.685 -14.148 0.069 1.00 0.00 H new ATOM 206 N GLN A 15 11.638 -10.943 -0.670 1.00 0.00 N ATOM 207 CA GLN A 15 12.324 -9.871 0.042 1.00 0.00 C ATOM 208 C GLN A 15 11.329 -8.837 0.558 1.00 0.00 C ATOM 209 O GLN A 15 10.814 -8.021 -0.207 1.00 0.00 O ATOM 210 CB GLN A 15 13.351 -9.198 -0.870 1.00 0.00 C ATOM 211 CG GLN A 15 14.518 -10.099 -1.240 1.00 0.00 C ATOM 212 CD GLN A 15 15.592 -9.370 -2.024 1.00 0.00 C ATOM 213 OE1 GLN A 15 15.299 -8.650 -2.979 1.00 0.00 O ATOM 214 NE2 GLN A 15 16.845 -9.553 -1.623 1.00 0.00 N ATOM 0 H GLN A 15 11.792 -10.945 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 15 12.841 -10.309 0.896 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.854 -8.868 -1.782 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.734 -8.305 -0.375 1.00 0.00 H new ATOM 0 HG2 GLN A 15 14.955 -10.513 -0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.151 -10.939 -1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 15 17.042 -10.159 -0.826 1.00 0.00 H new ATOM 0 HE22 GLN A 15 17.610 -9.088 -2.112 1.00 0.00 H new ATOM 223 N CYS A 16 11.063 -8.876 1.859 1.00 0.00 N ATOM 224 CA CYS A 16 10.129 -7.943 2.478 1.00 0.00 C ATOM 225 C CYS A 16 10.594 -6.502 2.286 1.00 0.00 C ATOM 226 O CYS A 16 11.792 -6.228 2.217 1.00 0.00 O ATOM 227 CB CYS A 16 9.983 -8.249 3.970 1.00 0.00 C ATOM 228 SG CYS A 16 8.306 -7.969 4.625 1.00 0.00 S ATOM 0 H CYS A 16 11.482 -9.544 2.506 1.00 0.00 H new ATOM 0 HA CYS A 16 9.160 -8.062 1.994 1.00 0.00 H new ATOM 0 HB2 CYS A 16 10.262 -9.288 4.146 1.00 0.00 H new ATOM 0 HB3 CYS A 16 10.687 -7.631 4.527 1.00 0.00 H new ATOM 233 N CYS A 17 9.636 -5.584 2.202 1.00 0.00 N ATOM 234 CA CYS A 17 9.945 -4.171 2.019 1.00 0.00 C ATOM 235 C CYS A 17 10.985 -3.705 3.033 1.00 0.00 C ATOM 236 O CYS A 17 11.030 -4.194 4.163 1.00 0.00 O ATOM 237 CB CYS A 17 8.675 -3.329 2.152 1.00 0.00 C ATOM 238 SG CYS A 17 8.675 -1.817 1.135 1.00 0.00 S ATOM 0 H CYS A 17 8.639 -5.794 2.258 1.00 0.00 H new ATOM 0 HA CYS A 17 10.356 -4.042 1.018 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.816 -3.940 1.875 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.544 -3.051 3.198 1.00 0.00 H new ATOM 243 N LYS A 18 11.821 -2.757 2.623 1.00 0.00 N ATOM 244 CA LYS A 18 12.861 -2.223 3.495 1.00 0.00 C ATOM 245 C LYS A 18 12.289 -1.175 4.444 1.00 0.00 C ATOM 246 O LYS A 18 13.006 -0.623 5.278 1.00 0.00 O ATOM 247 CB LYS A 18 13.988 -1.610 2.661 1.00 0.00 C ATOM 248 CG LYS A 18 14.761 -2.629 1.840 1.00 0.00 C ATOM 249 CD LYS A 18 15.782 -3.369 2.688 1.00 0.00 C ATOM 250 CE LYS A 18 16.647 -4.289 1.841 1.00 0.00 C ATOM 251 NZ LYS A 18 17.889 -4.695 2.555 1.00 0.00 N ATOM 0 H LYS A 18 11.799 -2.342 1.691 1.00 0.00 H new ATOM 0 HA LYS A 18 13.262 -3.045 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.567 -0.861 1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.679 -1.091 3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.067 -3.344 1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.267 -2.126 1.016 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.415 -2.650 3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.268 -3.952 3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.076 -5.178 1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.911 -3.785 0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.451 -5.322 1.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.446 -3.849 2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.638 -5.198 3.430 1.00 0.00 H new ATOM 265 N SER A 19 10.994 -0.908 4.313 1.00 0.00 N ATOM 266 CA SER A 19 10.327 0.076 5.158 1.00 0.00 C ATOM 267 C SER A 19 10.420 -0.320 6.629 1.00 0.00 C ATOM 268 O SER A 19 10.353 0.530 7.517 1.00 0.00 O ATOM 269 CB SER A 19 8.859 0.219 4.749 1.00 0.00 C ATOM 270 OG SER A 19 8.343 -1.008 4.264 1.00 0.00 O ATOM 0 H SER A 19 10.385 -1.359 3.630 1.00 0.00 H new ATOM 0 HA SER A 19 10.829 1.034 5.024 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.271 0.552 5.604 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.766 0.986 3.980 1.00 0.00 H new ATOM 0 HG SER A 19 8.401 -1.024 3.286 1.00 0.00 H new ATOM 276 N SER A 20 10.576 -1.616 6.878 1.00 0.00 N ATOM 277 CA SER A 20 10.675 -2.126 8.241 1.00 0.00 C ATOM 278 C SER A 20 11.359 -3.490 8.262 1.00 0.00 C ATOM 279 O SER A 20 11.263 -4.260 7.307 1.00 0.00 O ATOM 280 CB SER A 20 9.285 -2.230 8.871 1.00 0.00 C ATOM 281 OG SER A 20 8.881 -0.988 9.422 1.00 0.00 O ATOM 0 H SER A 20 10.637 -2.332 6.154 1.00 0.00 H new ATOM 0 HA SER A 20 11.278 -1.428 8.821 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.564 -2.549 8.118 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.291 -2.992 9.650 1.00 0.00 H new ATOM 0 HG SER A 20 9.309 -0.257 8.929 1.00 0.00 H new ATOM 287 N LYS A 21 12.049 -3.781 9.359 1.00 0.00 N ATOM 288 CA LYS A 21 12.749 -5.051 9.508 1.00 0.00 C ATOM 289 C LYS A 21 11.764 -6.191 9.743 1.00 0.00 C ATOM 290 O LYS A 21 11.271 -6.380 10.856 1.00 0.00 O ATOM 291 CB LYS A 21 13.744 -4.976 10.668 1.00 0.00 C ATOM 292 CG LYS A 21 15.093 -4.398 10.277 1.00 0.00 C ATOM 293 CD LYS A 21 15.891 -5.371 9.425 1.00 0.00 C ATOM 294 CE LYS A 21 17.385 -5.103 9.525 1.00 0.00 C ATOM 295 NZ LYS A 21 17.927 -5.474 10.861 1.00 0.00 N ATOM 0 H LYS A 21 12.139 -3.154 10.159 1.00 0.00 H new ATOM 0 HA LYS A 21 13.292 -5.248 8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.315 -4.368 11.465 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.891 -5.977 11.075 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.946 -3.468 9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.658 -4.151 11.176 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.681 -6.392 9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.574 -5.290 8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.908 -5.666 8.752 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.578 -4.047 9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.957 -5.603 10.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.716 -4.718 11.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.487 -6.361 11.180 1.00 0.00 H new ATOM 309 N LEU A 22 11.482 -6.950 8.690 1.00 0.00 N ATOM 310 CA LEU A 22 10.556 -8.073 8.782 1.00 0.00 C ATOM 311 C LEU A 22 11.070 -9.270 7.988 1.00 0.00 C ATOM 312 O LEU A 22 11.768 -9.110 6.986 1.00 0.00 O ATOM 313 CB LEU A 22 9.173 -7.664 8.270 1.00 0.00 C ATOM 314 CG LEU A 22 8.561 -6.419 8.913 1.00 0.00 C ATOM 315 CD1 LEU A 22 7.658 -5.697 7.925 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.789 -6.793 10.170 1.00 0.00 C ATOM 0 H LEU A 22 11.881 -6.808 7.762 1.00 0.00 H new ATOM 0 HA LEU A 22 10.478 -8.361 9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.240 -7.498 7.195 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.490 -8.500 8.421 1.00 0.00 H new ATOM 0 HG LEU A 22 9.369 -5.744 9.195 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.231 -4.814 8.400 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.240 -5.395 7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.855 -6.364 7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.360 -5.895 10.614 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.989 -7.488 9.913 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.464 -7.265 10.884 1.00 0.00 H new ATOM 328 N VAL A 23 10.720 -10.469 8.442 1.00 0.00 N ATOM 329 CA VAL A 23 11.144 -11.693 7.772 1.00 0.00 C ATOM 330 C VAL A 23 9.971 -12.649 7.581 1.00 0.00 C ATOM 331 O VAL A 23 9.044 -12.682 8.391 1.00 0.00 O ATOM 332 CB VAL A 23 12.253 -12.411 8.564 1.00 0.00 C ATOM 333 CG1 VAL A 23 13.565 -11.649 8.456 1.00 0.00 C ATOM 334 CG2 VAL A 23 11.843 -12.580 10.020 1.00 0.00 C ATOM 0 H VAL A 23 10.144 -10.619 9.270 1.00 0.00 H new ATOM 0 HA VAL A 23 11.535 -11.402 6.797 1.00 0.00 H new ATOM 0 HB VAL A 23 12.400 -13.402 8.134 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.337 -12.171 9.022 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.863 -11.585 7.410 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.437 -10.644 8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.638 -13.089 10.565 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.668 -11.600 10.465 1.00 0.00 H new ATOM 0 HG23 VAL A 23 10.929 -13.172 10.074 1.00 0.00 H new ATOM 344 N CYS A 24 10.019 -13.427 6.505 1.00 0.00 N ATOM 345 CA CYS A 24 8.961 -14.384 6.205 1.00 0.00 C ATOM 346 C CYS A 24 9.534 -15.644 5.562 1.00 0.00 C ATOM 347 O CYS A 24 8.824 -16.382 4.879 1.00 0.00 O ATOM 348 CB CYS A 24 7.920 -13.753 5.278 1.00 0.00 C ATOM 349 SG CYS A 24 8.503 -13.497 3.571 1.00 0.00 S ATOM 0 H CYS A 24 10.780 -13.413 5.826 1.00 0.00 H new ATOM 0 HA CYS A 24 8.480 -14.662 7.143 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.035 -14.389 5.257 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.613 -12.793 5.694 1.00 0.00 H new ATOM 354 N SER A 25 10.822 -15.883 5.786 1.00 0.00 N ATOM 355 CA SER A 25 11.491 -17.051 5.226 1.00 0.00 C ATOM 356 C SER A 25 10.871 -18.340 5.758 1.00 0.00 C ATOM 357 O SER A 25 10.127 -19.020 5.052 1.00 0.00 O ATOM 358 CB SER A 25 12.985 -17.016 5.557 1.00 0.00 C ATOM 359 OG SER A 25 13.668 -16.087 4.733 1.00 0.00 O ATOM 0 H SER A 25 11.423 -15.283 6.351 1.00 0.00 H new ATOM 0 HA SER A 25 11.364 -17.027 4.144 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.122 -16.748 6.604 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.414 -18.009 5.424 1.00 0.00 H new ATOM 0 HG SER A 25 14.620 -16.082 4.965 1.00 0.00 H new ATOM 365 N ARG A 26 11.184 -18.668 7.007 1.00 0.00 N ATOM 366 CA ARG A 26 10.660 -19.875 7.634 1.00 0.00 C ATOM 367 C ARG A 26 9.430 -19.558 8.480 1.00 0.00 C ATOM 368 O ARG A 26 8.632 -20.442 8.791 1.00 0.00 O ATOM 369 CB ARG A 26 11.734 -20.532 8.503 1.00 0.00 C ATOM 370 CG ARG A 26 13.029 -20.817 7.759 1.00 0.00 C ATOM 371 CD ARG A 26 12.952 -22.125 6.987 1.00 0.00 C ATOM 372 NE ARG A 26 13.356 -23.266 7.804 1.00 0.00 N ATOM 373 CZ ARG A 26 14.622 -23.566 8.074 1.00 0.00 C ATOM 374 NH1 ARG A 26 15.601 -22.811 7.595 1.00 0.00 N ATOM 375 NH2 ARG A 26 14.910 -24.621 8.824 1.00 0.00 N ATOM 0 H ARG A 26 11.798 -18.115 7.605 1.00 0.00 H new ATOM 0 HA ARG A 26 10.368 -20.567 6.844 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.948 -19.884 9.353 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.343 -21.466 8.905 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.242 -19.999 7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.855 -20.860 8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.933 -22.277 6.631 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.592 -22.065 6.107 1.00 0.00 H new ATOM 0 HE ARG A 26 12.626 -23.866 8.189 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.383 -21.998 7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.572 -23.043 7.803 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.159 -25.204 9.195 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.882 -24.850 9.030 1.00 0.00 H new ATOM 389 N LYS A 27 9.283 -18.290 8.849 1.00 0.00 N ATOM 390 CA LYS A 27 8.151 -17.854 9.658 1.00 0.00 C ATOM 391 C LYS A 27 6.843 -18.002 8.888 1.00 0.00 C ATOM 392 O LYS A 27 6.790 -18.671 7.855 1.00 0.00 O ATOM 393 CB LYS A 27 8.338 -16.398 10.092 1.00 0.00 C ATOM 394 CG LYS A 27 7.961 -16.142 11.540 1.00 0.00 C ATOM 395 CD LYS A 27 9.171 -16.223 12.455 1.00 0.00 C ATOM 396 CE LYS A 27 10.078 -15.013 12.287 1.00 0.00 C ATOM 397 NZ LYS A 27 9.458 -13.775 12.834 1.00 0.00 N ATOM 0 H LYS A 27 9.934 -17.546 8.600 1.00 0.00 H new ATOM 0 HA LYS A 27 8.104 -18.487 10.544 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.379 -16.113 9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.736 -15.756 9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.502 -15.157 11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.215 -16.871 11.857 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.841 -16.291 13.492 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.732 -17.132 12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.027 -15.197 12.791 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.301 -14.871 11.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.185 -13.038 12.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.716 -13.443 12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.039 -13.978 13.764 1.00 0.00 H new ATOM 411 N THR A 28 5.788 -17.373 9.396 1.00 0.00 N ATOM 412 CA THR A 28 4.480 -17.434 8.756 1.00 0.00 C ATOM 413 C THR A 28 4.535 -16.875 7.338 1.00 0.00 C ATOM 414 O THR A 28 5.497 -16.206 6.962 1.00 0.00 O ATOM 415 CB THR A 28 3.423 -16.656 9.562 1.00 0.00 C ATOM 416 OG1 THR A 28 4.007 -15.476 10.125 1.00 0.00 O ATOM 417 CG2 THR A 28 2.843 -17.521 10.671 1.00 0.00 C ATOM 0 H THR A 28 5.814 -16.815 10.249 1.00 0.00 H new ATOM 0 HA THR A 28 4.195 -18.486 8.718 1.00 0.00 H new ATOM 0 HB THR A 28 2.617 -16.374 8.885 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.311 -14.800 10.262 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.099 -16.950 11.226 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.373 -18.403 10.236 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.641 -17.830 11.346 1.00 0.00 H new ATOM 425 N ARG A 29 3.497 -17.154 6.557 1.00 0.00 N ATOM 426 CA ARG A 29 3.427 -16.679 5.180 1.00 0.00 C ATOM 427 C ARG A 29 3.477 -15.155 5.128 1.00 0.00 C ATOM 428 O ARG A 29 3.793 -14.570 4.092 1.00 0.00 O ATOM 429 CB ARG A 29 2.148 -17.181 4.509 1.00 0.00 C ATOM 430 CG ARG A 29 2.290 -18.558 3.880 1.00 0.00 C ATOM 431 CD ARG A 29 1.024 -18.969 3.146 1.00 0.00 C ATOM 432 NE ARG A 29 0.901 -20.420 3.036 1.00 0.00 N ATOM 433 CZ ARG A 29 -0.213 -21.036 2.658 1.00 0.00 C ATOM 434 NH1 ARG A 29 -1.295 -20.332 2.354 1.00 0.00 N ATOM 435 NH2 ARG A 29 -0.247 -22.361 2.582 1.00 0.00 N ATOM 0 H ARG A 29 2.693 -17.707 6.854 1.00 0.00 H new ATOM 0 HA ARG A 29 4.289 -17.073 4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.347 -17.209 5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.848 -16.469 3.740 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.130 -18.557 3.186 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.517 -19.291 4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.156 -18.570 3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.024 -18.529 2.149 1.00 0.00 H new ATOM 0 HE ARG A 29 1.715 -20.991 3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.273 -19.314 2.410 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.149 -20.809 2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.583 -22.907 2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.103 -22.833 2.292 1.00 0.00 H new ATOM 449 N TRP A 30 3.163 -14.519 6.251 1.00 0.00 N ATOM 450 CA TRP A 30 3.171 -13.063 6.332 1.00 0.00 C ATOM 451 C TRP A 30 4.424 -12.565 7.044 1.00 0.00 C ATOM 452 O TRP A 30 4.910 -13.197 7.982 1.00 0.00 O ATOM 453 CB TRP A 30 1.923 -12.565 7.063 1.00 0.00 C ATOM 454 CG TRP A 30 1.826 -13.055 8.476 1.00 0.00 C ATOM 455 CD1 TRP A 30 2.404 -12.494 9.579 1.00 0.00 C ATOM 456 CD2 TRP A 30 1.111 -14.207 8.936 1.00 0.00 C ATOM 457 NE1 TRP A 30 2.091 -13.228 10.698 1.00 0.00 N ATOM 458 CE2 TRP A 30 1.298 -14.283 10.330 1.00 0.00 C ATOM 459 CE3 TRP A 30 0.330 -15.180 8.307 1.00 0.00 C ATOM 460 CZ2 TRP A 30 0.733 -15.295 11.103 1.00 0.00 C ATOM 461 CZ3 TRP A 30 -0.230 -16.183 9.075 1.00 0.00 C ATOM 462 CH2 TRP A 30 -0.027 -16.234 10.461 1.00 0.00 C ATOM 0 H TRP A 30 2.900 -14.988 7.117 1.00 0.00 H new ATOM 0 HA TRP A 30 3.171 -12.667 5.316 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.922 -11.475 7.063 1.00 0.00 H new ATOM 0 HB3 TRP A 30 1.037 -12.885 6.514 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.017 -11.605 9.573 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.399 -13.021 11.648 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.167 -15.149 7.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 0.889 -15.337 12.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.835 -16.941 8.599 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -0.479 -17.030 11.033 1.00 0.00 H new ATOM 473 N CYS A 31 4.943 -11.428 6.593 1.00 0.00 N ATOM 474 CA CYS A 31 6.140 -10.844 7.187 1.00 0.00 C ATOM 475 C CYS A 31 5.919 -10.535 8.665 1.00 0.00 C ATOM 476 O CYS A 31 4.947 -9.876 9.034 1.00 0.00 O ATOM 477 CB CYS A 31 6.535 -9.568 6.441 1.00 0.00 C ATOM 478 SG CYS A 31 7.666 -9.845 5.040 1.00 0.00 S ATOM 0 H CYS A 31 4.553 -10.892 5.818 1.00 0.00 H new ATOM 0 HA CYS A 31 6.948 -11.571 7.103 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.632 -9.080 6.074 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.006 -8.880 7.144 1.00 0.00 H new ATOM 483 N LYS A 32 6.827 -11.016 9.506 1.00 0.00 N ATOM 484 CA LYS A 32 6.735 -10.791 10.944 1.00 0.00 C ATOM 485 C LYS A 32 8.048 -10.245 11.495 1.00 0.00 C ATOM 486 O LYS A 32 9.122 -10.537 10.970 1.00 0.00 O ATOM 487 CB LYS A 32 6.370 -12.092 11.662 1.00 0.00 C ATOM 488 CG LYS A 32 4.874 -12.292 11.835 1.00 0.00 C ATOM 489 CD LYS A 32 4.548 -12.936 13.172 1.00 0.00 C ATOM 490 CE LYS A 32 4.711 -11.950 14.320 1.00 0.00 C ATOM 491 NZ LYS A 32 3.490 -11.121 14.515 1.00 0.00 N ATOM 0 H LYS A 32 7.636 -11.565 9.217 1.00 0.00 H new ATOM 0 HA LYS A 32 5.953 -10.053 11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.778 -12.933 11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.845 -12.102 12.643 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.366 -11.330 11.760 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.494 -12.917 11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.525 -13.312 13.156 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.201 -13.794 13.333 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.931 -12.495 15.238 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.564 -11.300 14.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.690 -10.363 15.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.206 -10.702 13.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.719 -11.718 14.876 1.00 0.00 H new ATOM 505 N TYR A 33 7.954 -9.452 12.557 1.00 0.00 N ATOM 506 CA TYR A 33 9.135 -8.864 13.179 1.00 0.00 C ATOM 507 C TYR A 33 9.967 -9.931 13.884 1.00 0.00 C ATOM 508 O TYR A 33 9.435 -10.932 14.363 1.00 0.00 O ATOM 509 CB TYR A 33 8.725 -7.779 14.176 1.00 0.00 C ATOM 510 CG TYR A 33 7.625 -8.209 15.120 1.00 0.00 C ATOM 511 CD1 TYR A 33 7.847 -9.192 16.076 1.00 0.00 C ATOM 512 CD2 TYR A 33 6.362 -7.632 15.055 1.00 0.00 C ATOM 513 CE1 TYR A 33 6.845 -9.588 16.940 1.00 0.00 C ATOM 514 CE2 TYR A 33 5.354 -8.021 15.916 1.00 0.00 C ATOM 515 CZ TYR A 33 5.600 -8.999 16.856 1.00 0.00 C ATOM 516 OH TYR A 33 4.599 -9.390 17.715 1.00 0.00 O ATOM 0 H TYR A 33 7.073 -9.202 13.005 1.00 0.00 H new ATOM 0 HA TYR A 33 9.743 -8.415 12.394 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.598 -7.484 14.759 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.396 -6.897 13.626 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.820 -9.655 16.145 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.165 -6.867 14.319 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.035 -10.354 17.677 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.379 -7.561 15.853 1.00 0.00 H new ATOM 0 HH TYR A 33 3.786 -8.877 17.525 1.00 0.00 H new ATOM 526 N GLN A 34 11.276 -9.708 13.942 1.00 0.00 N ATOM 527 CA GLN A 34 12.183 -10.649 14.589 1.00 0.00 C ATOM 528 C GLN A 34 11.999 -10.630 16.102 1.00 0.00 C ATOM 529 O GLN A 34 12.096 -9.579 16.736 1.00 0.00 O ATOM 530 CB GLN A 34 13.633 -10.317 14.235 1.00 0.00 C ATOM 531 CG GLN A 34 14.007 -10.671 12.804 1.00 0.00 C ATOM 532 CD GLN A 34 15.468 -10.403 12.499 1.00 0.00 C ATOM 533 OE1 GLN A 34 16.291 -10.281 13.407 1.00 0.00 O ATOM 534 NE2 GLN A 34 15.798 -10.311 11.216 1.00 0.00 N ATOM 0 H GLN A 34 11.732 -8.885 13.549 1.00 0.00 H new ATOM 0 HA GLN A 34 11.948 -11.650 14.226 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.802 -9.252 14.393 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.296 -10.849 14.917 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.790 -11.724 12.626 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.385 -10.097 12.117 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.083 -10.419 10.497 1.00 0.00 H new ATOM 0 HE22 GLN A 34 16.766 -10.133 10.950 1.00 0.00 H new ATOM 543 N ILE A 35 11.733 -11.799 16.676 1.00 0.00 N ATOM 544 CA ILE A 35 11.537 -11.916 18.115 1.00 0.00 C ATOM 545 C ILE A 35 12.849 -11.720 18.867 1.00 0.00 C ATOM 546 O ILE A 35 13.908 -12.153 18.413 1.00 0.00 O ATOM 547 CB ILE A 35 10.941 -13.285 18.493 1.00 0.00 C ATOM 548 CG1 ILE A 35 9.726 -13.596 17.618 1.00 0.00 C ATOM 549 CG2 ILE A 35 10.560 -13.309 19.966 1.00 0.00 C ATOM 550 CD1 ILE A 35 8.633 -12.554 17.708 1.00 0.00 C ATOM 0 H ILE A 35 11.648 -12.678 16.166 1.00 0.00 H new ATOM 0 HA ILE A 35 10.836 -11.132 18.402 1.00 0.00 H new ATOM 0 HB ILE A 35 11.695 -14.053 18.321 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.049 -13.684 16.581 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.318 -14.564 17.908 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.140 -14.283 20.217 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.446 -13.128 20.574 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.820 -12.533 20.163 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.803 -12.840 17.062 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.283 -12.482 18.738 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.024 -11.588 17.390 1.00 0.00 H new TER 562 ILE A 35