USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 283 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 9 SER OG : rot 27:sc= 1.86 USER MOD Set 1.2: A 11 LYS NZ :NH3+ -162:sc= 0.957 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= 2.15 (180deg=1.91) USER MOD Single : A 8 THR OG1 : rot -25:sc= 0.28 USER MOD Single : A 12 GLN : amide:sc= -0.495 K(o=-0.5,f=-2.1) USER MOD Single : A 18 LYS NZ :NH3+ 158:sc= 1.34 (180deg=1.02) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.1) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0375 K(o=-0.038,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= 1.54 (180deg=0.926) USER MOD Single : A 35 LYS NZ :NH3+ 157:sc= 1.57 (180deg=1.09) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 3.762 2.720 -2.305 1.00 1.00 N ATOM 18 CA VAL A 2 3.523 4.070 -2.766 1.00 1.00 C ATOM 19 C VAL A 2 3.338 3.726 -4.224 1.00 1.00 C ATOM 20 O VAL A 2 3.960 2.774 -4.698 1.00 1.00 O ATOM 21 CB VAL A 2 4.704 5.039 -2.636 1.00 1.00 C ATOM 22 CG1 VAL A 2 4.351 6.412 -3.241 1.00 1.00 C ATOM 23 CG2 VAL A 2 5.108 5.249 -1.166 1.00 1.00 C ATOM 0 HA VAL A 2 2.733 4.584 -2.219 1.00 1.00 H new ATOM 0 HB VAL A 2 5.538 4.592 -3.177 1.00 1.00 H new ATOM 0 HG11 VAL A 2 5.203 7.085 -3.138 1.00 1.00 H new ATOM 0 HG12 VAL A 2 4.108 6.293 -4.297 1.00 1.00 H new ATOM 0 HG13 VAL A 2 3.492 6.831 -2.716 1.00 1.00 H new ATOM 0 HG21 VAL A 2 5.948 5.942 -1.115 1.00 1.00 H new ATOM 0 HG22 VAL A 2 4.264 5.660 -0.612 1.00 1.00 H new ATOM 0 HG23 VAL A 2 5.398 4.294 -0.728 1.00 1.00 H new ATOM 33 N ILE A 3 2.451 4.399 -4.941 1.00 1.00 N ATOM 34 CA ILE A 3 2.259 4.300 -6.337 1.00 1.00 C ATOM 35 C ILE A 3 2.080 5.738 -6.756 1.00 1.00 C ATOM 36 O ILE A 3 1.480 6.547 -6.056 1.00 1.00 O ATOM 37 CB ILE A 3 0.989 3.551 -6.680 1.00 1.00 C ATOM 38 CG1 ILE A 3 0.005 3.406 -5.489 1.00 1.00 C ATOM 39 CG2 ILE A 3 1.403 2.194 -7.275 1.00 1.00 C ATOM 40 CD1 ILE A 3 -1.341 2.811 -5.901 1.00 1.00 C ATOM 0 H ILE A 3 1.814 5.069 -4.510 1.00 1.00 H new ATOM 0 HA ILE A 3 3.080 3.772 -6.821 1.00 1.00 H new ATOM 0 HB ILE A 3 0.420 4.128 -7.409 1.00 1.00 H new ATOM 0 HG12 ILE A 3 0.458 2.774 -4.725 1.00 1.00 H new ATOM 0 HG13 ILE A 3 -0.159 4.385 -5.038 1.00 1.00 H new ATOM 0 HG21 ILE A 3 0.511 1.624 -7.535 1.00 1.00 H new ATOM 0 HG22 ILE A 3 2.004 2.357 -8.170 1.00 1.00 H new ATOM 0 HG23 ILE A 3 1.988 1.638 -6.542 1.00 1.00 H new ATOM 0 HD11 ILE A 3 -1.987 2.734 -5.027 1.00 1.00 H new ATOM 0 HD12 ILE A 3 -1.811 3.455 -6.644 1.00 1.00 H new ATOM 0 HD13 ILE A 3 -1.186 1.820 -6.326 1.00 1.00 H new ATOM 52 N ASP A 4 2.560 6.073 -7.951 1.00 1.00 N ATOM 53 CA ASP A 4 2.619 7.411 -8.488 1.00 1.00 C ATOM 54 C ASP A 4 1.379 7.771 -9.298 1.00 1.00 C ATOM 55 O ASP A 4 1.393 8.398 -10.361 1.00 1.00 O ATOM 56 CB ASP A 4 3.981 7.722 -9.163 1.00 1.00 C ATOM 57 CG ASP A 4 4.222 9.219 -9.214 1.00 1.00 C ATOM 58 OD1 ASP A 4 4.077 9.891 -8.160 1.00 1.00 O ATOM 59 OD2 ASP A 4 4.503 9.747 -10.315 1.00 1.00 O ATOM 0 H ASP A 4 2.935 5.377 -8.596 1.00 1.00 H new ATOM 0 HA ASP A 4 2.586 8.105 -7.648 1.00 1.00 H new ATOM 0 HB2 ASP A 4 4.786 7.237 -8.611 1.00 1.00 H new ATOM 0 HB3 ASP A 4 3.995 7.311 -10.173 1.00 1.00 H new ATOM 64 N VAL A 5 0.233 7.428 -8.703 1.00 1.00 N ATOM 65 CA VAL A 5 -1.063 7.919 -9.085 1.00 1.00 C ATOM 66 C VAL A 5 -1.219 9.240 -8.369 1.00 1.00 C ATOM 67 O VAL A 5 -1.318 9.299 -7.144 1.00 1.00 O ATOM 68 CB VAL A 5 -2.208 6.978 -8.746 1.00 1.00 C ATOM 69 CG1 VAL A 5 -3.542 7.597 -9.218 1.00 1.00 C ATOM 70 CG2 VAL A 5 -1.961 5.629 -9.451 1.00 1.00 C ATOM 0 H VAL A 5 0.198 6.778 -7.918 1.00 1.00 H new ATOM 0 HA VAL A 5 -1.114 8.016 -10.169 1.00 1.00 H new ATOM 0 HB VAL A 5 -2.262 6.820 -7.669 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -4.363 6.922 -8.975 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -3.697 8.552 -8.717 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -3.509 7.754 -10.296 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -2.775 4.942 -9.218 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -1.916 5.785 -10.529 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -1.018 5.205 -9.106 1.00 1.00 H new ATOM 80 N LYS A 6 -1.131 10.348 -9.117 1.00 1.00 N ATOM 81 CA LYS A 6 -0.924 11.652 -8.528 1.00 1.00 C ATOM 82 C LYS A 6 -2.221 12.330 -8.150 1.00 1.00 C ATOM 83 O LYS A 6 -3.266 12.148 -8.776 1.00 1.00 O ATOM 84 CB LYS A 6 -0.014 12.523 -9.413 1.00 1.00 C ATOM 85 CG LYS A 6 1.427 11.986 -9.394 1.00 1.00 C ATOM 86 CD LYS A 6 2.338 12.528 -10.508 1.00 1.00 C ATOM 87 CE LYS A 6 2.167 11.860 -11.880 1.00 1.00 C ATOM 88 NZ LYS A 6 2.545 10.438 -11.822 1.00 1.00 N ATOM 0 H LYS A 6 -1.202 10.353 -10.135 1.00 1.00 H new ATOM 0 HA LYS A 6 -0.396 11.507 -7.585 1.00 1.00 H new ATOM 0 HB2 LYS A 6 -0.392 12.532 -10.435 1.00 1.00 H new ATOM 0 HB3 LYS A 6 -0.029 13.553 -9.058 1.00 1.00 H new ATOM 0 HG2 LYS A 6 1.875 12.226 -8.430 1.00 1.00 H new ATOM 0 HG3 LYS A 6 1.395 10.899 -9.469 1.00 1.00 H new ATOM 0 HD2 LYS A 6 2.154 13.597 -10.617 1.00 1.00 H new ATOM 0 HD3 LYS A 6 3.375 12.414 -10.194 1.00 1.00 H new ATOM 0 HE2 LYS A 6 1.131 11.952 -12.207 1.00 1.00 H new ATOM 0 HE3 LYS A 6 2.782 12.374 -12.619 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 2.635 10.063 -12.788 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 3.454 10.340 -11.327 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 1.813 9.905 -11.310 1.00 1.00 H new ATOM 102 N CYS A 7 -2.192 13.078 -7.035 1.00 1.00 N ATOM 103 CA CYS A 7 -3.402 13.477 -6.351 1.00 1.00 C ATOM 104 C CYS A 7 -3.622 14.958 -6.128 1.00 1.00 C ATOM 105 O CYS A 7 -2.747 15.746 -5.798 1.00 1.00 O ATOM 106 CB CYS A 7 -3.591 12.733 -5.009 1.00 1.00 C ATOM 107 SG CYS A 7 -2.077 12.552 -4.021 1.00 1.00 S ATOM 0 H CYS A 7 -1.333 13.412 -6.598 1.00 1.00 H new ATOM 0 HA CYS A 7 -4.162 13.182 -7.075 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -4.334 13.266 -4.416 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -3.996 11.742 -5.213 1.00 1.00 H new ATOM 112 N THR A 8 -4.909 15.309 -6.264 1.00 1.00 N ATOM 113 CA THR A 8 -5.521 16.608 -5.997 1.00 1.00 C ATOM 114 C THR A 8 -6.515 16.441 -4.851 1.00 1.00 C ATOM 115 O THR A 8 -7.235 17.330 -4.407 1.00 1.00 O ATOM 116 CB THR A 8 -6.202 17.156 -7.261 1.00 1.00 C ATOM 117 OG1 THR A 8 -6.882 18.387 -7.062 1.00 1.00 O ATOM 118 CG2 THR A 8 -7.244 16.165 -7.812 1.00 1.00 C ATOM 0 H THR A 8 -5.600 14.633 -6.590 1.00 1.00 H new ATOM 0 HA THR A 8 -4.759 17.333 -5.710 1.00 1.00 H new ATOM 0 HB THR A 8 -5.379 17.310 -7.959 1.00 1.00 H new ATOM 0 HG1 THR A 8 -7.143 18.468 -6.121 1.00 1.00 H new ATOM 0 HG21 THR A 8 -7.707 16.583 -8.706 1.00 1.00 H new ATOM 0 HG22 THR A 8 -6.754 15.224 -8.063 1.00 1.00 H new ATOM 0 HG23 THR A 8 -8.010 15.985 -7.057 1.00 1.00 H new ATOM 126 N SER A 9 -6.607 15.217 -4.320 1.00 1.00 N ATOM 127 CA SER A 9 -7.565 14.838 -3.310 1.00 1.00 C ATOM 128 C SER A 9 -7.191 13.430 -2.910 1.00 1.00 C ATOM 129 O SER A 9 -6.638 12.731 -3.756 1.00 1.00 O ATOM 130 CB SER A 9 -8.997 14.735 -3.896 1.00 1.00 C ATOM 131 OG SER A 9 -9.626 16.006 -4.068 1.00 1.00 O ATOM 0 H SER A 9 -5.994 14.451 -4.598 1.00 1.00 H new ATOM 0 HA SER A 9 -7.553 15.569 -2.502 1.00 1.00 H new ATOM 0 HB2 SER A 9 -8.953 14.225 -4.858 1.00 1.00 H new ATOM 0 HB3 SER A 9 -9.609 14.120 -3.237 1.00 1.00 H new ATOM 0 HG SER A 9 -8.941 16.695 -4.197 1.00 1.00 H new ATOM 137 N PRO A 10 -7.467 12.903 -1.721 1.00 1.00 N ATOM 138 CA PRO A 10 -7.131 11.515 -1.382 1.00 1.00 C ATOM 139 C PRO A 10 -7.957 10.513 -2.150 1.00 1.00 C ATOM 140 O PRO A 10 -7.524 9.379 -2.321 1.00 1.00 O ATOM 141 CB PRO A 10 -7.417 11.443 0.116 1.00 1.00 C ATOM 142 CG PRO A 10 -8.476 12.522 0.366 1.00 1.00 C ATOM 143 CD PRO A 10 -8.066 13.628 -0.596 1.00 1.00 C ATOM 0 HA PRO A 10 -6.102 11.265 -1.640 1.00 1.00 H new ATOM 0 HB2 PRO A 10 -7.782 10.457 0.402 1.00 1.00 H new ATOM 0 HB3 PRO A 10 -6.516 11.631 0.700 1.00 1.00 H new ATOM 0 HG2 PRO A 10 -9.482 12.157 0.158 1.00 1.00 H new ATOM 0 HG3 PRO A 10 -8.469 12.863 1.401 1.00 1.00 H new ATOM 0 HD2 PRO A 10 -8.923 14.222 -0.913 1.00 1.00 H new ATOM 0 HD3 PRO A 10 -7.355 14.315 -0.137 1.00 1.00 H new ATOM 151 N LYS A 11 -9.129 10.925 -2.659 1.00 1.00 N ATOM 152 CA LYS A 11 -10.049 10.099 -3.425 1.00 1.00 C ATOM 153 C LYS A 11 -9.415 9.451 -4.652 1.00 1.00 C ATOM 154 O LYS A 11 -9.712 8.316 -5.001 1.00 1.00 O ATOM 155 CB LYS A 11 -11.360 10.866 -3.732 1.00 1.00 C ATOM 156 CG LYS A 11 -11.238 11.938 -4.820 1.00 1.00 C ATOM 157 CD LYS A 11 -12.132 13.167 -4.589 1.00 1.00 C ATOM 158 CE LYS A 11 -11.968 14.166 -5.743 1.00 1.00 C ATOM 159 NZ LYS A 11 -12.174 15.570 -5.317 1.00 1.00 N ATOM 0 H LYS A 11 -9.466 11.880 -2.538 1.00 1.00 H new ATOM 0 HA LYS A 11 -10.317 9.252 -2.794 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -12.122 10.148 -4.033 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -11.712 11.338 -2.815 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -10.199 12.263 -4.881 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -11.490 11.494 -5.783 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -13.174 12.858 -4.511 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -11.870 13.644 -3.645 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -10.970 14.062 -6.169 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -12.678 13.922 -6.533 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -12.356 16.163 -6.152 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -12.988 15.621 -4.672 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -11.323 15.913 -4.827 1.00 1.00 H new ATOM 173 N GLN A 12 -8.425 10.137 -5.258 1.00 1.00 N ATOM 174 CA GLN A 12 -7.665 9.655 -6.408 1.00 1.00 C ATOM 175 C GLN A 12 -6.860 8.395 -6.127 1.00 1.00 C ATOM 176 O GLN A 12 -6.528 7.628 -7.022 1.00 1.00 O ATOM 177 CB GLN A 12 -6.663 10.713 -6.954 1.00 1.00 C ATOM 178 CG GLN A 12 -7.210 12.144 -7.181 1.00 1.00 C ATOM 179 CD GLN A 12 -8.528 12.205 -7.949 1.00 1.00 C ATOM 180 OE1 GLN A 12 -9.505 12.750 -7.430 1.00 1.00 O ATOM 181 NE2 GLN A 12 -8.566 11.676 -9.186 1.00 1.00 N ATOM 0 H GLN A 12 -8.132 11.063 -4.947 1.00 1.00 H new ATOM 0 HA GLN A 12 -8.439 9.439 -7.145 1.00 1.00 H new ATOM 0 HB2 GLN A 12 -5.825 10.776 -6.260 1.00 1.00 H new ATOM 0 HB3 GLN A 12 -6.266 10.347 -7.901 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -7.346 12.625 -6.212 1.00 1.00 H new ATOM 0 HG3 GLN A 12 -6.462 12.723 -7.722 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -7.734 11.234 -9.577 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -9.427 11.717 -9.732 1.00 1.00 H new ATOM 190 N CYS A 13 -6.544 8.155 -4.846 1.00 1.00 N ATOM 191 CA CYS A 13 -5.813 6.991 -4.398 1.00 1.00 C ATOM 192 C CYS A 13 -6.721 5.778 -4.219 1.00 1.00 C ATOM 193 O CYS A 13 -6.269 4.633 -4.246 1.00 1.00 O ATOM 194 CB CYS A 13 -5.098 7.369 -3.080 1.00 1.00 C ATOM 195 SG CYS A 13 -3.918 6.177 -2.378 1.00 1.00 S ATOM 0 H CYS A 13 -6.801 8.786 -4.087 1.00 1.00 H new ATOM 0 HA CYS A 13 -5.083 6.700 -5.153 1.00 1.00 H new ATOM 0 HB2 CYS A 13 -4.567 8.307 -3.245 1.00 1.00 H new ATOM 0 HB3 CYS A 13 -5.863 7.564 -2.329 1.00 1.00 H new ATOM 200 N LEU A 14 -8.048 5.988 -4.057 1.00 1.00 N ATOM 201 CA LEU A 14 -8.962 4.909 -3.755 1.00 1.00 C ATOM 202 C LEU A 14 -9.158 3.910 -4.899 1.00 1.00 C ATOM 203 O LEU A 14 -8.972 2.720 -4.640 1.00 1.00 O ATOM 204 CB LEU A 14 -10.304 5.450 -3.198 1.00 1.00 C ATOM 205 CG LEU A 14 -11.290 4.375 -2.691 1.00 1.00 C ATOM 206 CD1 LEU A 14 -10.711 3.539 -1.541 1.00 1.00 C ATOM 207 CD2 LEU A 14 -12.603 5.033 -2.246 1.00 1.00 C ATOM 0 H LEU A 14 -8.491 6.903 -4.134 1.00 1.00 H new ATOM 0 HA LEU A 14 -8.485 4.325 -2.968 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -10.088 6.136 -2.379 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -10.795 6.030 -3.979 1.00 1.00 H new ATOM 0 HG LEU A 14 -11.477 3.696 -3.523 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -11.446 2.799 -1.223 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -9.808 3.031 -1.879 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -10.468 4.192 -0.703 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -13.292 4.267 -1.890 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -12.401 5.741 -1.442 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -13.050 5.559 -3.089 1.00 1.00 H new ATOM 219 N PRO A 15 -9.481 4.247 -6.153 1.00 1.00 N ATOM 220 CA PRO A 15 -9.587 3.250 -7.208 1.00 1.00 C ATOM 221 C PRO A 15 -8.283 2.532 -7.575 1.00 1.00 C ATOM 222 O PRO A 15 -8.460 1.379 -7.963 1.00 1.00 O ATOM 223 CB PRO A 15 -10.254 3.993 -8.380 1.00 1.00 C ATOM 224 CG PRO A 15 -9.967 5.483 -8.149 1.00 1.00 C ATOM 225 CD PRO A 15 -9.753 5.606 -6.638 1.00 1.00 C ATOM 0 HA PRO A 15 -10.182 2.401 -6.873 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -9.848 3.660 -9.335 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -11.327 3.801 -8.405 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -9.085 5.807 -8.702 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -10.799 6.103 -8.483 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -8.920 6.273 -6.415 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -10.635 6.024 -6.152 1.00 1.00 H new ATOM 233 N PRO A 16 -7.019 2.977 -7.510 1.00 1.00 N ATOM 234 CA PRO A 16 -5.888 2.062 -7.616 1.00 1.00 C ATOM 235 C PRO A 16 -5.707 1.227 -6.379 1.00 1.00 C ATOM 236 O PRO A 16 -5.387 0.046 -6.461 1.00 1.00 O ATOM 237 CB PRO A 16 -4.669 2.967 -7.843 1.00 1.00 C ATOM 238 CG PRO A 16 -5.096 4.344 -7.339 1.00 1.00 C ATOM 239 CD PRO A 16 -6.592 4.370 -7.632 1.00 1.00 C ATOM 0 HA PRO A 16 -6.038 1.347 -8.425 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -3.799 2.600 -7.298 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -4.394 3.001 -8.897 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.891 4.465 -6.275 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -4.569 5.145 -7.858 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -7.122 5.010 -6.927 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.793 4.760 -8.630 1.00 1.00 H new ATOM 247 N CYS A 17 -5.888 1.797 -5.186 1.00 1.00 N ATOM 248 CA CYS A 17 -5.694 1.074 -3.954 1.00 1.00 C ATOM 249 C CYS A 17 -6.661 -0.085 -3.829 1.00 1.00 C ATOM 250 O CYS A 17 -6.301 -1.262 -3.767 1.00 1.00 O ATOM 251 CB CYS A 17 -5.807 2.012 -2.735 1.00 1.00 C ATOM 252 SG CYS A 17 -5.333 1.260 -1.154 1.00 1.00 S ATOM 0 H CYS A 17 -6.172 2.769 -5.060 1.00 1.00 H new ATOM 0 HA CYS A 17 -4.685 0.663 -3.976 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -5.181 2.887 -2.908 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -6.835 2.366 -2.660 1.00 1.00 H new ATOM 257 N LYS A 18 -7.955 0.235 -3.860 1.00 1.00 N ATOM 258 CA LYS A 18 -9.046 -0.687 -4.046 1.00 1.00 C ATOM 259 C LYS A 18 -9.159 -1.213 -5.473 1.00 1.00 C ATOM 260 O LYS A 18 -10.208 -1.694 -5.894 1.00 1.00 O ATOM 261 CB LYS A 18 -10.397 -0.165 -3.491 1.00 1.00 C ATOM 262 CG LYS A 18 -11.232 -1.177 -2.656 1.00 1.00 C ATOM 263 CD LYS A 18 -11.903 -2.347 -3.419 1.00 1.00 C ATOM 264 CE LYS A 18 -11.029 -3.604 -3.622 1.00 1.00 C ATOM 265 NZ LYS A 18 -11.040 -4.039 -5.039 1.00 1.00 N ATOM 0 H LYS A 18 -8.274 1.198 -3.749 1.00 1.00 H new ATOM 0 HA LYS A 18 -8.789 -1.551 -3.432 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -10.198 0.709 -2.871 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -11.006 0.171 -4.330 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -10.581 -1.602 -1.892 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -12.013 -0.622 -2.136 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -12.805 -2.638 -2.881 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -12.219 -1.985 -4.397 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -10.006 -3.393 -3.311 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -11.395 -4.411 -2.988 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -10.197 -4.618 -5.231 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -11.895 -4.601 -5.223 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -11.035 -3.204 -5.659 1.00 1.00 H new ATOM 279 N ALA A 19 -8.097 -1.190 -6.290 1.00 1.00 N ATOM 280 CA ALA A 19 -8.039 -2.080 -7.428 1.00 1.00 C ATOM 281 C ALA A 19 -7.812 -3.485 -6.908 1.00 1.00 C ATOM 282 O ALA A 19 -8.699 -4.330 -6.765 1.00 1.00 O ATOM 283 CB ALA A 19 -6.906 -1.685 -8.401 1.00 1.00 C ATOM 0 H ALA A 19 -7.290 -0.576 -6.178 1.00 1.00 H new ATOM 0 HA ALA A 19 -8.975 -2.018 -7.983 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -6.893 -2.376 -9.244 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -7.076 -0.672 -8.765 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -5.949 -1.728 -7.882 1.00 1.00 H new ATOM 289 N GLN A 20 -6.544 -3.672 -6.544 1.00 1.00 N ATOM 290 CA GLN A 20 -5.847 -4.900 -6.395 1.00 1.00 C ATOM 291 C GLN A 20 -5.370 -5.145 -4.985 1.00 1.00 C ATOM 292 O GLN A 20 -5.339 -6.281 -4.522 1.00 1.00 O ATOM 293 CB GLN A 20 -4.668 -4.986 -7.405 1.00 1.00 C ATOM 294 CG GLN A 20 -3.545 -3.938 -7.198 1.00 1.00 C ATOM 295 CD GLN A 20 -2.497 -3.952 -8.312 1.00 1.00 C ATOM 296 OE1 GLN A 20 -2.299 -2.964 -9.014 1.00 1.00 O ATOM 297 NE2 GLN A 20 -1.787 -5.088 -8.477 1.00 1.00 N ATOM 0 H GLN A 20 -5.942 -2.876 -6.331 1.00 1.00 H new ATOM 0 HA GLN A 20 -6.562 -5.693 -6.616 1.00 1.00 H new ATOM 0 HB2 GLN A 20 -4.230 -5.982 -7.343 1.00 1.00 H new ATOM 0 HB3 GLN A 20 -5.066 -4.875 -8.414 1.00 1.00 H new ATOM 0 HG2 GLN A 20 -3.990 -2.945 -7.139 1.00 1.00 H new ATOM 0 HG3 GLN A 20 -3.054 -4.125 -6.243 1.00 1.00 H new ATOM 0 HE21 GLN A 20 -1.970 -5.895 -7.881 1.00 1.00 H new ATOM 0 HE22 GLN A 20 -1.067 -5.139 -9.198 1.00 1.00 H new ATOM 306 N PHE A 21 -4.984 -4.087 -4.245 1.00 1.00 N ATOM 307 CA PHE A 21 -4.249 -4.224 -3.017 1.00 1.00 C ATOM 308 C PHE A 21 -5.126 -4.654 -1.861 1.00 1.00 C ATOM 309 O PHE A 21 -4.689 -5.347 -0.948 1.00 1.00 O ATOM 310 CB PHE A 21 -3.601 -2.866 -2.700 1.00 1.00 C ATOM 311 CG PHE A 21 -2.532 -2.520 -3.701 1.00 1.00 C ATOM 312 CD1 PHE A 21 -1.292 -3.176 -3.668 1.00 1.00 C ATOM 313 CD2 PHE A 21 -2.763 -1.555 -4.694 1.00 1.00 C ATOM 314 CE1 PHE A 21 -0.303 -2.879 -4.616 1.00 1.00 C ATOM 315 CE2 PHE A 21 -1.780 -1.254 -5.643 1.00 1.00 C ATOM 316 CZ PHE A 21 -0.548 -1.918 -5.605 1.00 1.00 C ATOM 0 H PHE A 21 -5.184 -3.120 -4.501 1.00 1.00 H new ATOM 0 HA PHE A 21 -3.498 -5.003 -3.147 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -4.365 -2.088 -2.698 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -3.170 -2.892 -1.699 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -1.098 -3.916 -2.906 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -3.711 -1.039 -4.726 1.00 1.00 H new ATOM 0 HE1 PHE A 21 0.647 -3.391 -4.584 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -1.971 -0.511 -6.403 1.00 1.00 H new ATOM 0 HZ PHE A 21 0.212 -1.690 -6.337 1.00 1.00 H new ATOM 326 N GLY A 22 -6.418 -4.277 -1.867 1.00 1.00 N ATOM 327 CA GLY A 22 -7.321 -4.921 -0.940 1.00 1.00 C ATOM 328 C GLY A 22 -8.658 -4.274 -0.781 1.00 1.00 C ATOM 329 O GLY A 22 -8.829 -3.085 -0.999 1.00 1.00 O ATOM 0 H GLY A 22 -6.829 -3.568 -2.474 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -7.473 -5.950 -1.265 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -6.840 -4.963 0.037 1.00 1.00 H new ATOM 333 N ILE A 23 -9.662 -5.058 -0.346 1.00 1.00 N ATOM 334 CA ILE A 23 -10.885 -4.583 0.264 1.00 1.00 C ATOM 335 C ILE A 23 -10.648 -4.028 1.675 1.00 1.00 C ATOM 336 O ILE A 23 -11.366 -3.179 2.180 1.00 1.00 O ATOM 337 CB ILE A 23 -11.911 -5.717 0.237 1.00 1.00 C ATOM 338 CG1 ILE A 23 -13.294 -5.198 0.669 1.00 1.00 C ATOM 339 CG2 ILE A 23 -11.448 -6.930 1.078 1.00 1.00 C ATOM 340 CD1 ILE A 23 -14.441 -6.175 0.390 1.00 1.00 C ATOM 0 H ILE A 23 -9.627 -6.075 -0.420 1.00 1.00 H new ATOM 0 HA ILE A 23 -11.276 -3.741 -0.307 1.00 1.00 H new ATOM 0 HB ILE A 23 -11.998 -6.076 -0.789 1.00 1.00 H new ATOM 0 HG12 ILE A 23 -13.271 -4.976 1.736 1.00 1.00 H new ATOM 0 HG13 ILE A 23 -13.496 -4.259 0.153 1.00 1.00 H new ATOM 0 HG21 ILE A 23 -12.204 -7.714 1.033 1.00 1.00 H new ATOM 0 HG22 ILE A 23 -10.507 -7.310 0.681 1.00 1.00 H new ATOM 0 HG23 ILE A 23 -11.306 -6.622 2.114 1.00 1.00 H new ATOM 0 HD11 ILE A 23 -15.382 -5.736 0.723 1.00 1.00 H new ATOM 0 HD12 ILE A 23 -14.494 -6.378 -0.680 1.00 1.00 H new ATOM 0 HD13 ILE A 23 -14.265 -7.106 0.928 1.00 1.00 H new ATOM 352 N ARG A 24 -9.575 -4.508 2.331 1.00 1.00 N ATOM 353 CA ARG A 24 -9.098 -4.156 3.641 1.00 1.00 C ATOM 354 C ARG A 24 -8.271 -2.875 3.581 1.00 1.00 C ATOM 355 O ARG A 24 -8.090 -2.182 4.578 1.00 1.00 O ATOM 356 CB ARG A 24 -8.262 -5.410 4.058 1.00 1.00 C ATOM 357 CG ARG A 24 -7.407 -5.421 5.345 1.00 1.00 C ATOM 358 CD ARG A 24 -8.131 -5.137 6.668 1.00 1.00 C ATOM 359 NE ARG A 24 -8.040 -3.664 6.849 1.00 1.00 N ATOM 360 CZ ARG A 24 -6.971 -3.070 7.401 1.00 1.00 C ATOM 361 NH1 ARG A 24 -6.153 -3.692 8.234 1.00 1.00 N ATOM 362 NH2 ARG A 24 -6.643 -1.858 6.985 1.00 1.00 N ATOM 0 H ARG A 24 -8.980 -5.215 1.900 1.00 1.00 H new ATOM 0 HA ARG A 24 -9.885 -3.937 4.363 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -8.959 -6.244 4.134 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -7.589 -5.632 3.229 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -6.928 -6.397 5.424 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -6.612 -4.684 5.229 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -9.169 -5.466 6.628 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -7.661 -5.666 7.497 1.00 1.00 H new ATOM 0 HE ARG A 24 -8.820 -3.083 6.542 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -6.322 -4.667 8.482 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -5.353 -3.197 8.628 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -7.198 -1.399 6.262 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -5.835 -1.382 7.387 1.00 1.00 H new ATOM 376 N ALA A 25 -7.733 -2.535 2.399 1.00 1.00 N ATOM 377 CA ALA A 25 -6.816 -1.434 2.228 1.00 1.00 C ATOM 378 C ALA A 25 -7.415 -0.031 2.373 1.00 1.00 C ATOM 379 O ALA A 25 -8.594 0.194 2.130 1.00 1.00 O ATOM 380 CB ALA A 25 -6.104 -1.582 0.869 1.00 1.00 C ATOM 0 H ALA A 25 -7.936 -3.034 1.533 1.00 1.00 H new ATOM 0 HA ALA A 25 -6.114 -1.504 3.059 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -5.409 -0.754 0.731 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -5.556 -2.524 0.846 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -6.843 -1.573 0.068 1.00 1.00 H new ATOM 386 N GLY A 26 -6.578 0.953 2.763 1.00 1.00 N ATOM 387 CA GLY A 26 -6.953 2.359 2.863 1.00 1.00 C ATOM 388 C GLY A 26 -6.021 3.154 2.017 1.00 1.00 C ATOM 389 O GLY A 26 -5.037 2.643 1.510 1.00 1.00 O ATOM 0 H GLY A 26 -5.606 0.778 3.020 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -7.982 2.502 2.532 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -6.903 2.692 3.900 1.00 1.00 H new ATOM 393 N ALA A 27 -6.272 4.439 1.802 1.00 1.00 N ATOM 394 CA ALA A 27 -5.692 5.114 0.676 1.00 1.00 C ATOM 395 C ALA A 27 -5.581 6.586 0.994 1.00 1.00 C ATOM 396 O ALA A 27 -6.539 7.218 1.434 1.00 1.00 O ATOM 397 CB ALA A 27 -6.661 4.909 -0.501 1.00 1.00 C ATOM 0 H ALA A 27 -6.868 5.019 2.392 1.00 1.00 H new ATOM 0 HA ALA A 27 -4.700 4.731 0.438 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -6.266 5.405 -1.388 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -6.771 3.843 -0.700 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -7.633 5.334 -0.250 1.00 1.00 H new ATOM 403 N LYS A 28 -4.403 7.195 0.796 1.00 1.00 N ATOM 404 CA LYS A 28 -4.323 8.637 0.975 1.00 1.00 C ATOM 405 C LYS A 28 -3.309 9.263 0.058 1.00 1.00 C ATOM 406 O LYS A 28 -2.585 8.598 -0.661 1.00 1.00 O ATOM 407 CB LYS A 28 -4.152 9.089 2.463 1.00 1.00 C ATOM 408 CG LYS A 28 -2.978 8.474 3.246 1.00 1.00 C ATOM 409 CD LYS A 28 -1.571 9.051 2.980 1.00 1.00 C ATOM 410 CE LYS A 28 -1.049 10.069 4.007 1.00 1.00 C ATOM 411 NZ LYS A 28 -1.708 11.381 3.846 1.00 1.00 N ATOM 0 H LYS A 28 -3.535 6.732 0.525 1.00 1.00 H new ATOM 0 HA LYS A 28 -5.301 9.020 0.682 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -4.039 10.173 2.478 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -5.074 8.857 2.996 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.190 8.579 4.310 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -2.951 7.406 3.030 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -0.865 8.222 2.930 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -1.575 9.526 1.999 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -1.224 9.693 5.015 1.00 1.00 H new ATOM 0 HE3 LYS A 28 0.029 10.185 3.892 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -1.221 12.088 4.432 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -1.666 11.670 2.848 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -2.702 11.309 4.144 1.00 1.00 H new ATOM 425 N CYS A 29 -3.268 10.601 0.079 1.00 1.00 N ATOM 426 CA CYS A 29 -2.388 11.428 -0.716 1.00 1.00 C ATOM 427 C CYS A 29 -1.189 11.851 0.117 1.00 1.00 C ATOM 428 O CYS A 29 -1.350 12.256 1.274 1.00 1.00 O ATOM 429 CB CYS A 29 -3.175 12.675 -1.216 1.00 1.00 C ATOM 430 SG CYS A 29 -2.306 13.745 -2.404 1.00 1.00 S ATOM 0 H CYS A 29 -3.880 11.150 0.683 1.00 1.00 H new ATOM 0 HA CYS A 29 -2.027 10.866 -1.577 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -4.103 12.334 -1.676 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -3.451 13.277 -0.350 1.00 1.00 H new ATOM 435 N MET A 30 0.028 11.722 -0.408 1.00 1.00 N ATOM 436 CA MET A 30 1.249 12.202 0.196 1.00 1.00 C ATOM 437 C MET A 30 2.342 12.296 -0.841 1.00 1.00 C ATOM 438 O MET A 30 2.449 11.455 -1.724 1.00 1.00 O ATOM 439 CB MET A 30 1.725 11.237 1.296 1.00 1.00 C ATOM 440 CG MET A 30 2.861 11.746 2.198 1.00 1.00 C ATOM 441 SD MET A 30 3.138 10.651 3.620 1.00 1.00 S ATOM 442 CE MET A 30 4.544 11.596 4.270 1.00 1.00 C ATOM 0 H MET A 30 0.186 11.260 -1.303 1.00 1.00 H new ATOM 0 HA MET A 30 1.043 13.184 0.623 1.00 1.00 H new ATOM 0 HB2 MET A 30 0.872 10.988 1.927 1.00 1.00 H new ATOM 0 HB3 MET A 30 2.052 10.311 0.822 1.00 1.00 H new ATOM 0 HG2 MET A 30 3.779 11.825 1.616 1.00 1.00 H new ATOM 0 HG3 MET A 30 2.622 12.748 2.553 1.00 1.00 H new ATOM 0 HE1 MET A 30 4.916 11.118 5.177 1.00 1.00 H new ATOM 0 HE2 MET A 30 5.338 11.626 3.524 1.00 1.00 H new ATOM 0 HE3 MET A 30 4.224 12.612 4.500 1.00 1.00 H new ATOM 452 N ASN A 31 3.172 13.354 -0.788 1.00 1.00 N ATOM 453 CA ASN A 31 4.276 13.610 -1.718 1.00 1.00 C ATOM 454 C ASN A 31 3.757 13.732 -3.159 1.00 1.00 C ATOM 455 O ASN A 31 4.337 13.284 -4.150 1.00 1.00 O ATOM 456 CB ASN A 31 5.418 12.567 -1.525 1.00 1.00 C ATOM 457 CG ASN A 31 6.733 13.059 -2.112 1.00 1.00 C ATOM 458 OD1 ASN A 31 6.848 14.184 -2.584 1.00 1.00 O ATOM 459 ND2 ASN A 31 7.778 12.202 -2.071 1.00 1.00 N ATOM 0 H ASN A 31 3.086 14.075 -0.072 1.00 1.00 H new ATOM 0 HA ASN A 31 4.728 14.575 -1.491 1.00 1.00 H new ATOM 0 HB2 ASN A 31 5.548 12.362 -0.462 1.00 1.00 H new ATOM 0 HB3 ASN A 31 5.137 11.627 -1.999 1.00 1.00 H new ATOM 0 HD21 ASN A 31 8.686 12.487 -2.438 1.00 1.00 H new ATOM 0 HD22 ASN A 31 7.658 11.270 -1.673 1.00 1.00 H new ATOM 466 N GLY A 32 2.548 14.309 -3.259 1.00 1.00 N ATOM 467 CA GLY A 32 1.809 14.472 -4.505 1.00 1.00 C ATOM 468 C GLY A 32 1.201 13.218 -5.087 1.00 1.00 C ATOM 469 O GLY A 32 0.599 13.276 -6.153 1.00 1.00 O ATOM 0 H GLY A 32 2.052 14.682 -2.450 1.00 1.00 H new ATOM 0 HA2 GLY A 32 1.010 15.195 -4.338 1.00 1.00 H new ATOM 0 HA3 GLY A 32 2.480 14.904 -5.247 1.00 1.00 H new ATOM 473 N LYS A 33 1.323 12.039 -4.438 1.00 1.00 N ATOM 474 CA LYS A 33 0.805 10.808 -4.981 1.00 1.00 C ATOM 475 C LYS A 33 0.132 9.940 -3.936 1.00 1.00 C ATOM 476 O LYS A 33 0.044 10.253 -2.752 1.00 1.00 O ATOM 477 CB LYS A 33 1.875 10.011 -5.774 1.00 1.00 C ATOM 478 CG LYS A 33 2.939 9.215 -4.981 1.00 1.00 C ATOM 479 CD LYS A 33 4.058 10.006 -4.280 1.00 1.00 C ATOM 480 CE LYS A 33 5.284 10.358 -5.138 1.00 1.00 C ATOM 481 NZ LYS A 33 4.939 11.346 -6.173 1.00 1.00 N ATOM 0 H LYS A 33 1.782 11.936 -3.533 1.00 1.00 H new ATOM 0 HA LYS A 33 0.032 11.105 -5.690 1.00 1.00 H new ATOM 0 HB2 LYS A 33 1.352 9.309 -6.424 1.00 1.00 H new ATOM 0 HB3 LYS A 33 2.400 10.714 -6.421 1.00 1.00 H new ATOM 0 HG2 LYS A 33 2.421 8.627 -4.224 1.00 1.00 H new ATOM 0 HG3 LYS A 33 3.408 8.509 -5.667 1.00 1.00 H new ATOM 0 HD2 LYS A 33 3.632 10.933 -3.895 1.00 1.00 H new ATOM 0 HD3 LYS A 33 4.397 9.429 -3.419 1.00 1.00 H new ATOM 0 HE2 LYS A 33 6.076 10.754 -4.502 1.00 1.00 H new ATOM 0 HE3 LYS A 33 5.674 9.455 -5.608 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 5.809 11.779 -6.543 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 4.431 10.874 -6.948 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 4.333 12.084 -5.760 1.00 1.00 H new ATOM 495 N CYS A 34 -0.416 8.826 -4.403 1.00 1.00 N ATOM 496 CA CYS A 34 -1.120 7.835 -3.619 1.00 1.00 C ATOM 497 C CYS A 34 -0.242 7.017 -2.712 1.00 1.00 C ATOM 498 O CYS A 34 0.879 6.621 -2.998 1.00 1.00 O ATOM 499 CB CYS A 34 -1.910 6.894 -4.556 1.00 1.00 C ATOM 500 SG CYS A 34 -2.860 5.467 -3.932 1.00 1.00 S ATOM 0 H CYS A 34 -0.376 8.582 -5.393 1.00 1.00 H new ATOM 0 HA CYS A 34 -1.789 8.395 -2.966 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -2.612 7.519 -5.108 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -1.196 6.502 -5.280 1.00 1.00 H new ATOM 505 N LYS A 35 -0.826 6.680 -1.568 1.00 1.00 N ATOM 506 CA LYS A 35 -0.221 5.848 -0.590 1.00 1.00 C ATOM 507 C LYS A 35 -1.347 4.947 -0.176 1.00 1.00 C ATOM 508 O LYS A 35 -2.159 5.243 0.686 1.00 1.00 O ATOM 509 CB LYS A 35 0.437 6.606 0.582 1.00 1.00 C ATOM 510 CG LYS A 35 1.502 5.799 1.371 1.00 1.00 C ATOM 511 CD LYS A 35 1.025 4.388 1.752 1.00 1.00 C ATOM 512 CE LYS A 35 1.789 3.639 2.841 1.00 1.00 C ATOM 513 NZ LYS A 35 0.988 2.442 3.161 1.00 1.00 N ATOM 0 H LYS A 35 -1.760 6.998 -1.308 1.00 1.00 H new ATOM 0 HA LYS A 35 0.636 5.303 -0.986 1.00 1.00 H new ATOM 0 HB2 LYS A 35 0.904 7.511 0.193 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -0.343 6.922 1.274 1.00 1.00 H new ATOM 0 HG2 LYS A 35 2.409 5.720 0.771 1.00 1.00 H new ATOM 0 HG3 LYS A 35 1.766 6.345 2.277 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -0.016 4.462 2.066 1.00 1.00 H new ATOM 0 HD3 LYS A 35 1.043 3.775 0.851 1.00 1.00 H new ATOM 0 HE2 LYS A 35 2.784 3.360 2.495 1.00 1.00 H new ATOM 0 HE3 LYS A 35 1.922 4.265 3.723 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 1.602 1.716 3.581 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 0.239 2.696 3.837 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 0.557 2.070 2.291 1.00 1.00 H new ATOM 527 N CYS A 36 -1.403 3.801 -0.854 1.00 1.00 N ATOM 528 CA CYS A 36 -2.228 2.674 -0.499 1.00 1.00 C ATOM 529 C CYS A 36 -1.671 1.910 0.698 1.00 1.00 C ATOM 530 O CYS A 36 -0.482 1.591 0.800 1.00 1.00 O ATOM 531 CB CYS A 36 -2.398 1.759 -1.722 1.00 1.00 C ATOM 532 SG CYS A 36 -3.553 0.376 -1.521 1.00 1.00 S ATOM 0 H CYS A 36 -0.850 3.638 -1.695 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.206 3.046 -0.194 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -2.732 2.367 -2.563 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -1.421 1.356 -1.988 1.00 1.00 H new ATOM 537 N TYR A 37 -2.533 1.630 1.676 1.00 1.00 N ATOM 538 CA TYR A 37 -2.279 0.906 2.893 1.00 1.00 C ATOM 539 C TYR A 37 -3.017 -0.412 2.852 1.00 1.00 C ATOM 540 O TYR A 37 -4.089 -0.469 3.445 1.00 1.00 O ATOM 541 CB TYR A 37 -2.869 1.701 4.100 1.00 1.00 C ATOM 542 CG TYR A 37 -2.073 2.914 4.487 1.00 1.00 C ATOM 543 CD1 TYR A 37 -2.124 4.082 3.719 1.00 1.00 C ATOM 544 CD2 TYR A 37 -1.325 2.915 5.677 1.00 1.00 C ATOM 545 CE1 TYR A 37 -1.386 5.208 4.097 1.00 1.00 C ATOM 546 CE2 TYR A 37 -0.596 4.048 6.064 1.00 1.00 C ATOM 547 CZ TYR A 37 -0.619 5.193 5.261 1.00 1.00 C ATOM 548 OH TYR A 37 0.125 6.335 5.601 1.00 1.00 O ATOM 0 H TYR A 37 -3.504 1.936 1.619 1.00 1.00 H new ATOM 0 HA TYR A 37 -1.204 0.761 2.996 1.00 1.00 H new ATOM 0 HB2 TYR A 37 -3.885 2.010 3.855 1.00 1.00 H new ATOM 0 HB3 TYR A 37 -2.937 1.035 4.960 1.00 1.00 H new ATOM 0 HD1 TYR A 37 -2.736 4.114 2.830 1.00 1.00 H new ATOM 0 HD2 TYR A 37 -1.312 2.033 6.300 1.00 1.00 H new ATOM 0 HE1 TYR A 37 -1.410 6.096 3.483 1.00 1.00 H new ATOM 0 HE2 TYR A 37 -0.020 4.037 6.977 1.00 1.00 H new ATOM 0 HH TYR A 37 0.607 6.174 6.439 1.00 1.00 H new ATOM 558 N PRO A 38 -2.562 -1.505 2.245 1.00 1.00 N ATOM 559 CA PRO A 38 -2.974 -2.844 2.663 1.00 1.00 C ATOM 560 C PRO A 38 -2.265 -3.199 3.959 1.00 1.00 C ATOM 561 O PRO A 38 -1.313 -3.976 3.971 1.00 1.00 O ATOM 562 CB PRO A 38 -2.528 -3.704 1.470 1.00 1.00 C ATOM 563 CG PRO A 38 -1.250 -3.022 0.960 1.00 1.00 C ATOM 564 CD PRO A 38 -1.489 -1.539 1.254 1.00 1.00 C ATOM 0 HA PRO A 38 -4.035 -2.969 2.877 1.00 1.00 H new ATOM 0 HB2 PRO A 38 -2.335 -4.733 1.773 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -3.295 -3.738 0.697 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -0.364 -3.395 1.475 1.00 1.00 H new ATOM 0 HG3 PRO A 38 -1.099 -3.200 -0.105 1.00 1.00 H new ATOM 0 HD2 PRO A 38 -0.586 -1.064 1.637 1.00 1.00 H new ATOM 0 HD3 PRO A 38 -1.773 -1.001 0.350 1.00 1.00 H new