USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 533 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: 1 68 ASN : amide:sc= -3.46! K(o=-15!,f=-10) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -11.2! C(o=-15!,f=-10!) USER MOD Single : 1 7 ASN : amide:sc= -2.03 K(o=-2,f=-0.63) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN : amide:sc= -4.85! K(o=-4.8!,f=-1.9) USER MOD Single : 1 33 THR OG1 : rot 166:sc= -1.09 USER MOD Single : 1 35 LYS NZ :NH3+ 171:sc= 0.889 (180deg=0.844) USER MOD Single : 1 37 THR OG1 : rot 150:sc= -1.24 USER MOD Single : 1 40 SER OG : rot -163:sc= 0.225 USER MOD Single : 1 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 43 ASN : amide:sc= -2.18 K(o=-2.2,f=-6.9!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 160:sc= 0.216 (180deg=0.118) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 74:sc= 0.999 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot -160:sc= -2.51 USER MOD Single : 1 75 LYS NZ :NH3+ -140:sc= -0.153 (180deg=-0.543) USER MOD Single : 1 76 SER OG : rot 33:sc= 1.18 USER MOD Single : 1 77 SER OG : rot -34:sc= 1.17 USER MOD Single : 1 82 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 15.395 1.416 -8.446 1.00 0.00 N ATOM 29 CA PRO 1 3 14.363 1.928 -7.536 1.00 0.00 C ATOM 30 C PRO 1 3 14.573 3.396 -7.182 1.00 0.00 C ATOM 31 O PRO 1 3 14.978 3.729 -6.069 1.00 0.00 O ATOM 32 CB PRO 1 3 14.515 1.057 -6.289 1.00 0.00 C ATOM 33 CG PRO 1 3 15.906 0.525 -6.354 1.00 0.00 C ATOM 34 CD PRO 1 3 16.222 0.374 -7.813 1.00 0.00 C ATOM 0 HA PRO 1 3 13.372 1.881 -7.987 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 14.357 1.638 -5.381 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 13.784 0.249 -6.281 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 16.607 1.206 -5.871 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 15.983 -0.431 -5.837 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.283 0.525 -8.013 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 15.967 -0.620 -8.179 1.00 0.00 H new ATOM 42 N VAL 1 4 14.298 4.265 -8.142 1.00 0.00 N ATOM 43 CA VAL 1 4 14.453 5.700 -7.951 1.00 0.00 C ATOM 44 C VAL 1 4 13.130 6.427 -8.146 1.00 0.00 C ATOM 45 O VAL 1 4 12.272 5.975 -8.904 1.00 0.00 O ATOM 46 CB VAL 1 4 15.497 6.286 -8.919 1.00 0.00 C ATOM 47 CG1 VAL 1 4 15.794 7.737 -8.571 1.00 0.00 C ATOM 48 CG2 VAL 1 4 16.770 5.454 -8.898 1.00 0.00 C ATOM 0 H VAL 1 4 13.964 3.999 -9.068 1.00 0.00 H new ATOM 0 HA VAL 1 4 14.796 5.847 -6.927 1.00 0.00 H new ATOM 0 HB VAL 1 4 15.087 6.256 -9.928 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.534 8.134 -9.266 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 14.878 8.323 -8.643 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.183 7.795 -7.555 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 17.496 5.883 -9.588 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 17.185 5.450 -7.890 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 16.542 4.432 -9.201 1.00 0.00 H new ATOM 58 N CYS 1 5 12.974 7.564 -7.477 1.00 0.00 N ATOM 59 CA CYS 1 5 11.756 8.348 -7.609 1.00 0.00 C ATOM 60 C CYS 1 5 11.834 9.128 -8.908 1.00 0.00 C ATOM 61 O CYS 1 5 12.292 10.269 -8.953 1.00 0.00 O ATOM 62 CB CYS 1 5 11.586 9.298 -6.423 1.00 0.00 C ATOM 63 SG CYS 1 5 9.855 9.553 -5.918 1.00 0.00 S ATOM 0 H CYS 1 5 13.670 7.959 -6.844 1.00 0.00 H new ATOM 0 HA CYS 1 5 10.891 7.685 -7.620 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.147 8.907 -5.574 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 12.025 10.263 -6.678 1.00 0.00 H new ATOM 68 N GLY 1 6 11.418 8.454 -9.968 1.00 0.00 N ATOM 69 CA GLY 1 6 11.466 9.012 -11.298 1.00 0.00 C ATOM 70 C GLY 1 6 11.974 7.974 -12.281 1.00 0.00 C ATOM 71 O GLY 1 6 12.590 8.301 -13.295 1.00 0.00 O ATOM 0 H GLY 1 6 11.040 7.508 -9.925 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.473 9.350 -11.595 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.117 9.886 -11.311 1.00 0.00 H new ATOM 75 N ASN 1 7 11.705 6.710 -11.954 1.00 0.00 N ATOM 76 CA ASN 1 7 12.111 5.575 -12.766 1.00 0.00 C ATOM 77 C ASN 1 7 10.900 4.698 -13.047 1.00 0.00 C ATOM 78 O ASN 1 7 11.028 3.572 -13.529 1.00 0.00 O ATOM 79 CB ASN 1 7 13.178 4.758 -12.025 1.00 0.00 C ATOM 80 CG ASN 1 7 14.588 5.160 -12.412 1.00 0.00 C ATOM 81 OD1 ASN 1 7 15.377 4.333 -12.868 1.00 0.00 O ATOM 82 ND2 ASN 1 7 14.912 6.435 -12.232 1.00 0.00 N ATOM 0 H ASN 1 7 11.195 6.449 -11.110 1.00 0.00 H new ATOM 0 HA ASN 1 7 12.528 5.935 -13.707 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 13.049 4.887 -10.950 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 13.034 3.699 -12.239 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 15.847 6.763 -12.475 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 14.226 7.087 -11.851 1.00 0.00 H new ATOM 89 N LYS 1 8 9.725 5.220 -12.701 1.00 0.00 N ATOM 90 CA LYS 1 8 8.472 4.507 -12.863 1.00 0.00 C ATOM 91 C LYS 1 8 8.318 3.479 -11.748 1.00 0.00 C ATOM 92 O LYS 1 8 7.412 2.646 -11.765 1.00 0.00 O ATOM 93 CB LYS 1 8 8.368 3.847 -14.243 1.00 0.00 C ATOM 94 CG LYS 1 8 7.280 4.451 -15.117 1.00 0.00 C ATOM 95 CD LYS 1 8 7.574 4.246 -16.594 1.00 0.00 C ATOM 96 CE LYS 1 8 6.806 3.061 -17.156 1.00 0.00 C ATOM 97 NZ LYS 1 8 7.643 1.831 -17.211 1.00 0.00 N ATOM 0 H LYS 1 8 9.621 6.152 -12.300 1.00 0.00 H new ATOM 0 HA LYS 1 8 7.656 5.227 -12.796 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 9.327 3.936 -14.754 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 8.173 2.782 -14.115 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 6.320 3.998 -14.870 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 7.193 5.517 -14.907 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 7.310 5.147 -17.147 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 8.643 4.088 -16.735 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 5.926 2.874 -16.540 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 6.449 3.302 -18.157 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 7.082 1.046 -17.600 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 8.470 2.000 -17.819 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 7.963 1.586 -16.252 1.00 0.00 H new ATOM 111 N ILE 1 9 9.207 3.579 -10.763 1.00 0.00 N ATOM 112 CA ILE 1 9 9.194 2.711 -9.606 1.00 0.00 C ATOM 113 C ILE 1 9 8.980 3.559 -8.365 1.00 0.00 C ATOM 114 O ILE 1 9 9.363 4.728 -8.331 1.00 0.00 O ATOM 115 CB ILE 1 9 10.515 1.923 -9.459 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.716 0.984 -10.650 1.00 0.00 C ATOM 117 CG2 ILE 1 9 10.530 1.137 -8.154 1.00 0.00 C ATOM 118 CD1 ILE 1 9 11.872 1.380 -11.542 1.00 0.00 C ATOM 0 H ILE 1 9 9.957 4.270 -10.752 1.00 0.00 H new ATOM 0 HA ILE 1 9 8.388 1.988 -9.732 1.00 0.00 H new ATOM 0 HB ILE 1 9 11.338 2.638 -9.439 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 10.882 -0.028 -10.281 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 9.801 0.961 -11.243 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 11.469 0.589 -8.070 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.435 1.825 -7.314 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.697 0.434 -8.143 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 11.956 0.671 -12.365 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 11.698 2.380 -11.940 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 12.796 1.376 -10.964 1.00 0.00 H new ATOM 130 N LEU 1 10 8.375 2.975 -7.352 1.00 0.00 N ATOM 131 CA LEU 1 10 8.123 3.697 -6.116 1.00 0.00 C ATOM 132 C LEU 1 10 9.402 3.782 -5.302 1.00 0.00 C ATOM 133 O LEU 1 10 9.477 3.260 -4.193 1.00 0.00 O ATOM 134 CB LEU 1 10 7.017 3.019 -5.305 1.00 0.00 C ATOM 135 CG LEU 1 10 6.924 1.503 -5.471 1.00 0.00 C ATOM 136 CD1 LEU 1 10 6.449 0.859 -4.181 1.00 0.00 C ATOM 137 CD2 LEU 1 10 5.997 1.154 -6.628 1.00 0.00 C ATOM 0 H LEU 1 10 8.049 2.008 -7.356 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.789 4.705 -6.362 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 7.172 3.244 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 6.060 3.459 -5.587 1.00 0.00 H new ATOM 0 HG LEU 1 10 7.916 1.113 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 6.388 -0.221 -4.315 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 7.153 1.086 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 5.465 1.249 -3.921 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 5.940 0.071 -6.735 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 5.002 1.552 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 6.385 1.589 -7.549 1.00 0.00 H new ATOM 149 N GLU 1 11 10.410 4.437 -5.878 1.00 0.00 N ATOM 150 CA GLU 1 11 11.715 4.600 -5.233 1.00 0.00 C ATOM 151 C GLU 1 11 11.963 3.515 -4.191 1.00 0.00 C ATOM 152 O GLU 1 11 11.889 3.765 -2.988 1.00 0.00 O ATOM 153 CB GLU 1 11 11.813 5.974 -4.581 1.00 0.00 C ATOM 154 CG GLU 1 11 13.170 6.244 -3.956 1.00 0.00 C ATOM 155 CD GLU 1 11 13.477 7.724 -3.841 1.00 0.00 C ATOM 156 OE1 GLU 1 11 12.901 8.382 -2.949 1.00 0.00 O ATOM 157 OE2 GLU 1 11 14.294 8.225 -4.641 1.00 0.00 O ATOM 0 H GLU 1 11 10.347 4.868 -6.800 1.00 0.00 H new ATOM 0 HA GLU 1 11 12.479 4.509 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.606 6.739 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.043 6.061 -3.814 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 13.205 5.792 -2.965 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 13.943 5.762 -4.554 1.00 0.00 H new ATOM 164 N GLN 1 12 12.243 2.306 -4.665 1.00 0.00 N ATOM 165 CA GLN 1 12 12.487 1.164 -3.771 1.00 0.00 C ATOM 166 C GLN 1 12 11.474 1.117 -2.623 1.00 0.00 C ATOM 167 O GLN 1 12 11.845 1.197 -1.451 1.00 0.00 O ATOM 168 CB GLN 1 12 13.911 1.198 -3.194 1.00 0.00 C ATOM 169 CG GLN 1 12 14.498 2.595 -3.059 1.00 0.00 C ATOM 170 CD GLN 1 12 15.957 2.577 -2.649 1.00 0.00 C ATOM 171 OE1 GLN 1 12 16.591 1.522 -2.614 1.00 0.00 O ATOM 172 NE2 GLN 1 12 16.499 3.748 -2.336 1.00 0.00 N ATOM 0 H GLN 1 12 12.308 2.085 -5.659 1.00 0.00 H new ATOM 0 HA GLN 1 12 12.371 0.265 -4.376 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.905 0.723 -2.213 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 14.564 0.602 -3.832 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 14.398 3.121 -4.009 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 13.924 3.157 -2.322 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 15.937 4.598 -2.379 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 17.478 3.798 -2.053 1.00 0.00 H new ATOM 181 N GLY 1 13 10.197 0.974 -2.964 1.00 0.00 N ATOM 182 CA GLY 1 13 9.159 0.904 -1.948 1.00 0.00 C ATOM 183 C GLY 1 13 8.990 2.201 -1.176 1.00 0.00 C ATOM 184 O GLY 1 13 9.143 2.229 0.045 1.00 0.00 O ATOM 0 H GLY 1 13 9.861 0.905 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 8.212 0.645 -2.422 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 9.396 0.101 -1.250 1.00 0.00 H new ATOM 188 N GLU 1 14 8.668 3.274 -1.889 1.00 0.00 N ATOM 189 CA GLU 1 14 8.469 4.581 -1.268 1.00 0.00 C ATOM 190 C GLU 1 14 6.988 4.850 -1.010 1.00 0.00 C ATOM 191 O GLU 1 14 6.639 5.678 -0.169 1.00 0.00 O ATOM 192 CB GLU 1 14 9.054 5.684 -2.152 1.00 0.00 C ATOM 193 CG GLU 1 14 10.238 6.398 -1.524 1.00 0.00 C ATOM 194 CD GLU 1 14 9.938 6.915 -0.130 1.00 0.00 C ATOM 195 OE1 GLU 1 14 9.215 7.926 -0.015 1.00 0.00 O ATOM 196 OE2 GLU 1 14 10.426 6.307 0.846 1.00 0.00 O ATOM 0 H GLU 1 14 8.539 3.266 -2.901 1.00 0.00 H new ATOM 0 HA GLU 1 14 8.988 4.578 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 9.364 5.251 -3.103 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.275 6.414 -2.373 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 11.086 5.715 -1.479 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.533 7.232 -2.161 1.00 0.00 H new ATOM 203 N ASP 1 15 6.126 4.148 -1.749 1.00 0.00 N ATOM 204 CA ASP 1 15 4.672 4.292 -1.630 1.00 0.00 C ATOM 205 C ASP 1 15 4.147 5.324 -2.620 1.00 0.00 C ATOM 206 O ASP 1 15 3.077 5.901 -2.425 1.00 0.00 O ATOM 207 CB ASP 1 15 4.260 4.676 -0.204 1.00 0.00 C ATOM 208 CG ASP 1 15 2.861 4.204 0.140 1.00 0.00 C ATOM 209 OD1 ASP 1 15 1.907 4.623 -0.548 1.00 0.00 O ATOM 210 OD2 ASP 1 15 2.720 3.415 1.098 1.00 0.00 O ATOM 0 H ASP 1 15 6.416 3.463 -2.447 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.230 3.323 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 4.969 4.248 0.504 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 4.313 5.759 -0.093 1.00 0.00 H new ATOM 215 N CYS 1 16 4.901 5.536 -3.692 1.00 0.00 N ATOM 216 CA CYS 1 16 4.513 6.481 -4.729 1.00 0.00 C ATOM 217 C CYS 1 16 5.467 6.406 -5.910 1.00 0.00 C ATOM 218 O CYS 1 16 6.528 7.031 -5.906 1.00 0.00 O ATOM 219 CB CYS 1 16 4.486 7.899 -4.187 1.00 0.00 C ATOM 220 SG CYS 1 16 3.912 9.128 -5.398 1.00 0.00 S ATOM 0 H CYS 1 16 5.788 5.063 -3.865 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.511 6.212 -5.063 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.837 7.933 -3.312 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 5.487 8.171 -3.852 1.00 0.00 H new ATOM 225 N ASP 1 17 5.087 5.634 -6.914 1.00 0.00 N ATOM 226 CA ASP 1 17 5.910 5.468 -8.099 1.00 0.00 C ATOM 227 C ASP 1 17 5.392 6.316 -9.256 1.00 0.00 C ATOM 228 O ASP 1 17 4.242 6.183 -9.674 1.00 0.00 O ATOM 229 CB ASP 1 17 5.949 3.991 -8.493 1.00 0.00 C ATOM 230 CG ASP 1 17 4.633 3.504 -9.071 1.00 0.00 C ATOM 231 OD1 ASP 1 17 3.731 3.155 -8.281 1.00 0.00 O ATOM 232 OD2 ASP 1 17 4.505 3.472 -10.313 1.00 0.00 O ATOM 0 H ASP 1 17 4.211 5.111 -6.932 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.920 5.807 -7.869 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 6.742 3.835 -9.224 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 6.200 3.392 -7.618 1.00 0.00 H new ATOM 237 N CYS 1 18 6.256 7.182 -9.768 1.00 0.00 N ATOM 238 CA CYS 1 18 5.903 8.054 -10.880 1.00 0.00 C ATOM 239 C CYS 1 18 7.142 8.387 -11.706 1.00 0.00 C ATOM 240 O CYS 1 18 8.151 8.844 -11.170 1.00 0.00 O ATOM 241 CB CYS 1 18 5.260 9.340 -10.356 1.00 0.00 C ATOM 242 SG CYS 1 18 3.500 9.173 -9.918 1.00 0.00 S ATOM 0 H CYS 1 18 7.211 7.300 -9.429 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.187 7.535 -11.517 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.811 9.676 -9.477 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 5.362 10.118 -11.113 1.00 0.00 H new ATOM 247 N GLY 1 19 7.062 8.154 -13.013 1.00 0.00 N ATOM 248 CA GLY 1 19 8.188 8.434 -13.889 1.00 0.00 C ATOM 249 C GLY 1 19 8.718 9.844 -13.717 1.00 0.00 C ATOM 250 O GLY 1 19 9.922 10.050 -13.570 1.00 0.00 O ATOM 0 H GLY 1 19 6.238 7.777 -13.482 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.988 7.721 -13.687 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.884 8.287 -14.925 1.00 0.00 H new ATOM 254 N SER 1 20 7.813 10.813 -13.733 1.00 0.00 N ATOM 255 CA SER 1 20 8.186 12.214 -13.572 1.00 0.00 C ATOM 256 C SER 1 20 7.189 12.934 -12.667 1.00 0.00 C ATOM 257 O SER 1 20 5.980 12.801 -12.843 1.00 0.00 O ATOM 258 CB SER 1 20 8.251 12.907 -14.934 1.00 0.00 C ATOM 259 OG SER 1 20 9.561 12.856 -15.471 1.00 0.00 O ATOM 0 H SER 1 20 6.813 10.655 -13.856 1.00 0.00 H new ATOM 0 HA SER 1 20 9.171 12.255 -13.108 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.554 12.429 -15.622 1.00 0.00 H new ATOM 0 HB3 SER 1 20 7.937 13.946 -14.832 1.00 0.00 H new ATOM 0 HG SER 1 20 9.575 13.304 -16.342 1.00 0.00 H new ATOM 265 N PRO 1 21 7.676 13.713 -11.683 1.00 0.00 N ATOM 266 CA PRO 1 21 6.808 14.450 -10.761 1.00 0.00 C ATOM 267 C PRO 1 21 5.752 15.267 -11.499 1.00 0.00 C ATOM 268 O PRO 1 21 4.676 15.537 -10.966 1.00 0.00 O ATOM 269 CB PRO 1 21 7.769 15.372 -9.994 1.00 0.00 C ATOM 270 CG PRO 1 21 9.078 15.280 -10.707 1.00 0.00 C ATOM 271 CD PRO 1 21 9.095 13.943 -11.390 1.00 0.00 C ATOM 0 HA PRO 1 21 6.250 13.778 -10.109 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.401 16.398 -9.983 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.867 15.057 -8.955 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.183 16.088 -11.431 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 9.909 15.369 -10.007 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.698 13.959 -12.298 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.507 13.165 -10.747 1.00 0.00 H new ATOM 279 N ALA 1 22 6.064 15.650 -12.734 1.00 0.00 N ATOM 280 CA ALA 1 22 5.140 16.425 -13.550 1.00 0.00 C ATOM 281 C ALA 1 22 4.161 15.505 -14.271 1.00 0.00 C ATOM 282 O ALA 1 22 3.016 15.875 -14.528 1.00 0.00 O ATOM 283 CB ALA 1 22 5.904 17.278 -14.551 1.00 0.00 C ATOM 0 H ALA 1 22 6.951 15.435 -13.190 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.572 17.085 -12.895 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.199 17.851 -15.153 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.565 17.961 -14.017 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.496 16.634 -15.201 1.00 0.00 H new ATOM 289 N ASN 1 23 4.622 14.297 -14.582 1.00 0.00 N ATOM 290 CA ASN 1 23 3.792 13.309 -15.260 1.00 0.00 C ATOM 291 C ASN 1 23 3.394 12.195 -14.296 1.00 0.00 C ATOM 292 O ASN 1 23 3.031 11.096 -14.714 1.00 0.00 O ATOM 293 CB ASN 1 23 4.536 12.722 -16.461 1.00 0.00 C ATOM 294 CG ASN 1 23 4.534 13.656 -17.655 1.00 0.00 C ATOM 295 OD1 ASN 1 23 3.572 13.701 -18.421 1.00 0.00 O ATOM 296 ND2 ASN 1 23 5.616 14.408 -17.819 1.00 0.00 N ATOM 0 H ASN 1 23 5.569 13.979 -14.374 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.888 13.805 -15.615 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.565 12.503 -16.176 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.075 11.775 -16.743 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 5.673 15.056 -18.605 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 6.391 14.338 -17.159 1.00 0.00 H new ATOM 303 N CYS 1 24 3.472 12.491 -13.003 1.00 0.00 N ATOM 304 CA CYS 1 24 3.131 11.532 -11.969 1.00 0.00 C ATOM 305 C CYS 1 24 1.688 11.083 -12.110 1.00 0.00 C ATOM 306 O CYS 1 24 0.779 11.678 -11.532 1.00 0.00 O ATOM 307 CB CYS 1 24 3.362 12.140 -10.587 1.00 0.00 C ATOM 308 SG CYS 1 24 3.003 11.009 -9.202 1.00 0.00 S ATOM 0 H CYS 1 24 3.772 13.399 -12.648 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.776 10.660 -12.082 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.399 12.466 -10.515 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.740 13.029 -10.485 1.00 0.00 H new ATOM 313 N GLN 1 25 1.489 10.032 -12.890 1.00 0.00 N ATOM 314 CA GLN 1 25 0.156 9.486 -13.128 1.00 0.00 C ATOM 315 C GLN 1 25 -0.412 8.821 -11.872 1.00 0.00 C ATOM 316 O GLN 1 25 -0.867 7.677 -11.916 1.00 0.00 O ATOM 317 CB GLN 1 25 0.196 8.479 -14.279 1.00 0.00 C ATOM 318 CG GLN 1 25 1.053 7.257 -13.988 1.00 0.00 C ATOM 319 CD GLN 1 25 1.524 6.562 -15.250 1.00 0.00 C ATOM 320 OE1 GLN 1 25 0.821 5.721 -15.809 1.00 0.00 O ATOM 321 NE2 GLN 1 25 2.722 6.911 -15.706 1.00 0.00 N ATOM 0 H GLN 1 25 2.237 9.535 -13.373 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.499 10.315 -13.395 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -0.820 8.155 -14.503 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 0.576 8.975 -15.172 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.919 7.557 -13.398 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.482 6.554 -13.382 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 3.271 7.613 -15.211 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 3.092 6.477 -16.551 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.392 9.547 -10.758 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.913 9.037 -9.496 1.00 0.00 C ATOM 332 C ASP 1 26 -1.610 10.153 -8.725 1.00 0.00 C ATOM 333 O ASP 1 26 -0.966 10.932 -8.021 1.00 0.00 O ATOM 334 CB ASP 1 26 0.216 8.441 -8.654 1.00 0.00 C ATOM 335 CG ASP 1 26 0.628 7.063 -9.132 1.00 0.00 C ATOM 336 OD1 ASP 1 26 1.066 6.945 -10.296 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.513 6.102 -8.343 1.00 0.00 O ATOM 0 H ASP 1 26 -0.018 10.495 -10.705 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.638 8.252 -9.712 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 1.079 9.106 -8.685 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.103 8.381 -7.613 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.927 10.231 -8.872 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.715 11.259 -8.201 1.00 0.00 C ATOM 344 C ARG 1 27 -3.655 11.109 -6.683 1.00 0.00 C ATOM 345 O ARG 1 27 -3.862 12.076 -5.949 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.169 11.200 -8.672 1.00 0.00 C ATOM 347 CG ARG 1 27 -6.021 12.352 -8.164 1.00 0.00 C ATOM 348 CD ARG 1 27 -6.120 13.466 -9.192 1.00 0.00 C ATOM 349 NE ARG 1 27 -6.110 14.788 -8.570 1.00 0.00 N ATOM 350 CZ ARG 1 27 -5.837 15.914 -9.226 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -5.551 15.883 -10.522 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -5.849 17.074 -8.584 1.00 0.00 N ATOM 0 H ARG 1 27 -3.473 9.593 -9.451 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.288 12.227 -8.462 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.189 11.197 -9.762 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.611 10.260 -8.343 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -7.020 11.988 -7.922 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.593 12.744 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -5.288 13.388 -9.892 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.036 13.345 -9.771 1.00 0.00 H new ATOM 0 HE ARG 1 27 -6.325 14.852 -7.575 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -5.540 14.993 -11.021 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -5.343 16.749 -11.019 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -6.067 17.103 -7.588 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -5.640 17.937 -9.086 1.00 0.00 H new ATOM 366 N CYS 1 28 -3.379 9.896 -6.215 1.00 0.00 N ATOM 367 CA CYS 1 28 -3.303 9.636 -4.783 1.00 0.00 C ATOM 368 C CYS 1 28 -1.860 9.411 -4.334 1.00 0.00 C ATOM 369 O CYS 1 28 -1.609 8.740 -3.333 1.00 0.00 O ATOM 370 CB CYS 1 28 -4.167 8.425 -4.421 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.955 8.708 -4.636 1.00 0.00 S ATOM 0 H CYS 1 28 -3.205 9.081 -6.804 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.682 10.514 -4.260 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.866 7.578 -5.037 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -3.974 8.149 -3.384 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.915 9.983 -5.076 1.00 0.00 N ATOM 377 CA CYS 1 29 0.501 9.849 -4.748 1.00 0.00 C ATOM 378 C CYS 1 29 1.331 10.884 -5.508 1.00 0.00 C ATOM 379 O CYS 1 29 1.145 11.086 -6.708 1.00 0.00 O ATOM 380 CB CYS 1 29 0.977 8.413 -5.040 1.00 0.00 C ATOM 381 SG CYS 1 29 2.308 8.253 -6.282 1.00 0.00 S ATOM 0 H CYS 1 29 -1.104 10.543 -5.907 1.00 0.00 H new ATOM 0 HA CYS 1 29 0.639 10.040 -3.684 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.322 7.968 -4.107 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 0.121 7.828 -5.375 1.00 0.00 H new ATOM 386 N ASN 1 30 2.247 11.537 -4.795 1.00 0.00 N ATOM 387 CA ASN 1 30 3.108 12.553 -5.394 1.00 0.00 C ATOM 388 C ASN 1 30 4.552 12.057 -5.490 1.00 0.00 C ATOM 389 O ASN 1 30 5.138 11.620 -4.494 1.00 0.00 O ATOM 390 CB ASN 1 30 3.037 13.845 -4.572 1.00 0.00 C ATOM 391 CG ASN 1 30 4.109 14.850 -4.953 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.296 15.162 -6.129 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.819 15.361 -3.953 1.00 0.00 N ATOM 0 H ASN 1 30 2.412 11.380 -3.801 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.756 12.756 -6.405 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.056 14.301 -4.705 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.134 13.602 -3.514 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 5.554 16.041 -4.145 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.629 15.073 -2.993 1.00 0.00 H new ATOM 400 N ALA 1 31 5.115 12.117 -6.699 1.00 0.00 N ATOM 401 CA ALA 1 31 6.485 11.670 -6.933 1.00 0.00 C ATOM 402 C ALA 1 31 7.485 12.575 -6.221 1.00 0.00 C ATOM 403 O ALA 1 31 8.487 12.107 -5.682 1.00 0.00 O ATOM 404 CB ALA 1 31 6.777 11.638 -8.426 1.00 0.00 C ATOM 0 H ALA 1 31 4.641 12.471 -7.530 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.589 10.664 -6.527 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 7.801 11.303 -8.589 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.088 10.951 -8.917 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.651 12.637 -8.843 1.00 0.00 H new ATOM 410 N ALA 1 32 7.204 13.875 -6.226 1.00 0.00 N ATOM 411 CA ALA 1 32 8.076 14.853 -5.581 1.00 0.00 C ATOM 412 C ALA 1 32 8.333 14.494 -4.119 1.00 0.00 C ATOM 413 O ALA 1 32 9.310 14.948 -3.523 1.00 0.00 O ATOM 414 CB ALA 1 32 7.473 16.246 -5.689 1.00 0.00 C ATOM 0 H ALA 1 32 6.378 14.276 -6.670 1.00 0.00 H new ATOM 0 HA ALA 1 32 9.035 14.841 -6.098 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.132 16.966 -5.205 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.355 16.511 -6.740 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.499 16.260 -5.200 1.00 0.00 H new ATOM 420 N THR 1 33 7.458 13.671 -3.549 1.00 0.00 N ATOM 421 CA THR 1 33 7.596 13.247 -2.162 1.00 0.00 C ATOM 422 C THR 1 33 7.800 11.743 -2.085 1.00 0.00 C ATOM 423 O THR 1 33 8.292 11.221 -1.084 1.00 0.00 O ATOM 424 CB THR 1 33 6.351 13.626 -1.358 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.534 13.334 0.016 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.100 12.905 -1.818 1.00 0.00 C ATOM 0 H THR 1 33 6.645 13.284 -4.028 1.00 0.00 H new ATOM 0 HA THR 1 33 8.465 13.753 -1.740 1.00 0.00 H new ATOM 0 HB THR 1 33 6.216 14.695 -1.520 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.837 13.780 0.541 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.254 13.219 -1.207 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.903 13.148 -2.862 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.242 11.829 -1.716 1.00 0.00 H new ATOM 434 N CYS 1 34 7.393 11.046 -3.140 1.00 0.00 N ATOM 435 CA CYS 1 34 7.505 9.603 -3.182 1.00 0.00 C ATOM 436 C CYS 1 34 6.655 9.002 -2.074 1.00 0.00 C ATOM 437 O CYS 1 34 7.103 8.141 -1.318 1.00 0.00 O ATOM 438 CB CYS 1 34 8.965 9.170 -3.044 1.00 0.00 C ATOM 439 SG CYS 1 34 9.574 8.183 -4.448 1.00 0.00 S ATOM 0 H CYS 1 34 6.983 11.463 -3.976 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.144 9.242 -4.145 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.589 10.057 -2.938 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.077 8.590 -2.128 1.00 0.00 H new ATOM 444 N LYS 1 35 5.418 9.481 -1.986 1.00 0.00 N ATOM 445 CA LYS 1 35 4.490 9.011 -0.968 1.00 0.00 C ATOM 446 C LYS 1 35 3.043 9.263 -1.391 1.00 0.00 C ATOM 447 O LYS 1 35 2.780 9.703 -2.510 1.00 0.00 O ATOM 448 CB LYS 1 35 4.789 9.706 0.368 1.00 0.00 C ATOM 449 CG LYS 1 35 4.216 11.114 0.488 1.00 0.00 C ATOM 450 CD LYS 1 35 3.236 11.222 1.646 1.00 0.00 C ATOM 451 CE LYS 1 35 2.648 12.620 1.748 1.00 0.00 C ATOM 452 NZ LYS 1 35 1.388 12.636 2.543 1.00 0.00 N ATOM 0 H LYS 1 35 5.037 10.194 -2.608 1.00 0.00 H new ATOM 0 HA LYS 1 35 4.621 7.936 -0.847 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 4.392 9.095 1.178 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 5.869 9.754 0.505 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 5.028 11.827 0.630 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 3.714 11.384 -0.441 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 2.433 10.497 1.514 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 3.743 10.970 2.578 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 3.376 13.287 2.209 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 2.451 13.005 0.747 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 1.101 13.620 2.719 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 0.638 12.145 2.015 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 1.544 12.154 3.451 1.00 0.00 H new ATOM 466 N LEU 1 36 2.111 8.985 -0.487 1.00 0.00 N ATOM 467 CA LEU 1 36 0.694 9.186 -0.763 1.00 0.00 C ATOM 468 C LEU 1 36 0.318 10.657 -0.614 1.00 0.00 C ATOM 469 O LEU 1 36 0.685 11.305 0.365 1.00 0.00 O ATOM 470 CB LEU 1 36 -0.155 8.330 0.178 1.00 0.00 C ATOM 471 CG LEU 1 36 0.283 6.867 0.295 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.478 6.480 1.754 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.734 5.950 -0.368 1.00 0.00 C ATOM 0 H LEU 1 36 2.311 8.620 0.444 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.500 8.882 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 -0.136 8.780 1.171 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -1.190 8.358 -0.164 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.237 6.754 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.789 5.437 1.815 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.245 7.114 2.199 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.460 6.611 2.294 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.406 4.915 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.702 6.069 0.118 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.824 6.209 -1.423 1.00 0.00 H new ATOM 485 N THR 1 37 -0.417 11.179 -1.591 1.00 0.00 N ATOM 486 CA THR 1 37 -0.839 12.574 -1.564 1.00 0.00 C ATOM 487 C THR 1 37 -1.721 12.850 -0.349 1.00 0.00 C ATOM 488 O THR 1 37 -2.343 11.937 0.195 1.00 0.00 O ATOM 489 CB THR 1 37 -1.594 12.925 -2.848 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.689 12.047 -3.040 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.729 12.859 -4.088 1.00 0.00 C ATOM 0 H THR 1 37 -0.732 10.658 -2.409 1.00 0.00 H new ATOM 0 HA THR 1 37 0.052 13.198 -1.494 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.930 13.953 -2.715 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -3.403 12.515 -3.521 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -1.326 13.119 -4.962 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.099 13.561 -3.992 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.336 11.849 -4.204 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.791 14.117 0.094 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.605 14.506 1.249 1.00 0.00 C ATOM 501 C PRO 1 38 -4.067 14.108 1.081 1.00 0.00 C ATOM 502 O PRO 1 38 -4.755 14.594 0.184 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.466 16.035 1.303 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.915 16.431 -0.027 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.089 15.268 -0.493 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.274 14.010 2.162 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.429 16.511 1.486 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -1.801 16.341 2.111 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -2.717 16.648 -0.733 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -1.309 17.333 0.054 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.052 15.208 -1.581 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.059 15.336 -0.142 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.534 13.217 1.950 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.911 12.763 1.881 1.00 0.00 C ATOM 515 C GLY 1 39 -6.016 11.274 1.619 1.00 0.00 C ATOM 516 O GLY 1 39 -6.989 10.633 2.017 1.00 0.00 O ATOM 0 H GLY 1 39 -3.983 12.801 2.701 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.416 13.001 2.817 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.430 13.306 1.091 1.00 0.00 H new ATOM 520 N SER 1 40 -5.011 10.721 0.947 1.00 0.00 N ATOM 521 CA SER 1 40 -4.992 9.297 0.632 1.00 0.00 C ATOM 522 C SER 1 40 -3.945 8.569 1.469 1.00 0.00 C ATOM 523 O SER 1 40 -2.871 9.106 1.740 1.00 0.00 O ATOM 524 CB SER 1 40 -4.708 9.087 -0.856 1.00 0.00 C ATOM 525 OG SER 1 40 -5.742 9.635 -1.656 1.00 0.00 O ATOM 0 H SER 1 40 -4.199 11.238 0.610 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.972 8.884 0.870 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -3.757 9.552 -1.117 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -4.609 8.021 -1.064 1.00 0.00 H new ATOM 0 HG SER 1 40 -5.690 9.260 -2.560 1.00 0.00 H new ATOM 531 N GLN 1 41 -4.266 7.346 1.877 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.353 6.545 2.685 1.00 0.00 C ATOM 533 C GLN 1 41 -2.824 5.351 1.895 1.00 0.00 C ATOM 534 O GLN 1 41 -1.716 4.876 2.140 1.00 0.00 O ATOM 535 CB GLN 1 41 -4.055 6.060 3.954 1.00 0.00 C ATOM 536 CG GLN 1 41 -4.011 7.064 5.095 1.00 0.00 C ATOM 537 CD GLN 1 41 -3.969 6.398 6.456 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.951 6.435 7.147 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -5.078 5.782 6.849 1.00 0.00 N ATOM 0 H GLN 1 41 -5.151 6.888 1.662 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.508 7.175 2.962 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -5.095 5.834 3.720 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.592 5.129 4.282 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.135 7.702 4.979 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.886 7.712 5.038 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -5.900 5.776 6.244 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -5.108 5.315 7.755 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.624 4.869 0.949 1.00 0.00 N ATOM 549 CA CYS 1 42 -3.235 3.730 0.128 1.00 0.00 C ATOM 550 C CYS 1 42 -2.943 4.156 -1.308 1.00 0.00 C ATOM 551 O CYS 1 42 -3.055 5.329 -1.663 1.00 0.00 O ATOM 552 CB CYS 1 42 -4.329 2.656 0.150 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.503 2.710 -1.250 1.00 0.00 S ATOM 0 H CYS 1 42 -4.545 5.250 0.733 1.00 0.00 H new ATOM 0 HA CYS 1 42 -2.320 3.312 0.549 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.853 1.676 0.166 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.891 2.752 1.079 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.585 3.177 -2.121 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.283 3.397 -3.528 1.00 0.00 C ATOM 560 C ASN 1 43 -1.975 2.062 -4.201 1.00 0.00 C ATOM 561 O ASN 1 43 -2.289 1.852 -5.372 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.109 4.363 -3.681 1.00 0.00 C ATOM 563 CG ASN 1 43 0.171 3.820 -3.078 1.00 0.00 C ATOM 564 OD1 ASN 1 43 0.141 2.973 -2.186 1.00 0.00 O ATOM 565 ND2 ASN 1 43 1.306 4.308 -3.565 1.00 0.00 N ATOM 0 H ASN 1 43 -2.495 2.205 -1.825 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.151 3.845 -4.012 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -0.949 4.571 -4.739 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -1.358 5.311 -3.204 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.200 3.981 -3.199 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.284 5.010 -4.305 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.375 1.159 -3.431 1.00 0.00 N ATOM 573 CA TYR 1 44 -1.033 -0.171 -3.910 1.00 0.00 C ATOM 574 C TYR 1 44 -0.908 -1.127 -2.723 1.00 0.00 C ATOM 575 O TYR 1 44 -0.316 -0.780 -1.701 1.00 0.00 O ATOM 576 CB TYR 1 44 0.269 -0.130 -4.724 1.00 0.00 C ATOM 577 CG TYR 1 44 1.502 -0.526 -3.942 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.783 -1.862 -3.691 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.377 0.434 -3.451 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.901 -2.232 -2.973 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.499 0.072 -2.733 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.757 -1.262 -2.495 1.00 0.00 C ATOM 583 OH TYR 1 44 4.874 -1.627 -1.779 1.00 0.00 O ATOM 0 H TYR 1 44 -1.114 1.331 -2.460 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.825 -0.531 -4.567 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.168 -0.794 -5.583 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.408 0.878 -5.115 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.115 -2.624 -4.064 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.177 1.479 -3.634 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.105 -3.276 -2.786 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.172 0.830 -2.359 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.371 -0.824 -1.516 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.470 -2.323 -2.857 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.407 -3.293 -1.777 1.00 0.00 C ATOM 595 C GLY 1 45 -2.776 -3.808 -1.370 1.00 0.00 C ATOM 596 O GLY 1 45 -3.800 -3.232 -1.737 1.00 0.00 O ATOM 0 H GLY 1 45 -1.967 -2.638 -3.690 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.784 -4.133 -2.085 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.923 -2.837 -0.913 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.788 -4.901 -0.612 1.00 0.00 N ATOM 601 CA GLU 1 46 -4.033 -5.513 -0.153 1.00 0.00 C ATOM 602 C GLU 1 46 -4.877 -4.537 0.664 1.00 0.00 C ATOM 603 O GLU 1 46 -6.089 -4.436 0.468 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.722 -6.750 0.694 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.941 -8.065 -0.036 1.00 0.00 C ATOM 606 CD GLU 1 46 -5.322 -8.169 -0.652 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -6.309 -8.235 0.111 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -5.417 -8.184 -1.897 1.00 0.00 O ATOM 0 H GLU 1 46 -1.945 -5.384 -0.301 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.606 -5.798 -1.035 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.686 -6.699 1.028 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.346 -6.733 1.588 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -3.190 -8.171 -0.819 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.795 -8.891 0.660 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.236 -3.837 1.591 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.932 -2.886 2.453 1.00 0.00 C ATOM 617 C CYS 1 47 -5.479 -1.700 1.665 1.00 0.00 C ATOM 618 O CYS 1 47 -6.396 -1.019 2.118 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.992 -2.386 3.552 1.00 0.00 C ATOM 620 SG CYS 1 47 -4.723 -2.405 5.219 1.00 0.00 S ATOM 0 H CYS 1 47 -3.234 -3.909 1.767 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.777 -3.409 2.901 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -3.093 -3.002 3.554 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.681 -1.369 3.315 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.906 -1.437 0.498 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.339 -0.313 -0.312 1.00 0.00 C ATOM 627 C CYS 1 48 -6.747 -0.506 -0.867 1.00 0.00 C ATOM 628 O CYS 1 48 -7.046 -1.503 -1.524 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.361 -0.084 -1.463 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.818 1.305 -2.546 1.00 0.00 S ATOM 0 H CYS 1 48 -4.145 -1.984 0.095 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.357 0.561 0.339 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.368 0.098 -1.053 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.298 -0.993 -2.061 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.598 0.483 -0.603 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.976 0.476 -1.071 1.00 0.00 C ATOM 637 C ASP 1 49 -9.503 1.906 -1.162 1.00 0.00 C ATOM 638 O ASP 1 49 -9.722 2.562 -0.144 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.857 -0.353 -0.135 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.883 -1.179 -0.886 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.553 -1.684 -1.979 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -12.016 -1.320 -0.381 1.00 0.00 O ATOM 0 H ASP 1 49 -7.349 1.309 -0.059 1.00 0.00 H new ATOM 0 HA ASP 1 49 -9.005 0.023 -2.062 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.228 -1.014 0.460 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.369 0.312 0.561 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.690 2.389 -2.388 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.179 3.747 -2.610 1.00 0.00 C ATOM 649 C GLN 1 50 -9.182 4.774 -2.074 1.00 0.00 C ATOM 650 O GLN 1 50 -9.563 5.748 -1.425 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.543 3.940 -1.943 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.716 3.602 -2.849 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.939 4.450 -2.561 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -14.150 5.489 -3.187 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.753 4.011 -1.608 1.00 0.00 N ATOM 0 H GLN 1 50 -9.510 1.861 -3.242 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.289 3.898 -3.684 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.593 3.317 -1.050 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.635 4.975 -1.615 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.419 3.741 -3.889 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -12.972 2.549 -2.728 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -14.540 3.144 -1.114 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -15.592 4.540 -1.370 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.902 4.542 -2.349 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.840 5.437 -1.895 1.00 0.00 C ATOM 666 C CYS 1 51 -6.811 5.526 -0.370 1.00 0.00 C ATOM 667 O CYS 1 51 -6.302 6.494 0.194 1.00 0.00 O ATOM 668 CB CYS 1 51 -7.009 6.831 -2.500 1.00 0.00 C ATOM 669 SG CYS 1 51 -6.788 6.886 -4.307 1.00 0.00 S ATOM 0 H CYS 1 51 -7.573 3.739 -2.886 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.890 5.022 -2.233 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -8.003 7.204 -2.254 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.291 7.507 -2.036 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.354 4.505 0.291 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.383 4.464 1.750 1.00 0.00 C ATOM 676 C ARG 1 52 -7.171 3.038 2.252 1.00 0.00 C ATOM 677 O ARG 1 52 -7.770 2.095 1.736 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.715 5.009 2.271 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.693 6.503 2.549 1.00 0.00 C ATOM 680 CD ARG 1 52 -9.605 6.867 3.710 1.00 0.00 C ATOM 681 NE ARG 1 52 -9.032 7.916 4.549 1.00 0.00 N ATOM 682 CZ ARG 1 52 -9.740 8.657 5.398 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -11.048 8.466 5.525 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -9.140 9.590 6.124 1.00 0.00 N ATOM 0 H ARG 1 52 -7.779 3.696 -0.161 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.573 5.090 2.126 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.496 4.795 1.541 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.981 4.481 3.187 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.674 6.818 2.773 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.005 7.045 1.656 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -10.569 7.198 3.324 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -9.792 5.980 4.316 1.00 0.00 H new ATOM 0 HE ARG 1 52 -8.030 8.091 4.480 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -11.515 7.748 4.970 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -11.586 9.037 6.177 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -8.135 9.740 6.032 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -9.683 10.158 6.775 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.313 2.885 3.258 1.00 0.00 N ATOM 699 CA PHE 1 53 -6.026 1.567 3.818 1.00 0.00 C ATOM 700 C PHE 1 53 -7.265 0.957 4.452 1.00 0.00 C ATOM 701 O PHE 1 53 -8.068 1.655 5.072 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.911 1.650 4.866 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.533 1.771 4.283 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.210 1.148 3.088 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.559 2.512 4.932 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.944 1.260 2.552 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.289 2.628 4.401 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.981 2.002 3.208 1.00 0.00 C ATOM 0 H PHE 1 53 -5.807 3.653 3.700 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.700 0.931 2.995 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.097 2.507 5.513 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.951 0.761 5.496 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.959 0.567 2.570 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.795 3.005 5.864 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.706 0.768 1.620 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.538 3.207 4.917 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.010 2.093 2.789 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.406 -0.353 4.305 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.538 -1.060 4.880 1.00 0.00 C ATOM 720 C LYS 1 54 -8.474 -0.986 6.398 1.00 0.00 C ATOM 721 O LYS 1 54 -7.607 -1.600 7.020 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.547 -2.520 4.422 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.393 -2.764 3.183 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.776 -3.825 2.287 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.934 -3.472 0.817 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.994 -4.687 -0.043 1.00 0.00 N ATOM 0 H LYS 1 54 -6.752 -0.945 3.794 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.458 -0.587 4.538 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.523 -2.835 4.220 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.919 -3.145 5.234 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.394 -3.075 3.480 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.501 -1.833 2.626 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.718 -3.933 2.525 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -9.247 -4.788 2.484 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.842 -2.885 0.680 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.099 -2.845 0.502 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.430 -4.445 -0.956 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -8.031 -5.047 -0.203 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.563 -5.419 0.429 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.388 -0.217 6.987 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.441 -0.038 8.436 1.00 0.00 C ATOM 742 C LYS 1 55 -9.051 -1.314 9.174 1.00 0.00 C ATOM 743 O LYS 1 55 -9.565 -2.398 8.882 1.00 0.00 O ATOM 744 CB LYS 1 55 -10.843 0.399 8.863 1.00 0.00 C ATOM 745 CG LYS 1 55 -10.965 0.683 10.351 1.00 0.00 C ATOM 746 CD LYS 1 55 -9.964 1.734 10.802 1.00 0.00 C ATOM 747 CE LYS 1 55 -10.284 2.246 12.197 1.00 0.00 C ATOM 748 NZ LYS 1 55 -11.060 3.516 12.158 1.00 0.00 N ATOM 0 H LYS 1 55 -10.107 0.296 6.477 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.722 0.738 8.699 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.121 1.294 8.307 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.556 -0.379 8.591 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.976 1.022 10.576 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.805 -0.238 10.912 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -8.960 1.310 10.790 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -9.967 2.566 10.098 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -10.852 1.490 12.740 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -9.356 2.404 12.747 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -11.258 3.832 13.129 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -10.508 4.245 11.663 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -11.957 3.360 11.655 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.133 -1.177 10.129 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.670 -2.316 10.910 1.00 0.00 C ATOM 764 C ALA 1 56 -8.837 -3.213 11.285 1.00 0.00 C ATOM 765 O ALA 1 56 -9.847 -2.748 11.813 1.00 0.00 O ATOM 766 CB ALA 1 56 -6.943 -1.858 12.161 1.00 0.00 C ATOM 0 H ALA 1 56 -7.697 -0.289 10.378 1.00 0.00 H new ATOM 0 HA ALA 1 56 -6.972 -2.883 10.295 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.608 -2.728 12.726 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.081 -1.253 11.880 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.618 -1.263 12.777 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.704 -4.492 10.985 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.771 -5.426 11.273 1.00 0.00 C ATOM 774 C GLY 1 57 -10.336 -6.035 10.008 1.00 0.00 C ATOM 775 O GLY 1 57 -11.120 -6.983 10.062 1.00 0.00 O ATOM 0 H GLY 1 57 -7.878 -4.902 10.548 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.397 -6.217 11.923 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.565 -4.915 11.818 1.00 0.00 H new ATOM 779 N THR 1 58 -9.924 -5.498 8.860 1.00 0.00 N ATOM 780 CA THR 1 58 -10.375 -6.008 7.575 1.00 0.00 C ATOM 781 C THR 1 58 -9.575 -7.249 7.191 1.00 0.00 C ATOM 782 O THR 1 58 -8.410 -7.148 6.806 1.00 0.00 O ATOM 783 CB THR 1 58 -10.216 -4.939 6.493 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.939 -3.768 6.831 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.694 -5.399 5.135 1.00 0.00 C ATOM 0 H THR 1 58 -9.279 -4.710 8.798 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.429 -6.273 7.660 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.147 -4.736 6.438 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.469 -3.288 7.544 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.555 -4.597 4.410 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -10.121 -6.273 4.824 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.751 -5.659 5.190 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.197 -8.418 7.301 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.522 -9.666 6.965 1.00 0.00 C ATOM 795 C VAL 1 59 -9.166 -9.714 5.485 1.00 0.00 C ATOM 796 O VAL 1 59 -10.042 -9.639 4.624 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.384 -10.900 7.310 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.683 -10.887 6.518 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.607 -12.186 7.057 1.00 0.00 C ATOM 0 H VAL 1 59 -11.160 -8.527 7.618 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.612 -9.695 7.564 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.634 -10.858 8.370 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.275 -11.765 6.776 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.247 -9.986 6.758 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.459 -10.901 5.451 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.232 -13.044 7.306 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.322 -12.238 6.006 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.711 -12.198 7.677 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.877 -9.847 5.193 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.418 -9.913 3.806 1.00 0.00 C ATOM 811 C CYS 1 60 -6.885 -11.302 3.468 1.00 0.00 C ATOM 812 O CYS 1 60 -6.807 -11.678 2.299 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.329 -8.870 3.531 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.382 -7.409 4.614 1.00 0.00 S ATOM 0 H CYS 1 60 -7.135 -9.911 5.890 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.280 -9.699 3.174 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.354 -9.347 3.635 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -6.414 -8.541 2.495 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.510 -12.059 4.496 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.975 -13.401 4.298 1.00 0.00 C ATOM 821 C ARG 1 61 -6.243 -14.282 5.513 1.00 0.00 C ATOM 822 O ARG 1 61 -6.872 -13.855 6.481 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.470 -13.345 4.020 1.00 0.00 C ATOM 824 CG ARG 1 61 -4.061 -12.201 3.107 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.578 -12.252 2.772 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.739 -12.148 3.964 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.478 -11.720 3.951 1.00 0.00 C ATOM 828 NH1 ARG 1 61 0.096 -11.354 2.811 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.213 -11.659 5.081 1.00 0.00 N ATOM 0 H ARG 1 61 -6.567 -11.766 5.471 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.480 -13.836 3.436 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.938 -13.251 4.967 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -4.157 -14.287 3.570 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.644 -12.243 2.187 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -4.293 -11.251 3.588 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.356 -13.185 2.254 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.334 -11.441 2.086 1.00 0.00 H new ATOM 0 HE ARG 1 61 -2.144 -12.420 4.860 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -0.429 -11.400 1.938 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 1.062 -11.027 2.808 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.221 -11.940 5.960 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 1.179 -11.331 5.071 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.755 -15.514 5.452 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.928 -16.464 6.539 1.00 0.00 C ATOM 845 C ILE 1 62 -5.185 -17.758 6.232 1.00 0.00 C ATOM 846 O ILE 1 62 -5.265 -18.289 5.124 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.419 -16.766 6.795 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -7.585 -17.927 7.783 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.122 -17.074 5.486 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -6.956 -17.669 9.134 1.00 0.00 C ATOM 0 H ILE 1 62 -5.233 -15.879 4.655 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.514 -16.013 7.441 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.876 -15.882 7.240 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -8.648 -18.128 7.919 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.143 -18.826 7.352 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.174 -17.286 5.679 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -8.041 -16.216 4.819 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.657 -17.942 5.019 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -7.113 -18.533 9.780 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -5.887 -17.498 9.011 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -7.414 -16.790 9.587 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.456 -18.250 7.221 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.681 -19.477 7.071 1.00 0.00 C ATOM 864 C ALA 1 63 -4.543 -20.626 6.554 1.00 0.00 C ATOM 865 O ALA 1 63 -4.548 -20.916 5.358 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.015 -19.846 8.388 1.00 0.00 C ATOM 0 H ALA 1 63 -4.383 -17.818 8.142 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.905 -19.295 6.328 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.440 -20.763 8.261 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.349 -19.041 8.697 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.778 -19.999 9.151 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.268 -21.279 7.456 1.00 0.00 N ATOM 873 CA ARG 1 64 -6.126 -22.395 7.070 1.00 0.00 C ATOM 874 C ARG 1 64 -7.033 -22.822 8.220 1.00 0.00 C ATOM 875 O ARG 1 64 -6.854 -23.892 8.803 1.00 0.00 O ATOM 876 CB ARG 1 64 -5.276 -23.581 6.608 1.00 0.00 C ATOM 877 CG ARG 1 64 -5.929 -24.406 5.511 1.00 0.00 C ATOM 878 CD ARG 1 64 -6.252 -23.557 4.293 1.00 0.00 C ATOM 879 NE ARG 1 64 -6.338 -24.359 3.074 1.00 0.00 N ATOM 880 CZ ARG 1 64 -5.279 -24.813 2.409 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -4.052 -24.547 2.839 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -5.447 -25.535 1.309 1.00 0.00 N ATOM 0 H ARG 1 64 -5.280 -21.058 8.452 1.00 0.00 H new ATOM 0 HA ARG 1 64 -6.757 -22.061 6.246 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -4.315 -23.211 6.250 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -5.071 -24.225 7.463 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -5.264 -25.220 5.222 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -6.844 -24.861 5.892 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -7.197 -23.038 4.453 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -5.485 -22.792 4.170 1.00 0.00 H new ATOM 0 HE ARG 1 64 -7.265 -24.584 2.712 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -3.917 -23.992 3.684 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -3.244 -24.898 2.325 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -6.388 -25.742 0.973 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -4.635 -25.883 0.799 1.00 0.00 H new ATOM 896 N GLY 1 65 -8.011 -21.982 8.537 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.934 -22.293 9.612 1.00 0.00 C ATOM 898 C GLY 1 65 -9.422 -21.054 10.332 1.00 0.00 C ATOM 899 O GLY 1 65 -10.145 -20.238 9.760 1.00 0.00 O ATOM 0 H GLY 1 65 -8.181 -21.092 8.069 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.789 -22.835 9.207 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.445 -22.956 10.326 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.024 -20.911 11.590 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.422 -19.761 12.391 1.00 0.00 C ATOM 905 C ASP 1 66 -8.651 -19.722 13.704 1.00 0.00 C ATOM 906 O ASP 1 66 -9.132 -20.188 14.737 1.00 0.00 O ATOM 907 CB ASP 1 66 -10.925 -19.798 12.666 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.570 -18.432 12.542 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.378 -17.600 13.454 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.268 -18.194 11.534 1.00 0.00 O ATOM 0 H ASP 1 66 -8.426 -21.578 12.078 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.188 -18.858 11.827 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.402 -20.486 11.969 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.098 -20.189 13.669 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.449 -19.166 13.650 1.00 0.00 N ATOM 916 CA TRP 1 67 -6.592 -19.062 14.825 1.00 0.00 C ATOM 917 C TRP 1 67 -6.270 -17.604 15.118 1.00 0.00 C ATOM 918 O TRP 1 67 -6.732 -17.033 16.106 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.295 -19.849 14.602 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.159 -20.389 13.210 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -4.920 -19.679 12.069 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.268 -21.757 12.815 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -4.876 -20.524 10.990 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.085 -21.806 11.423 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.502 -22.944 13.507 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.129 -22.997 10.708 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.546 -24.130 12.798 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.360 -24.149 11.410 1.00 0.00 C ATOM 0 H TRP 1 67 -7.042 -18.777 12.799 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.121 -19.483 15.680 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -4.445 -19.202 14.818 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -5.254 -20.676 15.310 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -4.785 -18.608 12.023 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.714 -20.243 10.023 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -5.646 -22.937 14.577 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -4.986 -23.013 9.638 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -5.727 -25.057 13.323 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.400 -25.091 10.883 1.00 0.00 H new ATOM 939 N ASN 1 68 -5.482 -17.010 14.236 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.090 -15.612 14.365 1.00 0.00 C ATOM 941 C ASN 1 68 -5.715 -14.783 13.248 1.00 0.00 C ATOM 942 O ASN 1 68 -6.060 -13.617 13.442 1.00 0.00 O ATOM 943 CB ASN 1 68 -3.566 -15.471 14.325 1.00 0.00 C ATOM 944 CG ASN 1 68 -2.853 -16.610 15.031 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.373 -16.455 16.154 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -2.781 -17.761 14.373 1.00 0.00 N ATOM 0 H ASN 1 68 -5.097 -17.478 13.415 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.449 -15.245 15.326 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.236 -15.429 13.287 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.280 -14.527 14.788 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.313 -18.562 14.797 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.193 -17.844 13.444 1.00 0.00 H new ATOM 953 N ASP 1 69 -5.860 -15.399 12.077 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.447 -14.729 10.923 1.00 0.00 C ATOM 955 C ASP 1 69 -5.602 -13.541 10.485 1.00 0.00 C ATOM 956 O ASP 1 69 -4.925 -12.913 11.299 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.865 -14.259 11.248 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.914 -15.298 10.904 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.124 -16.221 11.718 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.525 -15.188 9.820 1.00 0.00 O ATOM 0 H ASP 1 69 -5.578 -16.364 11.904 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.482 -15.447 10.104 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.930 -14.019 12.309 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.074 -13.340 10.700 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.657 -13.231 9.195 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.907 -12.109 8.650 1.00 0.00 C ATOM 967 C ASP 1 70 -5.776 -10.864 8.615 1.00 0.00 C ATOM 968 O ASP 1 70 -6.859 -10.870 8.029 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.399 -12.436 7.247 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.314 -11.485 6.791 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.598 -10.276 6.682 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.182 -11.950 6.543 1.00 0.00 O ATOM 0 H ASP 1 70 -6.213 -13.741 8.509 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.049 -11.921 9.295 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.015 -13.456 7.231 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.231 -12.398 6.544 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.315 -9.801 9.266 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.089 -8.571 9.323 1.00 0.00 C ATOM 979 C TYR 1 71 -5.266 -7.328 9.045 1.00 0.00 C ATOM 980 O TYR 1 71 -4.110 -7.218 9.450 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.732 -8.445 10.691 1.00 0.00 C ATOM 982 CG TYR 1 71 -7.972 -9.273 10.822 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.154 -8.844 10.257 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -7.959 -10.479 11.499 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.305 -9.588 10.360 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.102 -11.240 11.609 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.278 -10.792 11.038 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.424 -11.545 11.146 1.00 0.00 O ATOM 0 H TYR 1 71 -4.421 -9.768 9.755 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.842 -8.637 8.537 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.015 -8.747 11.455 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -6.976 -7.399 10.879 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.176 -7.905 9.723 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.041 -10.829 11.947 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.223 -9.235 9.915 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.079 -12.181 12.138 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.232 -12.362 11.652 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.900 -6.382 8.362 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.269 -5.118 8.031 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.013 -4.311 9.298 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.574 -4.606 10.354 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.157 -4.327 7.072 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.526 -4.262 5.367 1.00 0.00 S ATOM 0 H CYS 1 72 -6.859 -6.472 8.026 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.314 -5.316 7.545 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -7.152 -4.771 7.064 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -6.265 -3.310 7.448 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.164 -3.297 9.191 1.00 0.00 N ATOM 1009 CA THR 1 73 -3.835 -2.458 10.336 1.00 0.00 C ATOM 1010 C THR 1 73 -4.192 -0.992 10.083 1.00 0.00 C ATOM 1011 O THR 1 73 -4.029 -0.147 10.962 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.349 -2.591 10.663 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.560 -1.934 9.686 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -1.886 -4.030 10.736 1.00 0.00 C ATOM 0 H THR 1 73 -3.692 -3.036 8.325 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.427 -2.798 11.185 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.223 -2.132 11.644 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.644 -2.281 9.718 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -0.822 -4.058 10.971 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.444 -4.553 11.513 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.058 -4.517 9.776 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.685 -0.697 8.882 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.060 0.666 8.549 1.00 0.00 C ATOM 1024 C GLY 1 74 -3.890 1.631 8.589 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.084 2.846 8.620 1.00 0.00 O ATOM 0 H GLY 1 74 -4.831 -1.377 8.135 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.503 0.682 7.553 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -5.828 1.006 9.244 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.672 1.097 8.586 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.474 1.930 8.620 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.477 1.511 7.538 1.00 0.00 C ATOM 1032 O LYS 1 75 0.646 2.012 7.493 1.00 0.00 O ATOM 1033 CB LYS 1 75 -0.815 1.856 10.000 1.00 0.00 C ATOM 1034 CG LYS 1 75 -0.129 0.528 10.282 1.00 0.00 C ATOM 1035 CD LYS 1 75 -0.678 -0.128 11.539 1.00 0.00 C ATOM 1036 CE LYS 1 75 -0.308 0.658 12.786 1.00 0.00 C ATOM 1037 NZ LYS 1 75 1.165 0.838 12.913 1.00 0.00 N ATOM 0 H LYS 1 75 -2.489 0.094 8.560 1.00 0.00 H new ATOM 0 HA LYS 1 75 -1.775 2.959 8.423 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.082 2.658 10.086 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -1.572 2.033 10.764 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -0.266 -0.141 9.432 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 0.944 0.688 10.393 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -1.763 -0.206 11.466 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -0.290 -1.143 11.620 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -0.792 1.634 12.756 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -0.688 0.141 13.667 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 1.444 0.725 13.908 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 1.653 0.126 12.334 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 1.428 1.790 12.586 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.892 0.592 6.670 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.034 0.112 5.595 1.00 0.00 C ATOM 1053 C SER 1 76 -0.845 -0.669 4.567 1.00 0.00 C ATOM 1054 O SER 1 76 -2.002 -1.011 4.806 1.00 0.00 O ATOM 1055 CB SER 1 76 1.081 -0.770 6.159 1.00 0.00 C ATOM 1056 OG SER 1 76 2.200 0.007 6.549 1.00 0.00 O ATOM 0 H SER 1 76 -1.818 0.166 6.692 1.00 0.00 H new ATOM 0 HA SER 1 76 0.412 0.976 5.103 1.00 0.00 H new ATOM 0 HB2 SER 1 76 0.707 -1.330 7.016 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.385 -1.500 5.409 1.00 0.00 H new ATOM 0 HG SER 1 76 1.895 0.880 6.874 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.230 -0.949 3.423 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.896 -1.694 2.359 1.00 0.00 C ATOM 1064 C SER 1 77 -0.676 -3.197 2.516 1.00 0.00 C ATOM 1065 O SER 1 77 -0.968 -3.972 1.605 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.386 -1.234 0.991 1.00 0.00 C ATOM 1067 OG SER 1 77 0.320 -0.009 1.093 1.00 0.00 O ATOM 0 H SER 1 77 0.728 -0.672 3.208 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.965 -1.495 2.430 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.266 -1.998 0.567 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -1.227 -1.117 0.307 1.00 0.00 H new ATOM 0 HG SER 1 77 -0.085 0.544 1.793 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.157 -3.606 3.672 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.102 -5.016 3.934 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.857 -5.565 4.985 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.227 -4.868 5.930 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.547 -5.212 4.396 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.533 -5.166 3.245 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.249 -5.780 2.195 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.589 -4.516 3.394 1.00 0.00 O ATOM 0 H ASP 1 78 0.091 -2.981 4.439 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.056 -5.565 3.005 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.802 -4.439 5.120 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.635 -6.170 4.908 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.251 -6.821 4.812 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.163 -7.476 5.741 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.478 -8.664 6.418 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.342 -9.731 5.821 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.417 -7.949 5.004 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.944 -7.803 5.986 1.00 0.00 S ATOM 0 H CYS 1 79 -0.952 -7.408 4.033 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.450 -6.756 6.507 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.529 -7.370 4.087 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.283 -8.990 4.709 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.028 -8.494 7.675 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.348 -9.560 8.423 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.292 -10.688 8.837 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.428 -10.442 9.244 1.00 0.00 O ATOM 1099 CB PRO 1 80 0.187 -8.835 9.660 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.731 -7.678 9.845 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.138 -7.251 8.462 1.00 0.00 C ATOM 0 HA PRO 1 80 0.422 -10.045 7.823 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 0.184 -9.487 10.534 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.215 -8.505 9.512 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.601 -7.960 10.439 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.234 -6.865 10.374 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.153 -6.854 8.446 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.484 -6.470 8.074 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.808 -11.925 8.737 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.606 -13.098 9.110 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.831 -13.154 10.613 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.656 -13.928 11.097 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.928 -14.409 8.692 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.161 -14.267 7.677 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.478 -13.987 7.905 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.020 -14.425 6.272 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.162 -13.958 6.715 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.285 -14.226 5.696 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -1.061 -14.716 5.450 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 1.497 -14.313 4.326 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -0.856 -14.804 4.087 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 0.416 -14.604 3.535 1.00 0.00 C ATOM 0 H TRP 1 81 0.130 -12.144 8.402 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.556 -12.994 8.587 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.514 -14.885 9.581 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.688 -15.082 8.294 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.916 -13.814 8.877 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.158 -13.768 6.607 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -2.044 -14.871 5.869 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 2.477 -14.157 3.900 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -1.688 -15.030 3.437 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 0.547 -14.681 2.466 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.062 -12.364 11.343 1.00 0.00 N ATOM 1134 CA ASN 1 82 -1.138 -12.347 12.799 1.00 0.00 C ATOM 1135 C ASN 1 82 -0.584 -13.655 13.356 1.00 0.00 C ATOM 1136 O ASN 1 82 -0.994 -14.118 14.420 1.00 0.00 O ATOM 1137 CB ASN 1 82 -2.580 -12.141 13.272 1.00 0.00 C ATOM 1138 CG ASN 1 82 -3.082 -10.735 13.005 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -3.224 -9.929 13.925 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -3.352 -10.433 11.741 1.00 0.00 N ATOM 0 H ASN 1 82 -0.373 -11.722 10.951 1.00 0.00 H new ATOM 0 HA ASN 1 82 -0.540 -11.513 13.168 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.230 -12.857 12.769 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -2.642 -12.349 14.340 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -3.692 -9.502 11.501 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.220 -11.132 11.010 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.348 -14.249 12.611 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.966 -15.510 13.001 1.00 0.00 C ATOM 1149 C HIS 1 83 2.355 -15.282 13.588 1.00 0.00 C ATOM 1150 O HIS 1 83 2.893 -14.168 13.417 1.00 0.00 O ATOM 1151 CB HIS 1 83 1.053 -16.440 11.787 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.283 -16.748 11.190 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -0.461 -17.090 9.867 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -1.516 -16.742 11.745 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -1.749 -17.277 9.634 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -2.409 -17.075 10.758 1.00 0.00 N ATOM 1157 OXT HIS 1 83 2.893 -16.219 14.215 1.00 0.00 O ATOM 0 H HIS 1 83 0.692 -13.871 11.728 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.347 -15.974 13.769 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.686 -15.980 11.029 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 1.536 -17.371 12.083 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -1.754 -16.517 12.774 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -2.186 -17.549 8.685 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -3.419 -17.154 10.875 1.00 0.00 H new