USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 443 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 44 CYS SG : rot 149:sc= 0.593 USER MOD Set 1.2: A 47 CYS SG : rot -46:sc= 0.431 USER MOD Set 1.3: A 71 CYS SG : rot -136:sc= 0.692 USER MOD Set 1.4: A 74 CYS SG : rot 103:sc= 0.0696 USER MOD Set 2.1: A 28 SER OG : rot -110:sc= 0.48 USER MOD Set 2.2: A 29 CYS SG : rot 166:sc= 0.63 USER MOD Set 2.3: A 32 CYS SG : rot -59:sc= 0.692 USER MOD Set 2.4: A 41 GLN : amide:sc= -0.116 X(o=0.9,f=0.52) USER MOD Set 2.5: A 52 HIS : no HE2:sc= -1.3 K(o=0.9,f=0.14) USER MOD Set 2.6: A 55 CYS SG : rot 49:sc= 0.516 USER MOD Set 3.1: A 13 CYS SG : rot 160:sc= 0.786 USER MOD Set 3.2: A 16 CYS SG : rot -49:sc= 0.858 USER MOD Set 3.3: A 24 CYS SG : rot -163:sc= -0.148 USER MOD Set 3.4: A 27 CYS SG : rot 139:sc= 0.955 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-3.6!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0.461 (180deg=0.433) USER MOD Single : A 36 HIS : no HD1:sc= -0.0963 X(o=-0.096,f=-0.19) USER MOD Single : A 39 ASN : amide:sc= -0.717 K(o=-0.72,f=-0.0035) USER MOD Single : A 40 MET CE :methyl 175:sc=-0.00693 (180deg=-0.0468) USER MOD Single : A 48 ASN : amide:sc= -0.0343 K(o=-0.034,f=-1.1) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.673 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= 0.0254 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 13 -10.147 11.293 10.406 1.00 0.00 N ATOM 146 CA CYS A 13 -9.458 10.537 11.445 1.00 0.00 C ATOM 147 C CYS A 13 -9.765 11.107 12.827 1.00 0.00 C ATOM 148 O CYS A 13 -9.634 12.309 13.057 1.00 0.00 O ATOM 149 CB CYS A 13 -7.948 10.552 11.199 1.00 0.00 C ATOM 150 SG CYS A 13 -6.992 9.553 12.384 1.00 0.00 S ATOM 0 HA CYS A 13 -9.815 9.508 11.408 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.751 10.187 10.191 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.594 11.582 11.240 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.826 9.278 11.878 1.00 0.00 H new ATOM 155 N ASP A 14 -10.174 10.236 13.742 1.00 0.00 N ATOM 156 CA ASP A 14 -10.499 10.651 15.102 1.00 0.00 C ATOM 157 C ASP A 14 -9.283 10.523 16.014 1.00 0.00 C ATOM 158 O ASP A 14 -9.126 11.286 16.968 1.00 0.00 O ATOM 159 CB ASP A 14 -11.655 9.813 15.651 1.00 0.00 C ATOM 160 CG ASP A 14 -12.999 10.490 15.467 1.00 0.00 C ATOM 161 OD1 ASP A 14 -13.079 11.718 15.677 1.00 0.00 O ATOM 162 OD2 ASP A 14 -13.972 9.790 15.113 1.00 0.00 O ATOM 0 H ASP A 14 -10.289 9.238 13.567 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.801 11.698 15.074 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.668 8.845 15.151 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.490 9.622 16.711 1.00 0.00 H new ATOM 167 N LEU A 15 -8.426 9.553 15.716 1.00 0.00 N ATOM 168 CA LEU A 15 -7.223 9.324 16.510 1.00 0.00 C ATOM 169 C LEU A 15 -6.423 10.613 16.669 1.00 0.00 C ATOM 170 O LEU A 15 -6.337 11.171 17.763 1.00 0.00 O ATOM 171 CB LEU A 15 -6.354 8.248 15.856 1.00 0.00 C ATOM 172 CG LEU A 15 -6.489 6.837 16.429 1.00 0.00 C ATOM 173 CD1 LEU A 15 -6.142 6.827 17.910 1.00 0.00 C ATOM 174 CD2 LEU A 15 -7.897 6.303 16.206 1.00 0.00 C ATOM 0 H LEU A 15 -8.541 8.912 14.931 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.529 8.983 17.499 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.594 8.212 14.793 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.311 8.553 15.937 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.788 6.185 15.908 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.244 5.815 18.301 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.115 7.167 18.045 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.818 7.493 18.447 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.975 5.298 16.620 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.616 6.956 16.701 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.110 6.273 15.137 1.00 0.00 H new ATOM 186 N CYS A 16 -5.840 11.081 15.571 1.00 0.00 N ATOM 187 CA CYS A 16 -5.047 12.305 15.588 1.00 0.00 C ATOM 188 C CYS A 16 -5.908 13.515 15.234 1.00 0.00 C ATOM 189 O CYS A 16 -5.629 14.634 15.661 1.00 0.00 O ATOM 190 CB CYS A 16 -3.878 12.193 14.608 1.00 0.00 C ATOM 191 SG CYS A 16 -4.380 12.083 12.860 1.00 0.00 S ATOM 0 H CYS A 16 -5.902 10.631 14.658 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.656 12.442 16.596 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.228 13.059 14.734 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.288 11.312 14.862 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.304 11.177 12.730 1.00 0.00 H new ATOM 196 N GLY A 17 -6.956 13.280 14.451 1.00 0.00 N ATOM 197 CA GLY A 17 -7.842 14.359 14.054 1.00 0.00 C ATOM 198 C GLY A 17 -7.759 14.661 12.571 1.00 0.00 C ATOM 199 O GLY A 17 -8.780 14.797 11.899 1.00 0.00 O ATOM 0 H GLY A 17 -7.208 12.362 14.084 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.868 14.096 14.311 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.592 15.257 14.619 1.00 0.00 H new ATOM 203 N GLY A 18 -6.536 14.767 12.057 1.00 0.00 N ATOM 204 CA GLY A 18 -6.346 15.056 10.648 1.00 0.00 C ATOM 205 C GLY A 18 -5.284 16.110 10.410 1.00 0.00 C ATOM 206 O GLY A 18 -5.563 17.166 9.841 1.00 0.00 O ATOM 0 H GLY A 18 -5.674 14.658 12.592 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.067 14.140 10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.290 15.392 10.219 1.00 0.00 H new ATOM 210 N ASP A 19 -4.062 15.826 10.848 1.00 0.00 N ATOM 211 CA ASP A 19 -2.954 16.759 10.681 1.00 0.00 C ATOM 212 C ASP A 19 -1.617 16.024 10.705 1.00 0.00 C ATOM 213 O ASP A 19 -1.484 14.944 11.282 1.00 0.00 O ATOM 214 CB ASP A 19 -2.984 17.823 11.779 1.00 0.00 C ATOM 215 CG ASP A 19 -3.492 19.160 11.275 1.00 0.00 C ATOM 216 OD1 ASP A 19 -2.786 19.794 10.462 1.00 0.00 O ATOM 217 OD2 ASP A 19 -4.593 19.573 11.694 1.00 0.00 O ATOM 0 H ASP A 19 -3.814 14.957 11.321 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.064 17.245 9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.619 17.480 12.596 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.981 17.949 12.187 1.00 0.00 H new ATOM 222 N PRO A 20 -0.602 16.620 10.063 1.00 0.00 N ATOM 223 CA PRO A 20 0.743 16.040 9.995 1.00 0.00 C ATOM 224 C PRO A 20 1.453 16.064 11.344 1.00 0.00 C ATOM 225 O PRO A 20 2.009 15.057 11.781 1.00 0.00 O ATOM 226 CB PRO A 20 1.468 16.940 8.992 1.00 0.00 C ATOM 227 CG PRO A 20 0.749 18.243 9.064 1.00 0.00 C ATOM 228 CD PRO A 20 -0.688 17.907 9.353 1.00 0.00 C ATOM 0 HA PRO A 20 0.720 14.989 9.705 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.521 17.054 9.251 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.431 16.522 7.986 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.167 18.877 9.846 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.841 18.792 8.127 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.164 18.673 9.965 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.273 17.822 8.437 1.00 0.00 H new ATOM 236 N GLU A 21 1.429 17.221 11.999 1.00 0.00 N ATOM 237 CA GLU A 21 2.072 17.375 13.299 1.00 0.00 C ATOM 238 C GLU A 21 1.517 16.369 14.303 1.00 0.00 C ATOM 239 O GLU A 21 2.261 15.575 14.880 1.00 0.00 O ATOM 240 CB GLU A 21 1.875 18.798 13.825 1.00 0.00 C ATOM 241 CG GLU A 21 2.538 19.862 12.966 1.00 0.00 C ATOM 242 CD GLU A 21 3.595 20.645 13.720 1.00 0.00 C ATOM 243 OE1 GLU A 21 3.227 21.585 14.455 1.00 0.00 O ATOM 244 OE2 GLU A 21 4.792 20.317 13.574 1.00 0.00 O ATOM 0 H GLU A 21 0.972 18.064 11.651 1.00 0.00 H new ATOM 0 HA GLU A 21 3.138 17.186 13.173 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.807 19.008 13.889 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.273 18.860 14.838 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.993 19.389 12.096 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.778 20.549 12.594 1.00 0.00 H new ATOM 251 N LYS A 22 0.205 16.408 14.508 1.00 0.00 N ATOM 252 CA LYS A 22 -0.452 15.501 15.441 1.00 0.00 C ATOM 253 C LYS A 22 -0.123 14.049 15.110 1.00 0.00 C ATOM 254 O LYS A 22 -0.693 13.467 14.187 1.00 0.00 O ATOM 255 CB LYS A 22 -1.967 15.712 15.409 1.00 0.00 C ATOM 256 CG LYS A 22 -2.401 17.081 15.905 1.00 0.00 C ATOM 257 CD LYS A 22 -3.448 16.971 17.000 1.00 0.00 C ATOM 258 CE LYS A 22 -2.826 17.104 18.381 1.00 0.00 C ATOM 259 NZ LYS A 22 -3.408 16.132 19.348 1.00 0.00 N ATOM 0 H LYS A 22 -0.425 17.059 14.040 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.083 15.720 16.443 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.323 15.575 14.388 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.445 14.945 16.019 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.534 17.624 16.282 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.802 17.660 15.073 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.202 17.746 16.863 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.959 16.012 16.921 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.750 16.946 18.311 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.976 18.118 18.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.958 16.255 20.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.431 16.298 19.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.242 15.163 19.008 1.00 0.00 H new ATOM 273 N LYS A 23 0.798 13.467 15.871 1.00 0.00 N ATOM 274 CA LYS A 23 1.201 12.082 15.661 1.00 0.00 C ATOM 275 C LYS A 23 -0.014 11.160 15.635 1.00 0.00 C ATOM 276 O LYS A 23 -1.061 11.480 16.196 1.00 0.00 O ATOM 277 CB LYS A 23 2.168 11.638 16.761 1.00 0.00 C ATOM 278 CG LYS A 23 3.288 10.742 16.262 1.00 0.00 C ATOM 279 CD LYS A 23 4.437 10.681 17.254 1.00 0.00 C ATOM 280 CE LYS A 23 5.737 11.169 16.632 1.00 0.00 C ATOM 281 NZ LYS A 23 5.789 12.655 16.552 1.00 0.00 N ATOM 0 H LYS A 23 1.280 13.934 16.639 1.00 0.00 H new ATOM 0 HA LYS A 23 1.704 12.019 14.696 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.602 12.521 17.229 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.609 11.110 17.533 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.902 9.737 16.089 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.652 11.113 15.304 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.199 11.290 18.126 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.562 9.657 17.605 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.580 10.807 17.221 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.842 10.747 15.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.690 12.948 16.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.999 12.999 15.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.714 13.057 17.508 1.00 0.00 H new ATOM 295 N CYS A 24 0.134 10.013 14.980 1.00 0.00 N ATOM 296 CA CYS A 24 -0.950 9.043 14.881 1.00 0.00 C ATOM 297 C CYS A 24 -0.402 7.627 14.730 1.00 0.00 C ATOM 298 O CYS A 24 0.705 7.429 14.228 1.00 0.00 O ATOM 299 CB CYS A 24 -1.857 9.380 13.695 1.00 0.00 C ATOM 300 SG CYS A 24 -3.528 8.663 13.810 1.00 0.00 S ATOM 0 H CYS A 24 0.995 9.733 14.510 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.532 9.092 15.801 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.943 10.464 13.613 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.384 9.028 12.778 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.094 8.691 12.640 1.00 0.00 H new ATOM 305 N HIS A 25 -1.184 6.646 15.168 1.00 0.00 N ATOM 306 CA HIS A 25 -0.778 5.248 15.082 1.00 0.00 C ATOM 307 C HIS A 25 -1.418 4.570 13.874 1.00 0.00 C ATOM 308 O HIS A 25 -0.886 3.595 13.343 1.00 0.00 O ATOM 309 CB HIS A 25 -1.160 4.503 16.361 1.00 0.00 C ATOM 310 CG HIS A 25 0.003 4.229 17.265 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.126 3.541 16.857 1.00 0.00 N ATOM 312 CD2 HIS A 25 0.213 4.554 18.562 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.977 3.455 17.865 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.446 4.062 18.911 1.00 0.00 N ATOM 0 H HIS A 25 -2.103 6.793 15.586 1.00 0.00 H new ATOM 0 HA HIS A 25 0.305 5.217 14.963 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.902 5.088 16.904 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.632 3.558 16.094 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.464 5.099 19.203 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.942 2.971 17.838 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.881 4.151 19.829 1.00 0.00 H new ATOM 322 N SER A 26 -2.562 5.092 13.446 1.00 0.00 N ATOM 323 CA SER A 26 -3.277 4.534 12.304 1.00 0.00 C ATOM 324 C SER A 26 -2.764 5.132 10.997 1.00 0.00 C ATOM 325 O SER A 26 -2.361 4.409 10.086 1.00 0.00 O ATOM 326 CB SER A 26 -4.779 4.791 12.440 1.00 0.00 C ATOM 327 OG SER A 26 -5.451 4.550 11.216 1.00 0.00 O ATOM 0 H SER A 26 -3.014 5.901 13.873 1.00 0.00 H new ATOM 0 HA SER A 26 -3.100 3.459 12.286 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.192 4.149 13.218 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.948 5.821 12.754 1.00 0.00 H new ATOM 0 HG SER A 26 -6.409 4.720 11.330 1.00 0.00 H new ATOM 333 N CYS A 27 -2.783 6.458 10.913 1.00 0.00 N ATOM 334 CA CYS A 27 -2.321 7.156 9.719 1.00 0.00 C ATOM 335 C CYS A 27 -0.896 6.742 9.364 1.00 0.00 C ATOM 336 O CYS A 27 -0.492 6.801 8.203 1.00 0.00 O ATOM 337 CB CYS A 27 -2.386 8.670 9.930 1.00 0.00 C ATOM 338 SG CYS A 27 -4.069 9.310 10.205 1.00 0.00 S ATOM 0 H CYS A 27 -3.114 7.071 11.658 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.977 6.883 8.892 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.764 8.934 10.785 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.958 9.166 9.059 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.041 10.218 11.135 1.00 0.00 H new ATOM 343 N SER A 28 -0.139 6.322 10.373 1.00 0.00 N ATOM 344 CA SER A 28 1.242 5.901 10.169 1.00 0.00 C ATOM 345 C SER A 28 1.487 4.525 10.782 1.00 0.00 C ATOM 346 O SER A 28 0.550 3.839 11.190 1.00 0.00 O ATOM 347 CB SER A 28 2.204 6.922 10.779 1.00 0.00 C ATOM 348 OG SER A 28 3.391 7.027 10.011 1.00 0.00 O ATOM 0 H SER A 28 -0.459 6.264 11.340 1.00 0.00 H new ATOM 0 HA SER A 28 1.422 5.839 9.096 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.717 7.896 10.837 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.452 6.629 11.799 1.00 0.00 H new ATOM 0 HG SER A 28 4.141 6.648 10.515 1.00 0.00 H new ATOM 354 N CYS A 29 2.754 4.129 10.843 1.00 0.00 N ATOM 355 CA CYS A 29 3.125 2.836 11.404 1.00 0.00 C ATOM 356 C CYS A 29 2.513 2.649 12.790 1.00 0.00 C ATOM 357 O CYS A 29 2.694 3.482 13.678 1.00 0.00 O ATOM 358 CB CYS A 29 4.647 2.710 11.486 1.00 0.00 C ATOM 359 SG CYS A 29 5.235 1.027 11.864 1.00 0.00 S ATOM 0 H CYS A 29 3.541 4.686 10.510 1.00 0.00 H new ATOM 0 HA CYS A 29 2.738 2.058 10.746 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.079 3.030 10.538 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.017 3.393 12.251 1.00 0.00 H new ATOM 0 HG CYS A 29 6.509 0.948 11.620 1.00 0.00 H new ATOM 364 N ARG A 30 1.787 1.549 12.966 1.00 0.00 N ATOM 365 CA ARG A 30 1.147 1.253 14.242 1.00 0.00 C ATOM 366 C ARG A 30 2.037 0.360 15.102 1.00 0.00 C ATOM 367 O ARG A 30 1.837 0.247 16.312 1.00 0.00 O ATOM 368 CB ARG A 30 -0.205 0.576 14.014 1.00 0.00 C ATOM 369 CG ARG A 30 -1.244 0.919 15.068 1.00 0.00 C ATOM 370 CD ARG A 30 -2.545 1.390 14.436 1.00 0.00 C ATOM 371 NE ARG A 30 -3.713 0.801 15.086 1.00 0.00 N ATOM 372 CZ ARG A 30 -4.108 -0.452 14.891 1.00 0.00 C ATOM 373 NH1 ARG A 30 -3.432 -1.244 14.071 1.00 0.00 N ATOM 374 NH2 ARG A 30 -5.182 -0.915 15.518 1.00 0.00 N ATOM 0 H ARG A 30 1.628 0.849 12.241 1.00 0.00 H new ATOM 0 HA ARG A 30 0.989 2.195 14.768 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.585 0.864 13.034 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.062 -0.504 13.995 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.436 0.044 15.689 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.855 1.697 15.725 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.605 2.477 14.497 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.549 1.130 13.378 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.255 1.384 15.724 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.606 -0.892 13.588 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.738 -2.206 13.923 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.705 -0.309 16.150 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.485 -1.877 15.368 1.00 0.00 H new ATOM 388 N VAL A 31 3.019 -0.273 14.469 1.00 0.00 N ATOM 389 CA VAL A 31 3.940 -1.156 15.176 1.00 0.00 C ATOM 390 C VAL A 31 4.885 -0.362 16.070 1.00 0.00 C ATOM 391 O VAL A 31 4.746 -0.362 17.294 1.00 0.00 O ATOM 392 CB VAL A 31 4.771 -2.003 14.193 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.760 -2.878 14.947 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.860 -2.847 13.316 1.00 0.00 C ATOM 0 H VAL A 31 3.198 -0.191 13.468 1.00 0.00 H new ATOM 0 HA VAL A 31 3.333 -1.819 15.792 1.00 0.00 H new ATOM 0 HB VAL A 31 5.336 -1.330 13.548 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.338 -3.469 14.237 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.434 -2.248 15.528 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.218 -3.545 15.618 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.464 -3.439 12.628 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.266 -3.513 13.943 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.196 -2.195 12.748 1.00 0.00 H new ATOM 404 N CYS A 32 5.847 0.315 15.452 1.00 0.00 N ATOM 405 CA CYS A 32 6.817 1.114 16.191 1.00 0.00 C ATOM 406 C CYS A 32 6.216 2.456 16.602 1.00 0.00 C ATOM 407 O CYS A 32 6.644 3.067 17.580 1.00 0.00 O ATOM 408 CB CYS A 32 8.071 1.342 15.346 1.00 0.00 C ATOM 409 SG CYS A 32 7.834 2.499 13.959 1.00 0.00 S ATOM 0 H CYS A 32 5.976 0.326 14.440 1.00 0.00 H new ATOM 0 HA CYS A 32 7.090 0.566 17.093 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.865 1.721 15.989 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.410 0.384 14.952 1.00 0.00 H new ATOM 0 HG CYS A 32 6.902 2.049 13.173 1.00 0.00 H new ATOM 414 N GLY A 33 5.220 2.908 15.845 1.00 0.00 N ATOM 415 CA GLY A 33 4.576 4.174 16.146 1.00 0.00 C ATOM 416 C GLY A 33 5.404 5.364 15.703 1.00 0.00 C ATOM 417 O GLY A 33 5.745 6.227 16.511 1.00 0.00 O ATOM 0 H GLY A 33 4.848 2.421 15.030 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.603 4.209 15.656 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.395 4.240 17.219 1.00 0.00 H new ATOM 421 N GLY A 34 5.728 5.412 14.414 1.00 0.00 N ATOM 422 CA GLY A 34 6.520 6.509 13.889 1.00 0.00 C ATOM 423 C GLY A 34 5.875 7.163 12.683 1.00 0.00 C ATOM 424 O GLY A 34 5.158 6.513 11.923 1.00 0.00 O ATOM 0 H GLY A 34 5.456 4.711 13.725 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.664 7.256 14.670 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.508 6.141 13.614 1.00 0.00 H new ATOM 428 N LYS A 35 6.127 8.456 12.508 1.00 0.00 N ATOM 429 CA LYS A 35 5.567 9.201 11.387 1.00 0.00 C ATOM 430 C LYS A 35 6.668 9.682 10.448 1.00 0.00 C ATOM 431 O LYS A 35 6.767 10.873 10.150 1.00 0.00 O ATOM 432 CB LYS A 35 4.757 10.396 11.897 1.00 0.00 C ATOM 433 CG LYS A 35 3.603 10.781 10.987 1.00 0.00 C ATOM 434 CD LYS A 35 2.572 11.622 11.721 1.00 0.00 C ATOM 435 CE LYS A 35 1.159 11.298 11.260 1.00 0.00 C ATOM 436 NZ LYS A 35 0.163 12.261 11.806 1.00 0.00 N ATOM 0 H LYS A 35 6.716 9.010 13.129 1.00 0.00 H new ATOM 0 HA LYS A 35 4.908 8.533 10.832 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.366 10.163 12.887 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.421 11.253 12.010 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.984 11.336 10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.129 9.880 10.598 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.655 11.447 12.794 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.777 12.679 11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.120 11.313 10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.897 10.288 11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.797 11.940 11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.264 12.316 12.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.326 13.201 11.392 1.00 0.00 H new ATOM 450 N HIS A 36 7.493 8.749 9.984 1.00 0.00 N ATOM 451 CA HIS A 36 8.586 9.078 9.076 1.00 0.00 C ATOM 452 C HIS A 36 8.646 8.088 7.916 1.00 0.00 C ATOM 453 O HIS A 36 8.054 7.012 7.977 1.00 0.00 O ATOM 454 CB HIS A 36 9.917 9.083 9.828 1.00 0.00 C ATOM 455 CG HIS A 36 10.130 7.867 10.676 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.644 7.751 11.961 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.781 6.709 10.416 1.00 0.00 C ATOM 458 CE1 HIS A 36 9.987 6.575 12.455 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.678 5.923 11.537 1.00 0.00 N ATOM 0 H HIS A 36 7.426 7.759 10.222 1.00 0.00 H new ATOM 0 HA HIS A 36 8.403 10.073 8.671 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.732 9.161 9.108 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.964 9.970 10.460 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.287 6.451 9.498 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.744 6.209 13.442 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.071 4.988 11.644 1.00 0.00 H new ATOM 467 N GLU A 37 9.366 8.461 6.863 1.00 0.00 N ATOM 468 CA GLU A 37 9.501 7.606 5.690 1.00 0.00 C ATOM 469 C GLU A 37 8.132 7.204 5.149 1.00 0.00 C ATOM 470 O GLU A 37 7.749 6.034 5.167 1.00 0.00 O ATOM 471 CB GLU A 37 10.314 6.356 6.033 1.00 0.00 C ATOM 472 CG GLU A 37 11.805 6.616 6.165 1.00 0.00 C ATOM 473 CD GLU A 37 12.629 5.794 5.193 1.00 0.00 C ATOM 474 OE1 GLU A 37 12.771 4.574 5.419 1.00 0.00 O ATOM 475 OE2 GLU A 37 13.131 6.371 4.206 1.00 0.00 O ATOM 0 H GLU A 37 9.864 9.349 6.798 1.00 0.00 H new ATOM 0 HA GLU A 37 10.025 8.171 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.943 5.937 6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.152 5.604 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.002 7.675 5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.120 6.391 7.184 1.00 0.00 H new ATOM 482 N PRO A 38 7.377 8.196 4.655 1.00 0.00 N ATOM 483 CA PRO A 38 6.039 7.971 4.100 1.00 0.00 C ATOM 484 C PRO A 38 6.080 7.213 2.777 1.00 0.00 C ATOM 485 O PRO A 38 5.097 6.594 2.375 1.00 0.00 O ATOM 486 CB PRO A 38 5.500 9.388 3.888 1.00 0.00 C ATOM 487 CG PRO A 38 6.714 10.236 3.730 1.00 0.00 C ATOM 488 CD PRO A 38 7.770 9.614 4.602 1.00 0.00 C ATOM 0 HA PRO A 38 5.422 7.360 4.759 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.863 9.441 3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.898 9.713 4.736 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.036 10.267 2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.514 11.264 4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.766 9.739 4.178 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.787 10.064 5.595 1.00 0.00 H new ATOM 496 N ASN A 39 7.226 7.267 2.105 1.00 0.00 N ATOM 497 CA ASN A 39 7.395 6.586 0.827 1.00 0.00 C ATOM 498 C ASN A 39 7.535 5.080 1.028 1.00 0.00 C ATOM 499 O ASN A 39 7.177 4.291 0.153 1.00 0.00 O ATOM 500 CB ASN A 39 8.623 7.130 0.094 1.00 0.00 C ATOM 501 CG ASN A 39 8.986 6.299 -1.121 1.00 0.00 C ATOM 502 OD1 ASN A 39 8.496 6.544 -2.224 1.00 0.00 O ATOM 503 ND2 ASN A 39 9.849 5.309 -0.925 1.00 0.00 N ATOM 0 H ASN A 39 8.051 7.775 2.425 1.00 0.00 H new ATOM 0 HA ASN A 39 6.507 6.774 0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.432 8.157 -0.216 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.470 7.156 0.779 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.131 4.716 -1.706 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.230 5.142 0.006 1.00 0.00 H new ATOM 510 N MET A 40 8.056 4.689 2.186 1.00 0.00 N ATOM 511 CA MET A 40 8.241 3.277 2.502 1.00 0.00 C ATOM 512 C MET A 40 7.100 2.761 3.374 1.00 0.00 C ATOM 513 O MET A 40 7.268 1.803 4.127 1.00 0.00 O ATOM 514 CB MET A 40 9.579 3.063 3.214 1.00 0.00 C ATOM 515 CG MET A 40 10.785 3.405 2.355 1.00 0.00 C ATOM 516 SD MET A 40 11.449 1.970 1.488 1.00 0.00 S ATOM 517 CE MET A 40 12.790 1.504 2.581 1.00 0.00 C ATOM 0 H MET A 40 8.357 5.329 2.921 1.00 0.00 H new ATOM 0 HA MET A 40 8.241 2.718 1.566 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.602 3.672 4.118 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.651 2.022 3.529 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.504 4.166 1.627 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.563 3.837 2.984 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.243 0.578 2.227 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.541 2.294 2.593 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.403 1.356 3.589 1.00 0.00 H new ATOM 527 N GLN A 41 5.942 3.403 3.265 1.00 0.00 N ATOM 528 CA GLN A 41 4.774 3.008 4.044 1.00 0.00 C ATOM 529 C GLN A 41 3.771 2.254 3.178 1.00 0.00 C ATOM 530 O GLN A 41 3.402 2.712 2.095 1.00 0.00 O ATOM 531 CB GLN A 41 4.108 4.239 4.663 1.00 0.00 C ATOM 532 CG GLN A 41 4.553 4.518 6.090 1.00 0.00 C ATOM 533 CD GLN A 41 4.037 5.844 6.613 1.00 0.00 C ATOM 534 OE1 GLN A 41 2.970 6.309 6.213 1.00 0.00 O ATOM 535 NE2 GLN A 41 4.794 6.460 7.513 1.00 0.00 N ATOM 0 H GLN A 41 5.787 4.198 2.645 1.00 0.00 H new ATOM 0 HA GLN A 41 5.108 2.344 4.841 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.328 5.110 4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.027 4.103 4.648 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.204 3.715 6.739 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.642 4.513 6.135 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.672 6.038 7.816 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.498 7.355 7.901 1.00 0.00 H new ATOM 544 N LEU A 42 3.332 1.097 3.660 1.00 0.00 N ATOM 545 CA LEU A 42 2.371 0.279 2.929 1.00 0.00 C ATOM 546 C LEU A 42 0.960 0.480 3.473 1.00 0.00 C ATOM 547 O LEU A 42 0.731 0.398 4.680 1.00 0.00 O ATOM 548 CB LEU A 42 2.758 -1.199 3.018 1.00 0.00 C ATOM 549 CG LEU A 42 4.252 -1.509 2.916 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.517 -2.971 3.240 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.774 -1.164 1.529 1.00 0.00 C ATOM 0 H LEU A 42 3.626 0.704 4.554 1.00 0.00 H new ATOM 0 HA LEU A 42 2.386 0.590 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.389 -1.594 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.241 -1.738 2.224 1.00 0.00 H new ATOM 0 HG LEU A 42 4.782 -0.896 3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.585 -3.173 3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.180 -3.186 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.976 -3.603 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.839 -1.391 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.239 -1.751 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.619 -0.103 1.335 1.00 0.00 H new ATOM 563 N LEU A 43 0.017 0.742 2.574 1.00 0.00 N ATOM 564 CA LEU A 43 -1.373 0.953 2.963 1.00 0.00 C ATOM 565 C LEU A 43 -2.199 -0.309 2.739 1.00 0.00 C ATOM 566 O LEU A 43 -2.063 -0.979 1.715 1.00 0.00 O ATOM 567 CB LEU A 43 -1.973 2.117 2.172 1.00 0.00 C ATOM 568 CG LEU A 43 -2.536 3.273 3.000 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.783 2.834 3.751 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.485 3.796 3.968 1.00 0.00 C ATOM 0 H LEU A 43 0.190 0.813 1.571 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.395 1.194 4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.205 2.513 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.771 1.727 1.540 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.811 4.081 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.169 3.670 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.541 2.508 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.534 2.009 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.903 4.618 4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.179 2.995 4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.619 4.150 3.409 1.00 0.00 H new ATOM 582 N CYS A 44 -3.057 -0.628 3.702 1.00 0.00 N ATOM 583 CA CYS A 44 -3.907 -1.808 3.610 1.00 0.00 C ATOM 584 C CYS A 44 -5.148 -1.521 2.771 1.00 0.00 C ATOM 585 O CYS A 44 -5.715 -0.430 2.836 1.00 0.00 O ATOM 586 CB CYS A 44 -4.319 -2.276 5.008 1.00 0.00 C ATOM 587 SG CYS A 44 -5.471 -3.687 5.010 1.00 0.00 S ATOM 0 H CYS A 44 -3.182 -0.085 4.556 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.336 -2.599 3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.424 -2.551 5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.781 -1.443 5.537 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.270 -4.410 6.071 1.00 0.00 H new ATOM 592 N ASP A 45 -5.565 -2.507 1.985 1.00 0.00 N ATOM 593 CA ASP A 45 -6.740 -2.361 1.134 1.00 0.00 C ATOM 594 C ASP A 45 -7.991 -2.872 1.842 1.00 0.00 C ATOM 595 O ASP A 45 -8.821 -3.553 1.241 1.00 0.00 O ATOM 596 CB ASP A 45 -6.540 -3.115 -0.182 1.00 0.00 C ATOM 597 CG ASP A 45 -7.088 -2.356 -1.374 1.00 0.00 C ATOM 598 OD1 ASP A 45 -6.974 -1.112 -1.388 1.00 0.00 O ATOM 599 OD2 ASP A 45 -7.630 -3.005 -2.292 1.00 0.00 O ATOM 0 H ASP A 45 -5.107 -3.416 1.919 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.873 -1.301 0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.477 -3.302 -0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.029 -4.087 -0.118 1.00 0.00 H new ATOM 604 N GLU A 46 -8.118 -2.539 3.123 1.00 0.00 N ATOM 605 CA GLU A 46 -9.267 -2.966 3.913 1.00 0.00 C ATOM 606 C GLU A 46 -9.533 -1.992 5.057 1.00 0.00 C ATOM 607 O GLU A 46 -10.587 -1.358 5.115 1.00 0.00 O ATOM 608 CB GLU A 46 -9.036 -4.372 4.469 1.00 0.00 C ATOM 609 CG GLU A 46 -10.289 -5.011 5.046 1.00 0.00 C ATOM 610 CD GLU A 46 -11.408 -5.122 4.030 1.00 0.00 C ATOM 611 OE1 GLU A 46 -11.341 -6.026 3.170 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.351 -4.306 4.093 1.00 0.00 O ATOM 0 H GLU A 46 -7.440 -1.975 3.635 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.140 -2.980 3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.646 -5.008 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.271 -4.326 5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.045 -6.004 5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.633 -4.423 5.897 1.00 0.00 H new ATOM 619 N CYS A 47 -8.570 -1.878 5.966 1.00 0.00 N ATOM 620 CA CYS A 47 -8.699 -0.983 7.109 1.00 0.00 C ATOM 621 C CYS A 47 -8.006 0.349 6.838 1.00 0.00 C ATOM 622 O CYS A 47 -8.204 1.322 7.564 1.00 0.00 O ATOM 623 CB CYS A 47 -8.106 -1.633 8.361 1.00 0.00 C ATOM 624 SG CYS A 47 -6.340 -2.056 8.214 1.00 0.00 S ATOM 0 H CYS A 47 -7.691 -2.395 5.933 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.760 -0.794 7.273 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.237 -0.957 9.205 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.668 -2.539 8.588 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.128 -2.643 7.073 1.00 0.00 H new ATOM 629 N ASN A 48 -7.194 0.384 5.786 1.00 0.00 N ATOM 630 CA ASN A 48 -6.471 1.596 5.419 1.00 0.00 C ATOM 631 C ASN A 48 -5.487 1.996 6.514 1.00 0.00 C ATOM 632 O ASN A 48 -5.630 3.048 7.138 1.00 0.00 O ATOM 633 CB ASN A 48 -7.453 2.740 5.157 1.00 0.00 C ATOM 634 CG ASN A 48 -8.586 2.330 4.237 1.00 0.00 C ATOM 635 OD1 ASN A 48 -9.601 1.796 4.684 1.00 0.00 O ATOM 636 ND2 ASN A 48 -8.418 2.580 2.943 1.00 0.00 N ATOM 0 H ASN A 48 -7.020 -0.413 5.173 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.909 1.392 4.508 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.865 3.085 6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.918 3.581 4.717 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.147 2.327 2.276 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.560 3.025 2.617 1.00 0.00 H new ATOM 643 N VAL A 49 -4.487 1.151 6.741 1.00 0.00 N ATOM 644 CA VAL A 49 -3.477 1.416 7.759 1.00 0.00 C ATOM 645 C VAL A 49 -2.078 1.436 7.153 1.00 0.00 C ATOM 646 O VAL A 49 -1.725 0.572 6.352 1.00 0.00 O ATOM 647 CB VAL A 49 -3.523 0.364 8.882 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.113 -1.002 8.352 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.632 0.784 10.042 1.00 0.00 C ATOM 0 H VAL A 49 -4.354 0.276 6.233 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.701 2.396 8.180 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.547 0.293 9.247 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.152 -1.732 9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.795 -1.304 7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.098 -0.950 7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.677 0.029 10.827 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.604 0.885 9.693 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.976 1.739 10.438 1.00 0.00 H new ATOM 659 N ALA A 50 -1.286 2.430 7.542 1.00 0.00 N ATOM 660 CA ALA A 50 0.076 2.561 7.040 1.00 0.00 C ATOM 661 C ALA A 50 1.061 1.792 7.914 1.00 0.00 C ATOM 662 O ALA A 50 1.123 1.999 9.126 1.00 0.00 O ATOM 663 CB ALA A 50 0.471 4.029 6.963 1.00 0.00 C ATOM 0 H ALA A 50 -1.564 3.156 8.203 1.00 0.00 H new ATOM 0 HA ALA A 50 0.110 2.133 6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.491 4.112 6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.208 4.554 6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.414 4.474 7.956 1.00 0.00 H new ATOM 669 N TYR A 51 1.828 0.904 7.291 1.00 0.00 N ATOM 670 CA TYR A 51 2.808 0.101 8.014 1.00 0.00 C ATOM 671 C TYR A 51 4.157 0.118 7.302 1.00 0.00 C ATOM 672 O TYR A 51 4.228 0.017 6.077 1.00 0.00 O ATOM 673 CB TYR A 51 2.312 -1.339 8.156 1.00 0.00 C ATOM 674 CG TYR A 51 1.443 -1.563 9.373 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.966 -1.452 10.655 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.097 -1.883 9.240 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.176 -1.657 11.769 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.701 -2.088 10.349 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.157 -1.974 11.611 1.00 0.00 C ATOM 680 OH TYR A 51 -0.948 -2.176 12.719 1.00 0.00 O ATOM 0 H TYR A 51 1.790 0.722 6.288 1.00 0.00 H new ATOM 0 HA TYR A 51 2.935 0.534 9.006 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.749 -1.610 7.263 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.172 -2.007 8.206 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.009 -1.201 10.783 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.332 -1.973 8.253 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.600 -1.570 12.759 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.745 -2.336 10.228 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.861 -2.390 12.434 1.00 0.00 H new ATOM 690 N HIS A 52 5.227 0.247 8.080 1.00 0.00 N ATOM 691 CA HIS A 52 6.576 0.277 7.526 1.00 0.00 C ATOM 692 C HIS A 52 6.957 -1.084 6.952 1.00 0.00 C ATOM 693 O HIS A 52 6.327 -2.096 7.259 1.00 0.00 O ATOM 694 CB HIS A 52 7.582 0.690 8.600 1.00 0.00 C ATOM 695 CG HIS A 52 7.409 2.101 9.073 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.932 2.567 10.260 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.766 3.151 8.509 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.617 3.841 10.408 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.910 4.220 9.358 1.00 0.00 N ATOM 0 H HIS A 52 5.186 0.332 9.096 1.00 0.00 H new ATOM 0 HA HIS A 52 6.595 1.010 6.720 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.489 0.016 9.452 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.591 0.569 8.207 1.00 0.00 H new ATOM 0 HD1 HIS A 52 8.477 2.014 10.921 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.238 3.148 7.567 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.891 4.467 11.245 1.00 0.00 H new ATOM 707 N ILE A 53 7.991 -1.100 6.117 1.00 0.00 N ATOM 708 CA ILE A 53 8.456 -2.337 5.501 1.00 0.00 C ATOM 709 C ILE A 53 9.374 -3.109 6.443 1.00 0.00 C ATOM 710 O ILE A 53 9.658 -4.287 6.222 1.00 0.00 O ATOM 711 CB ILE A 53 9.204 -2.063 4.183 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.417 -1.165 4.437 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.270 -1.424 3.167 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.676 -1.642 3.748 1.00 0.00 C ATOM 0 H ILE A 53 8.522 -0.271 5.852 1.00 0.00 H new ATOM 0 HA ILE A 53 7.571 -2.936 5.289 1.00 0.00 H new ATOM 0 HB ILE A 53 9.556 -3.012 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.188 -0.154 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.599 -1.109 5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.813 -1.236 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.435 -2.095 2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.892 -0.482 3.563 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.495 -0.958 3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.930 -2.641 4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.512 -1.672 2.671 1.00 0.00 H new ATOM 726 N TYR A 54 9.833 -2.439 7.494 1.00 0.00 N ATOM 727 CA TYR A 54 10.720 -3.062 8.469 1.00 0.00 C ATOM 728 C TYR A 54 10.055 -3.136 9.841 1.00 0.00 C ATOM 729 O TYR A 54 10.729 -3.154 10.871 1.00 0.00 O ATOM 730 CB TYR A 54 12.032 -2.282 8.568 1.00 0.00 C ATOM 731 CG TYR A 54 11.841 -0.785 8.659 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.565 -0.171 9.874 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.938 0.017 7.528 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.389 1.196 9.961 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.765 1.385 7.605 1.00 0.00 C ATOM 736 CZ TYR A 54 11.490 1.970 8.823 1.00 0.00 C ATOM 737 OH TYR A 54 11.317 3.333 8.906 1.00 0.00 O ATOM 0 H TYR A 54 9.606 -1.465 7.693 1.00 0.00 H new ATOM 0 HA TYR A 54 10.933 -4.077 8.132 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.583 -2.623 9.444 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.647 -2.509 7.697 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.487 -0.774 10.767 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.152 -0.438 6.572 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.174 1.656 10.914 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.845 1.993 6.716 1.00 0.00 H new ATOM 0 HH TYR A 54 11.421 3.731 8.016 1.00 0.00 H new ATOM 747 N CYS A 55 8.727 -3.180 9.845 1.00 0.00 N ATOM 748 CA CYS A 55 7.967 -3.253 11.087 1.00 0.00 C ATOM 749 C CYS A 55 6.829 -4.262 10.971 1.00 0.00 C ATOM 750 O CYS A 55 5.865 -4.219 11.737 1.00 0.00 O ATOM 751 CB CYS A 55 7.408 -1.875 11.449 1.00 0.00 C ATOM 752 SG CYS A 55 8.679 -0.655 11.912 1.00 0.00 S ATOM 0 H CYS A 55 8.154 -3.166 9.001 1.00 0.00 H new ATOM 0 HA CYS A 55 8.641 -3.583 11.877 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.842 -1.490 10.601 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.707 -1.985 12.276 1.00 0.00 H new ATOM 0 HG CYS A 55 9.629 -0.659 11.024 1.00 0.00 H new ATOM 757 N LEU A 56 6.946 -5.169 10.007 1.00 0.00 N ATOM 758 CA LEU A 56 5.927 -6.190 9.790 1.00 0.00 C ATOM 759 C LEU A 56 6.244 -7.453 10.584 1.00 0.00 C ATOM 760 O LEU A 56 7.228 -7.505 11.320 1.00 0.00 O ATOM 761 CB LEU A 56 5.821 -6.523 8.301 1.00 0.00 C ATOM 762 CG LEU A 56 5.027 -5.535 7.447 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.102 -5.918 5.977 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.579 -5.473 7.910 1.00 0.00 C ATOM 0 H LEU A 56 7.736 -5.218 9.364 1.00 0.00 H new ATOM 0 HA LEU A 56 4.972 -5.795 10.137 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.829 -6.596 7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.364 -7.508 8.201 1.00 0.00 H new ATOM 0 HG LEU A 56 5.469 -4.546 7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.531 -5.203 5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.142 -5.910 5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.687 -6.916 5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.029 -4.765 7.291 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.126 -6.460 7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.543 -5.149 8.950 1.00 0.00 H new ATOM 776 N ASN A 57 5.403 -8.471 10.428 1.00 0.00 N ATOM 777 CA ASN A 57 5.594 -9.735 11.129 1.00 0.00 C ATOM 778 C ASN A 57 5.081 -10.904 10.293 1.00 0.00 C ATOM 779 O ASN A 57 3.894 -11.231 10.301 1.00 0.00 O ATOM 780 CB ASN A 57 4.877 -9.706 12.480 1.00 0.00 C ATOM 781 CG ASN A 57 5.041 -11.002 13.250 1.00 0.00 C ATOM 782 OD1 ASN A 57 4.076 -11.545 13.787 1.00 0.00 O ATOM 783 ND2 ASN A 57 6.269 -11.505 13.306 1.00 0.00 N ATOM 0 H ASN A 57 4.583 -8.445 9.822 1.00 0.00 H new ATOM 0 HA ASN A 57 6.663 -9.872 11.295 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.265 -8.881 13.077 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.816 -9.513 12.321 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.441 -12.375 13.809 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.040 -11.021 12.846 1.00 0.00 H new ATOM 790 N PRO A 58 5.996 -11.549 9.555 1.00 0.00 N ATOM 791 CA PRO A 58 7.411 -11.168 9.537 1.00 0.00 C ATOM 792 C PRO A 58 7.644 -9.834 8.836 1.00 0.00 C ATOM 793 O PRO A 58 6.757 -9.287 8.182 1.00 0.00 O ATOM 794 CB PRO A 58 8.075 -12.306 8.757 1.00 0.00 C ATOM 795 CG PRO A 58 6.992 -12.856 7.895 1.00 0.00 C ATOM 796 CD PRO A 58 5.719 -12.701 8.680 1.00 0.00 C ATOM 0 HA PRO A 58 7.809 -11.033 10.543 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.910 -11.942 8.159 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.472 -13.067 9.428 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.935 -12.318 6.949 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.178 -13.903 7.655 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.865 -12.515 8.028 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.490 -13.598 9.256 1.00 0.00 H new ATOM 804 N PRO A 59 8.866 -9.298 8.975 1.00 0.00 N ATOM 805 CA PRO A 59 9.243 -8.021 8.360 1.00 0.00 C ATOM 806 C PRO A 59 9.350 -8.117 6.842 1.00 0.00 C ATOM 807 O PRO A 59 9.056 -9.159 6.254 1.00 0.00 O ATOM 808 CB PRO A 59 10.613 -7.724 8.975 1.00 0.00 C ATOM 809 CG PRO A 59 11.159 -9.058 9.350 1.00 0.00 C ATOM 810 CD PRO A 59 9.972 -9.896 9.740 1.00 0.00 C ATOM 0 HA PRO A 59 8.500 -7.245 8.543 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.264 -7.216 8.264 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.523 -7.074 9.846 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.697 -9.508 8.516 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.865 -8.973 10.176 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.118 -10.945 9.482 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.786 -9.855 10.813 1.00 0.00 H new ATOM 818 N LEU A 60 9.773 -7.026 6.213 1.00 0.00 N ATOM 819 CA LEU A 60 9.919 -6.988 4.762 1.00 0.00 C ATOM 820 C LEU A 60 11.257 -6.371 4.366 1.00 0.00 C ATOM 821 O LEU A 60 11.542 -5.219 4.696 1.00 0.00 O ATOM 822 CB LEU A 60 8.772 -6.193 4.135 1.00 0.00 C ATOM 823 CG LEU A 60 7.677 -7.017 3.458 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.569 -6.112 2.943 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.259 -7.849 2.324 1.00 0.00 C ATOM 0 H LEU A 60 10.021 -6.156 6.685 1.00 0.00 H new ATOM 0 HA LEU A 60 9.888 -8.012 4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.312 -5.583 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.191 -5.508 3.398 1.00 0.00 H new ATOM 0 HG LEU A 60 7.250 -7.695 4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.799 -6.716 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.132 -5.561 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.981 -5.409 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.465 -8.429 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.713 -7.189 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.016 -8.525 2.720 1.00 0.00 H new ATOM 837 N ASP A 61 12.071 -7.143 3.656 1.00 0.00 N ATOM 838 CA ASP A 61 13.378 -6.672 3.212 1.00 0.00 C ATOM 839 C ASP A 61 13.250 -5.356 2.450 1.00 0.00 C ATOM 840 O ASP A 61 14.173 -4.542 2.436 1.00 0.00 O ATOM 841 CB ASP A 61 14.050 -7.724 2.328 1.00 0.00 C ATOM 842 CG ASP A 61 15.125 -8.497 3.066 1.00 0.00 C ATOM 843 OD1 ASP A 61 15.915 -7.864 3.798 1.00 0.00 O ATOM 844 OD2 ASP A 61 15.178 -9.736 2.911 1.00 0.00 O ATOM 0 H ASP A 61 11.849 -8.098 3.375 1.00 0.00 H new ATOM 0 HA ASP A 61 13.995 -6.503 4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.296 -8.419 1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.489 -7.237 1.458 1.00 0.00 H new ATOM 849 N LYS A 62 12.100 -5.155 1.815 1.00 0.00 N ATOM 850 CA LYS A 62 11.850 -3.939 1.050 1.00 0.00 C ATOM 851 C LYS A 62 10.366 -3.791 0.734 1.00 0.00 C ATOM 852 O LYS A 62 9.532 -4.528 1.260 1.00 0.00 O ATOM 853 CB LYS A 62 12.660 -3.953 -0.248 1.00 0.00 C ATOM 854 CG LYS A 62 12.191 -4.997 -1.247 1.00 0.00 C ATOM 855 CD LYS A 62 12.924 -4.871 -2.572 1.00 0.00 C ATOM 856 CE LYS A 62 12.067 -5.358 -3.731 1.00 0.00 C ATOM 857 NZ LYS A 62 11.520 -4.227 -4.530 1.00 0.00 N ATOM 0 H LYS A 62 11.326 -5.819 1.815 1.00 0.00 H new ATOM 0 HA LYS A 62 12.161 -3.088 1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.604 -2.968 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.708 -4.135 -0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.351 -5.993 -0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.119 -4.888 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.204 -3.830 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.848 -5.447 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.662 -6.004 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.245 -5.962 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.240 -4.570 -5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.690 -3.829 -4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.247 -3.490 -4.632 1.00 0.00 H new ATOM 871 N VAL A 63 10.042 -2.834 -0.131 1.00 0.00 N ATOM 872 CA VAL A 63 8.658 -2.592 -0.519 1.00 0.00 C ATOM 873 C VAL A 63 8.206 -3.579 -1.589 1.00 0.00 C ATOM 874 O VAL A 63 8.908 -3.840 -2.565 1.00 0.00 O ATOM 875 CB VAL A 63 8.466 -1.157 -1.047 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.013 -0.917 -1.426 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.931 -0.143 -0.013 1.00 0.00 C ATOM 0 H VAL A 63 10.719 -2.214 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 63 8.051 -2.727 0.376 1.00 0.00 H new ATOM 0 HB VAL A 63 9.075 -1.033 -1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.897 0.102 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.719 -1.622 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.380 -1.058 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.788 0.865 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.351 -0.264 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.987 -0.302 0.203 1.00 0.00 H new ATOM 887 N PRO A 64 7.003 -4.144 -1.402 1.00 0.00 N ATOM 888 CA PRO A 64 6.429 -5.112 -2.341 1.00 0.00 C ATOM 889 C PRO A 64 6.031 -4.469 -3.665 1.00 0.00 C ATOM 890 O PRO A 64 6.174 -3.260 -3.846 1.00 0.00 O ATOM 891 CB PRO A 64 5.191 -5.630 -1.605 1.00 0.00 C ATOM 892 CG PRO A 64 4.819 -4.531 -0.671 1.00 0.00 C ATOM 893 CD PRO A 64 6.111 -3.880 -0.260 1.00 0.00 C ATOM 0 HA PRO A 64 7.141 -5.893 -2.607 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.381 -5.850 -2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.408 -6.552 -1.065 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.158 -3.813 -1.157 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.285 -4.920 0.196 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.985 -2.811 -0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.502 -4.309 0.663 1.00 0.00 H new ATOM 901 N GLU A 65 5.530 -5.285 -4.588 1.00 0.00 N ATOM 902 CA GLU A 65 5.112 -4.794 -5.895 1.00 0.00 C ATOM 903 C GLU A 65 4.096 -5.739 -6.532 1.00 0.00 C ATOM 904 O GLU A 65 3.969 -5.797 -7.754 1.00 0.00 O ATOM 905 CB GLU A 65 6.323 -4.635 -6.817 1.00 0.00 C ATOM 906 CG GLU A 65 7.056 -3.316 -6.636 1.00 0.00 C ATOM 907 CD GLU A 65 7.398 -2.653 -7.956 1.00 0.00 C ATOM 908 OE1 GLU A 65 8.121 -3.274 -8.763 1.00 0.00 O ATOM 909 OE2 GLU A 65 6.941 -1.513 -8.183 1.00 0.00 O ATOM 0 H GLU A 65 5.404 -6.288 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 65 4.641 -3.821 -5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.018 -5.455 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.994 -4.719 -7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.439 -2.640 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.973 -3.488 -6.072 1.00 0.00 H new ATOM 916 N GLU A 66 3.376 -6.476 -5.692 1.00 0.00 N ATOM 917 CA GLU A 66 2.373 -7.419 -6.173 1.00 0.00 C ATOM 918 C GLU A 66 1.055 -6.708 -6.468 1.00 0.00 C ATOM 919 O GLU A 66 0.990 -5.479 -6.475 1.00 0.00 O ATOM 920 CB GLU A 66 2.147 -8.527 -5.142 1.00 0.00 C ATOM 921 CG GLU A 66 3.428 -9.203 -4.685 1.00 0.00 C ATOM 922 CD GLU A 66 3.257 -10.694 -4.469 1.00 0.00 C ATOM 923 OE1 GLU A 66 2.920 -11.399 -5.443 1.00 0.00 O ATOM 924 OE2 GLU A 66 3.458 -11.156 -3.326 1.00 0.00 O ATOM 0 H GLU A 66 3.468 -6.438 -4.677 1.00 0.00 H new ATOM 0 HA GLU A 66 2.742 -7.862 -7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.639 -8.106 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.482 -9.278 -5.568 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.208 -9.035 -5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.766 -8.742 -3.757 1.00 0.00 H new ATOM 931 N GLU A 67 0.008 -7.491 -6.712 1.00 0.00 N ATOM 932 CA GLU A 67 -1.307 -6.936 -7.009 1.00 0.00 C ATOM 933 C GLU A 67 -1.723 -5.922 -5.946 1.00 0.00 C ATOM 934 O GLU A 67 -2.066 -4.783 -6.261 1.00 0.00 O ATOM 935 CB GLU A 67 -2.348 -8.053 -7.099 1.00 0.00 C ATOM 936 CG GLU A 67 -2.864 -8.292 -8.508 1.00 0.00 C ATOM 937 CD GLU A 67 -3.817 -9.470 -8.588 1.00 0.00 C ATOM 938 OE1 GLU A 67 -4.276 -9.935 -7.525 1.00 0.00 O ATOM 939 OE2 GLU A 67 -4.102 -9.925 -9.716 1.00 0.00 O ATOM 0 H GLU A 67 0.045 -8.510 -6.710 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.249 -6.425 -7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.911 -8.977 -6.720 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.189 -7.808 -6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.371 -7.395 -8.862 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.020 -8.466 -9.175 1.00 0.00 H new ATOM 946 N TYR A 68 -1.689 -6.347 -4.688 1.00 0.00 N ATOM 947 CA TYR A 68 -2.065 -5.478 -3.579 1.00 0.00 C ATOM 948 C TYR A 68 -1.340 -5.884 -2.299 1.00 0.00 C ATOM 949 O TYR A 68 -0.702 -6.935 -2.241 1.00 0.00 O ATOM 950 CB TYR A 68 -3.578 -5.525 -3.357 1.00 0.00 C ATOM 951 CG TYR A 68 -4.319 -4.372 -3.994 1.00 0.00 C ATOM 952 CD1 TYR A 68 -4.226 -3.087 -3.472 1.00 0.00 C ATOM 953 CD2 TYR A 68 -5.114 -4.566 -5.117 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.902 -2.030 -4.050 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.792 -3.515 -5.703 1.00 0.00 C ATOM 956 CZ TYR A 68 -5.683 -2.249 -5.166 1.00 0.00 C ATOM 957 OH TYR A 68 -6.359 -1.199 -5.745 1.00 0.00 O ATOM 0 H TYR A 68 -1.405 -7.287 -4.411 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.773 -4.459 -3.834 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.967 -6.461 -3.757 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.780 -5.528 -2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.614 -2.912 -2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.203 -5.556 -5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.820 -1.038 -3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.404 -3.683 -6.577 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.862 -1.522 -6.522 1.00 0.00 H new ATOM 967 N TRP A 69 -1.443 -5.043 -1.277 1.00 0.00 N ATOM 968 CA TRP A 69 -0.797 -5.313 0.003 1.00 0.00 C ATOM 969 C TRP A 69 -1.794 -5.194 1.151 1.00 0.00 C ATOM 970 O TRP A 69 -2.426 -4.153 1.331 1.00 0.00 O ATOM 971 CB TRP A 69 0.370 -4.349 0.222 1.00 0.00 C ATOM 972 CG TRP A 69 1.103 -4.587 1.508 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.216 -5.358 1.686 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.773 -4.052 2.794 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.598 -5.334 3.005 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.730 -4.539 3.706 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.235 -3.207 3.264 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.705 -4.210 5.058 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.259 -2.881 4.607 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.706 -3.381 5.491 1.00 0.00 C ATOM 0 H TRP A 69 -1.967 -4.169 -1.309 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.416 -6.334 -0.018 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.069 -4.441 -0.609 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -0.006 -3.326 0.210 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.721 -5.906 0.905 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.399 -5.828 3.399 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.982 -2.815 2.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.448 -4.595 5.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -1.035 -2.230 4.981 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.661 -3.107 6.535 1.00 0.00 H new ATOM 991 N TYR A 70 -1.929 -6.266 1.924 1.00 0.00 N ATOM 992 CA TYR A 70 -2.851 -6.281 3.054 1.00 0.00 C ATOM 993 C TYR A 70 -2.098 -6.453 4.369 1.00 0.00 C ATOM 994 O TYR A 70 -1.319 -7.392 4.535 1.00 0.00 O ATOM 995 CB TYR A 70 -3.874 -7.407 2.889 1.00 0.00 C ATOM 996 CG TYR A 70 -4.897 -7.142 1.807 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.620 -7.431 0.476 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.139 -6.601 2.115 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.551 -7.190 -0.516 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.076 -6.358 1.130 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.777 -6.654 -0.184 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.708 -6.412 -1.168 1.00 0.00 O ATOM 0 H TYR A 70 -1.412 -7.135 1.789 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.373 -5.324 3.077 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.348 -8.334 2.661 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.391 -7.559 3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.661 -7.851 0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.376 -6.366 3.142 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.320 -7.420 -1.546 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.038 -5.939 1.387 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.518 -6.035 -0.766 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.336 -5.538 5.303 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.681 -5.585 6.605 1.00 0.00 C ATOM 1014 C CYS A 71 -1.842 -6.961 7.245 1.00 0.00 C ATOM 1015 O CYS A 71 -2.778 -7.704 6.951 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.259 -4.510 7.529 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.905 -4.912 8.198 1.00 0.00 S ATOM 0 H CYS A 71 -2.978 -4.755 5.182 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.618 -5.394 6.457 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.570 -4.351 8.359 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.321 -3.570 6.981 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.667 -3.861 8.137 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.907 -7.309 8.141 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.923 -8.596 8.842 1.00 0.00 C ATOM 1024 C PRO A 72 -2.065 -8.695 9.848 1.00 0.00 C ATOM 1025 O PRO A 72 -2.332 -9.764 10.396 1.00 0.00 O ATOM 1026 CB PRO A 72 0.428 -8.625 9.562 1.00 0.00 C ATOM 1027 CG PRO A 72 0.794 -7.192 9.738 1.00 0.00 C ATOM 1028 CD PRO A 72 0.237 -6.472 8.541 1.00 0.00 C ATOM 0 HA PRO A 72 -1.075 -9.431 8.157 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.354 -9.136 10.522 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.178 -9.156 8.976 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.376 -6.793 10.662 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.875 -7.070 9.798 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.075 -5.458 8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.974 -6.391 7.742 1.00 0.00 H new ATOM 1036 N SER A 73 -2.736 -7.572 10.087 1.00 0.00 N ATOM 1037 CA SER A 73 -3.847 -7.532 11.030 1.00 0.00 C ATOM 1038 C SER A 73 -5.159 -7.895 10.340 1.00 0.00 C ATOM 1039 O SER A 73 -6.153 -8.207 10.995 1.00 0.00 O ATOM 1040 CB SER A 73 -3.958 -6.142 11.660 1.00 0.00 C ATOM 1041 OG SER A 73 -4.536 -6.213 12.952 1.00 0.00 O ATOM 0 H SER A 73 -2.529 -6.679 9.641 1.00 0.00 H new ATOM 0 HA SER A 73 -3.653 -8.265 11.813 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.969 -5.689 11.725 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.563 -5.497 11.022 1.00 0.00 H new ATOM 0 HG SER A 73 -4.595 -5.312 13.334 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.152 -7.854 9.012 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.340 -8.178 8.230 1.00 0.00 C ATOM 1049 C CYS A 74 -6.219 -9.566 7.608 1.00 0.00 C ATOM 1050 O CYS A 74 -7.120 -10.396 7.734 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.556 -7.133 7.134 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.434 -5.638 7.694 1.00 0.00 S ATOM 0 H CYS A 74 -4.337 -7.600 8.454 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.199 -8.173 8.901 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.587 -6.842 6.729 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.119 -7.588 6.319 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.583 -4.668 7.852 1.00 0.00 H new ATOM 1057 N LYS A 75 -5.100 -9.812 6.936 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.859 -11.099 6.294 1.00 0.00 C ATOM 1059 C LYS A 75 -5.078 -12.245 7.276 1.00 0.00 C ATOM 1060 O LYS A 75 -4.249 -12.494 8.152 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.434 -11.155 5.737 1.00 0.00 C ATOM 1062 CG LYS A 75 -3.028 -12.534 5.246 1.00 0.00 C ATOM 1063 CD LYS A 75 -1.723 -12.486 4.469 1.00 0.00 C ATOM 1064 CE LYS A 75 -1.194 -13.883 4.182 1.00 0.00 C ATOM 1065 NZ LYS A 75 0.285 -13.960 4.343 1.00 0.00 N ATOM 0 H LYS A 75 -4.345 -9.136 6.822 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.568 -11.207 5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.346 -10.445 4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.737 -10.834 6.511 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.922 -13.208 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.815 -12.942 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.877 -11.954 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.981 -11.924 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.670 -14.597 4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.464 -14.172 3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.607 -14.928 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.741 -13.297 3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.541 -13.709 5.319 1.00 0.00 H new