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= 0.579 USER MOD Set 1.2: A 47 CYS SG : rot -46:sc= 0.395 USER MOD Set 1.3: A 71 CYS SG : rot -136:sc= 0.669 USER MOD Set 1.4: A 74 CYS SG : rot 103:sc= 0.0644 USER MOD Set 2.1: A 29 CYS SG : rot 165:sc= 0.673 USER MOD Set 2.2: A 32 CYS SG : rot -60:sc= 0.728 USER MOD Set 2.3: A 41 GLN : amide:sc= -0.394 K(o=0.42,f=-1.1) USER MOD Set 2.4: A 52 HIS : no HE2:sc= -1.06 K(o=0.42,f=-0.33) USER MOD Set 2.5: A 55 CYS SG : rot 49:sc= 0.482 USER MOD Set 3.1: A 13 CYS SG : rot 161:sc= 0.754 USER MOD Set 3.2: A 16 CYS SG : rot -48:sc= 1.17 USER MOD Set 3.3: A 24 CYS SG : rot 133:sc= -0.308 USER MOD Set 3.4: A 27 CYS SG : rot 144:sc= 0.611 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= -1.29 K(o=-1.3,f=-3.1!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 105:sc= 0.866 USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= 0.146 (180deg=-0.072) USER MOD Single : A 36 HIS : no HD1:sc= -0.225 K(o=-0.22,f=-1.1) USER MOD Single : A 39 ASN : amide:sc= -0.483 K(o=-0.48,f=-2.8!) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc=-0.00436 X(o=-0.0044,f=-0.12) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.743 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= 0.996 F(o=-0.086,f=1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (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+ -160:sc= -0.0164 (180deg=-0.156) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 13 -9.774 12.080 10.808 1.00 0.00 N ATOM 146 CA CYS A 13 -9.198 11.204 11.821 1.00 0.00 C ATOM 147 C CYS A 13 -9.400 11.782 13.219 1.00 0.00 C ATOM 148 O CYS A 13 -9.188 12.973 13.446 1.00 0.00 O ATOM 149 CB CYS A 13 -7.706 10.994 11.554 1.00 0.00 C ATOM 150 SG CYS A 13 -6.943 9.697 12.580 1.00 0.00 S ATOM 0 HA CYS A 13 -9.709 10.243 11.768 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.568 10.739 10.503 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.181 11.934 11.726 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.827 9.314 12.035 1.00 0.00 H new ATOM 155 N ASP A 14 -9.810 10.929 14.151 1.00 0.00 N ATOM 156 CA ASP A 14 -10.040 11.354 15.527 1.00 0.00 C ATOM 157 C ASP A 14 -8.787 11.153 16.374 1.00 0.00 C ATOM 158 O ASP A 14 -8.505 11.936 17.282 1.00 0.00 O ATOM 159 CB ASP A 14 -11.210 10.579 16.134 1.00 0.00 C ATOM 160 CG ASP A 14 -10.789 9.231 16.685 1.00 0.00 C ATOM 161 OD1 ASP A 14 -10.244 9.193 17.809 1.00 0.00 O ATOM 162 OD2 ASP A 14 -11.004 8.214 15.993 1.00 0.00 O ATOM 0 H ASP A 14 -9.990 9.940 13.979 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.284 12.416 15.517 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.658 11.170 16.932 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.979 10.434 15.375 1.00 0.00 H new ATOM 167 N LEU A 15 -8.038 10.098 16.072 1.00 0.00 N ATOM 168 CA LEU A 15 -6.815 9.792 16.806 1.00 0.00 C ATOM 169 C LEU A 15 -5.897 11.009 16.866 1.00 0.00 C ATOM 170 O LEU A 15 -5.620 11.539 17.942 1.00 0.00 O ATOM 171 CB LEU A 15 -6.083 8.619 16.152 1.00 0.00 C ATOM 172 CG LEU A 15 -6.724 7.243 16.334 1.00 0.00 C ATOM 173 CD1 LEU A 15 -7.212 6.700 15.000 1.00 0.00 C ATOM 174 CD2 LEU A 15 -5.739 6.277 16.977 1.00 0.00 C ATOM 0 H LEU A 15 -8.256 9.440 15.324 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.091 9.517 17.824 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.998 8.820 15.084 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.069 8.581 16.551 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.584 7.349 16.996 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.665 5.720 15.150 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.951 7.381 14.579 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.370 6.609 14.314 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.212 5.303 17.099 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.860 6.176 16.340 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.439 6.659 17.953 1.00 0.00 H new ATOM 186 N CYS A 16 -5.430 11.449 15.702 1.00 0.00 N ATOM 187 CA CYS A 16 -4.545 12.604 15.621 1.00 0.00 C ATOM 188 C CYS A 16 -5.344 13.889 15.422 1.00 0.00 C ATOM 189 O CYS A 16 -4.947 14.957 15.885 1.00 0.00 O ATOM 190 CB CYS A 16 -3.547 12.429 14.474 1.00 0.00 C ATOM 191 SG CYS A 16 -4.323 12.241 12.836 1.00 0.00 S ATOM 0 H CYS A 16 -5.650 11.023 14.802 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.999 12.678 16.561 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.880 13.291 14.452 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.929 11.554 14.674 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.271 11.354 12.904 1.00 0.00 H new ATOM 196 N GLY A 17 -6.474 13.775 14.731 1.00 0.00 N ATOM 197 CA GLY A 17 -7.312 14.934 14.483 1.00 0.00 C ATOM 198 C GLY A 17 -7.276 15.376 13.033 1.00 0.00 C ATOM 199 O GLY A 17 -8.299 15.766 12.470 1.00 0.00 O ATOM 0 H GLY A 17 -6.824 12.901 14.339 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.339 14.702 14.764 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.986 15.757 15.119 1.00 0.00 H new ATOM 203 N GLY A 18 -6.094 15.317 12.427 1.00 0.00 N ATOM 204 CA GLY A 18 -5.952 15.719 11.040 1.00 0.00 C ATOM 205 C GLY A 18 -4.796 16.678 10.830 1.00 0.00 C ATOM 206 O GLY A 18 -4.938 17.691 10.145 1.00 0.00 O ATOM 0 H GLY A 18 -5.233 14.998 12.872 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.803 14.834 10.422 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.876 16.190 10.705 1.00 0.00 H new ATOM 210 N ASP A 19 -3.651 16.359 11.422 1.00 0.00 N ATOM 211 CA ASP A 19 -2.466 17.200 11.297 1.00 0.00 C ATOM 212 C ASP A 19 -1.197 16.353 11.284 1.00 0.00 C ATOM 213 O ASP A 19 -1.159 15.240 11.808 1.00 0.00 O ATOM 214 CB ASP A 19 -2.408 18.210 12.445 1.00 0.00 C ATOM 215 CG ASP A 19 -2.684 19.627 11.983 1.00 0.00 C ATOM 216 OD1 ASP A 19 -1.940 20.122 11.111 1.00 0.00 O ATOM 217 OD2 ASP A 19 -3.644 20.242 12.494 1.00 0.00 O ATOM 0 H ASP A 19 -3.518 15.524 11.993 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.531 17.739 10.352 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.135 17.931 13.207 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.424 18.168 12.913 1.00 0.00 H new ATOM 222 N PRO A 20 -0.132 16.891 10.671 1.00 0.00 N ATOM 223 CA PRO A 20 1.158 16.202 10.574 1.00 0.00 C ATOM 224 C PRO A 20 1.863 16.100 11.922 1.00 0.00 C ATOM 225 O PRO A 20 2.330 15.029 12.308 1.00 0.00 O ATOM 226 CB PRO A 20 1.961 17.085 9.616 1.00 0.00 C ATOM 227 CG PRO A 20 1.356 18.439 9.751 1.00 0.00 C ATOM 228 CD PRO A 20 -0.106 18.214 10.025 1.00 0.00 C ATOM 0 HA PRO A 20 1.046 15.173 10.233 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.018 17.096 9.880 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.892 16.721 8.591 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.824 18.996 10.563 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.497 19.022 8.841 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.517 18.987 10.675 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.693 18.225 9.107 1.00 0.00 H new ATOM 236 N GLU A 21 1.936 17.221 12.633 1.00 0.00 N ATOM 237 CA GLU A 21 2.585 17.255 13.938 1.00 0.00 C ATOM 238 C GLU A 21 1.984 16.210 14.873 1.00 0.00 C ATOM 239 O GLU A 21 2.696 15.371 15.426 1.00 0.00 O ATOM 240 CB GLU A 21 2.455 18.647 14.560 1.00 0.00 C ATOM 241 CG GLU A 21 3.468 19.648 14.030 1.00 0.00 C ATOM 242 CD GLU A 21 3.473 20.945 14.817 1.00 0.00 C ATOM 243 OE1 GLU A 21 2.801 21.003 15.868 1.00 0.00 O ATOM 244 OE2 GLU A 21 4.148 21.901 14.381 1.00 0.00 O ATOM 0 H GLU A 21 1.554 18.116 12.328 1.00 0.00 H new ATOM 0 HA GLU A 21 3.641 17.025 13.796 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.450 19.026 14.374 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.569 18.565 15.641 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.463 19.204 14.062 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.248 19.863 12.984 1.00 0.00 H new ATOM 251 N LYS A 22 0.668 16.267 15.046 1.00 0.00 N ATOM 252 CA LYS A 22 -0.032 15.326 15.912 1.00 0.00 C ATOM 253 C LYS A 22 0.236 13.887 15.482 1.00 0.00 C ATOM 254 O LYS A 22 -0.375 13.387 14.537 1.00 0.00 O ATOM 255 CB LYS A 22 -1.536 15.604 15.893 1.00 0.00 C ATOM 256 CG LYS A 22 -1.899 17.017 16.316 1.00 0.00 C ATOM 257 CD LYS A 22 -3.110 17.030 17.235 1.00 0.00 C ATOM 258 CE LYS A 22 -3.026 18.160 18.250 1.00 0.00 C ATOM 259 NZ LYS A 22 -3.440 19.464 17.663 1.00 0.00 N ATOM 0 H LYS A 22 0.064 16.956 14.597 1.00 0.00 H new ATOM 0 HA LYS A 22 0.342 15.459 16.927 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.917 15.426 14.888 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.036 14.896 16.554 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.050 17.475 16.824 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.105 17.621 15.432 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.018 17.139 16.641 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.183 16.076 17.756 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.661 17.928 19.105 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.005 18.238 18.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.369 20.208 18.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.818 19.698 16.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.423 19.398 17.329 1.00 0.00 H new ATOM 273 N LYS A 23 1.151 13.225 16.181 1.00 0.00 N ATOM 274 CA LYS A 23 1.498 11.843 15.873 1.00 0.00 C ATOM 275 C LYS A 23 0.254 10.961 15.854 1.00 0.00 C ATOM 276 O LYS A 23 -0.731 11.244 16.537 1.00 0.00 O ATOM 277 CB LYS A 23 2.500 11.307 16.898 1.00 0.00 C ATOM 278 CG LYS A 23 3.582 10.431 16.290 1.00 0.00 C ATOM 279 CD LYS A 23 4.793 10.327 17.203 1.00 0.00 C ATOM 280 CE LYS A 23 5.676 11.561 17.100 1.00 0.00 C ATOM 281 NZ LYS A 23 6.125 12.034 18.438 1.00 0.00 N ATOM 0 H LYS A 23 1.666 13.624 16.966 1.00 0.00 H new ATOM 0 HA LYS A 23 1.953 11.821 14.883 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.969 12.148 17.409 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.963 10.734 17.654 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.181 9.435 16.100 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.885 10.841 15.327 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.463 10.200 18.234 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.372 9.441 16.942 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.546 11.335 16.484 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.129 12.359 16.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.724 12.876 18.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.296 12.274 19.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.669 11.282 18.907 1.00 0.00 H new ATOM 295 N CYS A 24 0.304 9.891 15.068 1.00 0.00 N ATOM 296 CA CYS A 24 -0.818 8.967 14.960 1.00 0.00 C ATOM 297 C CYS A 24 -0.327 7.530 14.806 1.00 0.00 C ATOM 298 O CYS A 24 0.788 7.290 14.340 1.00 0.00 O ATOM 299 CB CYS A 24 -1.704 9.345 13.772 1.00 0.00 C ATOM 300 SG CYS A 24 -3.454 8.879 13.972 1.00 0.00 S ATOM 0 H CYS A 24 1.111 9.642 14.496 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.403 9.036 15.877 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.642 10.422 13.614 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.312 8.868 12.874 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.211 9.884 13.646 1.00 0.00 H new ATOM 305 N HIS A 25 -1.166 6.578 15.199 1.00 0.00 N ATOM 306 CA HIS A 25 -0.819 5.164 15.104 1.00 0.00 C ATOM 307 C HIS A 25 -1.468 4.526 13.879 1.00 0.00 C ATOM 308 O HIS A 25 -0.958 3.548 13.333 1.00 0.00 O ATOM 309 CB HIS A 25 -1.252 4.424 16.369 1.00 0.00 C ATOM 310 CG HIS A 25 -0.116 4.090 17.286 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.087 3.584 16.841 1.00 0.00 N ATOM 312 CD2 HIS A 25 -0.004 4.192 18.631 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.889 3.389 17.872 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.251 3.751 18.970 1.00 0.00 N ATOM 0 H HIS A 25 -2.092 6.759 15.587 1.00 0.00 H new ATOM 0 HA HIS A 25 0.263 5.088 15.001 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.976 5.036 16.908 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.762 3.503 16.085 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.761 4.553 19.311 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.895 3.000 17.825 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.629 3.710 19.916 1.00 0.00 H new ATOM 322 N SER A 26 -2.596 5.086 13.455 1.00 0.00 N ATOM 323 CA SER A 26 -3.318 4.569 12.298 1.00 0.00 C ATOM 324 C SER A 26 -2.788 5.185 11.007 1.00 0.00 C ATOM 325 O SER A 26 -2.376 4.474 10.089 1.00 0.00 O ATOM 326 CB SER A 26 -4.815 4.854 12.435 1.00 0.00 C ATOM 327 OG SER A 26 -5.552 4.212 11.409 1.00 0.00 O ATOM 0 H SER A 26 -3.030 5.898 13.895 1.00 0.00 H new ATOM 0 HA SER A 26 -3.163 3.491 12.256 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.166 4.511 13.408 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.989 5.929 12.394 1.00 0.00 H new ATOM 0 HG SER A 26 -6.506 4.408 11.520 1.00 0.00 H new ATOM 333 N CYS A 27 -2.801 6.512 10.943 1.00 0.00 N ATOM 334 CA CYS A 27 -2.323 7.226 9.765 1.00 0.00 C ATOM 335 C CYS A 27 -0.893 6.816 9.424 1.00 0.00 C ATOM 336 O CYS A 27 -0.473 6.895 8.270 1.00 0.00 O ATOM 337 CB CYS A 27 -2.390 8.737 9.997 1.00 0.00 C ATOM 338 SG CYS A 27 -4.072 9.369 10.301 1.00 0.00 S ATOM 0 H CYS A 27 -3.138 7.115 11.694 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.968 6.965 8.926 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.758 8.991 10.848 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.974 9.246 9.128 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.023 10.331 11.174 1.00 0.00 H new ATOM 343 N SER A 28 -0.152 6.377 10.436 1.00 0.00 N ATOM 344 CA SER A 28 1.232 5.958 10.244 1.00 0.00 C ATOM 345 C SER A 28 1.466 4.571 10.836 1.00 0.00 C ATOM 346 O SER A 28 0.522 3.880 11.221 1.00 0.00 O ATOM 347 CB SER A 28 2.186 6.967 10.885 1.00 0.00 C ATOM 348 OG SER A 28 2.290 6.754 12.282 1.00 0.00 O ATOM 0 H SER A 28 -0.486 6.302 11.397 1.00 0.00 H new ATOM 0 HA SER A 28 1.428 5.914 9.173 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.171 6.882 10.427 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.831 7.980 10.694 1.00 0.00 H new ATOM 0 HG SER A 28 3.151 6.332 12.485 1.00 0.00 H new ATOM 354 N CYS A 29 2.731 4.171 10.906 1.00 0.00 N ATOM 355 CA CYS A 29 3.092 2.867 11.450 1.00 0.00 C ATOM 356 C CYS A 29 2.474 2.664 12.830 1.00 0.00 C ATOM 357 O CYS A 29 2.634 3.497 13.722 1.00 0.00 O ATOM 358 CB CYS A 29 4.614 2.731 11.535 1.00 0.00 C ATOM 359 SG CYS A 29 5.192 1.032 11.850 1.00 0.00 S ATOM 0 H CYS A 29 3.524 4.731 10.593 1.00 0.00 H new ATOM 0 HA CYS A 29 2.702 2.100 10.780 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.052 3.085 10.602 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.983 3.382 12.328 1.00 0.00 H new ATOM 0 HG CYS A 29 6.464 0.952 11.594 1.00 0.00 H new ATOM 364 N ARG A 30 1.768 1.550 12.997 1.00 0.00 N ATOM 365 CA ARG A 30 1.125 1.237 14.268 1.00 0.00 C ATOM 366 C ARG A 30 2.026 0.359 15.131 1.00 0.00 C ATOM 367 O ARG A 30 1.861 0.291 16.349 1.00 0.00 O ATOM 368 CB ARG A 30 -0.212 0.534 14.027 1.00 0.00 C ATOM 369 CG ARG A 30 -1.266 0.855 15.074 1.00 0.00 C ATOM 370 CD ARG A 30 -2.562 1.328 14.433 1.00 0.00 C ATOM 371 NE ARG A 30 -3.735 0.738 15.072 1.00 0.00 N ATOM 372 CZ ARG A 30 -4.984 1.010 14.709 1.00 0.00 C ATOM 373 NH1 ARG A 30 -5.220 1.859 13.719 1.00 0.00 N ATOM 374 NH2 ARG A 30 -6.000 0.433 15.339 1.00 0.00 N ATOM 0 H ARG A 30 1.627 0.850 12.269 1.00 0.00 H new ATOM 0 HA ARG A 30 0.945 2.173 14.797 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.590 0.817 13.045 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.048 -0.543 14.007 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.460 -0.030 15.680 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.889 1.625 15.747 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.622 2.414 14.496 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.558 1.070 13.374 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.588 0.081 15.839 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.442 2.305 13.234 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.180 2.066 13.442 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.822 -0.220 16.102 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.958 0.642 15.060 1.00 0.00 H new ATOM 388 N VAL A 31 2.979 -0.312 14.492 1.00 0.00 N ATOM 389 CA VAL A 31 3.906 -1.186 15.201 1.00 0.00 C ATOM 390 C VAL A 31 4.845 -0.382 16.093 1.00 0.00 C ATOM 391 O VAL A 31 4.707 -0.382 17.317 1.00 0.00 O ATOM 392 CB VAL A 31 4.743 -2.029 14.221 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.737 -2.897 14.977 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.839 -2.881 13.344 1.00 0.00 C ATOM 0 H VAL A 31 3.129 -0.267 13.484 1.00 0.00 H new ATOM 0 HA VAL A 31 3.304 -1.852 15.819 1.00 0.00 H new ATOM 0 HB VAL A 31 5.304 -1.353 13.576 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.319 -3.485 14.268 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.406 -2.262 15.558 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.199 -3.566 15.648 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.448 -3.470 12.658 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.249 -3.550 13.971 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.171 -2.235 12.774 1.00 0.00 H new ATOM 404 N CYS A 32 5.800 0.303 15.473 1.00 0.00 N ATOM 405 CA CYS A 32 6.763 1.112 16.210 1.00 0.00 C ATOM 406 C CYS A 32 6.153 2.452 16.612 1.00 0.00 C ATOM 407 O CYS A 32 6.575 3.071 17.588 1.00 0.00 O ATOM 408 CB CYS A 32 8.018 1.343 15.366 1.00 0.00 C ATOM 409 SG CYS A 32 7.776 2.489 13.971 1.00 0.00 S ATOM 0 H CYS A 32 5.928 0.314 14.461 1.00 0.00 H new ATOM 0 HA CYS A 32 7.037 0.571 17.116 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.808 1.731 16.008 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.364 0.385 14.979 1.00 0.00 H new ATOM 0 HG CYS A 32 6.862 2.018 13.176 1.00 0.00 H new ATOM 414 N GLY A 33 5.156 2.895 15.850 1.00 0.00 N ATOM 415 CA GLY A 33 4.504 4.158 16.142 1.00 0.00 C ATOM 416 C GLY A 33 5.234 5.341 15.537 1.00 0.00 C ATOM 417 O GLY A 33 5.308 6.409 16.142 1.00 0.00 O ATOM 0 H GLY A 33 4.789 2.401 15.036 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.483 4.132 15.762 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.439 4.289 17.222 1.00 0.00 H new ATOM 421 N GLY A 34 5.778 5.149 14.339 1.00 0.00 N ATOM 422 CA GLY A 34 6.500 6.217 13.673 1.00 0.00 C ATOM 423 C GLY A 34 5.670 6.900 12.604 1.00 0.00 C ATOM 424 O GLY A 34 4.827 6.270 11.964 1.00 0.00 O ATOM 0 H GLY A 34 5.732 4.273 13.818 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.814 6.955 14.412 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.406 5.812 13.222 1.00 0.00 H new ATOM 428 N LYS A 35 5.905 8.193 12.410 1.00 0.00 N ATOM 429 CA LYS A 35 5.173 8.964 11.412 1.00 0.00 C ATOM 430 C LYS A 35 6.117 9.504 10.343 1.00 0.00 C ATOM 431 O LYS A 35 5.916 10.601 9.821 1.00 0.00 O ATOM 432 CB LYS A 35 4.425 10.120 12.079 1.00 0.00 C ATOM 433 CG LYS A 35 3.283 10.669 11.242 1.00 0.00 C ATOM 434 CD LYS A 35 2.477 11.705 12.008 1.00 0.00 C ATOM 435 CE LYS A 35 0.982 11.481 11.843 1.00 0.00 C ATOM 436 NZ LYS A 35 0.262 12.748 11.537 1.00 0.00 N ATOM 0 H LYS A 35 6.598 8.730 12.932 1.00 0.00 H new ATOM 0 HA LYS A 35 4.452 8.301 10.934 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.032 9.782 13.038 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.130 10.925 12.289 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.681 11.117 10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.630 9.852 10.936 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.738 11.662 13.065 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.737 12.703 11.656 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.809 10.762 11.042 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.577 11.045 12.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.654 12.754 12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.832 13.557 11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.104 12.819 10.511 1.00 0.00 H new ATOM 450 N HIS A 36 7.146 8.727 10.020 1.00 0.00 N ATOM 451 CA HIS A 36 8.119 9.128 9.010 1.00 0.00 C ATOM 452 C HIS A 36 8.197 8.094 7.891 1.00 0.00 C ATOM 453 O HIS A 36 7.492 7.086 7.914 1.00 0.00 O ATOM 454 CB HIS A 36 9.498 9.314 9.646 1.00 0.00 C ATOM 455 CG HIS A 36 9.921 8.162 10.505 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.391 7.921 11.755 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.829 7.182 10.287 1.00 0.00 C ATOM 458 CE1 HIS A 36 9.956 6.843 12.269 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.832 6.375 11.398 1.00 0.00 N ATOM 0 H HIS A 36 7.328 7.817 10.443 1.00 0.00 H new ATOM 0 HA HIS A 36 7.793 10.076 8.583 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.236 9.459 8.857 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.492 10.223 10.248 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.438 7.058 9.404 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.739 6.417 13.237 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.416 5.549 11.529 1.00 0.00 H new ATOM 467 N GLU A 37 9.059 8.353 6.912 1.00 0.00 N ATOM 468 CA GLU A 37 9.227 7.446 5.783 1.00 0.00 C ATOM 469 C GLU A 37 7.881 7.120 5.142 1.00 0.00 C ATOM 470 O GLU A 37 7.427 5.975 5.139 1.00 0.00 O ATOM 471 CB GLU A 37 9.914 6.156 6.235 1.00 0.00 C ATOM 472 CG GLU A 37 11.320 6.370 6.770 1.00 0.00 C ATOM 473 CD GLU A 37 12.389 5.859 5.824 1.00 0.00 C ATOM 474 OE1 GLU A 37 12.302 6.156 4.614 1.00 0.00 O ATOM 475 OE2 GLU A 37 13.312 5.161 6.294 1.00 0.00 O ATOM 0 H GLU A 37 9.651 9.183 6.878 1.00 0.00 H new ATOM 0 HA GLU A 37 9.853 7.942 5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.308 5.683 7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.956 5.463 5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.478 7.433 6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.420 5.866 7.731 1.00 0.00 H new ATOM 482 N PRO A 38 7.226 8.150 4.586 1.00 0.00 N ATOM 483 CA PRO A 38 5.923 7.999 3.932 1.00 0.00 C ATOM 484 C PRO A 38 6.019 7.225 2.621 1.00 0.00 C ATOM 485 O PRO A 38 5.045 6.621 2.174 1.00 0.00 O ATOM 486 CB PRO A 38 5.488 9.443 3.670 1.00 0.00 C ATOM 487 CG PRO A 38 6.761 10.215 3.599 1.00 0.00 C ATOM 488 CD PRO A 38 7.707 9.541 4.553 1.00 0.00 C ATOM 0 HA PRO A 38 5.222 7.433 4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.923 9.524 2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.844 9.814 4.468 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.162 10.214 2.585 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.602 11.257 3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.738 9.601 4.206 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.676 10.000 5.541 1.00 0.00 H new ATOM 496 N ASN A 39 7.199 7.249 2.010 1.00 0.00 N ATOM 497 CA ASN A 39 7.421 6.549 0.750 1.00 0.00 C ATOM 498 C ASN A 39 7.569 5.048 0.980 1.00 0.00 C ATOM 499 O ASN A 39 7.246 4.242 0.108 1.00 0.00 O ATOM 500 CB ASN A 39 8.669 7.095 0.053 1.00 0.00 C ATOM 501 CG ASN A 39 9.951 6.647 0.728 1.00 0.00 C ATOM 502 OD1 ASN A 39 10.105 6.779 1.943 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.879 6.115 -0.058 1.00 0.00 N ATOM 0 H ASN A 39 8.016 7.745 2.367 1.00 0.00 H new ATOM 0 HA ASN A 39 6.553 6.717 0.112 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.675 6.766 -0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.629 8.184 0.042 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.762 5.796 0.340 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.709 6.025 -1.060 1.00 0.00 H new ATOM 510 N MET A 40 8.060 4.681 2.159 1.00 0.00 N ATOM 511 CA MET A 40 8.248 3.277 2.504 1.00 0.00 C ATOM 512 C MET A 40 7.104 2.773 3.379 1.00 0.00 C ATOM 513 O MET A 40 7.272 1.831 4.153 1.00 0.00 O ATOM 514 CB MET A 40 9.582 3.082 3.228 1.00 0.00 C ATOM 515 CG MET A 40 10.787 3.510 2.406 1.00 0.00 C ATOM 516 SD MET A 40 11.729 2.108 1.773 1.00 0.00 S ATOM 517 CE MET A 40 12.913 1.871 3.096 1.00 0.00 C ATOM 0 H MET A 40 8.335 5.336 2.891 1.00 0.00 H new ATOM 0 HA MET A 40 8.256 2.700 1.579 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.567 3.649 4.159 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.690 2.031 3.497 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.452 4.125 1.571 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.438 4.133 3.020 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.569 1.036 2.852 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.508 2.776 3.218 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.383 1.657 4.024 1.00 0.00 H new ATOM 527 N GLN A 41 5.943 3.407 3.249 1.00 0.00 N ATOM 528 CA GLN A 41 4.773 3.023 4.029 1.00 0.00 C ATOM 529 C GLN A 41 3.770 2.262 3.167 1.00 0.00 C ATOM 530 O GLN A 41 3.401 2.713 2.081 1.00 0.00 O ATOM 531 CB GLN A 41 4.108 4.261 4.634 1.00 0.00 C ATOM 532 CG GLN A 41 4.503 4.518 6.079 1.00 0.00 C ATOM 533 CD GLN A 41 3.718 5.655 6.704 1.00 0.00 C ATOM 534 OE1 GLN A 41 2.764 6.163 6.116 1.00 0.00 O ATOM 535 NE2 GLN A 41 4.117 6.060 7.904 1.00 0.00 N ATOM 0 H GLN A 41 5.788 4.188 2.612 1.00 0.00 H new ATOM 0 HA GLN A 41 5.104 2.367 4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.369 5.133 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.026 4.147 4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.347 3.610 6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.568 4.747 6.126 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.913 5.610 8.355 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.627 6.821 8.374 1.00 0.00 H new ATOM 544 N LEU A 42 3.333 1.108 3.657 1.00 0.00 N ATOM 545 CA LEU A 42 2.372 0.284 2.931 1.00 0.00 C ATOM 546 C LEU A 42 0.961 0.487 3.473 1.00 0.00 C ATOM 547 O LEU A 42 0.733 0.422 4.682 1.00 0.00 O ATOM 548 CB LEU A 42 2.761 -1.193 3.029 1.00 0.00 C ATOM 549 CG LEU A 42 4.257 -1.499 2.968 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.514 -2.970 3.253 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.826 -1.109 1.611 1.00 0.00 C ATOM 0 H LEU A 42 3.628 0.721 4.553 1.00 0.00 H new ATOM 0 HA LEU A 42 2.386 0.589 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.367 -1.590 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.267 -1.732 2.221 1.00 0.00 H new ATOM 0 HG LEU A 42 4.760 -0.909 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.585 -3.168 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.143 -3.218 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.998 -3.580 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.892 -1.334 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.318 -1.672 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.676 -0.042 1.447 1.00 0.00 H new ATOM 563 N LEU A 43 0.017 0.732 2.572 1.00 0.00 N ATOM 564 CA LEU A 43 -1.374 0.943 2.959 1.00 0.00 C ATOM 565 C LEU A 43 -2.199 -0.320 2.735 1.00 0.00 C ATOM 566 O LEU A 43 -2.063 -0.990 1.711 1.00 0.00 O ATOM 567 CB LEU A 43 -1.974 2.105 2.166 1.00 0.00 C ATOM 568 CG LEU A 43 -2.530 3.266 2.992 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.778 2.834 3.747 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.475 3.787 3.957 1.00 0.00 C ATOM 0 H LEU A 43 0.189 0.790 1.568 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.397 1.186 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.207 2.496 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.776 1.715 1.539 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.802 4.073 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.160 3.673 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.539 2.509 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.531 2.010 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.888 4.613 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.172 2.986 4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.608 4.136 3.395 1.00 0.00 H new ATOM 582 N CYS A 44 -3.057 -0.639 3.699 1.00 0.00 N ATOM 583 CA CYS A 44 -3.906 -1.821 3.607 1.00 0.00 C ATOM 584 C CYS A 44 -5.148 -1.534 2.768 1.00 0.00 C ATOM 585 O CYS A 44 -5.715 -0.443 2.832 1.00 0.00 O ATOM 586 CB CYS A 44 -4.318 -2.288 5.004 1.00 0.00 C ATOM 587 SG CYS A 44 -5.469 -3.700 5.007 1.00 0.00 S ATOM 0 H CYS A 44 -3.182 -0.095 4.553 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.335 -2.612 3.120 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.423 -2.562 5.563 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.781 -1.454 5.532 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.267 -4.422 6.069 1.00 0.00 H new ATOM 592 N ASP A 45 -5.564 -2.520 1.982 1.00 0.00 N ATOM 593 CA ASP A 45 -6.739 -2.376 1.130 1.00 0.00 C ATOM 594 C ASP A 45 -7.990 -2.887 1.839 1.00 0.00 C ATOM 595 O ASP A 45 -8.819 -3.568 1.238 1.00 0.00 O ATOM 596 CB ASP A 45 -6.539 -3.130 -0.185 1.00 0.00 C ATOM 597 CG ASP A 45 -7.087 -2.371 -1.377 1.00 0.00 C ATOM 598 OD1 ASP A 45 -6.644 -1.226 -1.606 1.00 0.00 O ATOM 599 OD2 ASP A 45 -7.959 -2.922 -2.082 1.00 0.00 O ATOM 0 H ASP A 45 -5.105 -3.429 1.917 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.872 -1.316 0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.476 -3.317 -0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.028 -4.102 -0.121 1.00 0.00 H new ATOM 604 N GLU A 46 -8.116 -2.553 3.119 1.00 0.00 N ATOM 605 CA GLU A 46 -9.265 -2.981 3.910 1.00 0.00 C ATOM 606 C GLU A 46 -9.532 -2.006 5.053 1.00 0.00 C ATOM 607 O GLU A 46 -10.590 -1.379 5.114 1.00 0.00 O ATOM 608 CB GLU A 46 -9.033 -4.387 4.468 1.00 0.00 C ATOM 609 CG GLU A 46 -10.285 -5.027 5.043 1.00 0.00 C ATOM 610 CD GLU A 46 -11.402 -5.144 4.024 1.00 0.00 C ATOM 611 OE1 GLU A 46 -11.135 -5.634 2.906 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.542 -4.746 4.343 1.00 0.00 O ATOM 0 H GLU A 46 -7.438 -1.988 3.630 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.138 -2.996 3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.641 -5.024 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.270 -4.339 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.040 -6.019 5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.633 -4.438 5.891 1.00 0.00 H new ATOM 619 N CYS A 47 -8.566 -1.884 5.957 1.00 0.00 N ATOM 620 CA CYS A 47 -8.695 -0.987 7.099 1.00 0.00 C ATOM 621 C CYS A 47 -8.001 0.344 6.826 1.00 0.00 C ATOM 622 O CYS A 47 -8.201 1.319 7.549 1.00 0.00 O ATOM 623 CB CYS A 47 -8.104 -1.635 8.352 1.00 0.00 C ATOM 624 SG CYS A 47 -6.338 -2.057 8.209 1.00 0.00 S ATOM 0 H CYS A 47 -7.684 -2.396 5.921 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.756 -0.797 7.262 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.237 -0.958 9.196 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.666 -2.541 8.579 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.124 -2.648 7.071 1.00 0.00 H new ATOM 629 N ASN A 48 -7.185 0.376 5.778 1.00 0.00 N ATOM 630 CA ASN A 48 -6.461 1.587 5.409 1.00 0.00 C ATOM 631 C ASN A 48 -5.481 1.990 6.506 1.00 0.00 C ATOM 632 O ASN A 48 -5.627 3.042 7.129 1.00 0.00 O ATOM 633 CB ASN A 48 -7.441 2.731 5.140 1.00 0.00 C ATOM 634 CG ASN A 48 -8.577 2.315 4.226 1.00 0.00 C ATOM 635 OD1 ASN A 48 -8.377 1.566 3.270 1.00 0.00 O ATOM 636 ND2 ASN A 48 -9.778 2.802 4.516 1.00 0.00 N ATOM 0 H ASN A 48 -7.008 -0.423 5.169 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.897 1.380 4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.850 3.085 6.086 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.905 3.567 4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.581 2.558 3.936 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.898 3.420 5.319 1.00 0.00 H new ATOM 643 N VAL A 49 -4.480 1.146 6.737 1.00 0.00 N ATOM 644 CA VAL A 49 -3.474 1.414 7.758 1.00 0.00 C ATOM 645 C VAL A 49 -2.073 1.437 7.157 1.00 0.00 C ATOM 646 O VAL A 49 -1.715 0.570 6.359 1.00 0.00 O ATOM 647 CB VAL A 49 -3.521 0.363 8.882 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.111 -1.003 8.354 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.632 0.784 10.043 1.00 0.00 C ATOM 0 H VAL A 49 -4.344 0.271 6.231 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.702 2.394 8.177 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.546 0.292 9.246 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.150 -1.733 9.163 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.793 -1.305 7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.096 -0.951 7.961 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.677 0.029 10.828 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.604 0.885 9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.977 1.740 10.438 1.00 0.00 H new ATOM 659 N ALA A 50 -1.284 2.433 7.545 1.00 0.00 N ATOM 660 CA ALA A 50 0.079 2.567 7.046 1.00 0.00 C ATOM 661 C ALA A 50 1.061 1.793 7.919 1.00 0.00 C ATOM 662 O ALA A 50 1.122 1.996 9.132 1.00 0.00 O ATOM 663 CB ALA A 50 0.474 4.035 6.977 1.00 0.00 C ATOM 0 H ALA A 50 -1.565 3.159 8.204 1.00 0.00 H new ATOM 0 HA ALA A 50 0.115 2.145 6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.494 4.120 6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.204 4.563 6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.415 4.475 7.973 1.00 0.00 H new ATOM 669 N TYR A 51 1.829 0.907 7.295 1.00 0.00 N ATOM 670 CA TYR A 51 2.806 0.100 8.015 1.00 0.00 C ATOM 671 C TYR A 51 4.157 0.118 7.306 1.00 0.00 C ATOM 672 O TYR A 51 4.229 0.029 6.080 1.00 0.00 O ATOM 673 CB TYR A 51 2.309 -1.340 8.152 1.00 0.00 C ATOM 674 CG TYR A 51 1.442 -1.568 9.370 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.968 -1.463 10.651 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.097 -1.890 9.239 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.180 -1.671 11.767 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.699 -2.099 10.348 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.153 -1.988 11.610 1.00 0.00 C ATOM 680 OH TYR A 51 -0.942 -2.197 12.718 1.00 0.00 O ATOM 0 H TYR A 51 1.794 0.730 6.291 1.00 0.00 H new ATOM 0 HA TYR A 51 2.932 0.530 9.009 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.744 -1.607 7.259 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.168 -2.009 8.197 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.011 -1.214 10.777 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.334 -1.978 8.253 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.605 -1.586 12.756 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.743 -2.348 10.228 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.855 -2.410 12.434 1.00 0.00 H new ATOM 690 N HIS A 52 5.226 0.234 8.087 1.00 0.00 N ATOM 691 CA HIS A 52 6.576 0.263 7.535 1.00 0.00 C ATOM 692 C HIS A 52 6.959 -1.099 6.965 1.00 0.00 C ATOM 693 O HIS A 52 6.333 -2.112 7.278 1.00 0.00 O ATOM 694 CB HIS A 52 7.580 0.680 8.610 1.00 0.00 C ATOM 695 CG HIS A 52 7.400 2.089 9.084 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.916 2.554 10.275 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.758 3.138 8.518 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.597 3.828 10.423 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.895 4.207 9.370 1.00 0.00 N ATOM 0 H HIS A 52 5.184 0.309 9.103 1.00 0.00 H new ATOM 0 HA HIS A 52 6.596 0.994 6.727 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.490 0.005 9.461 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.590 0.564 8.217 1.00 0.00 H new ATOM 0 HD1 HIS A 52 8.459 2.001 10.938 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.236 3.135 7.573 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.865 4.453 11.262 1.00 0.00 H new ATOM 707 N ILE A 53 7.990 -1.116 6.127 1.00 0.00 N ATOM 708 CA ILE A 53 8.456 -2.354 5.514 1.00 0.00 C ATOM 709 C ILE A 53 9.371 -3.125 6.460 1.00 0.00 C ATOM 710 O ILE A 53 9.657 -4.302 6.241 1.00 0.00 O ATOM 711 CB ILE A 53 9.209 -2.082 4.198 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.425 -1.189 4.456 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.279 -1.439 3.180 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.685 -1.674 3.774 1.00 0.00 C ATOM 0 H ILE A 53 8.519 -0.287 5.857 1.00 0.00 H new ATOM 0 HA ILE A 53 7.571 -2.953 5.300 1.00 0.00 H new ATOM 0 HB ILE A 53 9.559 -3.032 3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.203 -0.178 4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.602 -1.131 5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.825 -1.253 2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.442 -2.107 2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.903 -0.496 3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.506 -0.994 4.000 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.932 -2.673 4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.526 -1.705 2.696 1.00 0.00 H new ATOM 726 N TYR A 54 9.825 -2.454 7.513 1.00 0.00 N ATOM 727 CA TYR A 54 10.708 -3.076 8.492 1.00 0.00 C ATOM 728 C TYR A 54 10.037 -3.151 9.860 1.00 0.00 C ATOM 729 O TYR A 54 10.707 -3.175 10.893 1.00 0.00 O ATOM 730 CB TYR A 54 12.019 -2.294 8.597 1.00 0.00 C ATOM 731 CG TYR A 54 11.826 -0.797 8.685 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.542 -0.184 9.899 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.927 0.004 7.554 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.364 1.184 9.984 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.752 1.372 7.630 1.00 0.00 C ATOM 736 CZ TYR A 54 11.470 1.957 8.847 1.00 0.00 C ATOM 737 OH TYR A 54 11.294 3.320 8.927 1.00 0.00 O ATOM 0 H TYR A 54 9.596 -1.480 7.710 1.00 0.00 H new ATOM 0 HA TYR A 54 10.924 -4.090 8.157 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.565 -2.634 9.477 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.638 -2.522 7.730 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.459 -0.787 10.791 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.146 -0.451 6.599 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.143 1.645 10.935 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.835 1.980 6.742 1.00 0.00 H new ATOM 0 HH TYR A 54 11.403 3.717 8.038 1.00 0.00 H new ATOM 747 N CYS A 55 8.709 -3.188 9.859 1.00 0.00 N ATOM 748 CA CYS A 55 7.944 -3.261 11.098 1.00 0.00 C ATOM 749 C CYS A 55 6.808 -4.273 10.978 1.00 0.00 C ATOM 750 O CYS A 55 5.841 -4.230 11.739 1.00 0.00 O ATOM 751 CB CYS A 55 7.381 -1.884 11.456 1.00 0.00 C ATOM 752 SG CYS A 55 8.646 -0.663 11.931 1.00 0.00 S ATOM 0 H CYS A 55 8.140 -3.169 9.013 1.00 0.00 H new ATOM 0 HA CYS A 55 8.615 -3.589 11.892 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.822 -1.499 10.603 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.673 -1.995 12.277 1.00 0.00 H new ATOM 0 HG CYS A 55 9.602 -0.664 11.050 1.00 0.00 H new ATOM 757 N LEU A 56 6.933 -5.182 10.017 1.00 0.00 N ATOM 758 CA LEU A 56 5.917 -6.205 9.797 1.00 0.00 C ATOM 759 C LEU A 56 6.232 -7.466 10.595 1.00 0.00 C ATOM 760 O LEU A 56 7.213 -7.515 11.335 1.00 0.00 O ATOM 761 CB LEU A 56 5.819 -6.542 8.307 1.00 0.00 C ATOM 762 CG LEU A 56 5.029 -5.555 7.447 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.110 -5.943 5.979 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.580 -5.489 7.905 1.00 0.00 C ATOM 0 H LEU A 56 7.727 -5.231 9.379 1.00 0.00 H new ATOM 0 HA LEU A 56 4.960 -5.811 10.138 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.829 -6.616 7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.363 -7.527 8.207 1.00 0.00 H new ATOM 0 HG LEU A 56 5.471 -4.565 7.565 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.542 -5.229 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.152 -5.937 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.695 -6.942 5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.033 -4.782 7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.126 -6.476 7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.541 -5.162 8.944 1.00 0.00 H new ATOM 776 N ASN A 57 5.394 -8.486 10.437 1.00 0.00 N ATOM 777 CA ASN A 57 5.584 -9.748 11.141 1.00 0.00 C ATOM 778 C ASN A 57 5.077 -10.919 10.306 1.00 0.00 C ATOM 779 O ASN A 57 3.891 -11.249 10.308 1.00 0.00 O ATOM 780 CB ASN A 57 4.860 -9.718 12.489 1.00 0.00 C ATOM 781 CG ASN A 57 5.822 -9.660 13.660 1.00 0.00 C ATOM 782 OD1 ASN A 57 5.498 -10.382 14.727 1.00 0.00 O flip ATOM 783 ND2 ASN A 57 6.843 -8.976 13.606 1.00 0.00 N flip ATOM 0 H ASN A 57 4.577 -8.462 9.827 1.00 0.00 H new ATOM 0 HA ASN A 57 6.652 -9.882 11.312 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.197 -8.853 12.523 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.232 -10.604 12.581 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.052 -8.437 12.766 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.481 -8.948 14.402 1.00 0.00 H new ATOM 790 N PRO A 58 5.996 -11.565 9.573 1.00 0.00 N ATOM 791 CA PRO A 58 7.411 -11.182 9.561 1.00 0.00 C ATOM 792 C PRO A 58 7.645 -9.849 8.859 1.00 0.00 C ATOM 793 O PRO A 58 6.759 -9.303 8.200 1.00 0.00 O ATOM 794 CB PRO A 58 8.081 -12.319 8.786 1.00 0.00 C ATOM 795 CG PRO A 58 7.002 -12.873 7.920 1.00 0.00 C ATOM 796 CD PRO A 58 5.725 -12.719 8.699 1.00 0.00 C ATOM 0 HA PRO A 58 7.804 -11.046 10.568 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.918 -11.953 8.191 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.477 -13.078 9.460 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.948 -12.337 6.973 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.191 -13.920 7.683 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.874 -12.535 8.043 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.496 -13.615 9.276 1.00 0.00 H new ATOM 804 N PRO A 59 8.865 -9.310 9.000 1.00 0.00 N ATOM 805 CA PRO A 59 9.244 -8.034 8.385 1.00 0.00 C ATOM 806 C PRO A 59 9.356 -8.133 6.868 1.00 0.00 C ATOM 807 O PRO A 59 9.069 -9.177 6.280 1.00 0.00 O ATOM 808 CB PRO A 59 10.611 -7.734 9.005 1.00 0.00 C ATOM 809 CG PRO A 59 11.156 -9.067 9.384 1.00 0.00 C ATOM 810 CD PRO A 59 9.969 -9.905 9.772 1.00 0.00 C ATOM 0 HA PRO A 59 8.500 -7.258 8.564 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.265 -7.226 8.296 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.517 -7.083 9.874 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.697 -9.518 8.552 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.860 -8.980 10.212 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.117 -10.954 9.518 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.779 -9.861 10.844 1.00 0.00 H new ATOM 818 N LEU A 60 9.776 -7.042 6.238 1.00 0.00 N ATOM 819 CA LEU A 60 9.928 -7.006 4.788 1.00 0.00 C ATOM 820 C LEU A 60 11.266 -6.388 4.395 1.00 0.00 C ATOM 821 O LEU A 60 11.549 -5.235 4.723 1.00 0.00 O ATOM 822 CB LEU A 60 8.782 -6.214 4.155 1.00 0.00 C ATOM 823 CG LEU A 60 7.691 -7.040 3.474 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.587 -6.136 2.947 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.280 -7.878 2.349 1.00 0.00 C ATOM 0 H LEU A 60 10.018 -6.170 6.709 1.00 0.00 H new ATOM 0 HA LEU A 60 9.901 -8.031 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.317 -5.604 4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.203 -5.529 3.419 1.00 0.00 H new ATOM 0 HG LEU A 60 7.258 -7.714 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.819 -6.742 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.145 -5.581 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.004 -5.436 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.489 -8.459 1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.740 -7.223 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.033 -8.553 2.754 1.00 0.00 H new ATOM 837 N ASP A 61 12.084 -7.160 3.690 1.00 0.00 N ATOM 838 CA ASP A 61 13.392 -6.688 3.249 1.00 0.00 C ATOM 839 C ASP A 61 13.265 -5.375 2.483 1.00 0.00 C ATOM 840 O ASP A 61 14.187 -4.560 2.470 1.00 0.00 O ATOM 841 CB ASP A 61 14.069 -7.742 2.372 1.00 0.00 C ATOM 842 CG ASP A 61 14.913 -8.711 3.177 1.00 0.00 C ATOM 843 OD1 ASP A 61 15.539 -8.272 4.164 1.00 0.00 O ATOM 844 OD2 ASP A 61 14.947 -9.907 2.820 1.00 0.00 O ATOM 0 H ASP A 61 11.865 -8.116 3.411 1.00 0.00 H new ATOM 0 HA ASP A 61 14.006 -6.514 4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.308 -8.297 1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.697 -7.246 1.632 1.00 0.00 H new ATOM 849 N LYS A 62 12.117 -5.177 1.843 1.00 0.00 N ATOM 850 CA LYS A 62 11.868 -3.964 1.074 1.00 0.00 C ATOM 851 C LYS A 62 10.384 -3.817 0.755 1.00 0.00 C ATOM 852 O LYS A 62 9.551 -4.560 1.274 1.00 0.00 O ATOM 853 CB LYS A 62 12.681 -3.982 -0.223 1.00 0.00 C ATOM 854 CG LYS A 62 12.253 -5.070 -1.193 1.00 0.00 C ATOM 855 CD LYS A 62 13.213 -5.180 -2.366 1.00 0.00 C ATOM 856 CE LYS A 62 12.915 -4.133 -3.429 1.00 0.00 C ATOM 857 NZ LYS A 62 14.008 -3.128 -3.538 1.00 0.00 N ATOM 0 H LYS A 62 11.344 -5.842 1.842 1.00 0.00 H new ATOM 0 HA LYS A 62 12.178 -3.111 1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.589 -3.013 -0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.735 -4.117 0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.204 -6.026 -0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.250 -4.856 -1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.237 -5.060 -2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.142 -6.176 -2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.775 -4.623 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.979 -3.628 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.768 -2.432 -4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.125 -2.642 -2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.896 -3.607 -3.792 1.00 0.00 H new ATOM 871 N VAL A 63 10.060 -2.855 -0.104 1.00 0.00 N ATOM 872 CA VAL A 63 8.677 -2.613 -0.494 1.00 0.00 C ATOM 873 C VAL A 63 8.230 -3.595 -1.571 1.00 0.00 C ATOM 874 O VAL A 63 8.936 -3.847 -2.548 1.00 0.00 O ATOM 875 CB VAL A 63 8.483 -1.176 -1.013 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.031 -0.936 -1.395 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.942 -0.167 0.030 1.00 0.00 C ATOM 0 H VAL A 63 10.737 -2.231 -0.543 1.00 0.00 H new ATOM 0 HA VAL A 63 8.067 -2.754 0.398 1.00 0.00 H new ATOM 0 HB VAL A 63 9.094 -1.046 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.915 0.085 -1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.740 -1.636 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.396 -1.084 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.798 0.843 -0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.359 -0.296 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.998 -0.325 0.249 1.00 0.00 H new ATOM 887 N PRO A 64 7.028 -4.163 -1.392 1.00 0.00 N ATOM 888 CA PRO A 64 6.459 -5.126 -2.340 1.00 0.00 C ATOM 889 C PRO A 64 6.063 -4.475 -3.660 1.00 0.00 C ATOM 890 O PRO A 64 6.274 -3.280 -3.861 1.00 0.00 O ATOM 891 CB PRO A 64 5.220 -5.651 -1.610 1.00 0.00 C ATOM 892 CG PRO A 64 4.843 -4.559 -0.669 1.00 0.00 C ATOM 893 CD PRO A 64 6.133 -3.909 -0.251 1.00 0.00 C ATOM 0 HA PRO A 64 7.174 -5.903 -2.610 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.412 -5.868 -2.308 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.437 -6.576 -1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.182 -3.839 -1.151 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.308 -4.955 0.194 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.005 -2.842 -0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.522 -4.344 0.670 1.00 0.00 H new ATOM 901 N GLU A 65 5.488 -5.270 -4.558 1.00 0.00 N ATOM 902 CA GLU A 65 5.063 -4.769 -5.860 1.00 0.00 C ATOM 903 C GLU A 65 4.055 -5.716 -6.504 1.00 0.00 C ATOM 904 O GLU A 65 3.928 -5.764 -7.727 1.00 0.00 O ATOM 905 CB GLU A 65 6.272 -4.590 -6.781 1.00 0.00 C ATOM 906 CG GLU A 65 6.050 -3.569 -7.885 1.00 0.00 C ATOM 907 CD GLU A 65 7.270 -2.704 -8.133 1.00 0.00 C ATOM 908 OE1 GLU A 65 7.556 -1.825 -7.294 1.00 0.00 O ATOM 909 OE2 GLU A 65 7.940 -2.908 -9.168 1.00 0.00 O ATOM 0 H GLU A 65 5.306 -6.262 -4.408 1.00 0.00 H new ATOM 0 HA GLU A 65 4.583 -3.802 -5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.131 -4.286 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.521 -5.551 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.783 -4.087 -8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.205 -2.932 -7.622 1.00 0.00 H new ATOM 916 N GLU A 66 3.341 -6.467 -5.671 1.00 0.00 N ATOM 917 CA GLU A 66 2.345 -7.413 -6.160 1.00 0.00 C ATOM 918 C GLU A 66 1.025 -6.707 -6.460 1.00 0.00 C ATOM 919 O GLU A 66 0.953 -5.479 -6.463 1.00 0.00 O ATOM 920 CB GLU A 66 2.119 -8.525 -5.134 1.00 0.00 C ATOM 921 CG GLU A 66 3.406 -9.115 -4.582 1.00 0.00 C ATOM 922 CD GLU A 66 3.207 -10.493 -3.982 1.00 0.00 C ATOM 923 OE1 GLU A 66 2.657 -10.580 -2.864 1.00 0.00 O ATOM 924 OE2 GLU A 66 3.600 -11.485 -4.631 1.00 0.00 O ATOM 0 H GLU A 66 3.434 -6.439 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 66 2.721 -7.852 -7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.526 -8.131 -4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.533 -9.320 -5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.146 -9.174 -5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.810 -8.447 -3.822 1.00 0.00 H new ATOM 931 N GLU A 67 -0.016 -7.495 -6.712 1.00 0.00 N ATOM 932 CA GLU A 67 -1.333 -6.945 -7.015 1.00 0.00 C ATOM 933 C GLU A 67 -1.759 -5.938 -5.951 1.00 0.00 C ATOM 934 O GLU A 67 -2.145 -4.812 -6.266 1.00 0.00 O ATOM 935 CB GLU A 67 -2.368 -8.068 -7.114 1.00 0.00 C ATOM 936 CG GLU A 67 -3.060 -8.139 -8.465 1.00 0.00 C ATOM 937 CD GLU A 67 -2.797 -9.446 -9.187 1.00 0.00 C ATOM 938 OE1 GLU A 67 -3.529 -10.424 -8.931 1.00 0.00 O ATOM 939 OE2 GLU A 67 -1.858 -9.489 -10.010 1.00 0.00 O ATOM 0 H GLU A 67 0.027 -8.514 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.273 -6.431 -7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.878 -9.021 -6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.119 -7.928 -6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.134 -8.015 -8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.721 -7.310 -9.087 1.00 0.00 H new ATOM 946 N TYR A 68 -1.689 -6.352 -4.690 1.00 0.00 N ATOM 947 CA TYR A 68 -2.070 -5.488 -3.580 1.00 0.00 C ATOM 948 C TYR A 68 -1.344 -5.893 -2.300 1.00 0.00 C ATOM 949 O TYR A 68 -0.707 -6.945 -2.241 1.00 0.00 O ATOM 950 CB TYR A 68 -3.583 -5.543 -3.360 1.00 0.00 C ATOM 951 CG TYR A 68 -4.329 -4.390 -3.992 1.00 0.00 C ATOM 952 CD1 TYR A 68 -4.268 -3.114 -3.446 1.00 0.00 C ATOM 953 CD2 TYR A 68 -5.094 -4.577 -5.137 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.949 -2.058 -4.020 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.777 -3.526 -5.719 1.00 0.00 C ATOM 956 CZ TYR A 68 -5.702 -2.269 -5.156 1.00 0.00 C ATOM 957 OH TYR A 68 -6.380 -1.220 -5.732 1.00 0.00 O ATOM 0 H TYR A 68 -1.372 -7.281 -4.412 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.783 -4.467 -3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.967 -6.479 -3.766 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.786 -5.553 -2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.678 -2.945 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.156 -5.560 -5.579 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.892 -1.073 -3.582 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.366 -3.688 -6.610 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.861 -1.537 -6.525 1.00 0.00 H new ATOM 967 N TRP A 69 -1.445 -5.050 -1.279 1.00 0.00 N ATOM 968 CA TRP A 69 -0.799 -5.319 0.000 1.00 0.00 C ATOM 969 C TRP A 69 -1.795 -5.202 1.149 1.00 0.00 C ATOM 970 O TRP A 69 -2.429 -4.162 1.329 1.00 0.00 O ATOM 971 CB TRP A 69 0.367 -4.353 0.219 1.00 0.00 C ATOM 972 CG TRP A 69 1.103 -4.591 1.503 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.217 -5.361 1.679 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.775 -4.057 2.791 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.602 -5.337 2.998 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.734 -4.544 3.700 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.234 -3.213 3.263 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.710 -4.216 5.053 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.256 -2.889 4.606 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.711 -3.388 5.488 1.00 0.00 C ATOM 0 H TRP A 69 -1.968 -4.175 -1.312 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.417 -6.340 -0.022 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.065 -4.443 -0.613 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -0.011 -3.331 0.209 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.721 -5.908 0.897 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.404 -5.830 3.390 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.983 -2.821 2.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.453 -4.601 5.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -1.033 -2.240 4.982 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.667 -3.114 6.532 1.00 0.00 H new ATOM 991 N TYR A 70 -1.927 -6.273 1.923 1.00 0.00 N ATOM 992 CA TYR A 70 -2.848 -6.290 3.053 1.00 0.00 C ATOM 993 C TYR A 70 -2.094 -6.461 4.368 1.00 0.00 C ATOM 994 O TYR A 70 -1.316 -7.402 4.534 1.00 0.00 O ATOM 995 CB TYR A 70 -3.870 -7.416 2.888 1.00 0.00 C ATOM 996 CG TYR A 70 -4.891 -7.154 1.804 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.612 -7.444 0.474 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.134 -6.614 2.109 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.541 -7.205 -0.520 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.070 -6.373 1.122 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.769 -6.670 -0.191 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.698 -6.431 -1.177 1.00 0.00 O ATOM 0 H TYR A 70 -1.408 -7.141 1.789 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.371 -5.334 3.077 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.343 -8.343 2.663 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.388 -7.566 3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.652 -7.864 0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.373 -6.378 3.136 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.307 -7.436 -1.549 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.032 -5.954 1.377 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.510 -6.054 -0.777 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.331 -5.546 5.301 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.675 -5.593 6.603 1.00 0.00 C ATOM 1014 C CYS A 71 -1.836 -6.969 7.243 1.00 0.00 C ATOM 1015 O CYS A 71 -2.772 -7.712 6.950 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.252 -4.518 7.527 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.897 -4.919 8.198 1.00 0.00 S ATOM 0 H CYS A 71 -2.973 -4.762 5.180 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.612 -5.403 6.454 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.562 -4.358 8.356 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.314 -3.578 6.979 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.659 -3.868 8.135 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.900 -7.317 8.139 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.916 -8.604 8.840 1.00 0.00 C ATOM 1024 C PRO A 72 -2.057 -8.702 9.847 1.00 0.00 C ATOM 1025 O PRO A 72 -2.323 -9.771 10.396 1.00 0.00 O ATOM 1026 CB PRO A 72 0.435 -8.633 9.559 1.00 0.00 C ATOM 1027 CG PRO A 72 0.802 -7.200 9.734 1.00 0.00 C ATOM 1028 CD PRO A 72 0.245 -6.481 8.537 1.00 0.00 C ATOM 0 HA PRO A 72 -1.069 -9.439 8.156 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.361 -9.143 10.520 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.184 -9.165 8.972 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.385 -6.800 10.658 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.884 -7.079 9.794 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.066 -5.466 8.786 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.982 -6.401 7.737 1.00 0.00 H new ATOM 1036 N SER A 73 -2.728 -7.579 10.085 1.00 0.00 N ATOM 1037 CA SER A 73 -3.838 -7.538 11.029 1.00 0.00 C ATOM 1038 C SER A 73 -5.150 -7.901 10.341 1.00 0.00 C ATOM 1039 O SER A 73 -6.145 -8.212 10.997 1.00 0.00 O ATOM 1040 CB SER A 73 -3.948 -6.149 11.660 1.00 0.00 C ATOM 1041 OG SER A 73 -2.673 -5.541 11.780 1.00 0.00 O ATOM 0 H SER A 73 -2.522 -6.686 9.637 1.00 0.00 H new ATOM 0 HA SER A 73 -3.643 -8.271 11.812 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.598 -5.520 11.052 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.411 -6.229 12.644 1.00 0.00 H new ATOM 0 HG SER A 73 -2.770 -4.654 12.184 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.145 -7.860 9.013 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.333 -8.184 8.232 1.00 0.00 C ATOM 1049 C CYS A 74 -6.214 -9.572 7.611 1.00 0.00 C ATOM 1050 O CYS A 74 -7.115 -10.401 7.738 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.549 -7.139 7.136 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.427 -5.644 7.696 1.00 0.00 S ATOM 0 H CYS A 74 -4.330 -7.605 8.454 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.191 -8.179 8.904 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.580 -6.848 6.731 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.112 -7.594 6.321 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.576 -4.673 7.851 1.00 0.00 H new ATOM 1057 N LYS A 75 -5.096 -9.819 6.938 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.856 -11.107 6.297 1.00 0.00 C ATOM 1059 C LYS A 75 -5.076 -12.252 7.280 1.00 0.00 C ATOM 1060 O LYS A 75 -4.259 -12.485 8.172 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.432 -11.165 5.740 1.00 0.00 C ATOM 1062 CG LYS A 75 -3.026 -12.544 5.249 1.00 0.00 C ATOM 1063 CD LYS A 75 -2.138 -13.255 6.255 1.00 0.00 C ATOM 1064 CE LYS A 75 -0.699 -13.338 5.768 1.00 0.00 C ATOM 1065 NZ LYS A 75 -0.562 -14.245 4.595 1.00 0.00 N ATOM 0 H LYS A 75 -4.341 -9.144 6.822 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.565 -11.215 5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.343 -10.455 4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.735 -10.844 6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.918 -13.142 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.500 -12.453 4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.171 -12.727 7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.521 -14.260 6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.348 -12.341 5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.061 -13.693 6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.430 -14.544 4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.165 -15.082 4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.855 -13.744 3.732 1.00 0.00 H new