USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 378 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 35 CYS SG : rot 118:sc= -0.684 USER MOD Set 1.2: A 36 HIS : no HE2:sc= -3.73 K(o=-6.6,f=-7.4!) USER MOD Set 1.3: A 37 CYS SG : rot 0:sc= 0.7 USER MOD Set 1.4: A 42 HIS : no HD1:sc= -0.413 K(o=-6.6,f=-23!) USER MOD Set 1.5: A 61 CYS SG : rot 127:sc= 0.874 USER MOD Set 1.6: A 64 CYS SG : rot -78:sc= -3.39! USER MOD Set 2.1: A 18 CYS SG : rot 157:sc= 0.545 USER MOD Set 2.2: A 21 CYS SG : rot -66:sc= -0.818 USER MOD Set 2.3: A 23 CYS SG : rot 180:sc= 0 USER MOD Set 2.4: A 45 HIS : no HE2:sc= -4.76 X(o=-5.9,f=-6.1!) USER MOD Set 2.5: A 48 CYS SG : rot -170:sc= -0.825 USER MOD Single : A 22 HIS : no HD1:sc= -0.654 K(o=-0.65,f=-1.7) USER MOD Single : A 29 SER OG : rot 64:sc= -0.0993 USER MOD Single : A 33 THR OG1 : rot 39:sc= 0.367 USER MOD Single : A 46 GLN : amide:sc= 0.454 K(o=0.45,f=-4.9!) USER MOD Single : A 50 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.1!) USER MOD Single : A 51 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.42) USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.09) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 159:sc= 0.431 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N ASP A 16 -10.061 -9.075 -6.796 1.00 0.00 N ATOM 178 CA ASP A 16 -8.919 -8.199 -6.562 1.00 0.00 C ATOM 179 C ASP A 16 -9.297 -6.739 -6.795 1.00 0.00 C ATOM 180 O ASP A 16 -9.493 -6.313 -7.933 1.00 0.00 O ATOM 181 CB ASP A 16 -7.755 -8.589 -7.474 1.00 0.00 C ATOM 182 CG ASP A 16 -7.578 -10.091 -7.577 1.00 0.00 C ATOM 183 OD1 ASP A 16 -8.287 -10.716 -8.393 1.00 0.00 O ATOM 184 OD2 ASP A 16 -6.732 -10.641 -6.841 1.00 0.00 O ATOM 0 HA ASP A 16 -8.611 -8.314 -5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.923 -8.177 -8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.835 -8.143 -7.095 1.00 0.00 H new ATOM 189 N ILE A 17 -9.399 -5.980 -5.709 1.00 0.00 N ATOM 190 CA ILE A 17 -9.754 -4.569 -5.796 1.00 0.00 C ATOM 191 C ILE A 17 -8.922 -3.733 -4.829 1.00 0.00 C ATOM 192 O ILE A 17 -8.384 -4.249 -3.849 1.00 0.00 O ATOM 193 CB ILE A 17 -11.248 -4.344 -5.497 1.00 0.00 C ATOM 194 CG1 ILE A 17 -11.686 -5.199 -4.306 1.00 0.00 C ATOM 195 CG2 ILE A 17 -12.088 -4.666 -6.724 1.00 0.00 C ATOM 196 CD1 ILE A 17 -11.636 -4.464 -2.984 1.00 0.00 C ATOM 0 H ILE A 17 -9.241 -6.318 -4.760 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.546 -4.254 -6.818 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.399 -3.295 -5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.703 -5.553 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -11.047 -6.080 -4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.141 -4.502 -6.497 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.790 -4.019 -7.549 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.935 -5.708 -7.006 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.960 -5.131 -2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.616 -4.133 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.297 -3.598 -3.024 1.00 0.00 H new ATOM 208 N CYS A 18 -8.823 -2.438 -5.110 1.00 0.00 N ATOM 209 CA CYS A 18 -8.058 -1.528 -4.265 1.00 0.00 C ATOM 210 C CYS A 18 -8.251 -1.865 -2.789 1.00 0.00 C ATOM 211 O CYS A 18 -9.222 -2.521 -2.413 1.00 0.00 O ATOM 212 CB CYS A 18 -8.478 -0.080 -4.528 1.00 0.00 C ATOM 213 SG CYS A 18 -7.314 1.161 -3.877 1.00 0.00 S ATOM 0 H CYS A 18 -9.263 -1.995 -5.916 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.003 -1.644 -4.511 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.585 0.067 -5.603 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.459 0.089 -4.084 1.00 0.00 H new ATOM 0 HG CYS A 18 -7.458 2.276 -4.531 1.00 0.00 H new ATOM 218 N ARG A 19 -7.318 -1.412 -1.958 1.00 0.00 N ATOM 219 CA ARG A 19 -7.384 -1.666 -0.524 1.00 0.00 C ATOM 220 C ARG A 19 -7.609 -0.369 0.248 1.00 0.00 C ATOM 221 O ARG A 19 -8.137 -0.382 1.361 1.00 0.00 O ATOM 222 CB ARG A 19 -6.097 -2.340 -0.044 1.00 0.00 C ATOM 223 CG ARG A 19 -4.953 -1.369 0.194 1.00 0.00 C ATOM 224 CD ARG A 19 -3.732 -2.076 0.762 1.00 0.00 C ATOM 225 NE ARG A 19 -2.902 -1.177 1.561 1.00 0.00 N ATOM 226 CZ ARG A 19 -2.075 -1.594 2.514 1.00 0.00 C ATOM 227 NH1 ARG A 19 -1.968 -2.887 2.785 1.00 0.00 N ATOM 228 NH2 ARG A 19 -1.353 -0.715 3.197 1.00 0.00 N ATOM 0 H ARG A 19 -6.508 -0.867 -2.253 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.227 -2.332 -0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.303 -2.880 0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.787 -3.079 -0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.688 -0.880 -0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.275 -0.587 0.882 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.053 -2.916 1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.139 -2.488 -0.055 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.961 -0.175 1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.521 -3.565 2.261 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.332 -3.204 3.517 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.433 0.281 2.991 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.718 -1.035 3.928 1.00 0.00 H new ATOM 242 N ILE A 20 -7.206 0.747 -0.349 1.00 0.00 N ATOM 243 CA ILE A 20 -7.365 2.051 0.282 1.00 0.00 C ATOM 244 C ILE A 20 -8.793 2.565 0.131 1.00 0.00 C ATOM 245 O ILE A 20 -9.369 3.115 1.070 1.00 0.00 O ATOM 246 CB ILE A 20 -6.393 3.087 -0.314 1.00 0.00 C ATOM 247 CG1 ILE A 20 -4.945 2.632 -0.117 1.00 0.00 C ATOM 248 CG2 ILE A 20 -6.617 4.450 0.322 1.00 0.00 C ATOM 249 CD1 ILE A 20 -3.947 3.430 -0.926 1.00 0.00 C ATOM 0 H ILE A 20 -6.767 0.774 -1.269 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.139 1.919 1.340 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.585 3.171 -1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.689 2.709 0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.863 1.580 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.923 5.171 -0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.641 4.775 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.448 4.382 1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.942 3.053 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.178 3.333 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.001 4.480 -0.637 1.00 0.00 H new ATOM 261 N CYS A 21 -9.360 2.380 -1.056 1.00 0.00 N ATOM 262 CA CYS A 21 -10.722 2.822 -1.331 1.00 0.00 C ATOM 263 C CYS A 21 -11.655 1.629 -1.513 1.00 0.00 C ATOM 264 O CYS A 21 -12.864 1.735 -1.302 1.00 0.00 O ATOM 265 CB CYS A 21 -10.751 3.702 -2.582 1.00 0.00 C ATOM 266 SG CYS A 21 -10.567 2.782 -4.143 1.00 0.00 S ATOM 0 H CYS A 21 -8.897 1.927 -1.844 1.00 0.00 H new ATOM 0 HA CYS A 21 -11.068 3.404 -0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.692 4.251 -2.605 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.953 4.441 -2.512 1.00 0.00 H new ATOM 0 HG CYS A 21 -9.375 2.267 -4.205 1.00 0.00 H new ATOM 271 N HIS A 22 -11.086 0.494 -1.906 1.00 0.00 N ATOM 272 CA HIS A 22 -11.867 -0.720 -2.115 1.00 0.00 C ATOM 273 C HIS A 22 -12.800 -0.566 -3.312 1.00 0.00 C ATOM 274 O HIS A 22 -14.003 -0.811 -3.209 1.00 0.00 O ATOM 275 CB HIS A 22 -12.677 -1.054 -0.862 1.00 0.00 C ATOM 276 CG HIS A 22 -11.848 -1.131 0.383 1.00 0.00 C ATOM 277 ND1 HIS A 22 -11.962 -0.229 1.420 1.00 0.00 N ATOM 278 CD2 HIS A 22 -10.890 -2.012 0.756 1.00 0.00 C ATOM 279 CE1 HIS A 22 -11.109 -0.550 2.376 1.00 0.00 C ATOM 280 NE2 HIS A 22 -10.446 -1.629 1.998 1.00 0.00 N ATOM 0 H HIS A 22 -10.087 0.390 -2.086 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.175 -1.537 -2.319 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -13.451 -0.298 -0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -13.184 -2.007 -1.011 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.540 -2.858 0.184 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.976 -0.021 3.308 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.722 -2.101 2.540 1.00 0.00 H new ATOM 288 N CYS A 23 -12.239 -0.159 -4.445 1.00 0.00 N ATOM 289 CA CYS A 23 -13.021 0.029 -5.662 1.00 0.00 C ATOM 290 C CYS A 23 -12.357 -0.661 -6.848 1.00 0.00 C ATOM 291 O CYS A 23 -11.176 -1.003 -6.797 1.00 0.00 O ATOM 292 CB CYS A 23 -13.195 1.520 -5.956 1.00 0.00 C ATOM 293 SG CYS A 23 -14.201 2.401 -4.738 1.00 0.00 S ATOM 0 H CYS A 23 -11.245 0.047 -4.547 1.00 0.00 H new ATOM 0 HA CYS A 23 -14.002 -0.421 -5.507 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.211 1.987 -6.005 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.651 1.635 -6.939 1.00 0.00 H new ATOM 0 HG CYS A 23 -14.288 3.654 -5.072 1.00 0.00 H new ATOM 299 N GLU A 24 -13.125 -0.865 -7.914 1.00 0.00 N ATOM 300 CA GLU A 24 -12.610 -1.518 -9.112 1.00 0.00 C ATOM 301 C GLU A 24 -11.446 -0.729 -9.704 1.00 0.00 C ATOM 302 O GLU A 24 -11.413 0.499 -9.630 1.00 0.00 O ATOM 303 CB GLU A 24 -13.721 -1.670 -10.154 1.00 0.00 C ATOM 304 CG GLU A 24 -14.487 -2.977 -10.041 1.00 0.00 C ATOM 305 CD GLU A 24 -15.447 -3.192 -11.195 1.00 0.00 C ATOM 306 OE1 GLU A 24 -15.084 -2.848 -12.339 1.00 0.00 O ATOM 307 OE2 GLU A 24 -16.560 -3.705 -10.954 1.00 0.00 O ATOM 0 H GLU A 24 -14.105 -0.588 -7.972 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.249 -2.507 -8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.419 -0.839 -10.052 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.285 -1.599 -11.151 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.780 -3.806 -10.002 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.043 -2.988 -9.104 1.00 0.00 H new ATOM 314 N GLY A 25 -10.492 -1.444 -10.292 1.00 0.00 N ATOM 315 CA GLY A 25 -9.339 -0.795 -10.888 1.00 0.00 C ATOM 316 C GLY A 25 -9.692 -0.027 -12.146 1.00 0.00 C ATOM 317 O GLY A 25 -10.275 -0.583 -13.077 1.00 0.00 O ATOM 0 H GLY A 25 -10.497 -2.461 -10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.894 -0.114 -10.163 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.585 -1.546 -11.124 1.00 0.00 H new ATOM 321 N ASP A 26 -9.339 1.253 -12.175 1.00 0.00 N ATOM 322 CA ASP A 26 -9.622 2.099 -13.328 1.00 0.00 C ATOM 323 C ASP A 26 -8.474 2.051 -14.332 1.00 0.00 C ATOM 324 O ASP A 26 -7.382 1.577 -14.019 1.00 0.00 O ATOM 325 CB ASP A 26 -9.866 3.541 -12.882 1.00 0.00 C ATOM 326 CG ASP A 26 -10.846 3.633 -11.729 1.00 0.00 C ATOM 327 OD1 ASP A 26 -11.634 2.682 -11.543 1.00 0.00 O ATOM 328 OD2 ASP A 26 -10.824 4.654 -11.012 1.00 0.00 O ATOM 0 H ASP A 26 -8.856 1.728 -11.412 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.521 1.720 -13.813 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.919 3.992 -12.587 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.245 4.119 -13.724 1.00 0.00 H new ATOM 333 N ASP A 27 -8.730 2.544 -15.539 1.00 0.00 N ATOM 334 CA ASP A 27 -7.719 2.558 -16.589 1.00 0.00 C ATOM 335 C ASP A 27 -6.503 3.375 -16.163 1.00 0.00 C ATOM 336 O ASP A 27 -5.364 3.001 -16.441 1.00 0.00 O ATOM 337 CB ASP A 27 -8.303 3.128 -17.883 1.00 0.00 C ATOM 338 CG ASP A 27 -9.567 2.409 -18.313 1.00 0.00 C ATOM 339 OD1 ASP A 27 -10.491 2.285 -17.482 1.00 0.00 O ATOM 340 OD2 ASP A 27 -9.632 1.969 -19.480 1.00 0.00 O ATOM 0 H ASP A 27 -9.629 2.939 -15.814 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.401 1.530 -16.765 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.520 4.187 -17.745 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.559 3.056 -18.677 1.00 0.00 H new ATOM 345 N GLU A 28 -6.755 4.492 -15.487 1.00 0.00 N ATOM 346 CA GLU A 28 -5.680 5.362 -15.024 1.00 0.00 C ATOM 347 C GLU A 28 -5.215 4.957 -13.628 1.00 0.00 C ATOM 348 O GLU A 28 -4.052 5.145 -13.271 1.00 0.00 O ATOM 349 CB GLU A 28 -6.143 6.821 -15.017 1.00 0.00 C ATOM 350 CG GLU A 28 -6.073 7.488 -16.380 1.00 0.00 C ATOM 351 CD GLU A 28 -7.317 7.245 -17.213 1.00 0.00 C ATOM 352 OE1 GLU A 28 -8.327 7.943 -16.990 1.00 0.00 O ATOM 353 OE2 GLU A 28 -7.278 6.355 -18.089 1.00 0.00 O ATOM 0 H GLU A 28 -7.693 4.815 -15.248 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.841 5.258 -15.711 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.169 6.866 -14.652 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.530 7.385 -14.314 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.932 8.561 -16.249 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.201 7.116 -16.918 1.00 0.00 H new ATOM 360 N SER A 29 -6.133 4.402 -12.843 1.00 0.00 N ATOM 361 CA SER A 29 -5.819 3.974 -11.485 1.00 0.00 C ATOM 362 C SER A 29 -6.002 2.467 -11.334 1.00 0.00 C ATOM 363 O SER A 29 -6.695 1.986 -10.438 1.00 0.00 O ATOM 364 CB SER A 29 -6.706 4.710 -10.478 1.00 0.00 C ATOM 365 OG SER A 29 -8.037 4.226 -10.522 1.00 0.00 O ATOM 0 H SER A 29 -7.100 4.238 -13.124 1.00 0.00 H new ATOM 0 HA SER A 29 -4.775 4.217 -11.286 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.303 4.584 -9.473 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.697 5.778 -10.693 1.00 0.00 H new ATOM 0 HG SER A 29 -8.053 3.288 -10.240 1.00 0.00 H new ATOM 371 N PRO A 30 -5.364 1.702 -12.232 1.00 0.00 N ATOM 372 CA PRO A 30 -5.439 0.238 -12.221 1.00 0.00 C ATOM 373 C PRO A 30 -4.702 -0.371 -11.032 1.00 0.00 C ATOM 374 O PRO A 30 -3.740 0.205 -10.524 1.00 0.00 O ATOM 375 CB PRO A 30 -4.760 -0.163 -13.533 1.00 0.00 C ATOM 376 CG PRO A 30 -3.842 0.968 -13.845 1.00 0.00 C ATOM 377 CD PRO A 30 -4.519 2.207 -13.328 1.00 0.00 C ATOM 0 HA PRO A 30 -6.466 -0.116 -12.131 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.212 -1.099 -13.425 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.491 -0.311 -14.328 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.872 0.826 -13.369 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.663 1.040 -14.918 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.796 2.941 -12.972 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.113 2.693 -14.102 1.00 0.00 H new ATOM 385 N LEU A 31 -5.159 -1.539 -10.595 1.00 0.00 N ATOM 386 CA LEU A 31 -4.542 -2.227 -9.466 1.00 0.00 C ATOM 387 C LEU A 31 -3.128 -2.683 -9.812 1.00 0.00 C ATOM 388 O LEU A 31 -2.939 -3.709 -10.466 1.00 0.00 O ATOM 389 CB LEU A 31 -5.391 -3.431 -9.051 1.00 0.00 C ATOM 390 CG LEU A 31 -6.868 -3.147 -8.775 1.00 0.00 C ATOM 391 CD1 LEU A 31 -7.641 -4.447 -8.620 1.00 0.00 C ATOM 392 CD2 LEU A 31 -7.022 -2.281 -7.534 1.00 0.00 C ATOM 0 H LEU A 31 -5.954 -2.029 -11.005 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.484 -1.526 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.327 -4.184 -9.837 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.952 -3.868 -8.154 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.279 -2.603 -9.626 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.690 -4.225 -8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.559 -5.031 -9.537 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.229 -5.018 -7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.080 -2.089 -7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.595 -2.798 -6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.502 -1.335 -7.684 1.00 0.00 H new ATOM 404 N ILE A 32 -2.139 -1.915 -9.369 1.00 0.00 N ATOM 405 CA ILE A 32 -0.743 -2.242 -9.629 1.00 0.00 C ATOM 406 C ILE A 32 -0.001 -2.554 -8.334 1.00 0.00 C ATOM 407 O ILE A 32 -0.393 -2.107 -7.256 1.00 0.00 O ATOM 408 CB ILE A 32 -0.021 -1.091 -10.356 1.00 0.00 C ATOM 409 CG1 ILE A 32 -0.176 0.213 -9.572 1.00 0.00 C ATOM 410 CG2 ILE A 32 -0.565 -0.934 -11.768 1.00 0.00 C ATOM 411 CD1 ILE A 32 0.912 1.224 -9.859 1.00 0.00 C ATOM 0 H ILE A 32 -2.279 -1.062 -8.828 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.740 -3.124 -10.269 1.00 0.00 H new ATOM 0 HB ILE A 32 1.041 -1.330 -10.420 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.144 0.656 -9.807 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.179 -0.012 -8.505 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.046 -0.117 -12.269 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.408 -1.859 -12.323 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.632 -0.713 -11.725 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.738 2.123 -9.268 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.881 0.800 -9.597 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.902 1.478 -10.919 1.00 0.00 H new ATOM 423 N THR A 33 1.077 -3.325 -8.447 1.00 0.00 N ATOM 424 CA THR A 33 1.875 -3.697 -7.286 1.00 0.00 C ATOM 425 C THR A 33 2.873 -2.601 -6.930 1.00 0.00 C ATOM 426 O THR A 33 3.798 -2.301 -7.685 1.00 0.00 O ATOM 427 CB THR A 33 2.640 -5.013 -7.529 1.00 0.00 C ATOM 428 OG1 THR A 33 3.397 -4.923 -8.741 1.00 0.00 O ATOM 429 CG2 THR A 33 1.679 -6.189 -7.611 1.00 0.00 C ATOM 0 H THR A 33 1.417 -3.703 -9.331 1.00 0.00 H new ATOM 0 HA THR A 33 1.181 -3.836 -6.457 1.00 0.00 H new ATOM 0 HB THR A 33 3.317 -5.175 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.777 -4.024 -8.823 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.241 -7.107 -7.783 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.125 -6.272 -6.676 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.981 -6.032 -8.433 1.00 0.00 H new ATOM 437 N PRO A 34 2.684 -1.987 -5.753 1.00 0.00 N ATOM 438 CA PRO A 34 3.558 -0.915 -5.270 1.00 0.00 C ATOM 439 C PRO A 34 4.945 -1.424 -4.893 1.00 0.00 C ATOM 440 O PRO A 34 5.939 -0.711 -5.035 1.00 0.00 O ATOM 441 CB PRO A 34 2.826 -0.391 -4.032 1.00 0.00 C ATOM 442 CG PRO A 34 2.002 -1.540 -3.564 1.00 0.00 C ATOM 443 CD PRO A 34 1.601 -2.293 -4.802 1.00 0.00 C ATOM 0 HA PRO A 34 3.731 -0.156 -6.033 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.529 -0.069 -3.264 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.203 0.470 -4.275 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.570 -2.177 -2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.125 -1.194 -3.016 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.522 -3.364 -4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.632 -1.963 -5.177 1.00 0.00 H new ATOM 451 N CYS A 35 5.006 -2.661 -4.412 1.00 0.00 N ATOM 452 CA CYS A 35 6.271 -3.266 -4.014 1.00 0.00 C ATOM 453 C CYS A 35 6.209 -4.786 -4.136 1.00 0.00 C ATOM 454 O CYS A 35 5.219 -5.342 -4.612 1.00 0.00 O ATOM 455 CB CYS A 35 6.619 -2.873 -2.577 1.00 0.00 C ATOM 456 SG CYS A 35 5.401 -3.423 -1.339 1.00 0.00 S ATOM 0 H CYS A 35 4.193 -3.265 -4.288 1.00 0.00 H new ATOM 0 HA CYS A 35 7.048 -2.896 -4.683 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.593 -3.291 -2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.713 -1.789 -2.521 1.00 0.00 H new ATOM 0 HG CYS A 35 5.970 -4.240 -0.503 1.00 0.00 H new ATOM 461 N HIS A 36 7.274 -5.453 -3.702 1.00 0.00 N ATOM 462 CA HIS A 36 7.341 -6.909 -3.761 1.00 0.00 C ATOM 463 C HIS A 36 6.246 -7.538 -2.905 1.00 0.00 C ATOM 464 O HIS A 36 5.574 -8.478 -3.332 1.00 0.00 O ATOM 465 CB HIS A 36 8.713 -7.397 -3.295 1.00 0.00 C ATOM 466 CG HIS A 36 8.801 -7.612 -1.815 1.00 0.00 C ATOM 467 ND1 HIS A 36 8.824 -8.864 -1.237 1.00 0.00 N ATOM 468 CD2 HIS A 36 8.874 -6.726 -0.795 1.00 0.00 C ATOM 469 CE1 HIS A 36 8.905 -8.738 0.076 1.00 0.00 C ATOM 470 NE2 HIS A 36 8.938 -7.451 0.370 1.00 0.00 N ATOM 0 H HIS A 36 8.102 -5.008 -3.306 1.00 0.00 H new ATOM 0 HA HIS A 36 7.188 -7.214 -4.796 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.950 -8.331 -3.804 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.469 -6.671 -3.594 1.00 0.00 H new ATOM 0 HD1 HIS A 36 8.785 -9.748 -1.744 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.881 -5.649 -0.881 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.939 -9.550 0.788 1.00 0.00 H new ATOM 478 N CYS A 37 6.073 -7.016 -1.696 1.00 0.00 N ATOM 479 CA CYS A 37 5.061 -7.526 -0.779 1.00 0.00 C ATOM 480 C CYS A 37 3.849 -8.050 -1.544 1.00 0.00 C ATOM 481 O CYS A 37 3.247 -7.332 -2.343 1.00 0.00 O ATOM 482 CB CYS A 37 4.629 -6.431 0.197 1.00 0.00 C ATOM 483 SG CYS A 37 5.938 -5.900 1.347 1.00 0.00 S ATOM 0 H CYS A 37 6.621 -6.239 -1.328 1.00 0.00 H new ATOM 0 HA CYS A 37 5.498 -8.351 -0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.288 -5.566 -0.372 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.777 -6.789 0.774 1.00 0.00 H new ATOM 0 HG CYS A 37 7.025 -6.570 1.106 1.00 0.00 H new ATOM 520 N LEU A 41 -4.715 -7.570 -0.463 1.00 0.00 N ATOM 521 CA LEU A 41 -5.268 -6.498 -1.283 1.00 0.00 C ATOM 522 C LEU A 41 -4.210 -5.440 -1.581 1.00 0.00 C ATOM 523 O LEU A 41 -4.526 -4.343 -2.042 1.00 0.00 O ATOM 524 CB LEU A 41 -6.464 -5.855 -0.579 1.00 0.00 C ATOM 525 CG LEU A 41 -7.695 -6.745 -0.400 1.00 0.00 C ATOM 526 CD1 LEU A 41 -8.187 -7.251 -1.746 1.00 0.00 C ATOM 527 CD2 LEU A 41 -7.381 -7.909 0.528 1.00 0.00 C ATOM 0 HA LEU A 41 -5.600 -6.930 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.141 -5.514 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.759 -4.970 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.488 -6.150 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.063 -7.882 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.452 -6.404 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.399 -7.830 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.268 -8.532 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.573 -8.505 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.077 -7.526 1.502 1.00 0.00 H new ATOM 539 N HIS A 42 -2.952 -5.778 -1.317 1.00 0.00 N ATOM 540 CA HIS A 42 -1.846 -4.858 -1.559 1.00 0.00 C ATOM 541 C HIS A 42 -2.084 -4.045 -2.828 1.00 0.00 C ATOM 542 O HIS A 42 -1.699 -2.879 -2.912 1.00 0.00 O ATOM 543 CB HIS A 42 -0.530 -5.628 -1.672 1.00 0.00 C ATOM 544 CG HIS A 42 0.659 -4.855 -1.191 1.00 0.00 C ATOM 545 ND1 HIS A 42 0.763 -4.354 0.089 1.00 0.00 N ATOM 546 CD2 HIS A 42 1.800 -4.499 -1.827 1.00 0.00 C ATOM 547 CE1 HIS A 42 1.916 -3.722 0.220 1.00 0.00 C ATOM 548 NE2 HIS A 42 2.565 -3.796 -0.928 1.00 0.00 N ATOM 0 H HIS A 42 -2.673 -6.682 -0.936 1.00 0.00 H new ATOM 0 HA HIS A 42 -1.785 -4.171 -0.715 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.609 -6.552 -1.099 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -0.372 -5.911 -2.713 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.060 -4.725 -2.850 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.268 -3.229 1.114 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.484 -3.396 -1.116 1.00 0.00 H new ATOM 556 N PHE A 43 -2.721 -4.669 -3.814 1.00 0.00 N ATOM 557 CA PHE A 43 -3.008 -4.003 -5.079 1.00 0.00 C ATOM 558 C PHE A 43 -3.780 -2.707 -4.849 1.00 0.00 C ATOM 559 O PHE A 43 -5.008 -2.709 -4.765 1.00 0.00 O ATOM 560 CB PHE A 43 -3.809 -4.930 -5.997 1.00 0.00 C ATOM 561 CG PHE A 43 -3.537 -6.388 -5.760 1.00 0.00 C ATOM 562 CD1 PHE A 43 -2.255 -6.898 -5.892 1.00 0.00 C ATOM 563 CD2 PHE A 43 -4.563 -7.249 -5.406 1.00 0.00 C ATOM 564 CE1 PHE A 43 -2.003 -8.240 -5.675 1.00 0.00 C ATOM 565 CE2 PHE A 43 -4.317 -8.592 -5.188 1.00 0.00 C ATOM 566 CZ PHE A 43 -3.034 -9.087 -5.322 1.00 0.00 C ATOM 0 H PHE A 43 -3.048 -5.634 -3.761 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.059 -3.760 -5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.873 -4.739 -5.855 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.578 -4.689 -7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.444 -6.240 -6.167 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.567 -6.866 -5.299 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.000 -8.625 -5.782 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.126 -9.253 -4.914 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.838 -10.135 -5.151 1.00 0.00 H new ATOM 576 N VAL A 44 -3.049 -1.601 -4.748 1.00 0.00 N ATOM 577 CA VAL A 44 -3.663 -0.297 -4.528 1.00 0.00 C ATOM 578 C VAL A 44 -3.745 0.498 -5.826 1.00 0.00 C ATOM 579 O VAL A 44 -3.185 0.098 -6.847 1.00 0.00 O ATOM 580 CB VAL A 44 -2.880 0.523 -3.485 1.00 0.00 C ATOM 581 CG1 VAL A 44 -2.511 -0.343 -2.291 1.00 0.00 C ATOM 582 CG2 VAL A 44 -1.638 1.136 -4.114 1.00 0.00 C ATOM 0 H VAL A 44 -2.031 -1.582 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.670 -0.480 -4.154 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.518 1.333 -3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.959 0.254 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.419 -0.729 -1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.891 -1.176 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.097 1.712 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.995 0.343 -4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.931 1.793 -4.933 1.00 0.00 H new ATOM 592 N HIS A 45 -4.447 1.626 -5.780 1.00 0.00 N ATOM 593 CA HIS A 45 -4.602 2.478 -6.953 1.00 0.00 C ATOM 594 C HIS A 45 -3.464 3.491 -7.043 1.00 0.00 C ATOM 595 O HIS A 45 -3.240 4.270 -6.117 1.00 0.00 O ATOM 596 CB HIS A 45 -5.946 3.207 -6.906 1.00 0.00 C ATOM 597 CG HIS A 45 -7.113 2.332 -7.245 1.00 0.00 C ATOM 598 ND1 HIS A 45 -8.418 2.675 -6.960 1.00 0.00 N ATOM 599 CD2 HIS A 45 -7.167 1.123 -7.852 1.00 0.00 C ATOM 600 CE1 HIS A 45 -9.224 1.714 -7.374 1.00 0.00 C ATOM 601 NE2 HIS A 45 -8.490 0.761 -7.920 1.00 0.00 N ATOM 0 H HIS A 45 -4.917 1.971 -4.943 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.572 1.844 -7.839 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.091 3.621 -5.908 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.919 4.047 -7.599 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -8.714 3.536 -6.501 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.326 0.550 -8.215 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.300 1.708 -7.282 1.00 0.00 H new ATOM 609 N GLN A 46 -2.749 3.471 -8.163 1.00 0.00 N ATOM 610 CA GLN A 46 -1.634 4.387 -8.372 1.00 0.00 C ATOM 611 C GLN A 46 -1.917 5.745 -7.738 1.00 0.00 C ATOM 612 O GLN A 46 -1.043 6.342 -7.111 1.00 0.00 O ATOM 613 CB GLN A 46 -1.359 4.556 -9.868 1.00 0.00 C ATOM 614 CG GLN A 46 -0.280 5.582 -10.176 1.00 0.00 C ATOM 615 CD GLN A 46 1.117 5.059 -9.906 1.00 0.00 C ATOM 616 OE1 GLN A 46 1.560 4.091 -10.524 1.00 0.00 O ATOM 617 NE2 GLN A 46 1.820 5.698 -8.978 1.00 0.00 N ATOM 0 H GLN A 46 -2.922 2.832 -8.939 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.752 3.961 -7.893 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.063 3.594 -10.286 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.282 4.850 -10.368 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.356 5.881 -11.221 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.452 6.475 -9.576 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.414 6.496 -8.490 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.766 5.391 -8.753 1.00 0.00 H new ATOM 626 N ALA A 47 -3.145 6.226 -7.907 1.00 0.00 N ATOM 627 CA ALA A 47 -3.544 7.512 -7.350 1.00 0.00 C ATOM 628 C ALA A 47 -3.690 7.432 -5.834 1.00 0.00 C ATOM 629 O ALA A 47 -3.014 8.150 -5.096 1.00 0.00 O ATOM 630 CB ALA A 47 -4.845 7.981 -7.984 1.00 0.00 C ATOM 0 H ALA A 47 -3.880 5.744 -8.425 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.761 8.236 -7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.131 8.943 -7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.708 8.087 -9.060 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.629 7.250 -7.788 1.00 0.00 H new ATOM 636 N CYS A 48 -4.578 6.556 -5.375 1.00 0.00 N ATOM 637 CA CYS A 48 -4.815 6.383 -3.947 1.00 0.00 C ATOM 638 C CYS A 48 -3.498 6.372 -3.175 1.00 0.00 C ATOM 639 O CYS A 48 -3.355 7.057 -2.161 1.00 0.00 O ATOM 640 CB CYS A 48 -5.580 5.083 -3.690 1.00 0.00 C ATOM 641 SG CYS A 48 -7.350 5.166 -4.114 1.00 0.00 S ATOM 0 H CYS A 48 -5.146 5.955 -5.972 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.414 7.224 -3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.117 4.281 -4.265 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.481 4.818 -2.637 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.952 4.102 -3.672 1.00 0.00 H new ATOM 646 N LEU A 49 -2.540 5.591 -3.661 1.00 0.00 N ATOM 647 CA LEU A 49 -1.235 5.491 -3.018 1.00 0.00 C ATOM 648 C LEU A 49 -0.756 6.859 -2.541 1.00 0.00 C ATOM 649 O LEU A 49 -0.284 7.003 -1.414 1.00 0.00 O ATOM 650 CB LEU A 49 -0.213 4.889 -3.984 1.00 0.00 C ATOM 651 CG LEU A 49 1.194 4.673 -3.424 1.00 0.00 C ATOM 652 CD1 LEU A 49 1.166 3.663 -2.287 1.00 0.00 C ATOM 653 CD2 LEU A 49 2.141 4.216 -4.524 1.00 0.00 C ATOM 0 H LEU A 49 -2.642 5.018 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.334 4.838 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.594 3.930 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.140 5.539 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 49 1.558 5.622 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.175 3.522 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.521 4.031 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.782 2.712 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.137 4.067 -4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.781 3.278 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.184 4.975 -5.306 1.00 0.00 H new ATOM 665 N GLN A 50 -0.884 7.860 -3.406 1.00 0.00 N ATOM 666 CA GLN A 50 -0.466 9.216 -3.072 1.00 0.00 C ATOM 667 C GLN A 50 -1.106 9.676 -1.766 1.00 0.00 C ATOM 668 O GLN A 50 -0.430 10.218 -0.891 1.00 0.00 O ATOM 669 CB GLN A 50 -0.835 10.179 -4.202 1.00 0.00 C ATOM 670 CG GLN A 50 -0.310 9.750 -5.562 1.00 0.00 C ATOM 671 CD GLN A 50 -1.154 10.278 -6.706 1.00 0.00 C ATOM 672 OE1 GLN A 50 -2.175 10.931 -6.489 1.00 0.00 O ATOM 673 NE2 GLN A 50 -0.730 9.997 -7.933 1.00 0.00 N ATOM 0 H GLN A 50 -1.274 7.757 -4.343 1.00 0.00 H new ATOM 0 HA GLN A 50 0.617 9.215 -2.945 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.920 10.268 -4.252 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.444 11.169 -3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.715 10.102 -5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.281 8.661 -5.609 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.122 9.452 -8.066 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.257 10.326 -8.742 1.00 0.00 H new ATOM 682 N GLN A 51 -2.411 9.458 -1.643 1.00 0.00 N ATOM 683 CA GLN A 51 -3.141 9.853 -0.444 1.00 0.00 C ATOM 684 C GLN A 51 -2.560 9.177 0.794 1.00 0.00 C ATOM 685 O GLN A 51 -2.676 9.692 1.906 1.00 0.00 O ATOM 686 CB GLN A 51 -4.623 9.500 -0.585 1.00 0.00 C ATOM 687 CG GLN A 51 -5.421 10.527 -1.370 1.00 0.00 C ATOM 688 CD GLN A 51 -5.499 11.868 -0.667 1.00 0.00 C ATOM 689 OE1 GLN A 51 -5.828 11.942 0.518 1.00 0.00 O ATOM 690 NE2 GLN A 51 -5.197 12.937 -1.394 1.00 0.00 N ATOM 0 H GLN A 51 -2.984 9.010 -2.358 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.041 10.932 -0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.712 8.531 -1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.059 9.395 0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.966 10.662 -2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.430 10.149 -1.535 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.930 12.829 -2.372 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.232 13.866 -0.974 1.00 0.00 H new ATOM 699 N TRP A 52 -1.937 8.022 0.593 1.00 0.00 N ATOM 700 CA TRP A 52 -1.338 7.275 1.694 1.00 0.00 C ATOM 701 C TRP A 52 0.084 7.753 1.966 1.00 0.00 C ATOM 702 O TRP A 52 0.537 7.760 3.111 1.00 0.00 O ATOM 703 CB TRP A 52 -1.335 5.778 1.380 1.00 0.00 C ATOM 704 CG TRP A 52 -0.619 4.957 2.408 1.00 0.00 C ATOM 705 CD1 TRP A 52 -1.182 4.261 3.440 1.00 0.00 C ATOM 706 CD2 TRP A 52 0.794 4.747 2.506 1.00 0.00 C ATOM 707 NE1 TRP A 52 -0.205 3.632 4.173 1.00 0.00 N ATOM 708 CE2 TRP A 52 1.016 3.914 3.619 1.00 0.00 C ATOM 709 CE3 TRP A 52 1.893 5.181 1.759 1.00 0.00 C ATOM 710 CZ2 TRP A 52 2.292 3.508 4.003 1.00 0.00 C ATOM 711 CZ3 TRP A 52 3.159 4.778 2.142 1.00 0.00 C ATOM 712 CH2 TRP A 52 3.350 3.948 3.254 1.00 0.00 C ATOM 0 H TRP A 52 -1.833 7.582 -0.321 1.00 0.00 H new ATOM 0 HA TRP A 52 -1.937 7.450 2.587 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.364 5.429 1.299 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.867 5.619 0.408 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.240 4.212 3.649 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.363 3.050 4.996 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.756 5.819 0.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.441 2.869 4.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.016 5.109 1.574 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.352 3.649 3.526 1.00 0.00 H new ATOM 723 N ILE A 53 0.782 8.151 0.908 1.00 0.00 N ATOM 724 CA ILE A 53 2.153 8.632 1.035 1.00 0.00 C ATOM 725 C ILE A 53 2.194 10.012 1.681 1.00 0.00 C ATOM 726 O ILE A 53 3.058 10.297 2.510 1.00 0.00 O ATOM 727 CB ILE A 53 2.855 8.697 -0.335 1.00 0.00 C ATOM 728 CG1 ILE A 53 2.943 7.301 -0.954 1.00 0.00 C ATOM 729 CG2 ILE A 53 4.241 9.307 -0.190 1.00 0.00 C ATOM 730 CD1 ILE A 53 3.418 7.306 -2.390 1.00 0.00 C ATOM 0 H ILE A 53 0.422 8.150 -0.046 1.00 0.00 H new ATOM 0 HA ILE A 53 2.680 7.921 1.671 1.00 0.00 H new ATOM 0 HB ILE A 53 2.268 9.331 -0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.621 6.690 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.962 6.828 -0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.725 9.347 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.154 10.316 0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.838 8.696 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.456 6.283 -2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.728 7.890 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.413 7.749 -2.443 1.00 0.00 H new ATOM 742 N LYS A 54 1.251 10.867 1.298 1.00 0.00 N ATOM 743 CA LYS A 54 1.176 12.218 1.841 1.00 0.00 C ATOM 744 C LYS A 54 1.001 12.186 3.356 1.00 0.00 C ATOM 745 O LYS A 54 1.604 12.981 4.077 1.00 0.00 O ATOM 746 CB LYS A 54 0.017 12.984 1.200 1.00 0.00 C ATOM 747 CG LYS A 54 -1.349 12.561 1.712 1.00 0.00 C ATOM 748 CD LYS A 54 -2.467 13.275 0.971 1.00 0.00 C ATOM 749 CE LYS A 54 -2.857 14.571 1.664 1.00 0.00 C ATOM 750 NZ LYS A 54 -3.629 14.322 2.913 1.00 0.00 N ATOM 0 H LYS A 54 0.528 10.648 0.613 1.00 0.00 H new ATOM 0 HA LYS A 54 2.112 12.728 1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.151 14.050 1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.051 12.841 0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.464 11.483 1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.422 12.777 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.150 13.488 -0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.336 12.621 0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.958 15.141 1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.452 15.181 0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.076 15.207 3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.364 13.609 2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.987 13.976 3.655 1.00 0.00 H new ATOM 764 N SER A 55 0.173 11.261 3.833 1.00 0.00 N ATOM 765 CA SER A 55 -0.082 11.127 5.262 1.00 0.00 C ATOM 766 C SER A 55 1.060 10.387 5.951 1.00 0.00 C ATOM 767 O SER A 55 1.748 10.943 6.807 1.00 0.00 O ATOM 768 CB SER A 55 -1.401 10.388 5.499 1.00 0.00 C ATOM 769 OG SER A 55 -2.486 11.295 5.585 1.00 0.00 O ATOM 0 H SER A 55 -0.332 10.594 3.250 1.00 0.00 H new ATOM 0 HA SER A 55 -0.153 12.128 5.689 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.577 9.682 4.687 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.335 9.807 6.419 1.00 0.00 H new ATOM 0 HG SER A 55 -3.317 10.798 5.735 1.00 0.00 H new ATOM 775 N SER A 56 1.256 9.128 5.571 1.00 0.00 N ATOM 776 CA SER A 56 2.311 8.309 6.154 1.00 0.00 C ATOM 777 C SER A 56 3.678 8.954 5.944 1.00 0.00 C ATOM 778 O SER A 56 4.585 8.792 6.761 1.00 0.00 O ATOM 779 CB SER A 56 2.297 6.908 5.540 1.00 0.00 C ATOM 780 OG SER A 56 1.303 6.097 6.143 1.00 0.00 O ATOM 0 H SER A 56 0.697 8.654 4.862 1.00 0.00 H new ATOM 0 HA SER A 56 2.125 8.231 7.225 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.112 6.979 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.275 6.443 5.664 1.00 0.00 H new ATOM 0 HG SER A 56 1.077 5.356 5.543 1.00 0.00 H new ATOM 786 N ASP A 57 3.817 9.686 4.845 1.00 0.00 N ATOM 787 CA ASP A 57 5.072 10.357 4.527 1.00 0.00 C ATOM 788 C ASP A 57 6.197 9.344 4.334 1.00 0.00 C ATOM 789 O ASP A 57 7.330 9.570 4.760 1.00 0.00 O ATOM 790 CB ASP A 57 5.442 11.345 5.634 1.00 0.00 C ATOM 791 CG ASP A 57 4.404 12.436 5.807 1.00 0.00 C ATOM 792 OD1 ASP A 57 3.909 12.951 4.783 1.00 0.00 O ATOM 793 OD2 ASP A 57 4.087 12.775 6.967 1.00 0.00 O ATOM 0 H ASP A 57 3.076 9.830 4.159 1.00 0.00 H new ATOM 0 HA ASP A 57 4.936 10.904 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.558 10.806 6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.407 11.798 5.405 1.00 0.00 H new ATOM 798 N THR A 58 5.876 8.226 3.691 1.00 0.00 N ATOM 799 CA THR A 58 6.857 7.177 3.445 1.00 0.00 C ATOM 800 C THR A 58 6.774 6.673 2.009 1.00 0.00 C ATOM 801 O THR A 58 6.141 5.653 1.735 1.00 0.00 O ATOM 802 CB THR A 58 6.664 5.990 4.406 1.00 0.00 C ATOM 803 OG1 THR A 58 6.798 6.430 5.762 1.00 0.00 O ATOM 804 CG2 THR A 58 7.679 4.893 4.122 1.00 0.00 C ATOM 0 H THR A 58 4.943 8.024 3.331 1.00 0.00 H new ATOM 0 HA THR A 58 7.839 7.617 3.617 1.00 0.00 H new ATOM 0 HB THR A 58 5.663 5.586 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.672 5.669 6.367 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.523 4.065 4.813 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.556 4.539 3.098 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.687 5.288 4.250 1.00 0.00 H new ATOM 812 N ARG A 59 7.417 7.393 1.095 1.00 0.00 N ATOM 813 CA ARG A 59 7.414 7.017 -0.314 1.00 0.00 C ATOM 814 C ARG A 59 7.704 5.528 -0.480 1.00 0.00 C ATOM 815 O ARG A 59 7.095 4.857 -1.315 1.00 0.00 O ATOM 816 CB ARG A 59 8.450 7.838 -1.084 1.00 0.00 C ATOM 817 CG ARG A 59 8.004 9.261 -1.376 1.00 0.00 C ATOM 818 CD ARG A 59 7.814 10.059 -0.096 1.00 0.00 C ATOM 819 NE ARG A 59 7.508 11.462 -0.365 1.00 0.00 N ATOM 820 CZ ARG A 59 8.435 12.387 -0.585 1.00 0.00 C ATOM 821 NH1 ARG A 59 9.720 12.060 -0.569 1.00 0.00 N ATOM 822 NH2 ARG A 59 8.078 13.643 -0.824 1.00 0.00 N ATOM 0 H ARG A 59 7.946 8.239 1.305 1.00 0.00 H new ATOM 0 HA ARG A 59 6.423 7.224 -0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.377 7.867 -0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.673 7.336 -2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.744 9.753 -2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.069 9.243 -1.937 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.007 9.618 0.490 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.719 9.995 0.509 1.00 0.00 H new ATOM 0 HE ARG A 59 6.529 11.747 -0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.999 11.096 -0.387 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.430 12.773 -0.738 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.091 13.899 -0.839 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.791 14.353 -0.993 1.00 0.00 H new ATOM 836 N CYS A 60 8.635 5.019 0.318 1.00 0.00 N ATOM 837 CA CYS A 60 9.007 3.610 0.259 1.00 0.00 C ATOM 838 C CYS A 60 8.153 2.782 1.214 1.00 0.00 C ATOM 839 O CYS A 60 7.355 3.324 1.980 1.00 0.00 O ATOM 840 CB CYS A 60 10.488 3.436 0.598 1.00 0.00 C ATOM 841 SG CYS A 60 11.582 4.595 -0.256 1.00 0.00 S ATOM 0 H CYS A 60 9.147 5.561 1.014 1.00 0.00 H new ATOM 0 HA CYS A 60 8.831 3.256 -0.757 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.620 3.554 1.674 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.789 2.418 0.350 1.00 0.00 H new ATOM 0 HG CYS A 60 12.813 4.371 0.097 1.00 0.00 H new ATOM 847 N CYS A 61 8.324 1.465 1.162 1.00 0.00 N ATOM 848 CA CYS A 61 7.569 0.561 2.021 1.00 0.00 C ATOM 849 C CYS A 61 8.014 0.692 3.474 1.00 0.00 C ATOM 850 O CYS A 61 9.037 1.310 3.767 1.00 0.00 O ATOM 851 CB CYS A 61 7.742 -0.885 1.551 1.00 0.00 C ATOM 852 SG CYS A 61 6.517 -2.043 2.243 1.00 0.00 S ATOM 0 H CYS A 61 8.979 1.000 0.534 1.00 0.00 H new ATOM 0 HA CYS A 61 6.516 0.834 1.957 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.678 -0.912 0.463 1.00 0.00 H new ATOM 0 HB3 CYS A 61 8.742 -1.226 1.820 1.00 0.00 H new ATOM 0 HG CYS A 61 5.936 -2.689 1.276 1.00 0.00 H new ATOM 857 N GLU A 62 7.237 0.106 4.380 1.00 0.00 N ATOM 858 CA GLU A 62 7.552 0.158 5.803 1.00 0.00 C ATOM 859 C GLU A 62 8.461 -1.000 6.202 1.00 0.00 C ATOM 860 O GLU A 62 9.323 -0.857 7.070 1.00 0.00 O ATOM 861 CB GLU A 62 6.267 0.122 6.634 1.00 0.00 C ATOM 862 CG GLU A 62 5.270 -0.926 6.167 1.00 0.00 C ATOM 863 CD GLU A 62 4.302 -1.337 7.259 1.00 0.00 C ATOM 864 OE1 GLU A 62 3.289 -0.633 7.451 1.00 0.00 O ATOM 865 OE2 GLU A 62 4.558 -2.364 7.922 1.00 0.00 O ATOM 0 H GLU A 62 6.386 -0.409 4.154 1.00 0.00 H new ATOM 0 HA GLU A 62 8.077 1.093 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.523 -0.071 7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.794 1.103 6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.709 -0.536 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.810 -1.805 5.816 1.00 0.00 H new ATOM 872 N LEU A 63 8.262 -2.148 5.563 1.00 0.00 N ATOM 873 CA LEU A 63 9.064 -3.333 5.851 1.00 0.00 C ATOM 874 C LEU A 63 10.159 -3.516 4.805 1.00 0.00 C ATOM 875 O LEU A 63 11.345 -3.363 5.099 1.00 0.00 O ATOM 876 CB LEU A 63 8.173 -4.576 5.898 1.00 0.00 C ATOM 877 CG LEU A 63 6.963 -4.499 6.829 1.00 0.00 C ATOM 878 CD1 LEU A 63 5.835 -5.378 6.310 1.00 0.00 C ATOM 879 CD2 LEU A 63 7.351 -4.905 8.243 1.00 0.00 C ATOM 0 H LEU A 63 7.553 -2.284 4.843 1.00 0.00 H new ATOM 0 HA LEU A 63 9.536 -3.196 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.817 -4.782 4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.785 -5.426 6.200 1.00 0.00 H new ATOM 0 HG LEU A 63 6.611 -3.468 6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.982 -5.311 6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.539 -5.041 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.175 -6.412 6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.477 -4.844 8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.728 -5.928 8.237 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.126 -4.234 8.614 1.00 0.00 H new ATOM 891 N CYS A 64 9.753 -3.844 3.583 1.00 0.00 N ATOM 892 CA CYS A 64 10.699 -4.047 2.492 1.00 0.00 C ATOM 893 C CYS A 64 11.404 -2.743 2.133 1.00 0.00 C ATOM 894 O CYS A 64 12.430 -2.745 1.452 1.00 0.00 O ATOM 895 CB CYS A 64 9.979 -4.605 1.263 1.00 0.00 C ATOM 896 SG CYS A 64 8.911 -3.397 0.414 1.00 0.00 S ATOM 0 H CYS A 64 8.775 -3.975 3.323 1.00 0.00 H new ATOM 0 HA CYS A 64 11.449 -4.765 2.824 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.722 -4.976 0.557 1.00 0.00 H new ATOM 0 HB3 CYS A 64 9.373 -5.459 1.567 1.00 0.00 H new ATOM 0 HG CYS A 64 7.797 -3.266 1.071 1.00 0.00 H new ATOM 901 N LYS A 65 10.847 -1.629 2.597 1.00 0.00 N ATOM 902 CA LYS A 65 11.422 -0.316 2.328 1.00 0.00 C ATOM 903 C LYS A 65 11.687 -0.134 0.837 1.00 0.00 C ATOM 904 O LYS A 65 12.745 0.354 0.440 1.00 0.00 O ATOM 905 CB LYS A 65 12.722 -0.135 3.114 1.00 0.00 C ATOM 906 CG LYS A 65 12.526 -0.123 4.620 1.00 0.00 C ATOM 907 CD LYS A 65 11.862 1.162 5.085 1.00 0.00 C ATOM 908 CE LYS A 65 12.306 1.541 6.490 1.00 0.00 C ATOM 909 NZ LYS A 65 13.622 2.237 6.487 1.00 0.00 N ATOM 0 H LYS A 65 9.998 -1.609 3.161 1.00 0.00 H new ATOM 0 HA LYS A 65 10.704 0.440 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.410 -0.939 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.193 0.800 2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.916 -0.977 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.491 -0.235 5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.106 1.970 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.779 1.041 5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.555 2.186 6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.371 0.643 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.889 2.478 7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.344 1.612 6.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.553 3.107 5.922 1.00 0.00 H new ATOM 923 N TYR A 66 10.719 -0.527 0.016 1.00 0.00 N ATOM 924 CA TYR A 66 10.849 -0.407 -1.431 1.00 0.00 C ATOM 925 C TYR A 66 10.088 0.810 -1.948 1.00 0.00 C ATOM 926 O TYR A 66 8.903 0.980 -1.663 1.00 0.00 O ATOM 927 CB TYR A 66 10.334 -1.674 -2.117 1.00 0.00 C ATOM 928 CG TYR A 66 10.387 -1.609 -3.627 1.00 0.00 C ATOM 929 CD1 TYR A 66 11.603 -1.615 -4.300 1.00 0.00 C ATOM 930 CD2 TYR A 66 9.221 -1.542 -4.380 1.00 0.00 C ATOM 931 CE1 TYR A 66 11.656 -1.556 -5.679 1.00 0.00 C ATOM 932 CE2 TYR A 66 9.265 -1.483 -5.760 1.00 0.00 C ATOM 933 CZ TYR A 66 10.485 -1.490 -6.404 1.00 0.00 C ATOM 934 OH TYR A 66 10.532 -1.431 -7.778 1.00 0.00 O ATOM 0 H TYR A 66 9.836 -0.931 0.328 1.00 0.00 H new ATOM 0 HA TYR A 66 11.906 -0.278 -1.666 1.00 0.00 H new ATOM 0 HB2 TYR A 66 10.923 -2.526 -1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.305 -1.853 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 66 12.522 -1.667 -3.735 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.265 -1.536 -3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 66 12.609 -1.562 -6.187 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.350 -1.432 -6.331 1.00 0.00 H new ATOM 0 HH TYR A 66 9.620 -1.390 -8.135 1.00 0.00 H new ATOM 944 N GLU A 67 10.778 1.652 -2.710 1.00 0.00 N ATOM 945 CA GLU A 67 10.168 2.853 -3.267 1.00 0.00 C ATOM 946 C GLU A 67 8.935 2.503 -4.096 1.00 0.00 C ATOM 947 O GLU A 67 8.994 1.659 -4.990 1.00 0.00 O ATOM 948 CB GLU A 67 11.178 3.613 -4.130 1.00 0.00 C ATOM 949 CG GLU A 67 10.952 5.115 -4.151 1.00 0.00 C ATOM 950 CD GLU A 67 12.096 5.868 -4.803 1.00 0.00 C ATOM 951 OE1 GLU A 67 13.211 5.856 -4.241 1.00 0.00 O ATOM 952 OE2 GLU A 67 11.876 6.469 -5.875 1.00 0.00 O ATOM 0 H GLU A 67 11.760 1.525 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 67 9.859 3.490 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.183 3.411 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.130 3.233 -5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.027 5.332 -4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.821 5.473 -3.130 1.00 0.00 H new ATOM 959 N PHE A 68 7.820 3.158 -3.793 1.00 0.00 N ATOM 960 CA PHE A 68 6.572 2.915 -4.508 1.00 0.00 C ATOM 961 C PHE A 68 6.547 3.676 -5.831 1.00 0.00 C ATOM 962 O PHE A 68 7.179 4.724 -5.968 1.00 0.00 O ATOM 963 CB PHE A 68 5.377 3.328 -3.647 1.00 0.00 C ATOM 964 CG PHE A 68 5.241 2.524 -2.385 1.00 0.00 C ATOM 965 CD1 PHE A 68 5.403 1.148 -2.404 1.00 0.00 C ATOM 966 CD2 PHE A 68 4.950 3.144 -1.181 1.00 0.00 C ATOM 967 CE1 PHE A 68 5.279 0.405 -1.245 1.00 0.00 C ATOM 968 CE2 PHE A 68 4.825 2.407 -0.018 1.00 0.00 C ATOM 969 CZ PHE A 68 4.989 1.036 -0.051 1.00 0.00 C ATOM 0 H PHE A 68 7.754 3.861 -3.057 1.00 0.00 H new ATOM 0 HA PHE A 68 6.506 1.848 -4.721 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.473 4.382 -3.388 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.464 3.226 -4.234 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.629 0.650 -3.335 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.819 4.216 -1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.409 -0.667 -1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.599 2.902 0.915 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.891 0.458 0.856 1.00 0.00 H new ATOM 979 N ILE A 69 5.813 3.140 -6.800 1.00 0.00 N ATOM 980 CA ILE A 69 5.705 3.768 -8.111 1.00 0.00 C ATOM 981 C ILE A 69 5.231 5.212 -7.992 1.00 0.00 C ATOM 982 O ILE A 69 4.184 5.486 -7.406 1.00 0.00 O ATOM 983 CB ILE A 69 4.738 2.996 -9.027 1.00 0.00 C ATOM 984 CG1 ILE A 69 5.222 1.557 -9.219 1.00 0.00 C ATOM 985 CG2 ILE A 69 4.604 3.699 -10.370 1.00 0.00 C ATOM 986 CD1 ILE A 69 4.220 0.672 -9.927 1.00 0.00 C ATOM 0 H ILE A 69 5.285 2.273 -6.702 1.00 0.00 H new ATOM 0 HA ILE A 69 6.702 3.751 -8.552 1.00 0.00 H new ATOM 0 HB ILE A 69 3.757 2.970 -8.554 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.151 1.568 -9.789 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.450 1.126 -8.244 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.917 3.141 -11.006 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.218 4.707 -10.216 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.581 3.754 -10.851 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.630 -0.333 -10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.298 0.631 -9.348 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.009 1.079 -10.916 1.00 0.00 H new