USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 376 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 311 CYS SG : rot 9:sc= 1.3 USER MOD Set 1.2: A 314 CYS SG : rot 135:sc= 0.35 USER MOD Set 1.3: A 337 CYS SG : rot -57:sc= -0.659! USER MOD Set 1.4: A 340 CYS SG : rot 141:sc= 0.466 USER MOD Set 2.1: A 299 CYS SG : rot -137:sc= -3.83! USER MOD Set 2.2: A 302 CYS SG : rot 101:sc= -0.0806 USER MOD Set 2.3: A 319 HIS : no HD1:sc= -0.313 K(o=-8.2,f=-11!) USER MOD Set 2.4: A 322 CYS SG : rot 152:sc= -3.97! USER MOD Single : A 295 ASN : amide:sc= -0.757 K(o=-0.76,f=-4.4!) USER MOD Single : A 310 CYS SG : rot 154:sc= -3.66! USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 41:sc= 0.0259 USER MOD Single : A 334 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -129:sc= 0.135 (180deg=-0.426) USER MOD Single : B 3 THR OG1 : rot 180:sc= -0.0407 USER MOD Single : B 4 LYS NZ :NH3+ -171:sc= 0.298 (180deg=0.27) USER MOD Single : B 5 GLN : amide:sc= -3.36! K(o=-3.4!,f=-0.059) USER MOD Single : B 6 THR OG1 : rot -160:sc= -0.0963 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 295 1.736 1.051 -8.625 1.00 0.00 N ATOM 44 CA ASN A 295 0.813 2.169 -8.442 1.00 0.00 C ATOM 45 C ASN A 295 1.563 3.460 -8.123 1.00 0.00 C ATOM 46 O ASN A 295 2.790 3.518 -8.209 1.00 0.00 O ATOM 47 CB ASN A 295 -0.175 1.853 -7.317 1.00 0.00 C ATOM 48 CG ASN A 295 -1.187 0.791 -7.706 1.00 0.00 C ATOM 49 OD1 ASN A 295 -2.327 0.809 -7.247 1.00 0.00 O ATOM 50 ND2 ASN A 295 -0.773 -0.149 -8.549 1.00 0.00 N ATOM 0 HA ASN A 295 0.269 2.313 -9.376 1.00 0.00 H new ATOM 0 HB2 ASN A 295 0.376 1.519 -6.438 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -0.702 2.765 -7.035 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -1.410 -0.891 -8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 295 0.182 -0.128 -8.907 1.00 0.00 H new ATOM 57 N GLU A 296 0.815 4.496 -7.758 1.00 0.00 N ATOM 58 CA GLU A 296 1.408 5.785 -7.424 1.00 0.00 C ATOM 59 C GLU A 296 1.961 5.765 -6.003 1.00 0.00 C ATOM 60 O GLU A 296 1.223 5.545 -5.044 1.00 0.00 O ATOM 61 CB GLU A 296 0.371 6.901 -7.565 1.00 0.00 C ATOM 62 CG GLU A 296 -0.157 7.066 -8.978 1.00 0.00 C ATOM 63 CD GLU A 296 -1.072 8.265 -9.123 1.00 0.00 C ATOM 64 OE1 GLU A 296 -0.563 9.373 -9.391 1.00 0.00 O ATOM 65 OE2 GLU A 296 -2.301 8.097 -8.968 1.00 0.00 O ATOM 0 H GLU A 296 -0.202 4.468 -7.686 1.00 0.00 H new ATOM 0 HA GLU A 296 2.227 5.976 -8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -0.464 6.696 -6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 296 0.816 7.842 -7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 296 0.682 7.169 -9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -0.697 6.165 -9.267 1.00 0.00 H new ATOM 72 N ASP A 297 3.264 5.994 -5.876 1.00 0.00 N ATOM 73 CA ASP A 297 3.913 6.000 -4.569 1.00 0.00 C ATOM 74 C ASP A 297 3.479 7.218 -3.758 1.00 0.00 C ATOM 75 O ASP A 297 4.182 8.228 -3.714 1.00 0.00 O ATOM 76 CB ASP A 297 5.436 5.999 -4.724 1.00 0.00 C ATOM 77 CG ASP A 297 5.888 5.430 -6.053 1.00 0.00 C ATOM 78 OD1 ASP A 297 5.759 4.204 -6.252 1.00 0.00 O ATOM 79 OD2 ASP A 297 6.376 6.213 -6.897 1.00 0.00 O ATOM 0 H ASP A 297 3.890 6.177 -6.660 1.00 0.00 H new ATOM 0 HA ASP A 297 3.610 5.097 -4.039 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.808 7.019 -4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.879 5.418 -3.915 1.00 0.00 H new ATOM 84 N GLU A 298 2.316 7.115 -3.122 1.00 0.00 N ATOM 85 CA GLU A 298 1.785 8.207 -2.314 1.00 0.00 C ATOM 86 C GLU A 298 0.543 7.764 -1.547 1.00 0.00 C ATOM 87 O GLU A 298 -0.326 7.081 -2.089 1.00 0.00 O ATOM 88 CB GLU A 298 1.461 9.411 -3.195 1.00 0.00 C ATOM 89 CG GLU A 298 0.365 9.149 -4.215 1.00 0.00 C ATOM 90 CD GLU A 298 0.253 10.257 -5.245 1.00 0.00 C ATOM 91 OE1 GLU A 298 -0.484 11.231 -4.991 1.00 0.00 O ATOM 92 OE2 GLU A 298 0.904 10.150 -6.305 1.00 0.00 O ATOM 0 H GLU A 298 1.723 6.286 -3.151 1.00 0.00 H new ATOM 0 HA GLU A 298 2.548 8.495 -1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 298 1.161 10.244 -2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 298 2.366 9.720 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 298 0.563 8.205 -4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -0.589 9.040 -3.699 1.00 0.00 H new ATOM 99 N CYS A 299 0.469 8.156 -0.279 1.00 0.00 N ATOM 100 CA CYS A 299 -0.662 7.802 0.572 1.00 0.00 C ATOM 101 C CYS A 299 -1.835 8.758 0.362 1.00 0.00 C ATOM 102 O CYS A 299 -1.774 9.929 0.736 1.00 0.00 O ATOM 103 CB CYS A 299 -0.229 7.812 2.030 1.00 0.00 C ATOM 104 SG CYS A 299 -1.600 7.947 3.213 1.00 0.00 S ATOM 0 H CYS A 299 1.181 8.721 0.183 1.00 0.00 H new ATOM 0 HA CYS A 299 -0.996 6.801 0.300 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.327 6.898 2.238 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.456 8.645 2.188 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.280 8.785 4.154 1.00 0.00 H new ATOM 109 N ALA A 300 -2.916 8.231 -0.205 1.00 0.00 N ATOM 110 CA ALA A 300 -4.105 9.027 -0.506 1.00 0.00 C ATOM 111 C ALA A 300 -4.828 9.553 0.737 1.00 0.00 C ATOM 112 O ALA A 300 -5.886 10.170 0.611 1.00 0.00 O ATOM 113 CB ALA A 300 -5.071 8.210 -1.352 1.00 0.00 C ATOM 0 H ALA A 300 -2.994 7.249 -0.468 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.756 9.902 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.955 8.807 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.585 7.922 -2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.366 7.314 -0.805 1.00 0.00 H new ATOM 119 N VAL A 301 -4.284 9.323 1.933 1.00 0.00 N ATOM 120 CA VAL A 301 -4.946 9.804 3.147 1.00 0.00 C ATOM 121 C VAL A 301 -4.178 10.941 3.827 1.00 0.00 C ATOM 122 O VAL A 301 -4.787 11.793 4.476 1.00 0.00 O ATOM 123 CB VAL A 301 -5.206 8.664 4.171 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.738 7.324 3.638 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.553 8.959 5.515 1.00 0.00 C ATOM 0 H VAL A 301 -3.410 8.820 2.087 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.907 10.194 2.813 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.284 8.612 4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -4.935 6.549 4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.274 7.091 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.668 7.367 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.756 8.140 6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.476 9.063 5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.959 9.885 5.921 1.00 0.00 H new ATOM 135 N CYS A 302 -2.855 10.974 3.683 1.00 0.00 N ATOM 136 CA CYS A 302 -2.072 12.026 4.333 1.00 0.00 C ATOM 137 C CYS A 302 -0.915 12.505 3.461 1.00 0.00 C ATOM 138 O CYS A 302 -0.008 13.183 3.942 1.00 0.00 O ATOM 139 CB CYS A 302 -1.562 11.550 5.701 1.00 0.00 C ATOM 140 SG CYS A 302 -0.089 10.475 5.646 1.00 0.00 S ATOM 0 H CYS A 302 -2.313 10.304 3.137 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.734 12.879 4.482 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.332 12.424 6.310 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.366 11.013 6.205 1.00 0.00 H new ATOM 0 HG CYS A 302 0.967 11.171 5.945 1.00 0.00 H new ATOM 145 N ARG A 303 -0.965 12.160 2.177 1.00 0.00 N ATOM 146 CA ARG A 303 0.064 12.561 1.218 1.00 0.00 C ATOM 147 C ARG A 303 1.469 12.474 1.817 1.00 0.00 C ATOM 148 O ARG A 303 2.171 13.480 1.923 1.00 0.00 O ATOM 149 CB ARG A 303 -0.199 13.987 0.728 1.00 0.00 C ATOM 150 CG ARG A 303 -1.568 14.180 0.097 1.00 0.00 C ATOM 151 CD ARG A 303 -1.729 13.330 -1.149 1.00 0.00 C ATOM 152 NE ARG A 303 -3.083 13.403 -1.691 1.00 0.00 N ATOM 153 CZ ARG A 303 -3.416 12.988 -2.912 1.00 0.00 C ATOM 154 NH1 ARG A 303 -2.496 12.467 -3.712 1.00 0.00 N ATOM 155 NH2 ARG A 303 -4.668 13.097 -3.332 1.00 0.00 N ATOM 0 H ARG A 303 -1.714 11.598 1.773 1.00 0.00 H new ATOM 0 HA ARG A 303 0.014 11.868 0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -0.097 14.674 1.568 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.567 14.258 0.001 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.343 13.920 0.819 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.708 15.231 -0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -1.017 13.659 -1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -1.488 12.293 -0.914 1.00 0.00 H new ATOM 0 HE ARG A 303 -3.816 13.795 -1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -1.531 12.383 -3.393 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -2.753 12.150 -4.647 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -5.378 13.499 -2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -4.922 12.779 -4.267 1.00 0.00 H new ATOM 169 N ASP A 304 1.871 11.270 2.208 1.00 0.00 N ATOM 170 CA ASP A 304 3.195 11.056 2.782 1.00 0.00 C ATOM 171 C ASP A 304 3.827 9.789 2.215 1.00 0.00 C ATOM 172 O ASP A 304 3.208 9.079 1.421 1.00 0.00 O ATOM 173 CB ASP A 304 3.117 10.970 4.308 1.00 0.00 C ATOM 174 CG ASP A 304 2.987 12.334 4.959 1.00 0.00 C ATOM 175 OD1 ASP A 304 3.939 13.135 4.852 1.00 0.00 O ATOM 176 OD2 ASP A 304 1.934 12.601 5.576 1.00 0.00 O ATOM 0 H ASP A 304 1.300 10.428 2.138 1.00 0.00 H new ATOM 0 HA ASP A 304 3.821 11.908 2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.264 10.353 4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 304 4.010 10.473 4.687 1.00 0.00 H new ATOM 181 N GLY A 305 5.062 9.513 2.629 1.00 0.00 N ATOM 182 CA GLY A 305 5.759 8.336 2.141 1.00 0.00 C ATOM 183 C GLY A 305 5.964 7.280 3.209 1.00 0.00 C ATOM 184 O GLY A 305 5.664 7.501 4.382 1.00 0.00 O ATOM 0 H GLY A 305 5.590 10.082 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 305 5.195 7.904 1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.729 8.635 1.743 1.00 0.00 H new ATOM 188 N GLY A 306 6.495 6.134 2.793 1.00 0.00 N ATOM 189 CA GLY A 306 6.725 5.030 3.706 1.00 0.00 C ATOM 190 C GLY A 306 6.121 3.748 3.175 1.00 0.00 C ATOM 191 O GLY A 306 6.057 3.550 1.963 1.00 0.00 O ATOM 0 H GLY A 306 6.773 5.950 1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.796 4.896 3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.293 5.263 4.679 1.00 0.00 H new ATOM 195 N GLU A 307 5.679 2.867 4.065 1.00 0.00 N ATOM 196 CA GLU A 307 5.067 1.620 3.636 1.00 0.00 C ATOM 197 C GLU A 307 3.593 1.850 3.333 1.00 0.00 C ATOM 198 O GLU A 307 2.807 2.144 4.234 1.00 0.00 O ATOM 199 CB GLU A 307 5.228 0.549 4.715 1.00 0.00 C ATOM 200 CG GLU A 307 4.792 -0.840 4.271 1.00 0.00 C ATOM 201 CD GLU A 307 3.304 -1.070 4.444 1.00 0.00 C ATOM 202 OE1 GLU A 307 2.888 -1.456 5.557 1.00 0.00 O ATOM 203 OE2 GLU A 307 2.552 -0.865 3.467 1.00 0.00 O ATOM 0 H GLU A 307 5.733 2.992 5.076 1.00 0.00 H new ATOM 0 HA GLU A 307 5.566 1.272 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.273 0.511 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.648 0.839 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 307 5.058 -0.982 3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 307 5.340 -1.588 4.843 1.00 0.00 H new ATOM 210 N LEU A 308 3.219 1.715 2.064 1.00 0.00 N ATOM 211 CA LEU A 308 1.834 1.920 1.664 1.00 0.00 C ATOM 212 C LEU A 308 1.282 0.703 0.930 1.00 0.00 C ATOM 213 O LEU A 308 2.014 -0.012 0.249 1.00 0.00 O ATOM 214 CB LEU A 308 1.693 3.150 0.760 1.00 0.00 C ATOM 215 CG LEU A 308 2.769 4.221 0.899 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.708 5.172 -0.287 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.572 4.986 2.191 1.00 0.00 C ATOM 0 H LEU A 308 3.850 1.467 1.302 1.00 0.00 H new ATOM 0 HA LEU A 308 1.263 2.077 2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.679 2.812 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.725 3.610 0.958 1.00 0.00 H new ATOM 0 HG LEU A 308 3.748 3.743 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.479 5.935 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.872 4.615 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.728 5.649 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.345 5.749 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.591 5.461 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.638 4.299 3.034 1.00 0.00 H new ATOM 229 N ILE A 309 -0.021 0.490 1.075 1.00 0.00 N ATOM 230 CA ILE A 309 -0.718 -0.615 0.430 1.00 0.00 C ATOM 231 C ILE A 309 -1.614 -0.081 -0.686 1.00 0.00 C ATOM 232 O ILE A 309 -2.524 0.711 -0.440 1.00 0.00 O ATOM 233 CB ILE A 309 -1.571 -1.386 1.447 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.305 -2.540 0.766 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.547 -0.444 2.127 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.020 -3.453 1.734 1.00 0.00 C ATOM 0 H ILE A 309 -0.625 1.081 1.645 1.00 0.00 H new ATOM 0 HA ILE A 309 0.025 -1.293 0.011 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.916 -1.810 2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -3.029 -2.134 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.589 -3.125 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -3.148 -1.000 2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.995 0.341 2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.200 0.005 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.519 -4.249 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.298 -3.888 2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.760 -2.881 2.295 1.00 0.00 H new ATOM 248 N CYS A 310 -1.357 -0.513 -1.909 1.00 0.00 N ATOM 249 CA CYS A 310 -2.125 -0.040 -3.052 1.00 0.00 C ATOM 250 C CYS A 310 -3.375 -0.880 -3.304 1.00 0.00 C ATOM 251 O CYS A 310 -3.377 -2.094 -3.095 1.00 0.00 O ATOM 252 CB CYS A 310 -1.237 -0.026 -4.289 1.00 0.00 C ATOM 253 SG CYS A 310 0.292 0.914 -4.078 1.00 0.00 S ATOM 0 H CYS A 310 -0.626 -1.187 -2.137 1.00 0.00 H new ATOM 0 HA CYS A 310 -2.466 0.971 -2.827 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.987 -1.053 -4.557 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -1.799 0.394 -5.123 1.00 0.00 H new ATOM 0 HG CYS A 310 1.200 0.454 -4.887 1.00 0.00 H new ATOM 259 N CYS A 311 -4.441 -0.214 -3.759 1.00 0.00 N ATOM 260 CA CYS A 311 -5.707 -0.889 -4.048 1.00 0.00 C ATOM 261 C CYS A 311 -5.591 -1.740 -5.307 1.00 0.00 C ATOM 262 O CYS A 311 -4.974 -1.335 -6.291 1.00 0.00 O ATOM 263 CB CYS A 311 -6.848 0.128 -4.218 1.00 0.00 C ATOM 264 SG CYS A 311 -8.448 -0.631 -4.681 1.00 0.00 S ATOM 0 H CYS A 311 -4.451 0.791 -3.934 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.935 -1.536 -3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.974 0.679 -3.286 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -6.566 0.853 -4.981 1.00 0.00 H new ATOM 0 HG CYS A 311 -8.355 -1.925 -4.595 1.00 0.00 H new ATOM 269 N ASP A 312 -6.191 -2.925 -5.261 1.00 0.00 N ATOM 270 CA ASP A 312 -6.165 -3.849 -6.389 1.00 0.00 C ATOM 271 C ASP A 312 -6.916 -3.271 -7.586 1.00 0.00 C ATOM 272 O ASP A 312 -6.840 -3.803 -8.694 1.00 0.00 O ATOM 273 CB ASP A 312 -6.781 -5.189 -5.980 1.00 0.00 C ATOM 274 CG ASP A 312 -6.824 -6.187 -7.120 1.00 0.00 C ATOM 275 OD1 ASP A 312 -7.799 -6.154 -7.901 1.00 0.00 O ATOM 276 OD2 ASP A 312 -5.886 -7.003 -7.232 1.00 0.00 O ATOM 0 H ASP A 312 -6.704 -3.269 -4.449 1.00 0.00 H new ATOM 0 HA ASP A 312 -5.126 -4.005 -6.681 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -6.207 -5.611 -5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -7.793 -5.021 -5.611 1.00 0.00 H new ATOM 281 N GLY A 313 -7.638 -2.178 -7.356 1.00 0.00 N ATOM 282 CA GLY A 313 -8.396 -1.554 -8.425 1.00 0.00 C ATOM 283 C GLY A 313 -8.093 -0.074 -8.607 1.00 0.00 C ATOM 284 O GLY A 313 -8.478 0.513 -9.617 1.00 0.00 O ATOM 0 H GLY A 313 -7.711 -1.714 -6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -8.187 -2.076 -9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -9.460 -1.676 -8.223 1.00 0.00 H new ATOM 288 N CYS A 314 -7.408 0.536 -7.639 1.00 0.00 N ATOM 289 CA CYS A 314 -7.080 1.957 -7.732 1.00 0.00 C ATOM 290 C CYS A 314 -5.574 2.197 -7.644 1.00 0.00 C ATOM 291 O CYS A 314 -4.840 1.400 -7.062 1.00 0.00 O ATOM 292 CB CYS A 314 -7.782 2.755 -6.634 1.00 0.00 C ATOM 293 SG CYS A 314 -9.581 2.500 -6.554 1.00 0.00 S ATOM 0 H CYS A 314 -7.074 0.075 -6.793 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.431 2.297 -8.706 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -7.346 2.487 -5.672 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -7.584 3.816 -6.789 1.00 0.00 H new ATOM 0 HG CYS A 314 -9.942 2.342 -5.315 1.00 0.00 H new ATOM 298 N PRO A 315 -5.106 3.320 -8.221 1.00 0.00 N ATOM 299 CA PRO A 315 -3.691 3.702 -8.224 1.00 0.00 C ATOM 300 C PRO A 315 -3.258 4.319 -6.902 1.00 0.00 C ATOM 301 O PRO A 315 -2.213 4.966 -6.823 1.00 0.00 O ATOM 302 CB PRO A 315 -3.604 4.768 -9.329 1.00 0.00 C ATOM 303 CG PRO A 315 -4.961 4.829 -9.955 1.00 0.00 C ATOM 304 CD PRO A 315 -5.918 4.313 -8.924 1.00 0.00 C ATOM 0 HA PRO A 315 -3.047 2.837 -8.381 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.322 5.736 -8.915 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.846 4.504 -10.067 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -5.212 5.850 -10.243 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -5.000 4.224 -10.861 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.263 5.103 -8.257 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.804 3.868 -9.377 1.00 0.00 H new ATOM 312 N ARG A 316 -4.064 4.120 -5.869 1.00 0.00 N ATOM 313 CA ARG A 316 -3.772 4.683 -4.559 1.00 0.00 C ATOM 314 C ARG A 316 -2.998 3.718 -3.679 1.00 0.00 C ATOM 315 O ARG A 316 -2.839 2.546 -4.009 1.00 0.00 O ATOM 316 CB ARG A 316 -5.064 5.072 -3.851 1.00 0.00 C ATOM 317 CG ARG A 316 -5.698 6.338 -4.389 1.00 0.00 C ATOM 318 CD ARG A 316 -7.011 6.619 -3.681 1.00 0.00 C ATOM 319 NE ARG A 316 -7.525 7.951 -3.986 1.00 0.00 N ATOM 320 CZ ARG A 316 -8.720 8.389 -3.597 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.520 7.605 -2.887 1.00 0.00 N ATOM 322 NH2 ARG A 316 -9.114 9.612 -3.919 1.00 0.00 N ATOM 0 H ARG A 316 -4.924 3.574 -5.913 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.153 5.565 -4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.777 4.253 -3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.860 5.202 -2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.018 7.179 -4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.870 6.238 -5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.748 5.871 -3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -6.870 6.523 -2.604 1.00 0.00 H new ATOM 0 HE ARG A 316 -6.935 8.582 -4.528 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -9.220 6.663 -2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.435 7.944 -2.591 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -8.502 10.218 -4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -10.030 9.948 -3.621 1.00 0.00 H new ATOM 336 N ALA A 317 -2.530 4.244 -2.552 1.00 0.00 N ATOM 337 CA ALA A 317 -1.777 3.479 -1.568 1.00 0.00 C ATOM 338 C ALA A 317 -2.124 3.997 -0.167 1.00 0.00 C ATOM 339 O ALA A 317 -2.433 5.179 -0.010 1.00 0.00 O ATOM 340 CB ALA A 317 -0.287 3.594 -1.848 1.00 0.00 C ATOM 0 H ALA A 317 -2.665 5.222 -2.295 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.043 2.424 -1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.268 3.019 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.073 3.206 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 317 0.014 4.640 -1.794 1.00 0.00 H new ATOM 346 N PHE A 318 -2.081 3.135 0.851 1.00 0.00 N ATOM 347 CA PHE A 318 -2.445 3.557 2.209 1.00 0.00 C ATOM 348 C PHE A 318 -1.416 3.142 3.267 1.00 0.00 C ATOM 349 O PHE A 318 -0.791 2.091 3.172 1.00 0.00 O ATOM 350 CB PHE A 318 -3.822 2.989 2.566 1.00 0.00 C ATOM 351 CG PHE A 318 -4.955 3.646 1.837 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.172 3.379 0.504 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.806 4.523 2.489 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.214 3.971 -0.176 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.853 5.122 1.816 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.057 4.847 0.479 1.00 0.00 C ATOM 0 H PHE A 318 -1.803 2.157 0.767 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.469 4.647 2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.832 1.921 2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -3.982 3.096 3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.516 2.696 -0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.649 4.741 3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.371 3.750 -1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.510 5.804 2.335 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.872 5.315 -0.053 1.00 0.00 H new ATOM 366 N HIS A 319 -1.274 3.981 4.294 1.00 0.00 N ATOM 367 CA HIS A 319 -0.330 3.735 5.387 1.00 0.00 C ATOM 368 C HIS A 319 -0.872 2.733 6.395 1.00 0.00 C ATOM 369 O HIS A 319 -0.615 2.865 7.592 1.00 0.00 O ATOM 370 CB HIS A 319 -0.046 5.034 6.132 1.00 0.00 C ATOM 371 CG HIS A 319 1.135 5.796 5.648 1.00 0.00 C ATOM 372 ND1 HIS A 319 1.060 7.128 5.326 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.422 5.430 5.469 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.258 7.557 4.972 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.102 6.545 5.051 1.00 0.00 N ATOM 0 H HIS A 319 -1.806 4.846 4.392 1.00 0.00 H new ATOM 0 HA HIS A 319 0.577 3.332 4.936 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -0.925 5.674 6.061 1.00 0.00 H new ATOM 0 HB3 HIS A 319 0.097 4.805 7.188 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.837 4.445 5.625 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.505 8.564 4.670 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.098 6.586 4.836 1.00 0.00 H new ATOM 383 N LEU A 320 -1.623 1.747 5.926 1.00 0.00 N ATOM 384 CA LEU A 320 -2.186 0.736 6.816 1.00 0.00 C ATOM 385 C LEU A 320 -3.177 1.368 7.781 1.00 0.00 C ATOM 386 O LEU A 320 -4.389 1.279 7.597 1.00 0.00 O ATOM 387 CB LEU A 320 -1.078 0.045 7.610 1.00 0.00 C ATOM 388 CG LEU A 320 0.046 -0.594 6.790 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.444 -1.912 7.401 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.375 -0.795 5.349 1.00 0.00 C ATOM 0 H LEU A 320 -1.857 1.624 4.941 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.703 -0.002 6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.635 0.776 8.287 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.532 -0.729 8.229 1.00 0.00 H new ATOM 0 HG LEU A 320 0.902 0.081 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.244 -2.360 6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.792 -1.750 8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.416 -2.582 7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.443 -1.250 4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.247 -1.448 5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.625 0.169 4.905 1.00 0.00 H new ATOM 402 N ALA A 321 -2.641 2.004 8.817 1.00 0.00 N ATOM 403 CA ALA A 321 -3.455 2.667 9.818 1.00 0.00 C ATOM 404 C ALA A 321 -4.086 3.930 9.254 1.00 0.00 C ATOM 405 O ALA A 321 -5.004 4.496 9.849 1.00 0.00 O ATOM 406 CB ALA A 321 -2.617 2.978 11.043 1.00 0.00 C ATOM 0 H ALA A 321 -1.637 2.072 8.982 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.264 1.997 10.111 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.235 3.476 11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.222 2.051 11.458 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.791 3.631 10.762 1.00 0.00 H new ATOM 412 N CYS A 322 -3.591 4.370 8.099 1.00 0.00 N ATOM 413 CA CYS A 322 -4.143 5.563 7.451 1.00 0.00 C ATOM 414 C CYS A 322 -5.479 5.220 6.808 1.00 0.00 C ATOM 415 O CYS A 322 -6.139 6.070 6.210 1.00 0.00 O ATOM 416 CB CYS A 322 -3.181 6.124 6.397 1.00 0.00 C ATOM 417 SG CYS A 322 -2.070 7.441 7.023 1.00 0.00 S ATOM 0 H CYS A 322 -2.821 3.928 7.597 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.287 6.330 8.212 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.574 5.308 6.004 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.762 6.519 5.564 1.00 0.00 H new ATOM 0 HG CYS A 322 -0.964 7.437 6.339 1.00 0.00 H new ATOM 422 N LEU A 323 -5.863 3.958 6.949 1.00 0.00 N ATOM 423 CA LEU A 323 -7.117 3.456 6.400 1.00 0.00 C ATOM 424 C LEU A 323 -8.244 3.589 7.409 1.00 0.00 C ATOM 425 O LEU A 323 -7.988 3.771 8.600 1.00 0.00 O ATOM 426 CB LEU A 323 -6.963 1.980 6.043 1.00 0.00 C ATOM 427 CG LEU A 323 -6.369 1.693 4.681 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.729 0.316 4.672 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.447 1.798 3.622 1.00 0.00 C ATOM 0 H LEU A 323 -5.316 3.255 7.446 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.357 4.044 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.337 1.506 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.944 1.507 6.098 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.595 2.428 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.304 0.119 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -4.939 0.277 5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.483 -0.437 4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.016 1.591 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.235 1.075 3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.867 2.804 3.628 1.00 0.00 H new ATOM 441 N SER A 324 -9.491 3.509 6.944 1.00 0.00 N ATOM 442 CA SER A 324 -10.610 3.569 7.871 1.00 0.00 C ATOM 443 C SER A 324 -10.413 2.443 8.881 1.00 0.00 C ATOM 444 O SER A 324 -10.388 2.690 10.087 1.00 0.00 O ATOM 445 CB SER A 324 -11.965 3.478 7.153 1.00 0.00 C ATOM 446 OG SER A 324 -12.229 4.657 6.413 1.00 0.00 O ATOM 0 H SER A 324 -9.743 3.406 5.961 1.00 0.00 H new ATOM 0 HA SER A 324 -10.629 4.533 8.380 1.00 0.00 H new ATOM 0 HB2 SER A 324 -11.969 2.617 6.485 1.00 0.00 H new ATOM 0 HB3 SER A 324 -12.758 3.318 7.884 1.00 0.00 H new ATOM 0 HG SER A 324 -13.096 4.574 5.964 1.00 0.00 H new ATOM 452 N PRO A 325 -10.268 1.179 8.408 1.00 0.00 N ATOM 453 CA PRO A 325 -9.976 0.051 9.252 1.00 0.00 C ATOM 454 C PRO A 325 -8.521 -0.358 9.069 1.00 0.00 C ATOM 455 O PRO A 325 -8.165 -1.035 8.103 1.00 0.00 O ATOM 456 CB PRO A 325 -10.900 -1.012 8.717 1.00 0.00 C ATOM 457 CG PRO A 325 -11.151 -0.634 7.277 1.00 0.00 C ATOM 458 CD PRO A 325 -10.455 0.693 7.039 1.00 0.00 C ATOM 0 HA PRO A 325 -10.116 0.242 10.316 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.447 -2.001 8.791 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.831 -1.045 9.283 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.763 -1.399 6.604 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -12.220 -0.549 7.081 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.507 0.570 6.515 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.063 1.373 6.442 1.00 0.00 H new ATOM 466 N PRO A 326 -7.675 0.057 10.003 1.00 0.00 N ATOM 467 CA PRO A 326 -6.238 -0.196 9.953 1.00 0.00 C ATOM 468 C PRO A 326 -5.870 -1.640 9.724 1.00 0.00 C ATOM 469 O PRO A 326 -6.509 -2.563 10.229 1.00 0.00 O ATOM 470 CB PRO A 326 -5.729 0.270 11.296 1.00 0.00 C ATOM 471 CG PRO A 326 -6.758 1.219 11.793 1.00 0.00 C ATOM 472 CD PRO A 326 -8.073 0.777 11.206 1.00 0.00 C ATOM 0 HA PRO A 326 -5.795 0.327 9.105 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -5.602 -0.568 11.982 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -4.758 0.756 11.202 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.798 1.211 12.882 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.522 2.239 11.490 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.626 0.137 11.894 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.716 1.626 10.973 1.00 0.00 H new ATOM 480 N LEU A 327 -4.817 -1.809 8.946 1.00 0.00 N ATOM 481 CA LEU A 327 -4.307 -3.126 8.614 1.00 0.00 C ATOM 482 C LEU A 327 -3.295 -3.598 9.644 1.00 0.00 C ATOM 483 O LEU A 327 -2.086 -3.500 9.428 1.00 0.00 O ATOM 484 CB LEU A 327 -3.667 -3.106 7.235 1.00 0.00 C ATOM 485 CG LEU A 327 -4.523 -2.464 6.158 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.764 -2.375 4.858 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.797 -3.251 5.976 1.00 0.00 C ATOM 0 H LEU A 327 -4.293 -1.040 8.528 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.146 -3.822 8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.719 -2.572 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.438 -4.130 6.939 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.778 -1.451 6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.395 -1.912 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -2.867 -1.773 5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.481 -3.376 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.406 -2.784 5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.555 -4.272 5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.352 -3.266 6.914 1.00 0.00 H new ATOM 499 N ARG A 328 -3.796 -4.093 10.772 1.00 0.00 N ATOM 500 CA ARG A 328 -2.937 -4.614 11.829 1.00 0.00 C ATOM 501 C ARG A 328 -1.912 -5.555 11.213 1.00 0.00 C ATOM 502 O ARG A 328 -0.818 -5.760 11.739 1.00 0.00 O ATOM 503 CB ARG A 328 -3.786 -5.369 12.848 1.00 0.00 C ATOM 504 CG ARG A 328 -3.287 -5.292 14.281 1.00 0.00 C ATOM 505 CD ARG A 328 -1.840 -5.735 14.419 1.00 0.00 C ATOM 506 NE ARG A 328 -1.450 -5.896 15.817 1.00 0.00 N ATOM 507 CZ ARG A 328 -0.252 -6.323 16.203 1.00 0.00 C ATOM 508 NH1 ARG A 328 0.671 -6.625 15.299 1.00 0.00 N ATOM 509 NH2 ARG A 328 0.024 -6.448 17.494 1.00 0.00 N ATOM 0 H ARG A 328 -4.794 -4.144 10.977 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.425 -3.793 12.331 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.803 -4.979 12.812 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -3.836 -6.417 12.552 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -3.386 -4.268 14.642 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -3.917 -5.916 14.915 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -1.697 -6.678 13.892 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -1.189 -5.002 13.943 1.00 0.00 H new ATOM 0 HE ARG A 328 -2.135 -5.668 16.537 1.00 0.00 H new ATOM 0 HH11 ARG A 328 0.462 -6.530 14.305 1.00 0.00 H new ATOM 0 HH12 ARG A 328 1.590 -6.952 15.598 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -0.683 -6.216 18.191 1.00 0.00 H new ATOM 0 HH22 ARG A 328 0.944 -6.776 17.790 1.00 0.00 H new ATOM 523 N GLU A 329 -2.294 -6.106 10.072 1.00 0.00 N ATOM 524 CA GLU A 329 -1.457 -7.031 9.326 1.00 0.00 C ATOM 525 C GLU A 329 -1.917 -7.079 7.877 1.00 0.00 C ATOM 526 O GLU A 329 -3.015 -7.546 7.575 1.00 0.00 O ATOM 527 CB GLU A 329 -1.503 -8.425 9.952 1.00 0.00 C ATOM 528 CG GLU A 329 -2.908 -8.893 10.285 1.00 0.00 C ATOM 529 CD GLU A 329 -2.927 -10.244 10.971 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.700 -10.289 12.199 1.00 0.00 O ATOM 531 OE2 GLU A 329 -3.165 -11.257 10.281 1.00 0.00 O ATOM 0 H GLU A 329 -3.198 -5.923 9.636 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.425 -6.682 9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -1.044 -9.138 9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.903 -8.426 10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.389 -8.156 10.929 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.495 -8.947 9.368 1.00 0.00 H new ATOM 538 N ILE A 330 -1.064 -6.576 6.995 1.00 0.00 N ATOM 539 CA ILE A 330 -1.350 -6.513 5.571 1.00 0.00 C ATOM 540 C ILE A 330 -2.120 -7.734 5.049 1.00 0.00 C ATOM 541 O ILE A 330 -1.793 -8.879 5.358 1.00 0.00 O ATOM 542 CB ILE A 330 -0.046 -6.305 4.772 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.462 -4.878 4.992 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.259 -6.571 3.291 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.580 -3.831 4.708 1.00 0.00 C ATOM 0 H ILE A 330 -0.151 -6.199 7.250 1.00 0.00 H new ATOM 0 HA ILE A 330 -2.007 -5.656 5.423 1.00 0.00 H new ATOM 0 HB ILE A 330 0.699 -7.015 5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.801 -4.774 6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.327 -4.704 4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.677 -6.416 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.592 -7.599 3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.016 -5.889 2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 330 -0.158 -2.841 4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.902 -3.910 3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.436 -3.982 5.366 1.00 0.00 H new ATOM 557 N PRO A 331 -3.166 -7.462 4.238 1.00 0.00 N ATOM 558 CA PRO A 331 -4.041 -8.486 3.640 1.00 0.00 C ATOM 559 C PRO A 331 -3.280 -9.560 2.872 1.00 0.00 C ATOM 560 O PRO A 331 -2.105 -9.391 2.545 1.00 0.00 O ATOM 561 CB PRO A 331 -4.907 -7.693 2.668 1.00 0.00 C ATOM 562 CG PRO A 331 -4.889 -6.305 3.189 1.00 0.00 C ATOM 563 CD PRO A 331 -3.567 -6.107 3.841 1.00 0.00 C ATOM 0 HA PRO A 331 -4.592 -9.022 4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.509 -7.740 1.655 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -5.922 -8.088 2.630 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -5.033 -5.587 2.381 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.699 -6.149 3.902 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -2.846 -5.661 3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.641 -5.443 4.702 1.00 0.00 H new ATOM 571 N SER A 332 -3.971 -10.652 2.555 1.00 0.00 N ATOM 572 CA SER A 332 -3.365 -11.755 1.820 1.00 0.00 C ATOM 573 C SER A 332 -4.019 -11.927 0.452 1.00 0.00 C ATOM 574 O SER A 332 -5.238 -12.060 0.350 1.00 0.00 O ATOM 575 CB SER A 332 -3.473 -13.050 2.618 1.00 0.00 C ATOM 576 OG SER A 332 -4.777 -13.220 3.146 1.00 0.00 O ATOM 0 H SER A 332 -4.952 -10.795 2.797 1.00 0.00 H new ATOM 0 HA SER A 332 -2.312 -11.519 1.669 1.00 0.00 H new ATOM 0 HB2 SER A 332 -3.224 -13.896 1.978 1.00 0.00 H new ATOM 0 HB3 SER A 332 -2.747 -13.041 3.431 1.00 0.00 H new ATOM 0 HG SER A 332 -5.439 -12.955 2.474 1.00 0.00 H new ATOM 582 N GLY A 333 -3.201 -11.923 -0.595 1.00 0.00 N ATOM 583 CA GLY A 333 -3.718 -12.076 -1.943 1.00 0.00 C ATOM 584 C GLY A 333 -4.150 -10.755 -2.551 1.00 0.00 C ATOM 585 O GLY A 333 -3.362 -10.088 -3.221 1.00 0.00 O ATOM 0 H GLY A 333 -2.188 -11.816 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -2.953 -12.530 -2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -4.566 -12.761 -1.928 1.00 0.00 H new ATOM 589 N THR A 334 -5.404 -10.377 -2.317 1.00 0.00 N ATOM 590 CA THR A 334 -5.936 -9.127 -2.845 1.00 0.00 C ATOM 591 C THR A 334 -6.283 -8.160 -1.719 1.00 0.00 C ATOM 592 O THR A 334 -6.122 -8.483 -0.541 1.00 0.00 O ATOM 593 CB THR A 334 -7.193 -9.364 -3.703 1.00 0.00 C ATOM 594 OG1 THR A 334 -8.212 -9.998 -2.921 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.866 -10.226 -4.915 1.00 0.00 C ATOM 0 H THR A 334 -6.069 -10.919 -1.765 1.00 0.00 H new ATOM 0 HA THR A 334 -5.156 -8.693 -3.470 1.00 0.00 H new ATOM 0 HB THR A 334 -7.555 -8.396 -4.051 1.00 0.00 H new ATOM 0 HG1 THR A 334 -9.007 -10.143 -3.475 1.00 0.00 H new ATOM 0 HG21 THR A 334 -7.769 -10.380 -5.506 1.00 0.00 H new ATOM 0 HG22 THR A 334 -6.114 -9.726 -5.525 1.00 0.00 H new ATOM 0 HG23 THR A 334 -6.481 -11.190 -4.583 1.00 0.00 H new ATOM 603 N TRP A 335 -6.763 -6.975 -2.089 1.00 0.00 N ATOM 604 CA TRP A 335 -7.134 -5.958 -1.112 1.00 0.00 C ATOM 605 C TRP A 335 -7.723 -4.728 -1.791 1.00 0.00 C ATOM 606 O TRP A 335 -7.055 -4.073 -2.591 1.00 0.00 O ATOM 607 CB TRP A 335 -5.927 -5.520 -0.280 1.00 0.00 C ATOM 608 CG TRP A 335 -6.246 -4.369 0.624 1.00 0.00 C ATOM 609 CD1 TRP A 335 -6.844 -4.428 1.852 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.005 -2.984 0.361 1.00 0.00 C ATOM 611 NE1 TRP A 335 -6.964 -3.165 2.378 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.464 -2.262 1.477 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.440 -2.284 -0.707 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.374 -0.879 1.553 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.354 -0.907 -0.629 1.00 0.00 C ATOM 616 CH2 TRP A 335 -5.819 -0.218 0.494 1.00 0.00 C ATOM 0 H TRP A 335 -6.904 -6.697 -3.060 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.882 -6.409 -0.460 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.576 -6.361 0.317 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.111 -5.240 -0.947 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.174 -5.335 2.337 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.360 -2.937 3.290 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.077 -2.809 -1.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -6.731 -0.343 2.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -4.920 -0.354 -1.449 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -5.738 0.859 0.526 1.00 0.00 H new ATOM 627 N ARG A 336 -8.972 -4.418 -1.471 1.00 0.00 N ATOM 628 CA ARG A 336 -9.624 -3.248 -2.021 1.00 0.00 C ATOM 629 C ARG A 336 -9.419 -2.047 -1.115 1.00 0.00 C ATOM 630 O ARG A 336 -8.831 -2.155 -0.044 1.00 0.00 O ATOM 631 CB ARG A 336 -11.112 -3.500 -2.163 1.00 0.00 C ATOM 632 CG ARG A 336 -11.452 -4.685 -3.033 1.00 0.00 C ATOM 633 CD ARG A 336 -12.911 -4.638 -3.403 1.00 0.00 C ATOM 634 NE ARG A 336 -13.331 -5.807 -4.170 1.00 0.00 N ATOM 635 CZ ARG A 336 -14.136 -5.747 -5.226 1.00 0.00 C ATOM 636 NH1 ARG A 336 -14.598 -4.576 -5.646 1.00 0.00 N ATOM 637 NH2 ARG A 336 -14.479 -6.856 -5.864 1.00 0.00 N ATOM 0 H ARG A 336 -9.550 -4.964 -0.832 1.00 0.00 H new ATOM 0 HA ARG A 336 -9.185 -3.045 -2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.540 -3.654 -1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.583 -2.609 -2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -10.838 -4.676 -3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -11.230 -5.612 -2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -13.511 -4.568 -2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -13.106 -3.737 -3.984 1.00 0.00 H new ATOM 0 HE ARG A 336 -12.987 -6.722 -3.879 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -14.335 -3.720 -5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -15.216 -4.532 -6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -14.125 -7.758 -5.545 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -15.097 -6.808 -6.674 1.00 0.00 H new ATOM 651 N CYS A 337 -9.935 -0.908 -1.542 1.00 0.00 N ATOM 652 CA CYS A 337 -9.823 0.319 -0.766 1.00 0.00 C ATOM 653 C CYS A 337 -11.190 0.676 -0.206 1.00 0.00 C ATOM 654 O CYS A 337 -12.199 0.238 -0.745 1.00 0.00 O ATOM 655 CB CYS A 337 -9.286 1.463 -1.630 1.00 0.00 C ATOM 656 SG CYS A 337 -10.456 2.066 -2.889 1.00 0.00 S ATOM 0 H CYS A 337 -10.437 -0.805 -2.424 1.00 0.00 H new ATOM 0 HA CYS A 337 -9.120 0.162 0.052 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -9.009 2.294 -0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -8.375 1.130 -2.127 1.00 0.00 H new ATOM 0 HG CYS A 337 -10.818 1.079 -3.653 1.00 0.00 H new ATOM 661 N SER A 338 -11.226 1.457 0.869 1.00 0.00 N ATOM 662 CA SER A 338 -12.493 1.841 1.492 1.00 0.00 C ATOM 663 C SER A 338 -13.580 2.111 0.449 1.00 0.00 C ATOM 664 O SER A 338 -14.745 1.774 0.659 1.00 0.00 O ATOM 665 CB SER A 338 -12.303 3.072 2.376 1.00 0.00 C ATOM 666 OG SER A 338 -12.010 4.220 1.599 1.00 0.00 O ATOM 0 H SER A 338 -10.397 1.836 1.327 1.00 0.00 H new ATOM 0 HA SER A 338 -12.819 1.003 2.107 1.00 0.00 H new ATOM 0 HB2 SER A 338 -13.206 3.246 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 338 -11.494 2.893 3.085 1.00 0.00 H new ATOM 0 HG SER A 338 -11.895 4.994 2.189 1.00 0.00 H new ATOM 672 N SER A 339 -13.194 2.710 -0.676 1.00 0.00 N ATOM 673 CA SER A 339 -14.139 3.015 -1.744 1.00 0.00 C ATOM 674 C SER A 339 -14.651 1.742 -2.419 1.00 0.00 C ATOM 675 O SER A 339 -15.860 1.530 -2.529 1.00 0.00 O ATOM 676 CB SER A 339 -13.481 3.923 -2.770 1.00 0.00 C ATOM 677 OG SER A 339 -14.389 4.279 -3.799 1.00 0.00 O ATOM 0 H SER A 339 -12.233 2.993 -0.870 1.00 0.00 H new ATOM 0 HA SER A 339 -14.996 3.525 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 339 -13.113 4.824 -2.279 1.00 0.00 H new ATOM 0 HB3 SER A 339 -12.616 3.420 -3.203 1.00 0.00 H new ATOM 0 HG SER A 339 -13.940 4.864 -4.444 1.00 0.00 H new ATOM 683 N CYS A 340 -13.726 0.895 -2.865 1.00 0.00 N ATOM 684 CA CYS A 340 -14.076 -0.351 -3.524 1.00 0.00 C ATOM 685 C CYS A 340 -14.713 -1.314 -2.534 1.00 0.00 C ATOM 686 O CYS A 340 -15.309 -2.321 -2.913 1.00 0.00 O ATOM 687 CB CYS A 340 -12.828 -0.993 -4.130 1.00 0.00 C ATOM 688 SG CYS A 340 -12.110 -0.081 -5.532 1.00 0.00 S ATOM 0 H CYS A 340 -12.722 1.055 -2.779 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.791 -0.132 -4.317 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -12.071 -1.090 -3.351 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -13.078 -2.001 -4.460 1.00 0.00 H new ATOM 0 HG CYS A 340 -10.813 -0.124 -5.459 1.00 0.00 H new ATOM 693 N LEU A 341 -14.572 -0.984 -1.258 1.00 0.00 N ATOM 694 CA LEU A 341 -15.104 -1.797 -0.180 1.00 0.00 C ATOM 695 C LEU A 341 -16.570 -1.488 0.071 1.00 0.00 C ATOM 696 O LEU A 341 -17.401 -2.390 0.162 1.00 0.00 O ATOM 697 CB LEU A 341 -14.282 -1.560 1.081 1.00 0.00 C ATOM 698 CG LEU A 341 -12.899 -2.209 1.075 1.00 0.00 C ATOM 699 CD1 LEU A 341 -12.114 -1.819 2.310 1.00 0.00 C ATOM 700 CD2 LEU A 341 -13.034 -3.714 0.969 1.00 0.00 C ATOM 0 H LEU A 341 -14.085 -0.145 -0.944 1.00 0.00 H new ATOM 0 HA LEU A 341 -15.037 -2.847 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -14.163 -0.486 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -14.841 -1.936 1.938 1.00 0.00 H new ATOM 0 HG LEU A 341 -12.347 -1.848 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -11.133 -2.294 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -11.993 -0.736 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -12.651 -2.146 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -12.043 -4.169 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -13.602 -4.089 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -13.553 -3.969 0.045 1.00 0.00 H new ATOM 803 N ALA B 1 -2.679 -8.651 -0.587 1.00 0.00 N ATOM 804 CA ALA B 1 -2.393 -7.194 -0.612 1.00 0.00 C ATOM 805 C ALA B 1 -1.210 -6.882 -1.522 1.00 0.00 C ATOM 806 O ALA B 1 -0.485 -7.783 -1.946 1.00 0.00 O ATOM 807 CB ALA B 1 -2.109 -6.702 0.796 1.00 0.00 C ATOM 0 H1 ALA B 1 -3.688 -8.810 -0.780 1.00 0.00 H new ATOM 0 H2 ALA B 1 -2.108 -9.129 -1.313 1.00 0.00 H new ATOM 0 H3 ALA B 1 -2.441 -9.035 0.350 1.00 0.00 H new ATOM 0 HA ALA B 1 -3.269 -6.679 -1.007 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -1.900 -5.633 0.772 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -2.977 -6.888 1.428 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -1.246 -7.232 1.199 1.00 0.00 H new ATOM 815 N ARG B 2 -1.020 -5.602 -1.817 1.00 0.00 N ATOM 816 CA ARG B 2 0.085 -5.163 -2.663 1.00 0.00 C ATOM 817 C ARG B 2 0.698 -3.885 -2.106 1.00 0.00 C ATOM 818 O ARG B 2 0.553 -2.808 -2.688 1.00 0.00 O ATOM 819 CB ARG B 2 -0.390 -4.936 -4.101 1.00 0.00 C ATOM 820 CG ARG B 2 -0.981 -6.177 -4.748 1.00 0.00 C ATOM 821 CD ARG B 2 -0.993 -6.064 -6.263 1.00 0.00 C ATOM 822 NE ARG B 2 -1.582 -4.806 -6.714 1.00 0.00 N ATOM 823 CZ ARG B 2 -2.714 -4.725 -7.404 1.00 0.00 C ATOM 824 NH1 ARG B 2 -3.390 -5.825 -7.712 1.00 0.00 N ATOM 825 NH2 ARG B 2 -3.174 -3.543 -7.787 1.00 0.00 N ATOM 0 H ARG B 2 -1.618 -4.847 -1.482 1.00 0.00 H new ATOM 0 HA ARG B 2 0.843 -5.946 -2.670 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -1.137 -4.142 -4.107 1.00 0.00 H new ATOM 0 HB3 ARG B 2 0.450 -4.588 -4.702 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -0.403 -7.053 -4.452 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -1.998 -6.328 -4.385 1.00 0.00 H new ATOM 0 HD2 ARG B 2 0.027 -6.143 -6.640 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.554 -6.898 -6.684 1.00 0.00 H new ATOM 0 HE ARG B 2 -1.096 -3.939 -6.486 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.041 -6.737 -7.419 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -4.259 -5.758 -8.242 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -2.659 -2.695 -7.552 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -4.043 -3.481 -8.317 1.00 0.00 H new ATOM 839 N THR B 3 1.382 -4.011 -0.975 1.00 0.00 N ATOM 840 CA THR B 3 2.004 -2.864 -0.329 1.00 0.00 C ATOM 841 C THR B 3 3.486 -2.763 -0.681 1.00 0.00 C ATOM 842 O THR B 3 4.240 -3.725 -0.525 1.00 0.00 O ATOM 843 CB THR B 3 1.845 -2.922 1.209 1.00 0.00 C ATOM 844 OG1 THR B 3 3.046 -3.420 1.810 1.00 0.00 O ATOM 845 CG2 THR B 3 0.675 -3.814 1.605 1.00 0.00 C ATOM 0 H THR B 3 1.519 -4.896 -0.487 1.00 0.00 H new ATOM 0 HA THR B 3 1.490 -1.978 -0.702 1.00 0.00 H new ATOM 0 HB THR B 3 1.649 -1.910 1.564 1.00 0.00 H new ATOM 0 HG1 THR B 3 2.936 -3.452 2.783 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.586 -3.837 2.691 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.245 -3.420 1.174 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.846 -4.824 1.234 1.00 0.00 H new ATOM 853 N LYS B 4 3.894 -1.591 -1.161 1.00 0.00 N ATOM 854 CA LYS B 4 5.283 -1.354 -1.539 1.00 0.00 C ATOM 855 C LYS B 4 5.984 -0.504 -0.481 1.00 0.00 C ATOM 856 O LYS B 4 5.396 -0.171 0.549 1.00 0.00 O ATOM 857 CB LYS B 4 5.350 -0.654 -2.901 1.00 0.00 C ATOM 858 CG LYS B 4 6.615 -0.964 -3.688 1.00 0.00 C ATOM 859 CD LYS B 4 7.006 0.187 -4.602 1.00 0.00 C ATOM 860 CE LYS B 4 7.513 1.383 -3.812 1.00 0.00 C ATOM 861 NZ LYS B 4 7.835 2.538 -4.694 1.00 0.00 N ATOM 0 H LYS B 4 3.279 -0.789 -1.297 1.00 0.00 H new ATOM 0 HA LYS B 4 5.791 -2.316 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS B 4 4.483 -0.948 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS B 4 5.282 0.423 -2.749 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.431 -1.173 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS B 4 6.462 -1.865 -4.282 1.00 0.00 H new ATOM 0 HD2 LYS B 4 7.778 -0.145 -5.296 1.00 0.00 H new ATOM 0 HD3 LYS B 4 6.146 0.485 -5.201 1.00 0.00 H new ATOM 0 HE2 LYS B 4 6.759 1.682 -3.084 1.00 0.00 H new ATOM 0 HE3 LYS B 4 8.402 1.096 -3.251 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 8.318 3.274 -4.140 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 8.456 2.223 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 6.956 2.926 -5.093 1.00 0.00 H new ATOM 875 N GLN B 5 7.242 -0.157 -0.739 1.00 0.00 N ATOM 876 CA GLN B 5 8.017 0.655 0.192 1.00 0.00 C ATOM 877 C GLN B 5 8.561 1.903 -0.500 1.00 0.00 C ATOM 878 O GLN B 5 9.600 1.856 -1.159 1.00 0.00 O ATOM 879 CB GLN B 5 9.170 -0.164 0.779 1.00 0.00 C ATOM 880 CG GLN B 5 10.001 0.597 1.800 1.00 0.00 C ATOM 881 CD GLN B 5 9.202 0.999 3.025 1.00 0.00 C ATOM 882 OE1 GLN B 5 9.465 2.033 3.638 1.00 0.00 O ATOM 883 NE2 GLN B 5 8.224 0.179 3.393 1.00 0.00 N ATOM 0 H GLN B 5 7.745 -0.426 -1.585 1.00 0.00 H new ATOM 0 HA GLN B 5 7.357 0.969 1.001 1.00 0.00 H new ATOM 0 HB2 GLN B 5 8.765 -1.061 1.248 1.00 0.00 H new ATOM 0 HB3 GLN B 5 9.819 -0.494 -0.032 1.00 0.00 H new ATOM 0 HG2 GLN B 5 10.844 -0.021 2.108 1.00 0.00 H new ATOM 0 HG3 GLN B 5 10.414 1.490 1.332 1.00 0.00 H new ATOM 0 HE21 GLN B 5 8.040 -0.668 2.856 1.00 0.00 H new ATOM 0 HE22 GLN B 5 7.657 0.397 4.213 1.00 0.00 H new ATOM 892 N THR B 6 7.850 3.017 -0.346 1.00 0.00 N ATOM 893 CA THR B 6 8.257 4.277 -0.958 1.00 0.00 C ATOM 894 C THR B 6 8.962 5.179 0.051 1.00 0.00 C ATOM 895 O THR B 6 8.830 4.997 1.262 1.00 0.00 O ATOM 896 CB THR B 6 7.050 5.033 -1.546 1.00 0.00 C ATOM 897 OG1 THR B 6 7.495 6.210 -2.232 1.00 0.00 O ATOM 898 CG2 THR B 6 6.068 5.418 -0.451 1.00 0.00 C ATOM 0 H THR B 6 6.989 3.072 0.198 1.00 0.00 H new ATOM 0 HA THR B 6 8.948 4.026 -1.763 1.00 0.00 H new ATOM 0 HB THR B 6 6.544 4.373 -2.250 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.748 6.837 -2.324 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.224 5.951 -0.890 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.709 4.518 0.049 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.566 6.062 0.274 1.00 0.00 H new