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: B 4 LYS NZ :NH3+ -144:sc= -0.0165 (180deg=-0.668) USER MOD Set 1.2: B 6 THR OG1 : rot -100:sc= -1.45 USER MOD Set 2.1: A 311 CYS SG : rot -119:sc= 1.24 USER MOD Set 2.2: A 314 CYS SG : rot 144:sc= 0.28 USER MOD Set 2.3: A 337 CYS SG : rot -48:sc= 0.0322 USER MOD Set 2.4: A 340 CYS SG : rot 146:sc= 0.502 USER MOD Set 3.1: A 299 CYS SG : rot -133:sc= -2.83! USER MOD Set 3.2: A 302 CYS SG : rot -111:sc= -0.859 USER MOD Set 3.3: A 319 HIS : no HD1:sc= -0.932! C(o=-8.8!,f=-11!) USER MOD Set 3.4: A 322 CYS SG : rot 150:sc= -4.22! USER MOD Set 4.1: A 295 ASN : amide:sc= -0.688 X(o=0.15,f=-0.19) USER MOD Set 4.2: A 310 CYS SG : rot 176:sc= 0.835 USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc= 0.0091 USER MOD Single : A 334 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 SER OG : rot 180:sc=-0.00246 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -118:sc= 0.859 (180deg=-1.97!) USER MOD Single : B 3 THR OG1 : rot -14:sc= 0.925 USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 295 2.405 2.389 -8.531 1.00 0.00 N ATOM 44 CA ASN A 295 1.378 3.115 -7.796 1.00 0.00 C ATOM 45 C ASN A 295 1.985 3.643 -6.505 1.00 0.00 C ATOM 46 O ASN A 295 3.193 3.867 -6.429 1.00 0.00 O ATOM 47 CB ASN A 295 0.195 2.196 -7.479 1.00 0.00 C ATOM 48 CG ASN A 295 -0.315 1.467 -8.709 1.00 0.00 C ATOM 49 OD1 ASN A 295 -0.768 0.327 -8.626 1.00 0.00 O ATOM 50 ND2 ASN A 295 -0.247 2.126 -9.861 1.00 0.00 N ATOM 0 HA ASN A 295 1.013 3.943 -8.403 1.00 0.00 H new ATOM 0 HB2 ASN A 295 0.496 1.467 -6.726 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -0.614 2.785 -7.047 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -0.578 1.687 -10.720 1.00 0.00 H new ATOM 0 HD22 ASN A 295 0.136 3.071 -9.886 1.00 0.00 H new ATOM 57 N GLU A 296 1.152 3.843 -5.498 1.00 0.00 N ATOM 58 CA GLU A 296 1.629 4.301 -4.203 1.00 0.00 C ATOM 59 C GLU A 296 2.424 5.597 -4.313 1.00 0.00 C ATOM 60 O GLU A 296 2.033 6.513 -5.038 1.00 0.00 O ATOM 61 CB GLU A 296 2.482 3.203 -3.560 1.00 0.00 C ATOM 62 CG GLU A 296 1.892 1.814 -3.719 1.00 0.00 C ATOM 63 CD GLU A 296 2.768 0.732 -3.124 1.00 0.00 C ATOM 64 OE1 GLU A 296 3.208 0.894 -1.968 1.00 0.00 O ATOM 65 OE2 GLU A 296 3.007 -0.282 -3.813 1.00 0.00 O ATOM 0 H GLU A 296 0.144 3.696 -5.551 1.00 0.00 H new ATOM 0 HA GLU A 296 0.762 4.511 -3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 296 3.478 3.220 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 296 2.601 3.420 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 296 0.912 1.784 -3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 296 1.738 1.609 -4.778 1.00 0.00 H new ATOM 72 N ASP A 297 3.544 5.669 -3.591 1.00 0.00 N ATOM 73 CA ASP A 297 4.376 6.866 -3.591 1.00 0.00 C ATOM 74 C ASP A 297 3.564 8.102 -3.227 1.00 0.00 C ATOM 75 O ASP A 297 3.979 9.233 -3.492 1.00 0.00 O ATOM 76 CB ASP A 297 5.021 7.046 -4.941 1.00 0.00 C ATOM 77 CG ASP A 297 6.242 6.177 -5.138 1.00 0.00 C ATOM 78 OD1 ASP A 297 6.082 4.946 -5.288 1.00 0.00 O ATOM 79 OD2 ASP A 297 7.362 6.729 -5.145 1.00 0.00 O ATOM 0 H ASP A 297 3.892 4.913 -3.001 1.00 0.00 H new ATOM 0 HA ASP A 297 5.152 6.740 -2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 297 4.292 6.818 -5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.303 8.091 -5.065 1.00 0.00 H new ATOM 84 N GLU A 298 2.404 7.872 -2.623 1.00 0.00 N ATOM 85 CA GLU A 298 1.520 8.948 -2.198 1.00 0.00 C ATOM 86 C GLU A 298 0.273 8.381 -1.538 1.00 0.00 C ATOM 87 O GLU A 298 -0.704 8.041 -2.206 1.00 0.00 O ATOM 88 CB GLU A 298 1.138 9.850 -3.374 1.00 0.00 C ATOM 89 CG GLU A 298 0.000 10.815 -3.072 1.00 0.00 C ATOM 90 CD GLU A 298 -0.346 11.697 -4.257 1.00 0.00 C ATOM 91 OE1 GLU A 298 0.343 12.719 -4.458 1.00 0.00 O ATOM 92 OE2 GLU A 298 -1.306 11.365 -4.983 1.00 0.00 O ATOM 0 H GLU A 298 2.052 6.938 -2.415 1.00 0.00 H new ATOM 0 HA GLU A 298 2.058 9.555 -1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 298 2.014 10.422 -3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 298 0.855 9.225 -4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -0.883 10.249 -2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 298 0.276 11.443 -2.225 1.00 0.00 H new ATOM 99 N CYS A 299 0.326 8.273 -0.220 1.00 0.00 N ATOM 100 CA CYS A 299 -0.787 7.750 0.552 1.00 0.00 C ATOM 101 C CYS A 299 -2.040 8.603 0.348 1.00 0.00 C ATOM 102 O CYS A 299 -2.041 9.804 0.623 1.00 0.00 O ATOM 103 CB CYS A 299 -0.387 7.696 2.017 1.00 0.00 C ATOM 104 SG CYS A 299 -1.735 7.980 3.196 1.00 0.00 S ATOM 0 H CYS A 299 1.135 8.543 0.340 1.00 0.00 H new ATOM 0 HA CYS A 299 -1.027 6.743 0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.053 6.720 2.221 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.391 8.439 2.193 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.351 8.836 4.096 1.00 0.00 H new ATOM 109 N ALA A 300 -3.107 7.959 -0.118 1.00 0.00 N ATOM 110 CA ALA A 300 -4.370 8.635 -0.411 1.00 0.00 C ATOM 111 C ALA A 300 -5.071 9.203 0.826 1.00 0.00 C ATOM 112 O ALA A 300 -6.224 9.624 0.739 1.00 0.00 O ATOM 113 CB ALA A 300 -5.305 7.681 -1.140 1.00 0.00 C ATOM 0 H ALA A 300 -3.122 6.956 -0.303 1.00 0.00 H new ATOM 0 HA ALA A 300 -4.122 9.489 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -6.245 8.188 -1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.842 7.360 -2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.498 6.811 -0.513 1.00 0.00 H new ATOM 119 N VAL A 301 -4.397 9.221 1.973 1.00 0.00 N ATOM 120 CA VAL A 301 -5.013 9.756 3.186 1.00 0.00 C ATOM 121 C VAL A 301 -4.202 10.903 3.785 1.00 0.00 C ATOM 122 O VAL A 301 -4.765 11.788 4.432 1.00 0.00 O ATOM 123 CB VAL A 301 -5.245 8.661 4.261 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.878 7.289 3.732 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.478 8.964 5.542 1.00 0.00 C ATOM 0 H VAL A 301 -3.443 8.879 2.089 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.984 10.144 2.877 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.309 8.662 4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -5.051 6.542 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.493 7.058 2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.826 7.279 3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.664 8.176 6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.411 9.013 5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.810 9.920 5.947 1.00 0.00 H new ATOM 135 N CYS A 302 -2.888 10.903 3.574 1.00 0.00 N ATOM 136 CA CYS A 302 -2.051 11.959 4.135 1.00 0.00 C ATOM 137 C CYS A 302 -0.857 12.286 3.238 1.00 0.00 C ATOM 138 O CYS A 302 0.172 12.761 3.718 1.00 0.00 O ATOM 139 CB CYS A 302 -1.585 11.576 5.550 1.00 0.00 C ATOM 140 SG CYS A 302 -0.139 10.464 5.623 1.00 0.00 S ATOM 0 H CYS A 302 -2.388 10.199 3.030 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.659 12.862 4.196 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.348 12.489 6.096 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.415 11.100 6.071 1.00 0.00 H new ATOM 0 HG CYS A 302 -0.511 9.296 6.055 1.00 0.00 H new ATOM 145 N ARG A 303 -1.023 12.048 1.931 1.00 0.00 N ATOM 146 CA ARG A 303 0.016 12.330 0.928 1.00 0.00 C ATOM 147 C ARG A 303 1.420 12.294 1.523 1.00 0.00 C ATOM 148 O ARG A 303 2.165 13.273 1.444 1.00 0.00 O ATOM 149 CB ARG A 303 -0.230 13.694 0.279 1.00 0.00 C ATOM 150 CG ARG A 303 -1.219 13.662 -0.878 1.00 0.00 C ATOM 151 CD ARG A 303 -2.622 13.303 -0.414 1.00 0.00 C ATOM 152 NE ARG A 303 -3.597 13.409 -1.497 1.00 0.00 N ATOM 153 CZ ARG A 303 -4.914 13.403 -1.307 1.00 0.00 C ATOM 154 NH1 ARG A 303 -5.410 13.295 -0.082 1.00 0.00 N ATOM 155 NH2 ARG A 303 -5.735 13.503 -2.344 1.00 0.00 N ATOM 0 H ARG A 303 -1.878 11.656 1.538 1.00 0.00 H new ATOM 0 HA ARG A 303 -0.046 11.544 0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -0.597 14.385 1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.720 14.090 -0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -1.236 14.636 -1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -0.886 12.937 -1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -2.625 12.287 -0.020 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -2.914 13.962 0.403 1.00 0.00 H new ATOM 0 HE ARG A 303 -3.249 13.492 -2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -4.782 13.216 0.718 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -6.420 13.291 0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -5.357 13.585 -3.288 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -6.744 13.498 -2.198 1.00 0.00 H new ATOM 169 N ASP A 304 1.773 11.164 2.123 1.00 0.00 N ATOM 170 CA ASP A 304 3.088 11.000 2.726 1.00 0.00 C ATOM 171 C ASP A 304 3.719 9.689 2.268 1.00 0.00 C ATOM 172 O ASP A 304 3.023 8.791 1.787 1.00 0.00 O ATOM 173 CB ASP A 304 2.981 11.046 4.254 1.00 0.00 C ATOM 174 CG ASP A 304 4.319 10.850 4.939 1.00 0.00 C ATOM 175 OD1 ASP A 304 5.141 11.790 4.917 1.00 0.00 O ATOM 176 OD2 ASP A 304 4.544 9.757 5.500 1.00 0.00 O ATOM 0 H ASP A 304 1.166 10.348 2.205 1.00 0.00 H new ATOM 0 HA ASP A 304 3.728 11.821 2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.559 12.005 4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 304 2.289 10.274 4.589 1.00 0.00 H new ATOM 181 N GLY A 305 5.037 9.587 2.412 1.00 0.00 N ATOM 182 CA GLY A 305 5.737 8.388 1.992 1.00 0.00 C ATOM 183 C GLY A 305 5.872 7.355 3.092 1.00 0.00 C ATOM 184 O GLY A 305 5.589 7.629 4.258 1.00 0.00 O ATOM 0 H GLY A 305 5.632 10.313 2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 305 5.208 7.944 1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.730 8.662 1.636 1.00 0.00 H new ATOM 188 N GLY A 306 6.322 6.165 2.707 1.00 0.00 N ATOM 189 CA GLY A 306 6.485 5.073 3.648 1.00 0.00 C ATOM 190 C GLY A 306 5.835 3.810 3.126 1.00 0.00 C ATOM 191 O GLY A 306 5.548 3.714 1.934 1.00 0.00 O ATOM 0 H GLY A 306 6.580 5.936 1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.546 4.895 3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.043 5.345 4.607 1.00 0.00 H new ATOM 195 N GLU A 307 5.599 2.835 3.997 1.00 0.00 N ATOM 196 CA GLU A 307 4.964 1.601 3.570 1.00 0.00 C ATOM 197 C GLU A 307 3.511 1.866 3.200 1.00 0.00 C ATOM 198 O GLU A 307 2.695 2.194 4.062 1.00 0.00 O ATOM 199 CB GLU A 307 5.042 0.556 4.685 1.00 0.00 C ATOM 200 CG GLU A 307 4.306 -0.738 4.368 1.00 0.00 C ATOM 201 CD GLU A 307 4.781 -1.390 3.083 1.00 0.00 C ATOM 202 OE1 GLU A 307 4.380 -0.925 1.996 1.00 0.00 O ATOM 203 OE2 GLU A 307 5.552 -2.369 3.164 1.00 0.00 O ATOM 0 H GLU A 307 5.835 2.876 4.988 1.00 0.00 H new ATOM 0 HA GLU A 307 5.487 1.218 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.089 0.328 4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.630 0.983 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.438 -1.437 5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 307 3.238 -0.533 4.292 1.00 0.00 H new ATOM 210 N LEU A 308 3.189 1.725 1.918 1.00 0.00 N ATOM 211 CA LEU A 308 1.824 1.946 1.460 1.00 0.00 C ATOM 212 C LEU A 308 1.270 0.700 0.784 1.00 0.00 C ATOM 213 O LEU A 308 1.997 -0.041 0.128 1.00 0.00 O ATOM 214 CB LEU A 308 1.727 3.119 0.476 1.00 0.00 C ATOM 215 CG LEU A 308 2.795 4.199 0.569 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.655 5.149 -0.613 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.645 4.954 1.866 1.00 0.00 C ATOM 0 H LEU A 308 3.848 1.461 1.185 1.00 0.00 H new ATOM 0 HA LEU A 308 1.237 2.183 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.745 2.713 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.755 3.593 0.612 1.00 0.00 H new ATOM 0 HG LEU A 308 3.783 3.740 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.419 5.924 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.778 4.594 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.668 5.610 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.412 5.726 1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.659 5.417 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.755 4.265 2.703 1.00 0.00 H new ATOM 229 N ILE A 309 -0.026 0.483 0.954 1.00 0.00 N ATOM 230 CA ILE A 309 -0.708 -0.651 0.351 1.00 0.00 C ATOM 231 C ILE A 309 -1.582 -0.185 -0.804 1.00 0.00 C ATOM 232 O ILE A 309 -2.649 0.395 -0.600 1.00 0.00 O ATOM 233 CB ILE A 309 -1.575 -1.392 1.383 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.429 -2.464 0.703 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.448 -0.413 2.140 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.222 -3.307 1.677 1.00 0.00 C ATOM 0 H ILE A 309 -0.632 1.086 1.511 1.00 0.00 H new ATOM 0 HA ILE A 309 0.053 -1.338 -0.020 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.914 -1.887 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -3.116 -1.983 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.782 -3.114 0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -3.055 -0.953 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.819 0.310 2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.099 0.110 1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.805 -4.046 1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.539 -3.816 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.894 -2.667 2.249 1.00 0.00 H new ATOM 248 N CYS A 310 -1.122 -0.434 -2.018 1.00 0.00 N ATOM 249 CA CYS A 310 -1.857 -0.025 -3.203 1.00 0.00 C ATOM 250 C CYS A 310 -3.092 -0.887 -3.425 1.00 0.00 C ATOM 251 O CYS A 310 -3.089 -2.086 -3.147 1.00 0.00 O ATOM 252 CB CYS A 310 -0.953 -0.085 -4.427 1.00 0.00 C ATOM 253 SG CYS A 310 -1.842 -0.231 -5.995 1.00 0.00 S ATOM 0 H CYS A 310 -0.244 -0.917 -2.209 1.00 0.00 H new ATOM 0 HA CYS A 310 -2.190 1.001 -3.048 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.336 0.813 -4.454 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -0.277 -0.934 -4.325 1.00 0.00 H new ATOM 0 HG CYS A 310 -0.994 -0.192 -6.980 1.00 0.00 H new ATOM 259 N CYS A 311 -4.146 -0.256 -3.931 1.00 0.00 N ATOM 260 CA CYS A 311 -5.395 -0.951 -4.208 1.00 0.00 C ATOM 261 C CYS A 311 -5.272 -1.790 -5.474 1.00 0.00 C ATOM 262 O CYS A 311 -4.700 -1.349 -6.472 1.00 0.00 O ATOM 263 CB CYS A 311 -6.541 0.052 -4.349 1.00 0.00 C ATOM 264 SG CYS A 311 -8.133 -0.702 -4.815 1.00 0.00 S ATOM 0 H CYS A 311 -4.159 0.738 -4.158 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.611 -1.616 -3.372 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.664 0.582 -3.405 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -6.269 0.795 -5.099 1.00 0.00 H new ATOM 0 HG CYS A 311 -8.528 -0.214 -5.953 1.00 0.00 H new ATOM 269 N ASP A 312 -5.816 -3.001 -5.424 1.00 0.00 N ATOM 270 CA ASP A 312 -5.765 -3.919 -6.557 1.00 0.00 C ATOM 271 C ASP A 312 -6.515 -3.358 -7.763 1.00 0.00 C ATOM 272 O ASP A 312 -6.496 -3.950 -8.843 1.00 0.00 O ATOM 273 CB ASP A 312 -6.355 -5.274 -6.159 1.00 0.00 C ATOM 274 CG ASP A 312 -6.229 -6.309 -7.259 1.00 0.00 C ATOM 275 OD1 ASP A 312 -5.168 -6.963 -7.341 1.00 0.00 O ATOM 276 OD2 ASP A 312 -7.193 -6.467 -8.039 1.00 0.00 O ATOM 0 H ASP A 312 -6.300 -3.372 -4.606 1.00 0.00 H new ATOM 0 HA ASP A 312 -4.720 -4.046 -6.840 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -5.850 -5.637 -5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -7.407 -5.147 -5.903 1.00 0.00 H new ATOM 281 N GLY A 313 -7.172 -2.215 -7.580 1.00 0.00 N ATOM 282 CA GLY A 313 -7.915 -1.613 -8.671 1.00 0.00 C ATOM 283 C GLY A 313 -7.701 -0.115 -8.794 1.00 0.00 C ATOM 284 O GLY A 313 -8.362 0.540 -9.601 1.00 0.00 O ATOM 0 H GLY A 313 -7.202 -1.699 -6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -7.624 -2.092 -9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -8.978 -1.810 -8.529 1.00 0.00 H new ATOM 288 N CYS A 314 -6.782 0.437 -8.004 1.00 0.00 N ATOM 289 CA CYS A 314 -6.511 1.871 -8.058 1.00 0.00 C ATOM 290 C CYS A 314 -5.025 2.179 -7.843 1.00 0.00 C ATOM 291 O CYS A 314 -4.321 1.442 -7.155 1.00 0.00 O ATOM 292 CB CYS A 314 -7.342 2.619 -7.012 1.00 0.00 C ATOM 293 SG CYS A 314 -9.123 2.227 -7.041 1.00 0.00 S ATOM 0 H CYS A 314 -6.219 -0.079 -7.328 1.00 0.00 H new ATOM 0 HA CYS A 314 -6.791 2.210 -9.055 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -6.948 2.390 -6.022 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -7.216 3.691 -7.165 1.00 0.00 H new ATOM 0 HG CYS A 314 -9.586 2.223 -5.826 1.00 0.00 H new ATOM 298 N PRO A 315 -4.547 3.297 -8.419 1.00 0.00 N ATOM 299 CA PRO A 315 -3.148 3.740 -8.312 1.00 0.00 C ATOM 300 C PRO A 315 -2.841 4.274 -6.924 1.00 0.00 C ATOM 301 O PRO A 315 -1.738 4.749 -6.653 1.00 0.00 O ATOM 302 CB PRO A 315 -3.048 4.882 -9.337 1.00 0.00 C ATOM 303 CG PRO A 315 -4.314 4.828 -10.126 1.00 0.00 C ATOM 304 CD PRO A 315 -5.340 4.244 -9.205 1.00 0.00 C ATOM 0 HA PRO A 315 -2.446 2.926 -8.491 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -2.937 5.846 -8.840 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.179 4.754 -9.982 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -4.609 5.822 -10.461 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -4.194 4.214 -11.018 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -5.804 5.005 -8.578 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.142 3.748 -9.751 1.00 0.00 H new ATOM 312 N ARG A 316 -3.831 4.178 -6.049 1.00 0.00 N ATOM 313 CA ARG A 316 -3.699 4.668 -4.687 1.00 0.00 C ATOM 314 C ARG A 316 -2.946 3.688 -3.808 1.00 0.00 C ATOM 315 O ARG A 316 -2.655 2.565 -4.212 1.00 0.00 O ATOM 316 CB ARG A 316 -5.075 4.928 -4.083 1.00 0.00 C ATOM 317 CG ARG A 316 -5.708 6.231 -4.530 1.00 0.00 C ATOM 318 CD ARG A 316 -7.113 6.367 -3.970 1.00 0.00 C ATOM 319 NE ARG A 316 -8.082 5.587 -4.736 1.00 0.00 N ATOM 320 CZ ARG A 316 -9.392 5.609 -4.511 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.891 6.363 -3.541 1.00 0.00 N ATOM 322 NH2 ARG A 316 -10.205 4.874 -5.257 1.00 0.00 N ATOM 0 H ARG A 316 -4.738 3.763 -6.260 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.131 5.597 -4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.738 4.104 -4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.989 4.932 -2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.097 7.070 -4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.740 6.270 -5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.123 6.039 -2.931 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -7.406 7.417 -3.976 1.00 0.00 H new ATOM 0 HE ARG A 316 -7.733 4.991 -5.487 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -9.269 6.929 -2.964 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.897 6.377 -3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -9.825 4.292 -6.003 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -11.210 4.891 -5.084 1.00 0.00 H new ATOM 336 N ALA A 317 -2.645 4.143 -2.602 1.00 0.00 N ATOM 337 CA ALA A 317 -1.941 3.349 -1.609 1.00 0.00 C ATOM 338 C ALA A 317 -2.253 3.903 -0.224 1.00 0.00 C ATOM 339 O ALA A 317 -2.580 5.082 -0.091 1.00 0.00 O ATOM 340 CB ALA A 317 -0.451 3.372 -1.872 1.00 0.00 C ATOM 0 H ALA A 317 -2.885 5.082 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.272 2.312 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.061 2.772 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.250 2.961 -2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.089 4.399 -1.825 1.00 0.00 H new ATOM 346 N PHE A 318 -2.159 3.074 0.808 1.00 0.00 N ATOM 347 CA PHE A 318 -2.477 3.531 2.158 1.00 0.00 C ATOM 348 C PHE A 318 -1.424 3.130 3.187 1.00 0.00 C ATOM 349 O PHE A 318 -0.773 2.096 3.068 1.00 0.00 O ATOM 350 CB PHE A 318 -3.848 2.984 2.563 1.00 0.00 C ATOM 351 CG PHE A 318 -4.991 3.612 1.826 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.235 3.280 0.513 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.824 4.526 2.446 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.284 3.841 -0.178 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.880 5.098 1.762 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.111 4.755 0.445 1.00 0.00 C ATOM 0 H PHE A 318 -1.870 2.098 0.741 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.491 4.621 2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.865 1.908 2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -3.989 3.138 3.633 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.593 2.567 0.017 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.647 4.796 3.477 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.461 3.567 -1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.523 5.811 2.257 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.934 5.199 -0.095 1.00 0.00 H new ATOM 366 N HIS A 319 -1.279 3.965 4.210 1.00 0.00 N ATOM 367 CA HIS A 319 -0.318 3.723 5.281 1.00 0.00 C ATOM 368 C HIS A 319 -0.849 2.700 6.278 1.00 0.00 C ATOM 369 O HIS A 319 -0.594 2.814 7.475 1.00 0.00 O ATOM 370 CB HIS A 319 -0.031 5.019 6.028 1.00 0.00 C ATOM 371 CG HIS A 319 1.114 5.802 5.498 1.00 0.00 C ATOM 372 ND1 HIS A 319 1.004 7.132 5.178 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.394 5.450 5.246 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.175 7.573 4.753 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.036 6.571 4.783 1.00 0.00 N ATOM 0 H HIS A 319 -1.820 4.823 4.321 1.00 0.00 H new ATOM 0 HA HIS A 319 0.594 3.338 4.824 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -0.924 5.643 6.000 1.00 0.00 H new ATOM 0 HB3 HIS A 319 0.161 4.784 7.075 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.830 4.471 5.383 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.392 8.582 4.435 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.017 6.622 4.507 1.00 0.00 H new ATOM 383 N LEU A 320 -1.598 1.717 5.787 1.00 0.00 N ATOM 384 CA LEU A 320 -2.163 0.682 6.648 1.00 0.00 C ATOM 385 C LEU A 320 -3.161 1.279 7.631 1.00 0.00 C ATOM 386 O LEU A 320 -4.372 1.183 7.441 1.00 0.00 O ATOM 387 CB LEU A 320 -1.056 -0.027 7.419 1.00 0.00 C ATOM 388 CG LEU A 320 0.008 -0.727 6.570 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.428 -2.011 7.232 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.503 -1.007 5.168 1.00 0.00 C ATOM 0 H LEU A 320 -1.828 1.615 4.798 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.681 -0.037 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.560 0.703 8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.514 -0.767 8.076 1.00 0.00 H new ATOM 0 HG LEU A 320 0.869 -0.063 6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.185 -2.504 6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.840 -1.794 8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.437 -2.666 7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.275 -1.505 4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.381 -1.650 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.770 -0.068 4.684 1.00 0.00 H new ATOM 402 N ALA A 321 -2.634 1.890 8.685 1.00 0.00 N ATOM 403 CA ALA A 321 -3.458 2.514 9.704 1.00 0.00 C ATOM 404 C ALA A 321 -4.103 3.787 9.175 1.00 0.00 C ATOM 405 O ALA A 321 -5.051 4.306 9.766 1.00 0.00 O ATOM 406 CB ALA A 321 -2.620 2.803 10.934 1.00 0.00 C ATOM 0 H ALA A 321 -1.631 1.965 8.854 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.259 1.827 9.978 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.242 3.271 11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.210 1.871 11.322 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.804 3.475 10.669 1.00 0.00 H new ATOM 412 N CYS A 322 -3.582 4.290 8.057 1.00 0.00 N ATOM 413 CA CYS A 322 -4.134 5.503 7.444 1.00 0.00 C ATOM 414 C CYS A 322 -5.488 5.190 6.819 1.00 0.00 C ATOM 415 O CYS A 322 -6.193 6.079 6.342 1.00 0.00 O ATOM 416 CB CYS A 322 -3.184 6.075 6.386 1.00 0.00 C ATOM 417 SG CYS A 322 -2.064 7.386 7.007 1.00 0.00 S ATOM 0 H CYS A 322 -2.789 3.885 7.560 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.257 6.255 8.223 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.582 5.263 5.978 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.775 6.478 5.564 1.00 0.00 H new ATOM 0 HG CYS A 322 -0.949 7.356 6.340 1.00 0.00 H new ATOM 422 N LEU A 323 -5.833 3.909 6.835 1.00 0.00 N ATOM 423 CA LEU A 323 -7.093 3.426 6.288 1.00 0.00 C ATOM 424 C LEU A 323 -8.214 3.579 7.299 1.00 0.00 C ATOM 425 O LEU A 323 -7.953 3.637 8.501 1.00 0.00 O ATOM 426 CB LEU A 323 -6.965 1.942 5.945 1.00 0.00 C ATOM 427 CG LEU A 323 -6.388 1.625 4.584 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.815 0.217 4.575 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.465 1.781 3.530 1.00 0.00 C ATOM 0 H LEU A 323 -5.245 3.174 7.229 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.322 4.012 5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.341 1.467 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.953 1.487 6.014 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.578 2.319 4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.402 -0.001 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -5.027 0.140 5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.605 -0.499 4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.049 1.553 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.286 1.097 3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.836 2.806 3.537 1.00 0.00 H new ATOM 441 N SER A 324 -9.461 3.656 6.830 1.00 0.00 N ATOM 442 CA SER A 324 -10.574 3.731 7.765 1.00 0.00 C ATOM 443 C SER A 324 -10.422 2.537 8.702 1.00 0.00 C ATOM 444 O SER A 324 -10.395 2.701 9.923 1.00 0.00 O ATOM 445 CB SER A 324 -11.935 3.753 7.054 1.00 0.00 C ATOM 446 OG SER A 324 -12.999 3.630 7.984 1.00 0.00 O ATOM 0 H SER A 324 -9.716 3.668 5.843 1.00 0.00 H new ATOM 0 HA SER A 324 -10.549 4.666 8.325 1.00 0.00 H new ATOM 0 HB2 SER A 324 -12.042 4.683 6.495 1.00 0.00 H new ATOM 0 HB3 SER A 324 -11.984 2.939 6.331 1.00 0.00 H new ATOM 0 HG SER A 324 -13.855 3.648 7.506 1.00 0.00 H new ATOM 452 N PRO A 325 -10.314 1.309 8.141 1.00 0.00 N ATOM 453 CA PRO A 325 -10.041 0.118 8.908 1.00 0.00 C ATOM 454 C PRO A 325 -8.563 -0.224 8.755 1.00 0.00 C ATOM 455 O PRO A 325 -8.084 -0.421 7.638 1.00 0.00 O ATOM 456 CB PRO A 325 -10.922 -0.918 8.237 1.00 0.00 C ATOM 457 CG PRO A 325 -11.020 -0.483 6.802 1.00 0.00 C ATOM 458 CD PRO A 325 -10.518 0.945 6.724 1.00 0.00 C ATOM 0 HA PRO A 325 -10.239 0.199 9.977 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.489 -1.915 8.317 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.906 -0.960 8.704 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.424 -1.134 6.162 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -12.050 -0.547 6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.592 1.016 6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.242 1.600 6.240 1.00 0.00 H new ATOM 466 N PRO A 326 -7.812 -0.305 9.855 1.00 0.00 N ATOM 467 CA PRO A 326 -6.379 -0.548 9.791 1.00 0.00 C ATOM 468 C PRO A 326 -5.999 -1.996 9.580 1.00 0.00 C ATOM 469 O PRO A 326 -6.642 -2.917 10.081 1.00 0.00 O ATOM 470 CB PRO A 326 -5.893 -0.038 11.129 1.00 0.00 C ATOM 471 CG PRO A 326 -7.020 -0.311 12.061 1.00 0.00 C ATOM 472 CD PRO A 326 -8.291 -0.210 11.243 1.00 0.00 C ATOM 0 HA PRO A 326 -5.929 -0.053 8.930 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -4.984 -0.551 11.443 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.660 1.026 11.088 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.923 -1.301 12.506 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -7.028 0.408 12.880 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.988 -1.013 11.483 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.812 0.730 11.425 1.00 0.00 H new ATOM 480 N LEU A 327 -4.933 -2.160 8.819 1.00 0.00 N ATOM 481 CA LEU A 327 -4.403 -3.460 8.483 1.00 0.00 C ATOM 482 C LEU A 327 -3.340 -3.902 9.479 1.00 0.00 C ATOM 483 O LEU A 327 -2.144 -3.743 9.229 1.00 0.00 O ATOM 484 CB LEU A 327 -3.808 -3.397 7.084 1.00 0.00 C ATOM 485 CG LEU A 327 -4.701 -2.726 6.059 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.946 -2.473 4.781 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.914 -3.581 5.799 1.00 0.00 C ATOM 0 H LEU A 327 -4.408 -1.384 8.415 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.212 -4.190 8.519 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.859 -2.862 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.587 -4.411 6.749 1.00 0.00 H new ATOM 0 HG LEU A 327 -5.027 -1.764 6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.605 -1.991 4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -3.094 -1.825 4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.592 -3.420 4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.552 -3.093 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.599 -4.553 5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.470 -3.716 6.727 1.00 0.00 H new ATOM 499 N ARG A 328 -3.777 -4.439 10.617 1.00 0.00 N ATOM 500 CA ARG A 328 -2.848 -4.931 11.633 1.00 0.00 C ATOM 501 C ARG A 328 -1.819 -5.834 10.972 1.00 0.00 C ATOM 502 O ARG A 328 -0.718 -6.043 11.480 1.00 0.00 O ATOM 503 CB ARG A 328 -3.600 -5.719 12.700 1.00 0.00 C ATOM 504 CG ARG A 328 -4.658 -4.920 13.423 1.00 0.00 C ATOM 505 CD ARG A 328 -5.396 -5.774 14.442 1.00 0.00 C ATOM 506 NE ARG A 328 -6.453 -5.031 15.121 1.00 0.00 N ATOM 507 CZ ARG A 328 -7.423 -5.609 15.824 1.00 0.00 C ATOM 508 NH1 ARG A 328 -7.471 -6.930 15.935 1.00 0.00 N ATOM 509 NH2 ARG A 328 -8.347 -4.866 16.417 1.00 0.00 N ATOM 0 H ARG A 328 -4.763 -4.544 10.858 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.353 -4.082 12.104 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.069 -6.585 12.234 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -2.884 -6.098 13.429 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -4.195 -4.070 13.925 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -5.368 -4.516 12.701 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -5.827 -6.642 13.942 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -4.687 -6.150 15.180 1.00 0.00 H new ATOM 0 HE ARG A 328 -6.448 -4.013 15.053 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -6.763 -7.506 15.480 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -8.216 -7.370 16.475 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -8.315 -3.850 16.334 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -9.090 -5.310 16.956 1.00 0.00 H new ATOM 523 N GLU A 329 -2.218 -6.361 9.826 1.00 0.00 N ATOM 524 CA GLU A 329 -1.388 -7.243 9.027 1.00 0.00 C ATOM 525 C GLU A 329 -1.906 -7.247 7.598 1.00 0.00 C ATOM 526 O GLU A 329 -3.059 -7.598 7.349 1.00 0.00 O ATOM 527 CB GLU A 329 -1.388 -8.661 9.602 1.00 0.00 C ATOM 528 CG GLU A 329 -2.778 -9.179 9.925 1.00 0.00 C ATOM 529 CD GLU A 329 -2.759 -10.572 10.523 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.602 -10.685 11.757 1.00 0.00 O ATOM 531 OE2 GLU A 329 -2.902 -11.549 9.758 1.00 0.00 O ATOM 0 H GLU A 329 -3.138 -6.186 9.421 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.360 -6.881 9.042 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -0.914 -9.335 8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.782 -8.678 10.508 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.263 -8.496 10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.379 -9.187 9.016 1.00 0.00 H new ATOM 538 N ILE A 330 -1.051 -6.841 6.672 1.00 0.00 N ATOM 539 CA ILE A 330 -1.410 -6.758 5.269 1.00 0.00 C ATOM 540 C ILE A 330 -2.268 -7.938 4.807 1.00 0.00 C ATOM 541 O ILE A 330 -1.975 -9.093 5.116 1.00 0.00 O ATOM 542 CB ILE A 330 -0.148 -6.647 4.414 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.558 -5.342 4.775 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.479 -6.706 2.926 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.216 -4.110 4.408 1.00 0.00 C ATOM 0 H ILE A 330 -0.091 -6.561 6.874 1.00 0.00 H new ATOM 0 HA ILE A 330 -2.018 -5.862 5.143 1.00 0.00 H new ATOM 0 HB ILE A 330 0.511 -7.491 4.618 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.753 -5.331 5.847 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.526 -5.314 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.440 -6.624 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.969 -7.653 2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.145 -5.883 2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.351 -3.225 4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.389 -4.096 3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.173 -4.113 4.929 1.00 0.00 H new ATOM 557 N PRO A 331 -3.350 -7.635 4.058 1.00 0.00 N ATOM 558 CA PRO A 331 -4.288 -8.635 3.533 1.00 0.00 C ATOM 559 C PRO A 331 -3.604 -9.906 3.041 1.00 0.00 C ATOM 560 O PRO A 331 -2.469 -9.864 2.565 1.00 0.00 O ATOM 561 CB PRO A 331 -4.933 -7.894 2.371 1.00 0.00 C ATOM 562 CG PRO A 331 -4.975 -6.482 2.831 1.00 0.00 C ATOM 563 CD PRO A 331 -3.745 -6.270 3.661 1.00 0.00 C ATOM 0 HA PRO A 331 -4.983 -8.985 4.296 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.350 -8.000 1.456 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -5.932 -8.275 2.158 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -4.994 -5.798 1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.875 -6.290 3.415 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -2.958 -5.775 3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.951 -5.644 4.529 1.00 0.00 H new ATOM 571 N SER A 332 -4.306 -11.030 3.149 1.00 0.00 N ATOM 572 CA SER A 332 -3.763 -12.315 2.721 1.00 0.00 C ATOM 573 C SER A 332 -3.272 -12.247 1.279 1.00 0.00 C ATOM 574 O SER A 332 -2.071 -12.338 1.017 1.00 0.00 O ATOM 575 CB SER A 332 -4.817 -13.408 2.859 1.00 0.00 C ATOM 576 OG SER A 332 -5.489 -13.318 4.104 1.00 0.00 O ATOM 0 H SER A 332 -5.251 -11.077 3.529 1.00 0.00 H new ATOM 0 HA SER A 332 -2.915 -12.553 3.363 1.00 0.00 H new ATOM 0 HB2 SER A 332 -5.539 -13.325 2.046 1.00 0.00 H new ATOM 0 HB3 SER A 332 -4.345 -14.386 2.768 1.00 0.00 H new ATOM 0 HG SER A 332 -6.160 -14.029 4.166 1.00 0.00 H new ATOM 582 N GLY A 333 -4.208 -12.084 0.349 1.00 0.00 N ATOM 583 CA GLY A 333 -3.855 -12.004 -1.056 1.00 0.00 C ATOM 584 C GLY A 333 -4.147 -10.642 -1.652 1.00 0.00 C ATOM 585 O GLY A 333 -3.306 -9.742 -1.604 1.00 0.00 O ATOM 0 H GLY A 333 -5.206 -12.006 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -2.795 -12.229 -1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -4.406 -12.765 -1.609 1.00 0.00 H new ATOM 589 N THR A 334 -5.343 -10.489 -2.215 1.00 0.00 N ATOM 590 CA THR A 334 -5.751 -9.229 -2.826 1.00 0.00 C ATOM 591 C THR A 334 -6.241 -8.238 -1.774 1.00 0.00 C ATOM 592 O THR A 334 -6.219 -8.529 -0.577 1.00 0.00 O ATOM 593 CB THR A 334 -6.860 -9.449 -3.871 1.00 0.00 C ATOM 594 OG1 THR A 334 -7.960 -10.149 -3.280 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.333 -10.237 -5.061 1.00 0.00 C ATOM 0 H THR A 334 -6.048 -11.225 -2.260 1.00 0.00 H new ATOM 0 HA THR A 334 -4.872 -8.817 -3.322 1.00 0.00 H new ATOM 0 HB THR A 334 -7.197 -8.473 -4.221 1.00 0.00 H new ATOM 0 HG1 THR A 334 -8.661 -10.283 -3.951 1.00 0.00 H new ATOM 0 HG21 THR A 334 -7.134 -10.380 -5.786 1.00 0.00 H new ATOM 0 HG22 THR A 334 -5.515 -9.688 -5.528 1.00 0.00 H new ATOM 0 HG23 THR A 334 -5.972 -11.208 -4.723 1.00 0.00 H new ATOM 603 N TRP A 335 -6.690 -7.067 -2.227 1.00 0.00 N ATOM 604 CA TRP A 335 -7.177 -6.029 -1.324 1.00 0.00 C ATOM 605 C TRP A 335 -7.773 -4.863 -2.106 1.00 0.00 C ATOM 606 O TRP A 335 -7.357 -4.574 -3.228 1.00 0.00 O ATOM 607 CB TRP A 335 -6.038 -5.542 -0.427 1.00 0.00 C ATOM 608 CG TRP A 335 -6.400 -4.386 0.456 1.00 0.00 C ATOM 609 CD1 TRP A 335 -7.017 -4.446 1.673 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.157 -2.999 0.197 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.158 -3.184 2.193 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.642 -2.281 1.305 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.572 -2.291 -0.860 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.560 -0.898 1.387 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.495 -0.914 -0.775 1.00 0.00 C ATOM 616 CH2 TRP A 335 -5.985 -0.231 0.343 1.00 0.00 C ATOM 0 H TRP A 335 -6.726 -6.815 -3.215 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.964 -6.454 -0.701 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.703 -6.370 0.197 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.194 -5.255 -1.054 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.346 -5.354 2.156 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.579 -2.957 3.094 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.188 -2.811 -1.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -6.938 -0.367 2.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -5.049 -0.356 -1.585 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -5.907 0.845 0.381 1.00 0.00 H new ATOM 627 N ARG A 336 -8.749 -4.197 -1.500 1.00 0.00 N ATOM 628 CA ARG A 336 -9.420 -3.068 -2.128 1.00 0.00 C ATOM 629 C ARG A 336 -9.355 -1.826 -1.243 1.00 0.00 C ATOM 630 O ARG A 336 -9.188 -1.931 -0.030 1.00 0.00 O ATOM 631 CB ARG A 336 -10.873 -3.444 -2.404 1.00 0.00 C ATOM 632 CG ARG A 336 -11.038 -4.374 -3.587 1.00 0.00 C ATOM 633 CD ARG A 336 -12.485 -4.433 -4.013 1.00 0.00 C ATOM 634 NE ARG A 336 -12.820 -5.698 -4.660 1.00 0.00 N ATOM 635 CZ ARG A 336 -13.618 -5.797 -5.721 1.00 0.00 C ATOM 636 NH1 ARG A 336 -14.158 -4.708 -6.252 1.00 0.00 N ATOM 637 NH2 ARG A 336 -13.876 -6.985 -6.250 1.00 0.00 N ATOM 0 H ARG A 336 -9.094 -4.423 -0.567 1.00 0.00 H new ATOM 0 HA ARG A 336 -8.914 -2.833 -3.064 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.293 -3.918 -1.517 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.448 -2.536 -2.582 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -10.422 -4.029 -4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.689 -5.373 -3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -13.124 -4.293 -3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -12.694 -3.611 -4.697 1.00 0.00 H new ATOM 0 HE ARG A 336 -12.420 -6.555 -4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -13.962 -3.792 -5.847 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -14.769 -4.786 -7.065 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -13.463 -7.825 -5.844 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -14.488 -7.059 -7.063 1.00 0.00 H new ATOM 651 N CYS A 337 -9.483 -0.652 -1.858 1.00 0.00 N ATOM 652 CA CYS A 337 -9.443 0.604 -1.113 1.00 0.00 C ATOM 653 C CYS A 337 -10.835 0.957 -0.599 1.00 0.00 C ATOM 654 O CYS A 337 -11.830 0.557 -1.197 1.00 0.00 O ATOM 655 CB CYS A 337 -8.892 1.738 -1.985 1.00 0.00 C ATOM 656 SG CYS A 337 -9.997 2.274 -3.336 1.00 0.00 S ATOM 0 H CYS A 337 -9.614 -0.544 -2.864 1.00 0.00 H new ATOM 0 HA CYS A 337 -8.776 0.476 -0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.678 2.596 -1.348 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -7.944 1.417 -2.416 1.00 0.00 H new ATOM 0 HG CYS A 337 -10.434 1.232 -3.979 1.00 0.00 H new ATOM 661 N SER A 338 -10.894 1.688 0.518 1.00 0.00 N ATOM 662 CA SER A 338 -12.167 2.091 1.126 1.00 0.00 C ATOM 663 C SER A 338 -13.261 2.313 0.082 1.00 0.00 C ATOM 664 O SER A 338 -14.389 1.852 0.249 1.00 0.00 O ATOM 665 CB SER A 338 -11.976 3.363 1.954 1.00 0.00 C ATOM 666 OG SER A 338 -11.500 4.429 1.150 1.00 0.00 O ATOM 0 H SER A 338 -10.070 2.015 1.023 1.00 0.00 H new ATOM 0 HA SER A 338 -12.489 1.275 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 338 -12.922 3.646 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 338 -11.272 3.171 2.763 1.00 0.00 H new ATOM 0 HG SER A 338 -11.388 5.231 1.702 1.00 0.00 H new ATOM 672 N SER A 339 -12.929 3.026 -0.991 1.00 0.00 N ATOM 673 CA SER A 339 -13.890 3.293 -2.054 1.00 0.00 C ATOM 674 C SER A 339 -14.380 1.994 -2.686 1.00 0.00 C ATOM 675 O SER A 339 -15.586 1.765 -2.819 1.00 0.00 O ATOM 676 CB SER A 339 -13.256 4.186 -3.110 1.00 0.00 C ATOM 677 OG SER A 339 -14.160 4.450 -4.170 1.00 0.00 O ATOM 0 H SER A 339 -12.004 3.428 -1.146 1.00 0.00 H new ATOM 0 HA SER A 339 -14.751 3.804 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 339 -12.942 5.125 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 339 -12.360 3.707 -3.504 1.00 0.00 H new ATOM 0 HG SER A 339 -13.727 5.027 -4.833 1.00 0.00 H new ATOM 683 N CYS A 340 -13.434 1.140 -3.065 1.00 0.00 N ATOM 684 CA CYS A 340 -13.747 -0.135 -3.678 1.00 0.00 C ATOM 685 C CYS A 340 -14.475 -1.033 -2.690 1.00 0.00 C ATOM 686 O CYS A 340 -15.171 -1.969 -3.081 1.00 0.00 O ATOM 687 CB CYS A 340 -12.468 -0.815 -4.163 1.00 0.00 C ATOM 688 SG CYS A 340 -11.765 -0.096 -5.682 1.00 0.00 S ATOM 0 H CYS A 340 -12.435 1.316 -2.954 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.398 0.041 -4.534 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.721 -0.764 -3.371 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.676 -1.871 -4.337 1.00 0.00 H new ATOM 0 HG CYS A 340 -10.468 -0.177 -5.641 1.00 0.00 H new ATOM 693 N LEU A 341 -14.301 -0.745 -1.404 1.00 0.00 N ATOM 694 CA LEU A 341 -14.949 -1.515 -0.354 1.00 0.00 C ATOM 695 C LEU A 341 -16.449 -1.275 -0.362 1.00 0.00 C ATOM 696 O LEU A 341 -17.241 -2.217 -0.391 1.00 0.00 O ATOM 697 CB LEU A 341 -14.374 -1.151 1.012 1.00 0.00 C ATOM 698 CG LEU A 341 -13.224 -2.026 1.516 1.00 0.00 C ATOM 699 CD1 LEU A 341 -13.539 -3.495 1.323 1.00 0.00 C ATOM 700 CD2 LEU A 341 -11.935 -1.663 0.820 1.00 0.00 C ATOM 0 H LEU A 341 -13.715 0.018 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.761 -2.571 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -14.027 -0.118 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -15.180 -1.190 1.744 1.00 0.00 H new ATOM 0 HG LEU A 341 -13.102 -1.843 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -12.707 -4.097 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -14.442 -3.749 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -13.695 -3.698 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -11.130 -2.296 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -12.047 -1.812 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -11.696 -0.618 1.018 1.00 0.00 H new ATOM 803 N ALA B 1 -1.728 -8.223 0.140 1.00 0.00 N ATOM 804 CA ALA B 1 -1.936 -7.071 -0.775 1.00 0.00 C ATOM 805 C ALA B 1 -0.606 -6.460 -1.208 1.00 0.00 C ATOM 806 O ALA B 1 0.408 -6.606 -0.524 1.00 0.00 O ATOM 807 CB ALA B 1 -2.817 -6.022 -0.112 1.00 0.00 C ATOM 0 H1 ALA B 1 -2.110 -9.086 -0.296 1.00 0.00 H new ATOM 0 H2 ALA B 1 -0.711 -8.346 0.318 1.00 0.00 H new ATOM 0 H3 ALA B 1 -2.217 -8.044 1.040 1.00 0.00 H new ATOM 0 HA ALA B 1 -2.440 -7.437 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -2.961 -5.184 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.784 -6.461 0.132 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.338 -5.669 0.801 1.00 0.00 H new ATOM 815 N ARG B 2 -0.621 -5.777 -2.349 1.00 0.00 N ATOM 816 CA ARG B 2 0.582 -5.147 -2.884 1.00 0.00 C ATOM 817 C ARG B 2 0.955 -3.902 -2.086 1.00 0.00 C ATOM 818 O ARG B 2 0.443 -2.813 -2.342 1.00 0.00 O ATOM 819 CB ARG B 2 0.378 -4.779 -4.357 1.00 0.00 C ATOM 820 CG ARG B 2 0.107 -5.978 -5.251 1.00 0.00 C ATOM 821 CD ARG B 2 -0.187 -5.556 -6.681 1.00 0.00 C ATOM 822 NE ARG B 2 -0.212 -6.696 -7.594 1.00 0.00 N ATOM 823 CZ ARG B 2 -1.310 -7.131 -8.204 1.00 0.00 C ATOM 824 NH1 ARG B 2 -2.473 -6.528 -7.996 1.00 0.00 N ATOM 825 NH2 ARG B 2 -1.246 -8.172 -9.023 1.00 0.00 N ATOM 0 H ARG B 2 -1.455 -5.646 -2.922 1.00 0.00 H new ATOM 0 HA ARG B 2 1.399 -5.864 -2.802 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -0.455 -4.081 -4.437 1.00 0.00 H new ATOM 0 HB3 ARG B 2 1.265 -4.259 -4.719 1.00 0.00 H new ATOM 0 HG2 ARG B 2 0.970 -6.644 -5.238 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -0.738 -6.543 -4.857 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -1.147 -5.042 -6.717 1.00 0.00 H new ATOM 0 HD3 ARG B 2 0.569 -4.843 -7.011 1.00 0.00 H new ATOM 0 HE ARG B 2 0.664 -7.187 -7.774 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -2.527 -5.728 -7.366 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.313 -6.865 -8.466 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.354 -8.639 -9.185 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -2.089 -8.505 -9.491 1.00 0.00 H new ATOM 839 N THR B 3 1.852 -4.074 -1.119 1.00 0.00 N ATOM 840 CA THR B 3 2.301 -2.965 -0.284 1.00 0.00 C ATOM 841 C THR B 3 3.826 -2.844 -0.325 1.00 0.00 C ATOM 842 O THR B 3 4.540 -3.747 0.113 1.00 0.00 O ATOM 843 CB THR B 3 1.842 -3.136 1.179 1.00 0.00 C ATOM 844 OG1 THR B 3 2.820 -3.869 1.927 1.00 0.00 O ATOM 845 CG2 THR B 3 0.511 -3.866 1.242 1.00 0.00 C ATOM 0 H THR B 3 2.282 -4.971 -0.895 1.00 0.00 H new ATOM 0 HA THR B 3 1.852 -2.056 -0.685 1.00 0.00 H new ATOM 0 HB THR B 3 1.725 -2.143 1.613 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.456 -4.289 1.311 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.205 -3.976 2.282 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.243 -3.295 0.701 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.615 -4.852 0.788 1.00 0.00 H new ATOM 853 N LYS B 4 4.320 -1.730 -0.861 1.00 0.00 N ATOM 854 CA LYS B 4 5.762 -1.508 -0.955 1.00 0.00 C ATOM 855 C LYS B 4 6.157 -0.195 -0.282 1.00 0.00 C ATOM 856 O LYS B 4 5.462 0.814 -0.409 1.00 0.00 O ATOM 857 CB LYS B 4 6.210 -1.519 -2.425 1.00 0.00 C ATOM 858 CG LYS B 4 5.914 -0.232 -3.180 1.00 0.00 C ATOM 859 CD LYS B 4 7.149 0.648 -3.292 1.00 0.00 C ATOM 860 CE LYS B 4 6.894 1.856 -4.179 1.00 0.00 C ATOM 861 NZ LYS B 4 8.112 2.701 -4.330 1.00 0.00 N ATOM 0 H LYS B 4 3.749 -0.972 -1.234 1.00 0.00 H new ATOM 0 HA LYS B 4 6.267 -2.320 -0.432 1.00 0.00 H new ATOM 0 HB2 LYS B 4 7.282 -1.711 -2.464 1.00 0.00 H new ATOM 0 HB3 LYS B 4 5.719 -2.347 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS B 4 5.545 -0.471 -4.177 1.00 0.00 H new ATOM 0 HG3 LYS B 4 5.121 0.316 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS B 4 7.451 0.982 -2.299 1.00 0.00 H new ATOM 0 HD3 LYS B 4 7.976 0.066 -3.698 1.00 0.00 H new ATOM 0 HE2 LYS B 4 6.560 1.521 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS B 4 6.087 2.454 -3.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 7.837 3.703 -4.369 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 8.744 2.547 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 8.607 2.443 -5.208 1.00 0.00 H new ATOM 875 N GLN B 5 7.273 -0.221 0.439 1.00 0.00 N ATOM 876 CA GLN B 5 7.763 0.963 1.137 1.00 0.00 C ATOM 877 C GLN B 5 8.377 1.958 0.157 1.00 0.00 C ATOM 878 O GLN B 5 9.468 1.731 -0.368 1.00 0.00 O ATOM 879 CB GLN B 5 8.800 0.568 2.190 1.00 0.00 C ATOM 880 CG GLN B 5 9.345 1.747 2.981 1.00 0.00 C ATOM 881 CD GLN B 5 10.493 1.358 3.893 1.00 0.00 C ATOM 882 OE1 GLN B 5 11.248 0.431 3.598 1.00 0.00 O ATOM 883 NE2 GLN B 5 10.632 2.068 5.007 1.00 0.00 N ATOM 0 H GLN B 5 7.856 -1.050 0.556 1.00 0.00 H new ATOM 0 HA GLN B 5 6.915 1.439 1.630 1.00 0.00 H new ATOM 0 HB2 GLN B 5 8.350 -0.145 2.881 1.00 0.00 H new ATOM 0 HB3 GLN B 5 9.628 0.057 1.699 1.00 0.00 H new ATOM 0 HG2 GLN B 5 9.681 2.519 2.289 1.00 0.00 H new ATOM 0 HG3 GLN B 5 8.543 2.181 3.578 1.00 0.00 H new ATOM 0 HE21 GLN B 5 9.983 2.828 5.212 1.00 0.00 H new ATOM 0 HE22 GLN B 5 11.388 1.853 5.658 1.00 0.00 H new ATOM 892 N THR B 6 7.673 3.060 -0.085 1.00 0.00 N ATOM 893 CA THR B 6 8.160 4.083 -1.000 1.00 0.00 C ATOM 894 C THR B 6 8.833 5.224 -0.242 1.00 0.00 C ATOM 895 O THR B 6 8.256 5.799 0.679 1.00 0.00 O ATOM 896 CB THR B 6 7.027 4.649 -1.883 1.00 0.00 C ATOM 897 OG1 THR B 6 7.561 5.628 -2.778 1.00 0.00 O ATOM 898 CG2 THR B 6 5.921 5.276 -1.042 1.00 0.00 C ATOM 0 H THR B 6 6.768 3.265 0.338 1.00 0.00 H new ATOM 0 HA THR B 6 8.894 3.602 -1.647 1.00 0.00 H new ATOM 0 HB THR B 6 6.594 3.823 -2.447 1.00 0.00 H new ATOM 0 HG1 THR B 6 7.379 6.525 -2.428 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.141 5.664 -1.697 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.496 4.522 -0.379 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.334 6.091 -0.448 1.00 0.00 H new