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 324 SER OG : rot 180:sc= 0.0132 USER MOD Set 1.2: A 338 SER OG : rot -143:sc= 0.0158 USER MOD Set 2.1: A 311 CYS SG : rot 160:sc= 0.655 USER MOD Set 2.2: A 314 CYS SG : rot -44:sc= 0.0957 USER MOD Set 2.3: A 337 CYS SG : rot -130:sc= 0.224 USER MOD Set 2.4: A 340 CYS SG : rot 141:sc= 0.163 USER MOD Set 3.1: A 299 CYS SG : rot -138:sc= -3.61! USER MOD Set 3.2: A 302 CYS SG : rot -118:sc= -1.18 USER MOD Set 3.3: A 319 HIS : no HD1:sc= -1.24! C(o=-10!,f=-13!) USER MOD Set 3.4: A 322 CYS SG : rot 150:sc= -4.41! USER MOD Single : A 295 ASN : amide:sc= -6.16! C(o=-6.2!,f=-5.6!) USER MOD Single : A 310 CYS SG : rot 100:sc= -1.06 USER MOD Single : A 332 SER OG : rot 180:sc= 0.00801 USER MOD Single : A 334 THR OG1 : rot 180:sc= 0 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 145:sc= 0.01 (180deg=-0.127) USER MOD Single : B 3 THR OG1 : rot -9:sc= 0.639! USER MOD Single : B 4 LYS NZ :NH3+ -135:sc= 0.081 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= -0.787 K(o=-0.79,f=0) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 295 1.127 1.072 -7.870 1.00 0.00 N ATOM 44 CA ASN A 295 0.097 2.102 -7.835 1.00 0.00 C ATOM 45 C ASN A 295 0.680 3.423 -7.347 1.00 0.00 C ATOM 46 O ASN A 295 1.894 3.549 -7.190 1.00 0.00 O ATOM 47 CB ASN A 295 -1.060 1.669 -6.932 1.00 0.00 C ATOM 48 CG ASN A 295 -1.906 0.580 -7.564 1.00 0.00 C ATOM 49 OD1 ASN A 295 -1.962 0.452 -8.787 1.00 0.00 O ATOM 50 ND2 ASN A 295 -2.580 -0.207 -6.732 1.00 0.00 N ATOM 0 HA ASN A 295 -0.283 2.243 -8.847 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -0.663 1.312 -5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -1.688 2.532 -6.711 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -3.172 -0.951 -7.101 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -2.505 -0.067 -5.724 1.00 0.00 H new ATOM 57 N GLU A 296 -0.184 4.408 -7.111 1.00 0.00 N ATOM 58 CA GLU A 296 0.269 5.712 -6.639 1.00 0.00 C ATOM 59 C GLU A 296 1.140 5.562 -5.394 1.00 0.00 C ATOM 60 O GLU A 296 0.668 5.124 -4.345 1.00 0.00 O ATOM 61 CB GLU A 296 -0.931 6.611 -6.333 1.00 0.00 C ATOM 62 CG GLU A 296 -0.551 7.984 -5.812 1.00 0.00 C ATOM 63 CD GLU A 296 -1.758 8.816 -5.425 1.00 0.00 C ATOM 64 OE1 GLU A 296 -2.380 8.512 -4.385 1.00 0.00 O ATOM 65 OE2 GLU A 296 -2.084 9.768 -6.164 1.00 0.00 O ATOM 0 H GLU A 296 -1.193 4.328 -7.238 1.00 0.00 H new ATOM 0 HA GLU A 296 0.866 6.173 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -1.525 6.728 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -1.565 6.116 -5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 296 0.101 7.872 -4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 296 0.020 8.513 -6.575 1.00 0.00 H new ATOM 72 N ASP A 297 2.417 5.921 -5.519 1.00 0.00 N ATOM 73 CA ASP A 297 3.349 5.834 -4.397 1.00 0.00 C ATOM 74 C ASP A 297 3.134 6.994 -3.430 1.00 0.00 C ATOM 75 O ASP A 297 4.080 7.499 -2.823 1.00 0.00 O ATOM 76 CB ASP A 297 4.798 5.833 -4.893 1.00 0.00 C ATOM 77 CG ASP A 297 4.901 5.603 -6.388 1.00 0.00 C ATOM 78 OD1 ASP A 297 4.673 6.564 -7.151 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.211 4.462 -6.793 1.00 0.00 O ATOM 0 H ASP A 297 2.828 6.274 -6.383 1.00 0.00 H new ATOM 0 HA ASP A 297 3.158 4.897 -3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.265 6.786 -4.642 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.357 5.057 -4.370 1.00 0.00 H new ATOM 84 N GLU A 298 1.881 7.419 -3.306 1.00 0.00 N ATOM 85 CA GLU A 298 1.516 8.510 -2.415 1.00 0.00 C ATOM 86 C GLU A 298 0.257 8.144 -1.640 1.00 0.00 C ATOM 87 O GLU A 298 -0.821 8.018 -2.221 1.00 0.00 O ATOM 88 CB GLU A 298 1.287 9.793 -3.208 1.00 0.00 C ATOM 89 CG GLU A 298 2.406 10.118 -4.186 1.00 0.00 C ATOM 90 CD GLU A 298 2.143 11.388 -4.971 1.00 0.00 C ATOM 91 OE1 GLU A 298 2.539 12.472 -4.495 1.00 0.00 O ATOM 92 OE2 GLU A 298 1.543 11.297 -6.062 1.00 0.00 O ATOM 0 H GLU A 298 1.095 7.018 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 298 2.333 8.678 -1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 298 0.350 9.707 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 298 1.173 10.624 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 298 3.343 10.221 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 298 2.531 9.286 -4.879 1.00 0.00 H new ATOM 99 N CYS A 299 0.402 7.968 -0.330 1.00 0.00 N ATOM 100 CA CYS A 299 -0.725 7.602 0.520 1.00 0.00 C ATOM 101 C CYS A 299 -1.931 8.497 0.252 1.00 0.00 C ATOM 102 O CYS A 299 -1.924 9.687 0.572 1.00 0.00 O ATOM 103 CB CYS A 299 -0.315 7.675 1.983 1.00 0.00 C ATOM 104 SG CYS A 299 -1.698 7.803 3.156 1.00 0.00 S ATOM 0 H CYS A 299 1.288 8.073 0.165 1.00 0.00 H new ATOM 0 HA CYS A 299 -1.016 6.578 0.285 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.269 6.788 2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.340 8.535 2.120 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.403 8.666 4.082 1.00 0.00 H new ATOM 109 N ALA A 300 -2.972 7.897 -0.321 1.00 0.00 N ATOM 110 CA ALA A 300 -4.194 8.610 -0.683 1.00 0.00 C ATOM 111 C ALA A 300 -4.959 9.162 0.526 1.00 0.00 C ATOM 112 O ALA A 300 -6.087 9.632 0.375 1.00 0.00 O ATOM 113 CB ALA A 300 -5.101 7.693 -1.496 1.00 0.00 C ATOM 0 H ALA A 300 -2.992 6.903 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.890 9.472 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -6.012 8.228 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.583 7.380 -2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.357 6.815 -0.903 1.00 0.00 H new ATOM 119 N VAL A 301 -4.363 9.112 1.716 1.00 0.00 N ATOM 120 CA VAL A 301 -5.040 9.621 2.909 1.00 0.00 C ATOM 121 C VAL A 301 -4.308 10.809 3.537 1.00 0.00 C ATOM 122 O VAL A 301 -4.945 11.700 4.098 1.00 0.00 O ATOM 123 CB VAL A 301 -5.236 8.518 3.977 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.926 7.156 3.396 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.402 8.790 5.221 1.00 0.00 C ATOM 0 H VAL A 301 -3.431 8.732 1.880 1.00 0.00 H new ATOM 0 HA VAL A 301 -6.017 9.962 2.567 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.282 8.529 4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -5.069 6.393 4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.593 6.958 2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.892 7.134 3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.565 7.995 5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.346 8.824 4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.697 9.746 5.655 1.00 0.00 H new ATOM 135 N CYS A 302 -2.976 10.830 3.449 1.00 0.00 N ATOM 136 CA CYS A 302 -2.214 11.922 4.053 1.00 0.00 C ATOM 137 C CYS A 302 -1.060 12.378 3.162 1.00 0.00 C ATOM 138 O CYS A 302 -0.134 13.049 3.622 1.00 0.00 O ATOM 139 CB CYS A 302 -1.712 11.520 5.450 1.00 0.00 C ATOM 140 SG CYS A 302 -0.227 10.460 5.472 1.00 0.00 S ATOM 0 H CYS A 302 -2.415 10.121 2.977 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.887 12.773 4.159 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.499 12.427 6.016 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.516 11.001 5.971 1.00 0.00 H new ATOM 0 HG CYS A 302 -0.518 9.316 6.016 1.00 0.00 H new ATOM 145 N ARG A 303 -1.137 12.012 1.884 1.00 0.00 N ATOM 146 CA ARG A 303 -0.130 12.390 0.886 1.00 0.00 C ATOM 147 C ARG A 303 1.296 12.302 1.427 1.00 0.00 C ATOM 148 O ARG A 303 2.153 13.107 1.060 1.00 0.00 O ATOM 149 CB ARG A 303 -0.402 13.808 0.374 1.00 0.00 C ATOM 150 CG ARG A 303 -1.503 13.887 -0.675 1.00 0.00 C ATOM 151 CD ARG A 303 -2.850 13.450 -0.118 1.00 0.00 C ATOM 152 NE ARG A 303 -3.231 14.221 1.063 1.00 0.00 N ATOM 153 CZ ARG A 303 -4.411 14.112 1.666 1.00 0.00 C ATOM 154 NH1 ARG A 303 -5.322 13.266 1.204 1.00 0.00 N ATOM 155 NH2 ARG A 303 -4.680 14.849 2.735 1.00 0.00 N ATOM 0 H ARG A 303 -1.897 11.445 1.508 1.00 0.00 H new ATOM 0 HA ARG A 303 -0.211 11.676 0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -0.672 14.442 1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.518 14.214 -0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -1.578 14.909 -1.046 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.240 13.258 -1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -3.614 13.564 -0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -2.810 12.391 0.138 1.00 0.00 H new ATOM 0 HE ARG A 303 -2.554 14.880 1.447 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -5.119 12.696 0.383 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -6.226 13.186 1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -3.982 15.500 3.095 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -5.585 14.765 3.197 1.00 0.00 H new ATOM 169 N ASP A 304 1.552 11.326 2.289 1.00 0.00 N ATOM 170 CA ASP A 304 2.884 11.150 2.856 1.00 0.00 C ATOM 171 C ASP A 304 3.513 9.855 2.345 1.00 0.00 C ATOM 172 O ASP A 304 2.833 9.023 1.739 1.00 0.00 O ATOM 173 CB ASP A 304 2.821 11.153 4.384 1.00 0.00 C ATOM 174 CG ASP A 304 4.195 11.158 5.026 1.00 0.00 C ATOM 175 OD1 ASP A 304 4.781 12.253 5.164 1.00 0.00 O ATOM 176 OD2 ASP A 304 4.685 10.069 5.391 1.00 0.00 O ATOM 0 H ASP A 304 0.860 10.648 2.609 1.00 0.00 H new ATOM 0 HA ASP A 304 3.509 11.985 2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.265 12.028 4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 304 2.269 10.276 4.723 1.00 0.00 H new ATOM 181 N GLY A 305 4.813 9.694 2.586 1.00 0.00 N ATOM 182 CA GLY A 305 5.510 8.505 2.130 1.00 0.00 C ATOM 183 C GLY A 305 5.761 7.498 3.235 1.00 0.00 C ATOM 184 O GLY A 305 5.523 7.774 4.410 1.00 0.00 O ATOM 0 H GLY A 305 5.394 10.365 3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 305 4.927 8.030 1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.464 8.797 1.690 1.00 0.00 H new ATOM 188 N GLY A 306 6.261 6.328 2.846 1.00 0.00 N ATOM 189 CA GLY A 306 6.531 5.266 3.796 1.00 0.00 C ATOM 190 C GLY A 306 5.973 3.944 3.312 1.00 0.00 C ATOM 191 O GLY A 306 5.775 3.759 2.111 1.00 0.00 O ATOM 0 H GLY A 306 6.486 6.097 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.606 5.176 3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.092 5.518 4.761 1.00 0.00 H new ATOM 195 N GLU A 307 5.713 3.016 4.228 1.00 0.00 N ATOM 196 CA GLU A 307 5.160 1.729 3.844 1.00 0.00 C ATOM 197 C GLU A 307 3.682 1.887 3.519 1.00 0.00 C ATOM 198 O GLU A 307 2.874 2.180 4.401 1.00 0.00 O ATOM 199 CB GLU A 307 5.348 0.711 4.972 1.00 0.00 C ATOM 200 CG GLU A 307 4.864 -0.689 4.623 1.00 0.00 C ATOM 201 CD GLU A 307 5.607 -1.292 3.445 1.00 0.00 C ATOM 202 OE1 GLU A 307 6.834 -1.494 3.557 1.00 0.00 O ATOM 203 OE2 GLU A 307 4.960 -1.560 2.410 1.00 0.00 O ATOM 0 H GLU A 307 5.875 3.132 5.228 1.00 0.00 H new ATOM 0 HA GLU A 307 5.685 1.365 2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.405 0.665 5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.815 1.060 5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.983 -1.337 5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 307 3.799 -0.654 4.395 1.00 0.00 H new ATOM 210 N LEU A 308 3.329 1.694 2.253 1.00 0.00 N ATOM 211 CA LEU A 308 1.942 1.831 1.833 1.00 0.00 C ATOM 212 C LEU A 308 1.424 0.544 1.205 1.00 0.00 C ATOM 213 O LEU A 308 2.197 -0.294 0.746 1.00 0.00 O ATOM 214 CB LEU A 308 1.779 2.981 0.834 1.00 0.00 C ATOM 215 CG LEU A 308 2.800 4.110 0.932 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.733 4.979 -0.313 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.536 4.942 2.171 1.00 0.00 C ATOM 0 H LEU A 308 3.978 1.445 1.507 1.00 0.00 H new ATOM 0 HA LEU A 308 1.358 2.048 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.821 2.568 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.784 3.407 0.962 1.00 0.00 H new ATOM 0 HG LEU A 308 3.799 3.681 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.465 5.783 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.952 4.373 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.734 5.406 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.270 5.746 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.534 5.369 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.614 4.311 3.056 1.00 0.00 H new ATOM 229 N ILE A 309 0.104 0.407 1.192 1.00 0.00 N ATOM 230 CA ILE A 309 -0.555 -0.756 0.620 1.00 0.00 C ATOM 231 C ILE A 309 -1.367 -0.363 -0.603 1.00 0.00 C ATOM 232 O ILE A 309 -2.364 0.350 -0.502 1.00 0.00 O ATOM 233 CB ILE A 309 -1.468 -1.441 1.649 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.365 -2.482 0.980 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.306 -0.417 2.383 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.229 -3.239 1.960 1.00 0.00 C ATOM 0 H ILE A 309 -0.538 1.100 1.578 1.00 0.00 H new ATOM 0 HA ILE A 309 0.222 -1.461 0.323 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.833 -1.954 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -3.004 -1.986 0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.743 -3.190 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -2.946 -0.922 3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.652 0.283 2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -2.925 0.126 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.842 -3.962 1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.595 -3.762 2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.875 -2.540 2.491 1.00 0.00 H new ATOM 248 N CYS A 310 -0.936 -0.846 -1.758 1.00 0.00 N ATOM 249 CA CYS A 310 -1.599 -0.536 -3.011 1.00 0.00 C ATOM 250 C CYS A 310 -2.966 -1.205 -3.121 1.00 0.00 C ATOM 251 O CYS A 310 -3.154 -2.343 -2.693 1.00 0.00 O ATOM 252 CB CYS A 310 -0.720 -0.964 -4.180 1.00 0.00 C ATOM 253 SG CYS A 310 0.846 -0.067 -4.295 1.00 0.00 S ATOM 0 H CYS A 310 -0.125 -1.458 -1.851 1.00 0.00 H new ATOM 0 HA CYS A 310 -1.758 0.542 -3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.510 -2.030 -4.091 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -1.275 -0.825 -5.108 1.00 0.00 H new ATOM 0 HG CYS A 310 1.802 -0.797 -3.802 1.00 0.00 H new ATOM 259 N CYS A 311 -3.916 -0.477 -3.704 1.00 0.00 N ATOM 260 CA CYS A 311 -5.272 -0.981 -3.898 1.00 0.00 C ATOM 261 C CYS A 311 -5.389 -1.705 -5.238 1.00 0.00 C ATOM 262 O CYS A 311 -5.137 -1.122 -6.292 1.00 0.00 O ATOM 263 CB CYS A 311 -6.280 0.171 -3.836 1.00 0.00 C ATOM 264 SG CYS A 311 -7.994 -0.315 -4.228 1.00 0.00 S ATOM 0 H CYS A 311 -3.769 0.470 -4.052 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.493 -1.689 -3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.257 0.606 -2.837 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -5.967 0.951 -4.531 1.00 0.00 H new ATOM 0 HG CYS A 311 -8.816 0.571 -3.750 1.00 0.00 H new ATOM 269 N ASP A 312 -5.770 -2.977 -5.190 1.00 0.00 N ATOM 270 CA ASP A 312 -5.918 -3.783 -6.397 1.00 0.00 C ATOM 271 C ASP A 312 -7.057 -3.267 -7.272 1.00 0.00 C ATOM 272 O ASP A 312 -7.220 -3.701 -8.413 1.00 0.00 O ATOM 273 CB ASP A 312 -6.172 -5.245 -6.023 1.00 0.00 C ATOM 274 CG ASP A 312 -6.177 -6.161 -7.231 1.00 0.00 C ATOM 275 OD1 ASP A 312 -5.086 -6.614 -7.637 1.00 0.00 O ATOM 276 OD2 ASP A 312 -7.272 -6.425 -7.772 1.00 0.00 O ATOM 0 H ASP A 312 -5.983 -3.474 -4.325 1.00 0.00 H new ATOM 0 HA ASP A 312 -4.992 -3.709 -6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -5.405 -5.576 -5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -7.129 -5.324 -5.507 1.00 0.00 H new ATOM 281 N GLY A 313 -7.842 -2.340 -6.732 1.00 0.00 N ATOM 282 CA GLY A 313 -8.958 -1.788 -7.478 1.00 0.00 C ATOM 283 C GLY A 313 -8.609 -0.496 -8.193 1.00 0.00 C ATOM 284 O GLY A 313 -9.074 -0.252 -9.307 1.00 0.00 O ATOM 0 H GLY A 313 -7.725 -1.962 -5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -9.298 -2.521 -8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -9.790 -1.607 -6.797 1.00 0.00 H new ATOM 288 N CYS A 314 -7.789 0.334 -7.554 1.00 0.00 N ATOM 289 CA CYS A 314 -7.387 1.610 -8.140 1.00 0.00 C ATOM 290 C CYS A 314 -5.934 1.939 -7.799 1.00 0.00 C ATOM 291 O CYS A 314 -5.388 1.429 -6.823 1.00 0.00 O ATOM 292 CB CYS A 314 -8.302 2.728 -7.645 1.00 0.00 C ATOM 293 SG CYS A 314 -8.121 3.102 -5.874 1.00 0.00 S ATOM 0 H CYS A 314 -7.391 0.147 -6.634 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.474 1.526 -9.223 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -8.098 3.632 -8.219 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -9.337 2.451 -7.843 1.00 0.00 H new ATOM 0 HG CYS A 314 -8.067 1.992 -5.199 1.00 0.00 H new ATOM 298 N PRO A 315 -5.292 2.790 -8.625 1.00 0.00 N ATOM 299 CA PRO A 315 -3.891 3.210 -8.435 1.00 0.00 C ATOM 300 C PRO A 315 -3.670 4.056 -7.178 1.00 0.00 C ATOM 301 O PRO A 315 -3.422 5.257 -7.270 1.00 0.00 O ATOM 302 CB PRO A 315 -3.598 4.064 -9.677 1.00 0.00 C ATOM 303 CG PRO A 315 -4.668 3.724 -10.656 1.00 0.00 C ATOM 304 CD PRO A 315 -5.876 3.384 -9.838 1.00 0.00 C ATOM 0 HA PRO A 315 -3.243 2.342 -8.312 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.611 5.127 -9.435 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.611 3.842 -10.082 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -4.870 4.563 -11.322 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -4.371 2.884 -11.283 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.471 4.268 -9.609 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.531 2.684 -10.356 1.00 0.00 H new ATOM 312 N ARG A 316 -3.731 3.429 -6.008 1.00 0.00 N ATOM 313 CA ARG A 316 -3.533 4.144 -4.751 1.00 0.00 C ATOM 314 C ARG A 316 -2.698 3.326 -3.775 1.00 0.00 C ATOM 315 O ARG A 316 -2.228 2.236 -4.101 1.00 0.00 O ATOM 316 CB ARG A 316 -4.873 4.481 -4.107 1.00 0.00 C ATOM 317 CG ARG A 316 -5.698 5.486 -4.889 1.00 0.00 C ATOM 318 CD ARG A 316 -6.931 5.897 -4.104 1.00 0.00 C ATOM 319 NE ARG A 316 -8.087 6.121 -4.969 1.00 0.00 N ATOM 320 CZ ARG A 316 -9.301 6.417 -4.513 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.517 6.522 -3.209 1.00 0.00 N ATOM 322 NH2 ARG A 316 -10.301 6.609 -5.363 1.00 0.00 N ATOM 0 H ARG A 316 -3.915 2.431 -5.903 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.000 5.066 -4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.450 3.564 -3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.695 4.873 -3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.093 6.365 -5.112 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.997 5.054 -5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.170 5.123 -3.375 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -6.716 6.807 -3.544 1.00 0.00 H new ATOM 0 HE ARG A 316 -7.956 6.046 -5.978 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -8.751 6.376 -2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.449 6.749 -2.863 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -10.139 6.530 -6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -11.232 6.836 -5.013 1.00 0.00 H new ATOM 336 N ALA A 317 -2.528 3.866 -2.573 1.00 0.00 N ATOM 337 CA ALA A 317 -1.759 3.209 -1.525 1.00 0.00 C ATOM 338 C ALA A 317 -2.117 3.806 -0.158 1.00 0.00 C ATOM 339 O ALA A 317 -2.391 5.001 -0.059 1.00 0.00 O ATOM 340 CB ALA A 317 -0.273 3.352 -1.809 1.00 0.00 C ATOM 0 H ALA A 317 -2.918 4.768 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.005 2.147 -1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.297 2.859 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.040 2.891 -2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.009 4.409 -1.840 1.00 0.00 H new ATOM 346 N PHE A 318 -2.123 2.982 0.894 1.00 0.00 N ATOM 347 CA PHE A 318 -2.476 3.463 2.238 1.00 0.00 C ATOM 348 C PHE A 318 -1.410 3.110 3.284 1.00 0.00 C ATOM 349 O PHE A 318 -0.715 2.109 3.166 1.00 0.00 O ATOM 350 CB PHE A 318 -3.835 2.880 2.654 1.00 0.00 C ATOM 351 CG PHE A 318 -4.991 3.424 1.874 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.142 3.100 0.545 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.926 4.249 2.471 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.202 3.587 -0.184 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.995 4.745 1.747 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.133 4.412 0.416 1.00 0.00 C ATOM 0 H PHE A 318 -1.891 1.990 0.846 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.534 4.551 2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.807 1.797 2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -3.997 3.081 3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.419 2.455 0.068 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.821 4.509 3.514 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.306 3.324 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.719 5.391 2.222 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.966 4.795 -0.155 1.00 0.00 H new ATOM 366 N HIS A 319 -1.298 3.946 4.317 1.00 0.00 N ATOM 367 CA HIS A 319 -0.317 3.730 5.387 1.00 0.00 C ATOM 368 C HIS A 319 -0.807 2.711 6.407 1.00 0.00 C ATOM 369 O HIS A 319 -0.529 2.852 7.597 1.00 0.00 O ATOM 370 CB HIS A 319 -0.040 5.035 6.126 1.00 0.00 C ATOM 371 CG HIS A 319 1.117 5.818 5.618 1.00 0.00 C ATOM 372 ND1 HIS A 319 1.000 7.137 5.257 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.414 5.486 5.440 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.181 7.590 4.878 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.057 6.607 4.981 1.00 0.00 N ATOM 0 H HIS A 319 -1.873 4.780 4.437 1.00 0.00 H new ATOM 0 HA HIS A 319 0.589 3.356 4.910 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -0.932 5.660 6.074 1.00 0.00 H new ATOM 0 HB3 HIS A 319 0.129 4.809 7.179 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.860 4.520 5.624 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.394 8.594 4.541 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.050 6.671 4.756 1.00 0.00 H new ATOM 383 N LEU A 320 -1.536 1.698 5.951 1.00 0.00 N ATOM 384 CA LEU A 320 -2.055 0.671 6.853 1.00 0.00 C ATOM 385 C LEU A 320 -3.047 1.275 7.835 1.00 0.00 C ATOM 386 O LEU A 320 -4.259 1.140 7.678 1.00 0.00 O ATOM 387 CB LEU A 320 -0.915 0.014 7.625 1.00 0.00 C ATOM 388 CG LEU A 320 0.165 -0.671 6.781 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.620 -1.939 7.456 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.339 -0.976 5.382 1.00 0.00 C ATOM 0 H LEU A 320 -1.781 1.564 4.970 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.562 -0.083 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.437 0.774 8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.341 -0.726 8.303 1.00 0.00 H new ATOM 0 HG LEU A 320 1.009 0.013 6.692 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.388 -2.419 6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 320 1.030 -1.702 8.438 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.228 -2.615 7.570 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.451 -1.462 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.203 -1.638 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.627 -0.048 4.889 1.00 0.00 H new ATOM 402 N ALA A 321 -2.513 1.937 8.855 1.00 0.00 N ATOM 403 CA ALA A 321 -3.328 2.581 9.870 1.00 0.00 C ATOM 404 C ALA A 321 -4.012 3.822 9.313 1.00 0.00 C ATOM 405 O ALA A 321 -4.960 4.339 9.904 1.00 0.00 O ATOM 406 CB ALA A 321 -2.470 2.933 11.071 1.00 0.00 C ATOM 0 H ALA A 321 -1.508 2.040 8.999 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.107 1.887 10.184 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.086 3.416 11.829 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.032 2.024 11.484 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.675 3.612 10.764 1.00 0.00 H new ATOM 412 N CYS A 322 -3.523 4.300 8.168 1.00 0.00 N ATOM 413 CA CYS A 322 -4.112 5.480 7.525 1.00 0.00 C ATOM 414 C CYS A 322 -5.460 5.116 6.921 1.00 0.00 C ATOM 415 O CYS A 322 -6.170 5.963 6.379 1.00 0.00 O ATOM 416 CB CYS A 322 -3.190 6.041 6.437 1.00 0.00 C ATOM 417 SG CYS A 322 -2.113 7.418 6.994 1.00 0.00 S ATOM 0 H CYS A 322 -2.730 3.896 7.670 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.245 6.250 8.285 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.562 5.235 6.059 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.801 6.388 5.603 1.00 0.00 H new ATOM 0 HG CYS A 322 -1.009 7.410 6.308 1.00 0.00 H new ATOM 422 N LEU A 323 -5.793 3.838 7.027 1.00 0.00 N ATOM 423 CA LEU A 323 -7.045 3.305 6.506 1.00 0.00 C ATOM 424 C LEU A 323 -8.167 3.466 7.517 1.00 0.00 C ATOM 425 O LEU A 323 -7.905 3.638 8.707 1.00 0.00 O ATOM 426 CB LEU A 323 -6.875 1.817 6.212 1.00 0.00 C ATOM 427 CG LEU A 323 -6.334 1.476 4.844 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.716 0.088 4.859 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.453 1.570 3.830 1.00 0.00 C ATOM 0 H LEU A 323 -5.202 3.139 7.477 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.298 3.854 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.209 1.391 6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.842 1.329 6.332 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.553 2.183 4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.329 -0.149 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -4.902 0.060 5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.474 -0.645 5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.068 1.325 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.245 0.869 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.853 2.584 3.823 1.00 0.00 H new ATOM 441 N SER A 324 -9.419 3.423 7.054 1.00 0.00 N ATOM 442 CA SER A 324 -10.533 3.500 7.988 1.00 0.00 C ATOM 443 C SER A 324 -10.318 2.384 9.004 1.00 0.00 C ATOM 444 O SER A 324 -10.323 2.626 10.211 1.00 0.00 O ATOM 445 CB SER A 324 -11.894 3.395 7.283 1.00 0.00 C ATOM 446 OG SER A 324 -12.032 4.395 6.289 1.00 0.00 O ATOM 0 H SER A 324 -9.677 3.338 6.071 1.00 0.00 H new ATOM 0 HA SER A 324 -10.556 4.471 8.482 1.00 0.00 H new ATOM 0 HB2 SER A 324 -11.997 2.410 6.829 1.00 0.00 H new ATOM 0 HB3 SER A 324 -12.695 3.493 8.016 1.00 0.00 H new ATOM 0 HG SER A 324 -12.906 4.306 5.854 1.00 0.00 H new ATOM 452 N PRO A 325 -10.119 1.132 8.524 1.00 0.00 N ATOM 453 CA PRO A 325 -9.786 0.006 9.359 1.00 0.00 C ATOM 454 C PRO A 325 -8.296 -0.285 9.198 1.00 0.00 C ATOM 455 O PRO A 325 -7.828 -0.517 8.083 1.00 0.00 O ATOM 456 CB PRO A 325 -10.635 -1.103 8.761 1.00 0.00 C ATOM 457 CG PRO A 325 -10.815 -0.732 7.313 1.00 0.00 C ATOM 458 CD PRO A 325 -10.261 0.666 7.136 1.00 0.00 C ATOM 0 HA PRO A 325 -9.970 0.143 10.425 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.144 -2.071 8.860 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.596 -1.180 9.269 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.292 -1.438 6.667 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -11.868 -0.766 7.035 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.306 0.660 6.610 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -10.937 1.300 6.562 1.00 0.00 H new ATOM 466 N PRO A 326 -7.526 -0.289 10.287 1.00 0.00 N ATOM 467 CA PRO A 326 -6.086 -0.480 10.203 1.00 0.00 C ATOM 468 C PRO A 326 -5.666 -1.923 10.016 1.00 0.00 C ATOM 469 O PRO A 326 -6.206 -2.842 10.631 1.00 0.00 O ATOM 470 CB PRO A 326 -5.597 0.079 11.518 1.00 0.00 C ATOM 471 CG PRO A 326 -6.695 -0.223 12.473 1.00 0.00 C ATOM 472 CD PRO A 326 -7.982 -0.164 11.679 1.00 0.00 C ATOM 0 HA PRO A 326 -5.663 0.011 9.327 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -4.662 -0.388 11.826 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.411 1.151 11.451 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.560 -1.208 12.921 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.709 0.499 13.289 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.662 -0.971 11.954 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.515 0.772 11.845 1.00 0.00 H new ATOM 480 N LEU A 327 -4.685 -2.087 9.145 1.00 0.00 N ATOM 481 CA LEU A 327 -4.142 -3.385 8.810 1.00 0.00 C ATOM 482 C LEU A 327 -3.086 -3.831 9.805 1.00 0.00 C ATOM 483 O LEU A 327 -1.889 -3.688 9.554 1.00 0.00 O ATOM 484 CB LEU A 327 -3.544 -3.326 7.415 1.00 0.00 C ATOM 485 CG LEU A 327 -4.454 -2.697 6.379 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.732 -2.524 5.068 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.688 -3.547 6.202 1.00 0.00 C ATOM 0 H LEU A 327 -4.242 -1.314 8.648 1.00 0.00 H new ATOM 0 HA LEU A 327 -4.952 -4.114 8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.612 -2.763 7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.292 -4.337 7.096 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.754 -1.708 6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.404 -2.071 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -2.865 -1.879 5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.403 -3.497 4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.340 -3.091 5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.398 -4.544 5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.219 -3.620 7.151 1.00 0.00 H new ATOM 499 N ARG A 328 -3.532 -4.357 10.940 1.00 0.00 N ATOM 500 CA ARG A 328 -2.613 -4.868 11.951 1.00 0.00 C ATOM 501 C ARG A 328 -1.625 -5.802 11.277 1.00 0.00 C ATOM 502 O ARG A 328 -0.523 -6.049 11.768 1.00 0.00 O ATOM 503 CB ARG A 328 -3.384 -5.630 13.026 1.00 0.00 C ATOM 504 CG ARG A 328 -3.984 -4.753 14.114 1.00 0.00 C ATOM 505 CD ARG A 328 -4.790 -3.592 13.547 1.00 0.00 C ATOM 506 NE ARG A 328 -5.415 -2.798 14.603 1.00 0.00 N ATOM 507 CZ ARG A 328 -4.995 -1.589 14.967 1.00 0.00 C ATOM 508 NH1 ARG A 328 -3.954 -1.034 14.361 1.00 0.00 N ATOM 509 NH2 ARG A 328 -5.617 -0.934 15.937 1.00 0.00 N ATOM 0 H ARG A 328 -4.519 -4.441 11.183 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.087 -4.037 12.422 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.185 -6.194 12.549 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -2.715 -6.355 13.489 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -4.626 -5.360 14.753 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -3.185 -4.363 14.744 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -4.138 -2.954 12.950 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -5.560 -3.976 12.878 1.00 0.00 H new ATOM 0 HE ARG A 328 -6.220 -3.194 15.089 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -3.473 -1.534 13.613 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -3.635 -0.107 14.642 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -6.419 -1.357 16.405 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -5.294 -0.007 16.215 1.00 0.00 H new ATOM 523 N GLU A 329 -2.061 -6.310 10.134 1.00 0.00 N ATOM 524 CA GLU A 329 -1.271 -7.212 9.317 1.00 0.00 C ATOM 525 C GLU A 329 -1.804 -7.200 7.890 1.00 0.00 C ATOM 526 O GLU A 329 -2.974 -7.495 7.648 1.00 0.00 O ATOM 527 CB GLU A 329 -1.294 -8.630 9.891 1.00 0.00 C ATOM 528 CG GLU A 329 -2.689 -9.120 10.233 1.00 0.00 C ATOM 529 CD GLU A 329 -2.682 -10.483 10.898 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.741 -11.498 10.172 1.00 0.00 O ATOM 531 OE2 GLU A 329 -2.617 -10.536 12.144 1.00 0.00 O ATOM 0 H GLU A 329 -2.982 -6.104 9.746 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.235 -6.873 9.315 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -0.844 -9.313 9.171 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.676 -8.661 10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.171 -8.400 10.894 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.287 -9.167 9.323 1.00 0.00 H new ATOM 538 N ILE A 330 -0.931 -6.845 6.959 1.00 0.00 N ATOM 539 CA ILE A 330 -1.281 -6.742 5.554 1.00 0.00 C ATOM 540 C ILE A 330 -2.155 -7.892 5.046 1.00 0.00 C ATOM 541 O ILE A 330 -1.930 -9.057 5.376 1.00 0.00 O ATOM 542 CB ILE A 330 -0.008 -6.651 4.714 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.713 -5.354 5.072 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.324 -6.727 3.226 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.017 -4.111 4.647 1.00 0.00 C ATOM 0 H ILE A 330 0.043 -6.620 7.160 1.00 0.00 H new ATOM 0 HA ILE A 330 -1.879 -5.836 5.451 1.00 0.00 H new ATOM 0 HB ILE A 330 0.642 -7.498 4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.867 -5.322 6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.700 -5.359 4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.601 -6.660 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.818 -7.674 3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -0.982 -5.902 2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.560 -3.233 4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.148 -4.118 3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -0.994 -4.079 5.130 1.00 0.00 H new ATOM 557 N PRO A 331 -3.170 -7.551 4.225 1.00 0.00 N ATOM 558 CA PRO A 331 -4.099 -8.521 3.628 1.00 0.00 C ATOM 559 C PRO A 331 -3.380 -9.659 2.911 1.00 0.00 C ATOM 560 O PRO A 331 -2.254 -9.491 2.433 1.00 0.00 O ATOM 561 CB PRO A 331 -4.880 -7.684 2.621 1.00 0.00 C ATOM 562 CG PRO A 331 -4.828 -6.304 3.167 1.00 0.00 C ATOM 563 CD PRO A 331 -3.499 -6.171 3.829 1.00 0.00 C ATOM 0 HA PRO A 331 -4.717 -9.004 4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.432 -7.736 1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -5.908 -8.035 2.525 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -4.943 -5.566 2.373 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.636 -6.136 3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -2.752 -5.760 3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.545 -5.507 4.692 1.00 0.00 H new ATOM 571 N SER A 332 -4.051 -10.805 2.812 1.00 0.00 N ATOM 572 CA SER A 332 -3.477 -11.984 2.168 1.00 0.00 C ATOM 573 C SER A 332 -2.967 -11.673 0.762 1.00 0.00 C ATOM 574 O SER A 332 -1.790 -11.362 0.575 1.00 0.00 O ATOM 575 CB SER A 332 -4.505 -13.107 2.113 1.00 0.00 C ATOM 576 OG SER A 332 -5.198 -13.228 3.343 1.00 0.00 O ATOM 0 H SER A 332 -4.996 -10.942 3.171 1.00 0.00 H new ATOM 0 HA SER A 332 -2.624 -12.302 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 332 -5.216 -12.914 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 332 -4.007 -14.048 1.879 1.00 0.00 H new ATOM 0 HG SER A 332 -5.853 -13.955 3.280 1.00 0.00 H new ATOM 582 N GLY A 333 -3.857 -11.760 -0.225 1.00 0.00 N ATOM 583 CA GLY A 333 -3.470 -11.493 -1.600 1.00 0.00 C ATOM 584 C GLY A 333 -3.915 -10.125 -2.076 1.00 0.00 C ATOM 585 O GLY A 333 -3.216 -9.133 -1.866 1.00 0.00 O ATOM 0 H GLY A 333 -4.837 -12.010 -0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -2.386 -11.570 -1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -3.899 -12.257 -2.249 1.00 0.00 H new ATOM 589 N THR A 334 -5.076 -10.076 -2.727 1.00 0.00 N ATOM 590 CA THR A 334 -5.623 -8.821 -3.233 1.00 0.00 C ATOM 591 C THR A 334 -6.184 -7.979 -2.095 1.00 0.00 C ATOM 592 O THR A 334 -6.294 -8.452 -0.963 1.00 0.00 O ATOM 593 CB THR A 334 -6.733 -9.066 -4.272 1.00 0.00 C ATOM 594 OG1 THR A 334 -7.792 -9.833 -3.687 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.185 -9.797 -5.489 1.00 0.00 C ATOM 0 H THR A 334 -5.656 -10.893 -2.916 1.00 0.00 H new ATOM 0 HA THR A 334 -4.804 -8.287 -3.714 1.00 0.00 H new ATOM 0 HB THR A 334 -7.119 -8.098 -4.592 1.00 0.00 H new ATOM 0 HG1 THR A 334 -8.494 -9.983 -4.354 1.00 0.00 H new ATOM 0 HG21 THR A 334 -6.988 -9.958 -6.208 1.00 0.00 H new ATOM 0 HG22 THR A 334 -5.400 -9.198 -5.950 1.00 0.00 H new ATOM 0 HG23 THR A 334 -5.775 -10.759 -5.181 1.00 0.00 H new ATOM 603 N TRP A 335 -6.545 -6.733 -2.397 1.00 0.00 N ATOM 604 CA TRP A 335 -7.084 -5.833 -1.382 1.00 0.00 C ATOM 605 C TRP A 335 -7.530 -4.501 -1.985 1.00 0.00 C ATOM 606 O TRP A 335 -6.763 -3.837 -2.681 1.00 0.00 O ATOM 607 CB TRP A 335 -6.033 -5.592 -0.296 1.00 0.00 C ATOM 608 CG TRP A 335 -6.402 -4.513 0.670 1.00 0.00 C ATOM 609 CD1 TRP A 335 -7.053 -4.668 1.858 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.139 -3.113 0.531 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.206 -3.453 2.473 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.656 -2.482 1.676 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.517 -2.329 -0.448 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.570 -1.111 1.869 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.434 -0.964 -0.253 1.00 0.00 C ATOM 616 CH2 TRP A 335 -5.959 -0.368 0.899 1.00 0.00 C ATOM 0 H TRP A 335 -6.474 -6.327 -3.330 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.963 -6.307 -0.945 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.872 -6.520 0.253 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.086 -5.334 -0.770 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.398 -5.611 2.256 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.655 -3.297 3.375 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.110 -2.783 -1.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -6.973 -0.646 2.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -4.957 -0.348 -1.001 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -5.880 0.702 1.024 1.00 0.00 H new ATOM 627 N ARG A 336 -8.777 -4.118 -1.715 1.00 0.00 N ATOM 628 CA ARG A 336 -9.326 -2.862 -2.211 1.00 0.00 C ATOM 629 C ARG A 336 -9.203 -1.755 -1.173 1.00 0.00 C ATOM 630 O ARG A 336 -8.679 -1.963 -0.089 1.00 0.00 O ATOM 631 CB ARG A 336 -10.792 -3.043 -2.551 1.00 0.00 C ATOM 632 CG ARG A 336 -11.054 -4.186 -3.504 1.00 0.00 C ATOM 633 CD ARG A 336 -12.465 -4.111 -4.029 1.00 0.00 C ATOM 634 NE ARG A 336 -12.784 -5.220 -4.924 1.00 0.00 N ATOM 635 CZ ARG A 336 -12.860 -5.104 -6.246 1.00 0.00 C ATOM 636 NH1 ARG A 336 -12.637 -3.933 -6.827 1.00 0.00 N ATOM 637 NH2 ARG A 336 -13.157 -6.161 -6.989 1.00 0.00 N ATOM 0 H ARG A 336 -9.428 -4.665 -1.152 1.00 0.00 H new ATOM 0 HA ARG A 336 -8.759 -2.580 -3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.352 -3.212 -1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.171 -2.120 -2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -10.347 -4.148 -4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.897 -5.137 -2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -13.162 -4.111 -3.191 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -12.603 -3.168 -4.559 1.00 0.00 H new ATOM 0 HE ARG A 336 -12.959 -6.136 -4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -12.406 -3.118 -6.259 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -12.696 -3.848 -7.842 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -13.327 -7.064 -6.546 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -13.215 -6.071 -8.003 1.00 0.00 H new ATOM 651 N CYS A 337 -9.728 -0.585 -1.505 1.00 0.00 N ATOM 652 CA CYS A 337 -9.682 0.556 -0.595 1.00 0.00 C ATOM 653 C CYS A 337 -11.096 0.983 -0.234 1.00 0.00 C ATOM 654 O CYS A 337 -12.031 0.671 -0.959 1.00 0.00 O ATOM 655 CB CYS A 337 -8.935 1.725 -1.230 1.00 0.00 C ATOM 656 SG CYS A 337 -9.851 2.541 -2.572 1.00 0.00 S ATOM 0 H CYS A 337 -10.190 -0.398 -2.395 1.00 0.00 H new ATOM 0 HA CYS A 337 -9.151 0.257 0.308 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.708 2.461 -0.458 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -7.982 1.366 -1.619 1.00 0.00 H new ATOM 0 HG CYS A 337 -9.081 2.662 -3.612 1.00 0.00 H new ATOM 661 N SER A 338 -11.241 1.708 0.874 1.00 0.00 N ATOM 662 CA SER A 338 -12.555 2.161 1.341 1.00 0.00 C ATOM 663 C SER A 338 -13.508 2.486 0.187 1.00 0.00 C ATOM 664 O SER A 338 -14.691 2.151 0.240 1.00 0.00 O ATOM 665 CB SER A 338 -12.406 3.384 2.242 1.00 0.00 C ATOM 666 OG SER A 338 -11.488 3.136 3.292 1.00 0.00 O ATOM 0 H SER A 338 -10.464 1.996 1.468 1.00 0.00 H new ATOM 0 HA SER A 338 -12.990 1.336 1.905 1.00 0.00 H new ATOM 0 HB2 SER A 338 -12.067 4.235 1.652 1.00 0.00 H new ATOM 0 HB3 SER A 338 -13.377 3.652 2.659 1.00 0.00 H new ATOM 0 HG SER A 338 -11.797 3.581 4.109 1.00 0.00 H new ATOM 672 N SER A 339 -12.993 3.139 -0.852 1.00 0.00 N ATOM 673 CA SER A 339 -13.804 3.505 -2.009 1.00 0.00 C ATOM 674 C SER A 339 -14.237 2.276 -2.810 1.00 0.00 C ATOM 675 O SER A 339 -15.431 1.978 -2.923 1.00 0.00 O ATOM 676 CB SER A 339 -13.020 4.458 -2.896 1.00 0.00 C ATOM 677 OG SER A 339 -13.776 4.846 -4.029 1.00 0.00 O ATOM 0 H SER A 339 -12.016 3.426 -0.916 1.00 0.00 H new ATOM 0 HA SER A 339 -14.708 3.995 -1.648 1.00 0.00 H new ATOM 0 HB2 SER A 339 -12.738 5.342 -2.324 1.00 0.00 H new ATOM 0 HB3 SER A 339 -12.095 3.980 -3.219 1.00 0.00 H new ATOM 0 HG SER A 339 -13.247 5.460 -4.580 1.00 0.00 H new ATOM 683 N CYS A 340 -13.260 1.558 -3.356 1.00 0.00 N ATOM 684 CA CYS A 340 -13.527 0.372 -4.148 1.00 0.00 C ATOM 685 C CYS A 340 -14.262 -0.662 -3.308 1.00 0.00 C ATOM 686 O CYS A 340 -14.802 -1.641 -3.823 1.00 0.00 O ATOM 687 CB CYS A 340 -12.215 -0.207 -4.678 1.00 0.00 C ATOM 688 SG CYS A 340 -11.248 0.950 -5.707 1.00 0.00 S ATOM 0 H CYS A 340 -12.270 1.783 -3.260 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.157 0.644 -4.995 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.603 -0.523 -3.833 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.435 -1.100 -5.264 1.00 0.00 H new ATOM 0 HG CYS A 340 -9.983 0.814 -5.440 1.00 0.00 H new ATOM 693 N LEU A 341 -14.264 -0.423 -2.006 1.00 0.00 N ATOM 694 CA LEU A 341 -14.909 -1.294 -1.046 1.00 0.00 C ATOM 695 C LEU A 341 -16.413 -1.088 -1.032 1.00 0.00 C ATOM 696 O LEU A 341 -17.181 -2.031 -1.209 1.00 0.00 O ATOM 697 CB LEU A 341 -14.317 -1.038 0.328 1.00 0.00 C ATOM 698 CG LEU A 341 -12.952 -1.677 0.550 1.00 0.00 C ATOM 699 CD1 LEU A 341 -12.366 -1.267 1.884 1.00 0.00 C ATOM 700 CD2 LEU A 341 -13.067 -3.179 0.444 1.00 0.00 C ATOM 0 H LEU A 341 -13.813 0.390 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.731 -2.330 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -14.231 0.038 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -15.008 -1.412 1.084 1.00 0.00 H new ATOM 0 HG LEU A 341 -12.271 -1.323 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -11.392 -1.739 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -12.251 -0.183 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -13.032 -1.583 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -12.088 -3.631 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -13.763 -3.545 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -13.433 -3.447 -0.547 1.00 0.00 H new ATOM 803 N ALA B 1 -1.189 -7.663 -0.305 1.00 0.00 N ATOM 804 CA ALA B 1 -2.081 -6.599 -0.837 1.00 0.00 C ATOM 805 C ALA B 1 -1.312 -5.567 -1.663 1.00 0.00 C ATOM 806 O ALA B 1 -1.660 -4.386 -1.674 1.00 0.00 O ATOM 807 CB ALA B 1 -2.834 -5.927 0.296 1.00 0.00 C ATOM 0 H1 ALA B 1 -1.523 -7.958 0.635 1.00 0.00 H new ATOM 0 H2 ALA B 1 -1.201 -8.480 -0.949 1.00 0.00 H new ATOM 0 H3 ALA B 1 -0.219 -7.296 -0.228 1.00 0.00 H new ATOM 0 HA ALA B 1 -2.799 -7.075 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -3.483 -5.150 -0.109 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.438 -6.667 0.821 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.123 -5.480 0.991 1.00 0.00 H new ATOM 815 N ARG B 2 -0.270 -6.023 -2.353 1.00 0.00 N ATOM 816 CA ARG B 2 0.545 -5.152 -3.203 1.00 0.00 C ATOM 817 C ARG B 2 1.096 -3.952 -2.437 1.00 0.00 C ATOM 818 O ARG B 2 1.233 -2.866 -2.997 1.00 0.00 O ATOM 819 CB ARG B 2 -0.278 -4.659 -4.400 1.00 0.00 C ATOM 820 CG ARG B 2 -1.142 -5.741 -5.028 1.00 0.00 C ATOM 821 CD ARG B 2 -1.890 -5.224 -6.246 1.00 0.00 C ATOM 822 NE ARG B 2 -0.985 -4.897 -7.345 1.00 0.00 N ATOM 823 CZ ARG B 2 -1.214 -5.229 -8.613 1.00 0.00 C ATOM 824 NH1 ARG B 2 -2.314 -5.894 -8.939 1.00 0.00 N ATOM 825 NH2 ARG B 2 -0.343 -4.895 -9.554 1.00 0.00 N ATOM 0 H ARG B 2 0.033 -6.997 -2.341 1.00 0.00 H new ATOM 0 HA ARG B 2 1.391 -5.745 -3.552 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -0.917 -3.836 -4.078 1.00 0.00 H new ATOM 0 HB3 ARG B 2 0.398 -4.260 -5.156 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -0.516 -6.585 -5.316 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -1.856 -6.110 -4.292 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -2.606 -5.976 -6.578 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -2.462 -4.338 -5.971 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.130 -4.385 -7.128 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -2.987 -6.152 -8.217 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -2.487 -6.147 -9.912 1.00 0.00 H new ATOM 0 HH21 ARG B 2 0.504 -4.383 -9.307 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -0.519 -5.150 -10.526 1.00 0.00 H new ATOM 839 N THR B 3 1.422 -4.143 -1.163 1.00 0.00 N ATOM 840 CA THR B 3 1.955 -3.049 -0.359 1.00 0.00 C ATOM 841 C THR B 3 3.422 -2.795 -0.691 1.00 0.00 C ATOM 842 O THR B 3 4.282 -3.647 -0.466 1.00 0.00 O ATOM 843 CB THR B 3 1.798 -3.309 1.155 1.00 0.00 C ATOM 844 OG1 THR B 3 2.898 -4.086 1.644 1.00 0.00 O ATOM 845 CG2 THR B 3 0.496 -4.037 1.439 1.00 0.00 C ATOM 0 H THR B 3 1.329 -5.031 -0.670 1.00 0.00 H new ATOM 0 HA THR B 3 1.372 -2.163 -0.608 1.00 0.00 H new ATOM 0 HB THR B 3 1.784 -2.346 1.665 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.432 -4.408 0.888 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.403 -4.211 2.511 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.342 -3.431 1.096 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.491 -4.992 0.914 1.00 0.00 H new ATOM 853 N LYS B 4 3.693 -1.613 -1.238 1.00 0.00 N ATOM 854 CA LYS B 4 5.048 -1.232 -1.622 1.00 0.00 C ATOM 855 C LYS B 4 5.535 -0.040 -0.801 1.00 0.00 C ATOM 856 O LYS B 4 4.783 0.901 -0.549 1.00 0.00 O ATOM 857 CB LYS B 4 5.087 -0.886 -3.113 1.00 0.00 C ATOM 858 CG LYS B 4 6.436 -0.376 -3.595 1.00 0.00 C ATOM 859 CD LYS B 4 6.280 0.867 -4.457 1.00 0.00 C ATOM 860 CE LYS B 4 7.621 1.369 -4.967 1.00 0.00 C ATOM 861 NZ LYS B 4 7.501 2.702 -5.623 1.00 0.00 N ATOM 0 H LYS B 4 2.988 -0.900 -1.426 1.00 0.00 H new ATOM 0 HA LYS B 4 5.710 -2.076 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS B 4 4.819 -1.772 -3.688 1.00 0.00 H new ATOM 0 HB3 LYS B 4 4.329 -0.130 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.069 -0.149 -2.737 1.00 0.00 H new ATOM 0 HG3 LYS B 4 6.940 -1.156 -4.166 1.00 0.00 H new ATOM 0 HD2 LYS B 4 5.629 0.644 -5.303 1.00 0.00 H new ATOM 0 HD3 LYS B 4 5.793 1.652 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS B 4 8.324 1.435 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS B 4 8.032 0.651 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 8.039 2.700 -6.513 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 6.500 2.901 -5.823 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 7.880 3.435 -4.991 1.00 0.00 H new ATOM 875 N GLN B 5 6.798 -0.090 -0.388 1.00 0.00 N ATOM 876 CA GLN B 5 7.390 0.987 0.396 1.00 0.00 C ATOM 877 C GLN B 5 7.899 2.097 -0.518 1.00 0.00 C ATOM 878 O GLN B 5 8.404 1.832 -1.609 1.00 0.00 O ATOM 879 CB GLN B 5 8.539 0.450 1.254 1.00 0.00 C ATOM 880 CG GLN B 5 9.180 1.505 2.143 1.00 0.00 C ATOM 881 CD GLN B 5 10.384 0.980 2.903 1.00 0.00 C ATOM 882 OE1 GLN B 5 11.322 1.724 3.191 1.00 0.00 O ATOM 883 NE2 GLN B 5 10.363 -0.306 3.234 1.00 0.00 N ATOM 0 H GLN B 5 7.431 -0.866 -0.584 1.00 0.00 H new ATOM 0 HA GLN B 5 6.621 1.397 1.050 1.00 0.00 H new ATOM 0 HB2 GLN B 5 8.166 -0.362 1.879 1.00 0.00 H new ATOM 0 HB3 GLN B 5 9.301 0.025 0.601 1.00 0.00 H new ATOM 0 HG2 GLN B 5 9.484 2.354 1.531 1.00 0.00 H new ATOM 0 HG3 GLN B 5 8.440 1.874 2.853 1.00 0.00 H new ATOM 0 HE21 GLN B 5 9.565 -0.886 2.975 1.00 0.00 H new ATOM 0 HE22 GLN B 5 11.145 -0.713 3.747 1.00 0.00 H new ATOM 892 N THR B 6 7.765 3.342 -0.069 1.00 0.00 N ATOM 893 CA THR B 6 8.205 4.487 -0.856 1.00 0.00 C ATOM 894 C THR B 6 8.974 5.488 0.002 1.00 0.00 C ATOM 895 O THR B 6 8.686 5.658 1.187 1.00 0.00 O ATOM 896 CB THR B 6 7.010 5.202 -1.516 1.00 0.00 C ATOM 897 OG1 THR B 6 7.477 6.275 -2.342 1.00 0.00 O ATOM 898 CG2 THR B 6 6.055 5.743 -0.462 1.00 0.00 C ATOM 0 H THR B 6 7.356 3.582 0.834 1.00 0.00 H new ATOM 0 HA THR B 6 8.866 4.102 -1.633 1.00 0.00 H new ATOM 0 HB THR B 6 6.475 4.478 -2.131 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.712 6.723 -2.759 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.219 6.244 -0.951 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.680 4.920 0.146 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.581 6.454 0.175 1.00 0.00 H new