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 -119:sc= 0.0191 USER MOD Set 1.2: A 314 CYS SG : rot 146:sc= 0.356 USER MOD Set 1.3: A 337 CYS SG : rot -48:sc= 0.0672 USER MOD Set 1.4: A 340 CYS SG : rot 148:sc= 0.411 USER MOD Set 2.1: A 299 CYS SG : rot 163:sc= -4.83! USER MOD Set 2.2: A 302 CYS SG : rot 132:sc= 0.149 USER MOD Set 2.3: A 319 HIS : no HD1:sc= 0.689 K(o=-11,f=-15!) USER MOD Set 2.4: A 322 CYS SG : rot 148:sc= -7.38! USER MOD Single : A 295 ASN : amide:sc= -9.86! C(o=-9.9!,f=-9!) USER MOD Single : A 310 CYS SG : rot -43:sc= 0.825 USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot -170: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= 1.02 (180deg=-0.0312) USER MOD Single : B 3 THR OG1 : rot -10:sc= 0.947 USER MOD Single : B 4 LYS NZ :NH3+ -157:sc= 0.336 (180deg=0.153) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 6 THR OG1 : rot -150:sc= -0.0257 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 295 1.799 1.591 -7.553 1.00 0.00 N ATOM 44 CA ASN A 295 0.921 2.747 -7.401 1.00 0.00 C ATOM 45 C ASN A 295 1.682 4.057 -7.600 1.00 0.00 C ATOM 46 O ASN A 295 2.827 4.061 -8.053 1.00 0.00 O ATOM 47 CB ASN A 295 0.276 2.730 -6.013 1.00 0.00 C ATOM 48 CG ASN A 295 1.275 2.431 -4.905 1.00 0.00 C ATOM 49 OD1 ASN A 295 0.925 1.841 -3.885 1.00 0.00 O ATOM 50 ND2 ASN A 295 2.526 2.836 -5.096 1.00 0.00 N ATOM 0 HA ASN A 295 0.148 2.685 -8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -0.193 3.695 -5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -0.516 1.982 -5.994 1.00 0.00 H new ATOM 0 HD21 ASN A 295 3.234 2.660 -4.383 1.00 0.00 H new ATOM 0 HD22 ASN A 295 2.779 3.323 -5.956 1.00 0.00 H new ATOM 57 N GLU A 296 1.035 5.169 -7.257 1.00 0.00 N ATOM 58 CA GLU A 296 1.657 6.482 -7.383 1.00 0.00 C ATOM 59 C GLU A 296 2.646 6.713 -6.244 1.00 0.00 C ATOM 60 O GLU A 296 3.274 7.768 -6.151 1.00 0.00 O ATOM 61 CB GLU A 296 0.594 7.580 -7.387 1.00 0.00 C ATOM 62 CG GLU A 296 -0.397 7.459 -8.527 1.00 0.00 C ATOM 63 CD GLU A 296 0.258 7.582 -9.889 1.00 0.00 C ATOM 64 OE1 GLU A 296 0.401 8.723 -10.377 1.00 0.00 O ATOM 65 OE2 GLU A 296 0.625 6.538 -10.467 1.00 0.00 O ATOM 0 H GLU A 296 0.083 5.186 -6.891 1.00 0.00 H new ATOM 0 HA GLU A 296 2.197 6.517 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 296 0.053 7.554 -6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 296 1.086 8.551 -7.446 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -0.907 6.498 -8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -1.159 8.232 -8.424 1.00 0.00 H new ATOM 72 N ASP A 297 2.772 5.704 -5.382 1.00 0.00 N ATOM 73 CA ASP A 297 3.674 5.758 -4.235 1.00 0.00 C ATOM 74 C ASP A 297 3.376 6.971 -3.358 1.00 0.00 C ATOM 75 O ASP A 297 4.271 7.752 -3.036 1.00 0.00 O ATOM 76 CB ASP A 297 5.134 5.790 -4.693 1.00 0.00 C ATOM 77 CG ASP A 297 5.321 5.239 -6.094 1.00 0.00 C ATOM 78 OD1 ASP A 297 5.241 4.004 -6.263 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.549 6.044 -7.022 1.00 0.00 O ATOM 0 H ASP A 297 2.253 4.829 -5.460 1.00 0.00 H new ATOM 0 HA ASP A 297 3.511 4.857 -3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.499 6.817 -4.659 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.742 5.213 -3.996 1.00 0.00 H new ATOM 84 N GLU A 298 2.112 7.123 -2.973 1.00 0.00 N ATOM 85 CA GLU A 298 1.698 8.238 -2.130 1.00 0.00 C ATOM 86 C GLU A 298 0.403 7.914 -1.391 1.00 0.00 C ATOM 87 O GLU A 298 -0.630 7.657 -2.009 1.00 0.00 O ATOM 88 CB GLU A 298 1.526 9.505 -2.966 1.00 0.00 C ATOM 89 CG GLU A 298 0.674 9.312 -4.209 1.00 0.00 C ATOM 90 CD GLU A 298 0.567 10.574 -5.044 1.00 0.00 C ATOM 91 OE1 GLU A 298 1.419 10.769 -5.937 1.00 0.00 O ATOM 92 OE2 GLU A 298 -0.369 11.364 -4.806 1.00 0.00 O ATOM 0 H GLU A 298 1.357 6.487 -3.232 1.00 0.00 H new ATOM 0 HA GLU A 298 2.480 8.409 -1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 298 1.075 10.280 -2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 298 2.510 9.868 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 298 1.100 8.514 -4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -0.325 8.990 -3.914 1.00 0.00 H new ATOM 99 N CYS A 299 0.471 7.927 -0.063 1.00 0.00 N ATOM 100 CA CYS A 299 -0.692 7.636 0.771 1.00 0.00 C ATOM 101 C CYS A 299 -1.856 8.554 0.418 1.00 0.00 C ATOM 102 O CYS A 299 -1.706 9.772 0.367 1.00 0.00 O ATOM 103 CB CYS A 299 -0.321 7.786 2.248 1.00 0.00 C ATOM 104 SG CYS A 299 -1.736 7.853 3.398 1.00 0.00 S ATOM 0 H CYS A 299 1.321 8.136 0.460 1.00 0.00 H new ATOM 0 HA CYS A 299 -1.006 6.609 0.585 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.319 6.951 2.532 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.268 8.695 2.368 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.325 7.610 4.607 1.00 0.00 H new ATOM 109 N ALA A 300 -3.020 7.966 0.178 1.00 0.00 N ATOM 110 CA ALA A 300 -4.204 8.734 -0.185 1.00 0.00 C ATOM 111 C ALA A 300 -4.742 9.538 0.995 1.00 0.00 C ATOM 112 O ALA A 300 -5.799 10.161 0.896 1.00 0.00 O ATOM 113 CB ALA A 300 -5.283 7.810 -0.727 1.00 0.00 C ATOM 0 H ALA A 300 -3.170 6.958 0.228 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.913 9.442 -0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -6.163 8.395 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.909 7.293 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.552 7.079 0.035 1.00 0.00 H new ATOM 119 N VAL A 301 -4.017 9.524 2.113 1.00 0.00 N ATOM 120 CA VAL A 301 -4.449 10.258 3.300 1.00 0.00 C ATOM 121 C VAL A 301 -3.386 11.259 3.781 1.00 0.00 C ATOM 122 O VAL A 301 -3.689 12.160 4.564 1.00 0.00 O ATOM 123 CB VAL A 301 -4.831 9.291 4.451 1.00 0.00 C ATOM 124 CG1 VAL A 301 -5.070 7.895 3.908 1.00 0.00 C ATOM 125 CG2 VAL A 301 -3.783 9.287 5.553 1.00 0.00 C ATOM 0 H VAL A 301 -3.138 9.018 2.221 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.334 10.825 3.010 1.00 0.00 H new ATOM 0 HB VAL A 301 -5.758 9.648 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -5.337 7.227 4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.882 7.921 3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -4.163 7.532 3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.086 8.598 6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -2.824 8.970 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -3.686 10.291 5.967 1.00 0.00 H new ATOM 135 N CYS A 302 -2.145 11.103 3.311 1.00 0.00 N ATOM 136 CA CYS A 302 -1.056 12.003 3.715 1.00 0.00 C ATOM 137 C CYS A 302 -0.420 12.694 2.516 1.00 0.00 C ATOM 138 O CYS A 302 0.104 13.802 2.635 1.00 0.00 O ATOM 139 CB CYS A 302 0.041 11.236 4.453 1.00 0.00 C ATOM 140 SG CYS A 302 -0.492 10.424 5.985 1.00 0.00 S ATOM 0 H CYS A 302 -1.869 10.371 2.657 1.00 0.00 H new ATOM 0 HA CYS A 302 -1.502 12.751 4.371 1.00 0.00 H new ATOM 0 HB2 CYS A 302 0.450 10.481 3.782 1.00 0.00 H new ATOM 0 HB3 CYS A 302 0.851 11.926 4.688 1.00 0.00 H new ATOM 0 HG CYS A 302 -0.063 9.197 5.998 1.00 0.00 H new ATOM 145 N ARG A 303 -0.458 12.018 1.371 1.00 0.00 N ATOM 146 CA ARG A 303 0.141 12.526 0.141 1.00 0.00 C ATOM 147 C ARG A 303 1.661 12.435 0.232 1.00 0.00 C ATOM 148 O ARG A 303 2.381 12.952 -0.622 1.00 0.00 O ATOM 149 CB ARG A 303 -0.294 13.970 -0.142 1.00 0.00 C ATOM 150 CG ARG A 303 -1.800 14.174 -0.163 1.00 0.00 C ATOM 151 CD ARG A 303 -2.470 13.259 -1.172 1.00 0.00 C ATOM 152 NE ARG A 303 -3.916 13.455 -1.218 1.00 0.00 N ATOM 153 CZ ARG A 303 -4.747 13.078 -0.249 1.00 0.00 C ATOM 154 NH1 ARG A 303 -4.277 12.496 0.846 1.00 0.00 N ATOM 155 NH2 ARG A 303 -6.051 13.286 -0.375 1.00 0.00 N ATOM 0 H ARG A 303 -0.903 11.106 1.270 1.00 0.00 H new ATOM 0 HA ARG A 303 -0.208 11.910 -0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 303 0.139 14.623 0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.117 14.280 -1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.208 13.984 0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -2.024 15.213 -0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -2.049 13.441 -2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -2.253 12.221 -0.919 1.00 0.00 H new ATOM 0 HE ARG A 303 -4.313 13.908 -2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -3.275 12.336 0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -4.918 12.209 1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -6.417 13.735 -1.215 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -6.688 12.997 0.368 1.00 0.00 H new ATOM 169 N ASP A 304 2.137 11.764 1.282 1.00 0.00 N ATOM 170 CA ASP A 304 3.567 11.582 1.507 1.00 0.00 C ATOM 171 C ASP A 304 3.994 10.162 1.140 1.00 0.00 C ATOM 172 O ASP A 304 3.335 9.498 0.338 1.00 0.00 O ATOM 173 CB ASP A 304 3.917 11.872 2.969 1.00 0.00 C ATOM 174 CG ASP A 304 3.672 13.319 3.349 1.00 0.00 C ATOM 175 OD1 ASP A 304 4.601 14.139 3.195 1.00 0.00 O ATOM 176 OD2 ASP A 304 2.551 13.631 3.803 1.00 0.00 O ATOM 0 H ASP A 304 1.545 11.335 1.994 1.00 0.00 H new ATOM 0 HA ASP A 304 4.105 12.283 0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 304 3.325 11.225 3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 304 4.964 11.626 3.144 1.00 0.00 H new ATOM 181 N GLY A 305 5.092 9.696 1.733 1.00 0.00 N ATOM 182 CA GLY A 305 5.579 8.359 1.441 1.00 0.00 C ATOM 183 C GLY A 305 5.509 7.419 2.629 1.00 0.00 C ATOM 184 O GLY A 305 4.711 7.621 3.544 1.00 0.00 O ATOM 0 H GLY A 305 5.650 10.219 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 305 4.997 7.940 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.612 8.423 1.099 1.00 0.00 H new ATOM 188 N GLY A 306 6.354 6.390 2.609 1.00 0.00 N ATOM 189 CA GLY A 306 6.370 5.406 3.678 1.00 0.00 C ATOM 190 C GLY A 306 5.777 4.086 3.223 1.00 0.00 C ATOM 191 O GLY A 306 5.567 3.886 2.028 1.00 0.00 O ATOM 0 H GLY A 306 7.032 6.220 1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.395 5.249 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 306 5.808 5.784 4.532 1.00 0.00 H new ATOM 195 N GLU A 307 5.507 3.179 4.159 1.00 0.00 N ATOM 196 CA GLU A 307 4.923 1.895 3.803 1.00 0.00 C ATOM 197 C GLU A 307 3.458 2.085 3.436 1.00 0.00 C ATOM 198 O GLU A 307 2.643 2.442 4.287 1.00 0.00 O ATOM 199 CB GLU A 307 5.053 0.910 4.967 1.00 0.00 C ATOM 200 CG GLU A 307 4.532 -0.483 4.651 1.00 0.00 C ATOM 201 CD GLU A 307 5.250 -1.124 3.479 1.00 0.00 C ATOM 202 OE1 GLU A 307 6.343 -1.689 3.688 1.00 0.00 O ATOM 203 OE2 GLU A 307 4.718 -1.060 2.350 1.00 0.00 O ATOM 0 H GLU A 307 5.681 3.309 5.156 1.00 0.00 H new ATOM 0 HA GLU A 307 5.457 1.487 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.102 0.839 5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.512 1.304 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.644 -1.117 5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 307 3.466 -0.427 4.432 1.00 0.00 H new ATOM 210 N LEU A 308 3.124 1.848 2.170 1.00 0.00 N ATOM 211 CA LEU A 308 1.750 2.019 1.719 1.00 0.00 C ATOM 212 C LEU A 308 1.238 0.783 0.979 1.00 0.00 C ATOM 213 O LEU A 308 2.004 0.054 0.351 1.00 0.00 O ATOM 214 CB LEU A 308 1.621 3.240 0.803 1.00 0.00 C ATOM 215 CG LEU A 308 2.730 4.281 0.911 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.703 5.199 -0.300 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.567 5.086 2.186 1.00 0.00 C ATOM 0 H LEU A 308 3.777 1.541 1.449 1.00 0.00 H new ATOM 0 HA LEU A 308 1.143 2.168 2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.577 2.891 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.670 3.729 1.015 1.00 0.00 H new ATOM 0 HG LEU A 308 3.693 3.771 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.499 5.939 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.851 4.611 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.740 5.706 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.364 5.826 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.602 5.592 2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.618 4.419 3.047 1.00 0.00 H new ATOM 229 N ILE A 309 -0.070 0.570 1.065 1.00 0.00 N ATOM 230 CA ILE A 309 -0.735 -0.551 0.412 1.00 0.00 C ATOM 231 C ILE A 309 -1.635 -0.056 -0.717 1.00 0.00 C ATOM 232 O ILE A 309 -2.541 0.746 -0.494 1.00 0.00 O ATOM 233 CB ILE A 309 -1.589 -1.343 1.417 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.378 -2.442 0.703 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.525 -0.405 2.156 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.171 -3.321 1.642 1.00 0.00 C ATOM 0 H ILE A 309 -0.702 1.173 1.592 1.00 0.00 H new ATOM 0 HA ILE A 309 0.039 -1.201 0.005 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.928 -1.818 2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -3.059 -1.983 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.687 -3.063 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -3.126 -0.975 2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.941 0.343 2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.181 0.092 1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.705 -4.078 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.494 -3.809 2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.887 -2.711 2.194 1.00 0.00 H new ATOM 248 N CYS A 310 -1.395 -0.548 -1.923 1.00 0.00 N ATOM 249 CA CYS A 310 -2.177 -0.138 -3.081 1.00 0.00 C ATOM 250 C CYS A 310 -3.455 -0.961 -3.230 1.00 0.00 C ATOM 251 O CYS A 310 -3.484 -2.149 -2.909 1.00 0.00 O ATOM 252 CB CYS A 310 -1.330 -0.253 -4.344 1.00 0.00 C ATOM 253 SG CYS A 310 -2.283 -0.325 -5.879 1.00 0.00 S ATOM 0 H CYS A 310 -0.665 -1.231 -2.126 1.00 0.00 H new ATOM 0 HA CYS A 310 -2.473 0.900 -2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.652 0.599 -4.391 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -0.712 -1.148 -4.272 1.00 0.00 H new ATOM 0 HG CYS A 310 -3.300 -1.119 -5.721 1.00 0.00 H new ATOM 259 N CYS A 311 -4.509 -0.309 -3.721 1.00 0.00 N ATOM 260 CA CYS A 311 -5.796 -0.967 -3.926 1.00 0.00 C ATOM 261 C CYS A 311 -5.754 -1.884 -5.142 1.00 0.00 C ATOM 262 O CYS A 311 -4.977 -1.664 -6.072 1.00 0.00 O ATOM 263 CB CYS A 311 -6.913 0.070 -4.093 1.00 0.00 C ATOM 264 SG CYS A 311 -8.511 -0.644 -4.615 1.00 0.00 S ATOM 0 H CYS A 311 -4.495 0.676 -3.984 1.00 0.00 H new ATOM 0 HA CYS A 311 -6.004 -1.572 -3.043 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -7.052 0.596 -3.148 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -6.600 0.812 -4.828 1.00 0.00 H new ATOM 0 HG CYS A 311 -8.859 -0.138 -5.761 1.00 0.00 H new ATOM 269 N ASP A 312 -6.595 -2.914 -5.126 1.00 0.00 N ATOM 270 CA ASP A 312 -6.663 -3.867 -6.225 1.00 0.00 C ATOM 271 C ASP A 312 -7.502 -3.306 -7.369 1.00 0.00 C ATOM 272 O ASP A 312 -8.498 -3.905 -7.776 1.00 0.00 O ATOM 273 CB ASP A 312 -7.250 -5.195 -5.737 1.00 0.00 C ATOM 274 CG ASP A 312 -7.153 -6.294 -6.776 1.00 0.00 C ATOM 275 OD1 ASP A 312 -6.107 -6.975 -6.823 1.00 0.00 O ATOM 276 OD2 ASP A 312 -8.123 -6.478 -7.542 1.00 0.00 O ATOM 0 H ASP A 312 -7.240 -3.109 -4.360 1.00 0.00 H new ATOM 0 HA ASP A 312 -5.653 -4.044 -6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -6.728 -5.508 -4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -8.296 -5.048 -5.466 1.00 0.00 H new ATOM 281 N GLY A 313 -7.095 -2.148 -7.880 1.00 0.00 N ATOM 282 CA GLY A 313 -7.818 -1.525 -8.971 1.00 0.00 C ATOM 283 C GLY A 313 -7.571 -0.032 -9.059 1.00 0.00 C ATOM 284 O GLY A 313 -7.671 0.553 -10.137 1.00 0.00 O ATOM 0 H GLY A 313 -6.277 -1.631 -7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -7.525 -1.994 -9.910 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -8.885 -1.706 -8.844 1.00 0.00 H new ATOM 288 N CYS A 314 -7.246 0.590 -7.926 1.00 0.00 N ATOM 289 CA CYS A 314 -6.990 2.026 -7.898 1.00 0.00 C ATOM 290 C CYS A 314 -5.497 2.327 -7.769 1.00 0.00 C ATOM 291 O CYS A 314 -4.735 1.523 -7.231 1.00 0.00 O ATOM 292 CB CYS A 314 -7.747 2.694 -6.749 1.00 0.00 C ATOM 293 SG CYS A 314 -9.537 2.358 -6.738 1.00 0.00 S ATOM 0 H CYS A 314 -7.155 0.125 -7.023 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.345 2.433 -8.845 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -7.320 2.358 -5.804 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -7.591 3.771 -6.804 1.00 0.00 H new ATOM 0 HG CYS A 314 -9.961 2.304 -5.510 1.00 0.00 H new ATOM 298 N PRO A 315 -5.072 3.506 -8.254 1.00 0.00 N ATOM 299 CA PRO A 315 -3.676 3.947 -8.210 1.00 0.00 C ATOM 300 C PRO A 315 -3.301 4.516 -6.849 1.00 0.00 C ATOM 301 O PRO A 315 -2.294 5.213 -6.713 1.00 0.00 O ATOM 302 CB PRO A 315 -3.615 5.067 -9.262 1.00 0.00 C ATOM 303 CG PRO A 315 -4.981 5.148 -9.869 1.00 0.00 C ATOM 304 CD PRO A 315 -5.920 4.515 -8.886 1.00 0.00 C ATOM 0 HA PRO A 315 -2.989 3.122 -8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.336 6.016 -8.804 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.865 4.847 -10.021 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -5.260 6.184 -10.060 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -5.012 4.627 -10.826 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.301 5.237 -8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.785 4.070 -9.378 1.00 0.00 H new ATOM 312 N ARG A 316 -4.112 4.211 -5.847 1.00 0.00 N ATOM 313 CA ARG A 316 -3.884 4.719 -4.502 1.00 0.00 C ATOM 314 C ARG A 316 -3.132 3.734 -3.626 1.00 0.00 C ATOM 315 O ARG A 316 -3.047 2.544 -3.928 1.00 0.00 O ATOM 316 CB ARG A 316 -5.215 5.056 -3.840 1.00 0.00 C ATOM 317 CG ARG A 316 -5.827 6.355 -4.324 1.00 0.00 C ATOM 318 CD ARG A 316 -7.162 6.604 -3.646 1.00 0.00 C ATOM 319 NE ARG A 316 -8.229 5.789 -4.221 1.00 0.00 N ATOM 320 CZ ARG A 316 -9.471 6.225 -4.408 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.801 7.466 -4.075 1.00 0.00 N ATOM 322 NH2 ARG A 316 -10.386 5.418 -4.931 1.00 0.00 N ATOM 0 H ARG A 316 -4.934 3.614 -5.940 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.269 5.613 -4.603 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.918 4.243 -4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.069 5.113 -2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.148 7.182 -4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.964 6.318 -5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.074 6.387 -2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -7.423 7.658 -3.736 1.00 0.00 H new ATOM 0 HE ARG A 316 -8.009 4.831 -4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -9.101 8.090 -3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.755 7.796 -4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -10.136 4.463 -5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -11.339 5.752 -5.074 1.00 0.00 H new ATOM 336 N ALA A 317 -2.598 4.263 -2.532 1.00 0.00 N ATOM 337 CA ALA A 317 -1.856 3.487 -1.551 1.00 0.00 C ATOM 338 C ALA A 317 -2.193 4.009 -0.152 1.00 0.00 C ATOM 339 O ALA A 317 -2.502 5.189 -0.001 1.00 0.00 O ATOM 340 CB ALA A 317 -0.365 3.592 -1.819 1.00 0.00 C ATOM 0 H ALA A 317 -2.670 5.254 -2.300 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.136 2.436 -1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.180 3.007 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.147 3.209 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.057 4.636 -1.756 1.00 0.00 H new ATOM 346 N PHE A 318 -2.148 3.155 0.869 1.00 0.00 N ATOM 347 CA PHE A 318 -2.481 3.601 2.225 1.00 0.00 C ATOM 348 C PHE A 318 -1.463 3.159 3.275 1.00 0.00 C ATOM 349 O PHE A 318 -0.859 2.098 3.179 1.00 0.00 O ATOM 350 CB PHE A 318 -3.866 3.097 2.616 1.00 0.00 C ATOM 351 CG PHE A 318 -4.982 3.799 1.909 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.340 3.407 0.641 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.675 4.835 2.512 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.370 4.030 -0.028 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.709 5.469 1.849 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.058 5.063 0.575 1.00 0.00 C ATOM 0 H PHE A 318 -1.891 2.171 0.790 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.464 4.691 2.203 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.928 2.030 2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -3.996 3.217 3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.806 2.599 0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.405 5.150 3.509 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.639 3.710 -1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.242 6.279 2.325 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.867 5.553 0.053 1.00 0.00 H new ATOM 366 N HIS A 319 -1.315 3.990 4.299 1.00 0.00 N ATOM 367 CA HIS A 319 -0.386 3.733 5.396 1.00 0.00 C ATOM 368 C HIS A 319 -0.920 2.690 6.368 1.00 0.00 C ATOM 369 O HIS A 319 -0.688 2.802 7.570 1.00 0.00 O ATOM 370 CB HIS A 319 -0.165 5.014 6.179 1.00 0.00 C ATOM 371 CG HIS A 319 1.015 5.827 5.770 1.00 0.00 C ATOM 372 ND1 HIS A 319 0.907 7.170 5.549 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.316 5.510 5.596 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.096 7.669 5.265 1.00 0.00 C ATOM 375 NE2 HIS A 319 2.974 6.678 5.287 1.00 0.00 N ATOM 0 H HIS A 319 -1.835 4.862 4.394 1.00 0.00 H new ATOM 0 HA HIS A 319 0.539 3.365 4.953 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -1.058 5.632 6.088 1.00 0.00 H new ATOM 0 HB3 HIS A 319 -0.060 4.760 7.234 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.756 4.527 5.683 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.314 8.705 5.052 1.00 0.00 H new ATOM 0 HE2 HIS A 319 3.974 6.766 5.105 1.00 0.00 H new ATOM 383 N LEU A 320 -1.648 1.700 5.868 1.00 0.00 N ATOM 384 CA LEU A 320 -2.193 0.658 6.732 1.00 0.00 C ATOM 385 C LEU A 320 -3.200 1.239 7.715 1.00 0.00 C ATOM 386 O LEU A 320 -4.410 1.127 7.528 1.00 0.00 O ATOM 387 CB LEU A 320 -1.066 -0.020 7.501 1.00 0.00 C ATOM 388 CG LEU A 320 0.030 -0.662 6.648 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.513 -1.929 7.300 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.470 -0.956 5.246 1.00 0.00 C ATOM 0 H LEU A 320 -1.874 1.595 4.879 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.701 -0.074 6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.604 0.718 8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.499 -0.789 8.141 1.00 0.00 H new ATOM 0 HG LEU A 320 0.858 0.042 6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.293 -2.380 6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.915 -1.700 8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.318 -2.627 7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.330 -1.412 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.317 -1.641 5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.783 -0.027 4.769 1.00 0.00 H new ATOM 402 N ALA A 321 -2.681 1.857 8.769 1.00 0.00 N ATOM 403 CA ALA A 321 -3.511 2.467 9.792 1.00 0.00 C ATOM 404 C ALA A 321 -4.212 3.710 9.260 1.00 0.00 C ATOM 405 O ALA A 321 -5.168 4.198 9.863 1.00 0.00 O ATOM 406 CB ALA A 321 -2.667 2.808 11.007 1.00 0.00 C ATOM 0 H ALA A 321 -1.679 1.947 8.935 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.280 1.752 10.084 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.296 3.265 11.770 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.217 1.898 11.405 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.880 3.506 10.719 1.00 0.00 H new ATOM 412 N CYS A 322 -3.734 4.221 8.125 1.00 0.00 N ATOM 413 CA CYS A 322 -4.342 5.412 7.519 1.00 0.00 C ATOM 414 C CYS A 322 -5.681 5.055 6.890 1.00 0.00 C ATOM 415 O CYS A 322 -6.406 5.915 6.389 1.00 0.00 O ATOM 416 CB CYS A 322 -3.410 6.045 6.483 1.00 0.00 C ATOM 417 SG CYS A 322 -2.223 7.221 7.206 1.00 0.00 S ATOM 0 H CYS A 322 -2.940 3.838 7.611 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.508 6.147 8.307 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.862 5.256 5.968 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -4.009 6.560 5.732 1.00 0.00 H new ATOM 0 HG CYS A 322 -1.119 7.201 6.520 1.00 0.00 H new ATOM 422 N LEU A 323 -5.987 3.770 6.930 1.00 0.00 N ATOM 423 CA LEU A 323 -7.229 3.233 6.397 1.00 0.00 C ATOM 424 C LEU A 323 -8.328 3.284 7.451 1.00 0.00 C ATOM 425 O LEU A 323 -8.031 3.203 8.643 1.00 0.00 O ATOM 426 CB LEU A 323 -6.989 1.778 6.001 1.00 0.00 C ATOM 427 CG LEU A 323 -6.141 1.572 4.753 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.482 0.204 4.789 1.00 0.00 C ATOM 429 CD2 LEU A 323 -6.987 1.715 3.504 1.00 0.00 C ATOM 0 H LEU A 323 -5.375 3.063 7.337 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.541 3.825 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.508 1.267 6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.955 1.297 5.847 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.365 2.337 4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -4.878 0.067 3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -4.845 0.130 5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.250 -0.569 4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -6.363 1.564 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -7.783 0.971 3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.424 2.713 3.473 1.00 0.00 H new ATOM 441 N SER A 324 -9.592 3.438 7.034 1.00 0.00 N ATOM 442 CA SER A 324 -10.680 3.440 8.009 1.00 0.00 C ATOM 443 C SER A 324 -10.469 2.234 8.917 1.00 0.00 C ATOM 444 O SER A 324 -10.433 2.372 10.141 1.00 0.00 O ATOM 445 CB SER A 324 -12.063 3.423 7.339 1.00 0.00 C ATOM 446 OG SER A 324 -13.092 3.270 8.300 1.00 0.00 O ATOM 0 H SER A 324 -9.876 3.559 6.062 1.00 0.00 H new ATOM 0 HA SER A 324 -10.661 4.361 8.591 1.00 0.00 H new ATOM 0 HB2 SER A 324 -12.214 4.349 6.784 1.00 0.00 H new ATOM 0 HB3 SER A 324 -12.111 2.608 6.617 1.00 0.00 H new ATOM 0 HG SER A 324 -13.962 3.264 7.849 1.00 0.00 H new ATOM 452 N PRO A 325 -10.317 1.025 8.330 1.00 0.00 N ATOM 453 CA PRO A 325 -9.999 -0.172 9.063 1.00 0.00 C ATOM 454 C PRO A 325 -8.515 -0.458 8.879 1.00 0.00 C ATOM 455 O PRO A 325 -8.055 -0.667 7.757 1.00 0.00 O ATOM 456 CB PRO A 325 -10.857 -1.218 8.377 1.00 0.00 C ATOM 457 CG PRO A 325 -11.036 -0.726 6.967 1.00 0.00 C ATOM 458 CD PRO A 325 -10.491 0.687 6.909 1.00 0.00 C ATOM 0 HA PRO A 325 -10.185 -0.127 10.136 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.374 -2.195 8.394 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.818 -1.329 8.879 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.507 -1.371 6.265 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -12.089 -0.744 6.685 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.549 0.736 6.363 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.183 1.368 6.413 1.00 0.00 H new ATOM 466 N PRO A 326 -7.742 -0.482 9.963 1.00 0.00 N ATOM 467 CA PRO A 326 -6.303 -0.663 9.871 1.00 0.00 C ATOM 468 C PRO A 326 -5.877 -2.100 9.659 1.00 0.00 C ATOM 469 O PRO A 326 -6.472 -3.039 10.190 1.00 0.00 O ATOM 470 CB PRO A 326 -5.814 -0.131 11.201 1.00 0.00 C ATOM 471 CG PRO A 326 -6.914 -0.447 12.152 1.00 0.00 C ATOM 472 CD PRO A 326 -8.199 -0.389 11.358 1.00 0.00 C ATOM 0 HA PRO A 326 -5.886 -0.151 9.004 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -4.880 -0.607 11.501 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.624 0.941 11.155 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.774 -1.434 12.592 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.933 0.269 12.974 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.869 -1.209 11.617 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.743 0.537 11.542 1.00 0.00 H new ATOM 480 N LEU A 327 -4.829 -2.245 8.867 1.00 0.00 N ATOM 481 CA LEU A 327 -4.274 -3.539 8.534 1.00 0.00 C ATOM 482 C LEU A 327 -3.211 -3.959 9.537 1.00 0.00 C ATOM 483 O LEU A 327 -2.017 -3.781 9.294 1.00 0.00 O ATOM 484 CB LEU A 327 -3.673 -3.483 7.138 1.00 0.00 C ATOM 485 CG LEU A 327 -4.575 -2.837 6.102 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.847 -2.641 4.796 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.807 -3.683 5.900 1.00 0.00 C ATOM 0 H LEU A 327 -4.338 -1.462 8.436 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.075 -4.277 8.566 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.733 -2.932 7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.434 -4.497 6.816 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.873 -1.854 6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.517 -2.177 4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -2.982 -1.997 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.516 -3.607 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.451 -3.215 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.515 -4.675 5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.347 -3.771 6.843 1.00 0.00 H new ATOM 499 N ARG A 328 -3.649 -4.501 10.670 1.00 0.00 N ATOM 500 CA ARG A 328 -2.721 -4.976 11.692 1.00 0.00 C ATOM 501 C ARG A 328 -1.677 -5.867 11.038 1.00 0.00 C ATOM 502 O ARG A 328 -0.575 -6.062 11.552 1.00 0.00 O ATOM 503 CB ARG A 328 -3.473 -5.766 12.757 1.00 0.00 C ATOM 504 CG ARG A 328 -4.600 -4.997 13.405 1.00 0.00 C ATOM 505 CD ARG A 328 -5.362 -5.858 14.399 1.00 0.00 C ATOM 506 NE ARG A 328 -6.496 -5.148 14.984 1.00 0.00 N ATOM 507 CZ ARG A 328 -7.328 -5.691 15.867 1.00 0.00 C ATOM 508 NH1 ARG A 328 -7.149 -6.944 16.267 1.00 0.00 N ATOM 509 NH2 ARG A 328 -8.339 -4.984 16.351 1.00 0.00 N ATOM 0 H ARG A 328 -4.635 -4.622 10.903 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.236 -4.122 12.165 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -3.877 -6.673 12.306 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -2.769 -6.079 13.528 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -4.199 -4.121 13.914 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -5.283 -4.635 12.637 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -5.718 -6.759 13.900 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -4.687 -6.179 15.193 1.00 0.00 H new ATOM 0 HE ARG A 328 -6.659 -4.182 14.699 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -6.372 -7.492 15.897 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -7.788 -7.359 16.945 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -8.480 -4.021 16.046 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -8.976 -5.403 17.028 1.00 0.00 H new ATOM 523 N GLU A 329 -2.063 -6.396 9.886 1.00 0.00 N ATOM 524 CA GLU A 329 -1.216 -7.263 9.087 1.00 0.00 C ATOM 525 C GLU A 329 -1.736 -7.280 7.657 1.00 0.00 C ATOM 526 O GLU A 329 -2.872 -7.682 7.405 1.00 0.00 O ATOM 527 CB GLU A 329 -1.181 -8.679 9.667 1.00 0.00 C ATOM 528 CG GLU A 329 -2.558 -9.252 9.950 1.00 0.00 C ATOM 529 CD GLU A 329 -2.500 -10.573 10.692 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.317 -11.618 10.031 1.00 0.00 O ATOM 531 OE2 GLU A 329 -2.637 -10.565 11.934 1.00 0.00 O ATOM 0 H GLU A 329 -2.983 -6.232 9.477 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.196 -6.880 9.099 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -0.659 -9.335 8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.603 -8.670 10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.132 -8.535 10.537 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.090 -9.392 9.009 1.00 0.00 H new ATOM 538 N ILE A 330 -0.898 -6.830 6.732 1.00 0.00 N ATOM 539 CA ILE A 330 -1.262 -6.749 5.329 1.00 0.00 C ATOM 540 C ILE A 330 -2.071 -7.953 4.846 1.00 0.00 C ATOM 541 O ILE A 330 -1.706 -9.103 5.091 1.00 0.00 O ATOM 542 CB ILE A 330 -0.007 -6.576 4.473 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.646 -5.249 4.846 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.342 -6.631 2.986 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.178 -4.046 4.490 1.00 0.00 C ATOM 0 H ILE A 330 0.050 -6.512 6.935 1.00 0.00 H new ATOM 0 HA ILE A 330 -1.909 -5.878 5.221 1.00 0.00 H new ATOM 0 HB ILE A 330 0.688 -7.394 4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.841 -5.240 5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.612 -5.177 4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.570 -6.505 2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.793 -7.595 2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.042 -5.833 2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.352 -3.141 4.786 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.351 -4.029 3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.134 -4.093 5.011 1.00 0.00 H new ATOM 557 N PRO A 331 -3.196 -7.675 4.150 1.00 0.00 N ATOM 558 CA PRO A 331 -4.097 -8.695 3.604 1.00 0.00 C ATOM 559 C PRO A 331 -3.361 -9.900 3.023 1.00 0.00 C ATOM 560 O PRO A 331 -2.231 -9.780 2.544 1.00 0.00 O ATOM 561 CB PRO A 331 -4.812 -7.935 2.499 1.00 0.00 C ATOM 562 CG PRO A 331 -4.913 -6.549 3.026 1.00 0.00 C ATOM 563 CD PRO A 331 -3.680 -6.315 3.847 1.00 0.00 C ATOM 0 HA PRO A 331 -4.748 -9.118 4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.252 -7.967 1.565 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -5.796 -8.358 2.295 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -4.979 -5.828 2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.811 -6.429 3.632 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -2.936 -5.739 3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.905 -5.758 4.757 1.00 0.00 H new ATOM 571 N SER A 332 -4.022 -11.055 3.047 1.00 0.00 N ATOM 572 CA SER A 332 -3.433 -12.287 2.537 1.00 0.00 C ATOM 573 C SER A 332 -3.364 -12.284 1.012 1.00 0.00 C ATOM 574 O SER A 332 -2.282 -12.199 0.432 1.00 0.00 O ATOM 575 CB SER A 332 -4.230 -13.493 3.021 1.00 0.00 C ATOM 576 OG SER A 332 -3.870 -14.664 2.309 1.00 0.00 O ATOM 0 H SER A 332 -4.967 -11.162 3.415 1.00 0.00 H new ATOM 0 HA SER A 332 -2.415 -12.352 2.920 1.00 0.00 H new ATOM 0 HB2 SER A 332 -4.056 -13.644 4.086 1.00 0.00 H new ATOM 0 HB3 SER A 332 -5.296 -13.302 2.897 1.00 0.00 H new ATOM 0 HG SER A 332 -4.395 -15.423 2.640 1.00 0.00 H new ATOM 582 N GLY A 333 -4.525 -12.379 0.370 1.00 0.00 N ATOM 583 CA GLY A 333 -4.570 -12.391 -1.081 1.00 0.00 C ATOM 584 C GLY A 333 -4.691 -11.001 -1.674 1.00 0.00 C ATOM 585 O GLY A 333 -3.686 -10.323 -1.892 1.00 0.00 O ATOM 0 H GLY A 333 -5.434 -12.448 0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -3.668 -12.868 -1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -5.415 -12.996 -1.409 1.00 0.00 H new ATOM 589 N THR A 334 -5.922 -10.576 -1.934 1.00 0.00 N ATOM 590 CA THR A 334 -6.174 -9.259 -2.510 1.00 0.00 C ATOM 591 C THR A 334 -6.596 -8.256 -1.442 1.00 0.00 C ATOM 592 O THR A 334 -6.661 -8.583 -0.257 1.00 0.00 O ATOM 593 CB THR A 334 -7.260 -9.326 -3.599 1.00 0.00 C ATOM 594 OG1 THR A 334 -8.436 -9.957 -3.082 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.760 -10.091 -4.815 1.00 0.00 C ATOM 0 H THR A 334 -6.763 -11.125 -1.755 1.00 0.00 H new ATOM 0 HA THR A 334 -5.238 -8.926 -2.958 1.00 0.00 H new ATOM 0 HB THR A 334 -7.500 -8.307 -3.904 1.00 0.00 H new ATOM 0 HG1 THR A 334 -9.060 -10.138 -3.816 1.00 0.00 H new ATOM 0 HG21 THR A 334 -7.544 -10.125 -5.571 1.00 0.00 H new ATOM 0 HG22 THR A 334 -5.883 -9.590 -5.225 1.00 0.00 H new ATOM 0 HG23 THR A 334 -6.494 -11.107 -4.522 1.00 0.00 H new ATOM 603 N TRP A 335 -6.887 -7.031 -1.875 1.00 0.00 N ATOM 604 CA TRP A 335 -7.299 -5.967 -0.966 1.00 0.00 C ATOM 605 C TRP A 335 -7.805 -4.757 -1.742 1.00 0.00 C ATOM 606 O TRP A 335 -7.212 -4.358 -2.743 1.00 0.00 O ATOM 607 CB TRP A 335 -6.133 -5.556 -0.065 1.00 0.00 C ATOM 608 CG TRP A 335 -6.448 -4.390 0.822 1.00 0.00 C ATOM 609 CD1 TRP A 335 -6.977 -4.435 2.083 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.251 -3.004 0.518 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.111 -3.161 2.580 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.678 -2.276 1.640 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.756 -2.303 -0.587 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.626 -0.901 1.694 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.706 -0.920 -0.529 1.00 0.00 C ATOM 616 CH2 TRP A 335 -6.141 -0.233 0.609 1.00 0.00 C ATOM 0 H TRP A 335 -6.844 -6.751 -2.855 1.00 0.00 H new ATOM 0 HA TRP A 335 -8.111 -6.347 -0.347 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.844 -6.406 0.554 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.273 -5.308 -0.687 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.249 -5.338 2.610 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.475 -2.918 3.501 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.420 -2.830 -1.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -6.960 -0.367 2.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -5.326 -0.365 -1.374 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -6.092 0.846 0.629 1.00 0.00 H new ATOM 627 N ARG A 336 -8.902 -4.175 -1.270 1.00 0.00 N ATOM 628 CA ARG A 336 -9.489 -3.014 -1.915 1.00 0.00 C ATOM 629 C ARG A 336 -9.421 -1.793 -1.019 1.00 0.00 C ATOM 630 O ARG A 336 -9.197 -1.899 0.185 1.00 0.00 O ATOM 631 CB ARG A 336 -10.948 -3.291 -2.258 1.00 0.00 C ATOM 632 CG ARG A 336 -11.156 -3.805 -3.659 1.00 0.00 C ATOM 633 CD ARG A 336 -10.759 -5.245 -3.718 1.00 0.00 C ATOM 634 NE ARG A 336 -11.150 -5.883 -4.973 1.00 0.00 N ATOM 635 CZ ARG A 336 -10.628 -7.021 -5.418 1.00 0.00 C ATOM 636 NH1 ARG A 336 -9.694 -7.648 -4.715 1.00 0.00 N ATOM 637 NH2 ARG A 336 -11.041 -7.537 -6.568 1.00 0.00 N ATOM 0 H ARG A 336 -9.402 -4.492 -0.439 1.00 0.00 H new ATOM 0 HA ARG A 336 -8.919 -2.817 -2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.346 -4.019 -1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.523 -2.374 -2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -12.200 -3.691 -3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.563 -3.223 -4.365 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -9.679 -5.326 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -11.216 -5.779 -2.885 1.00 0.00 H new ATOM 0 HE ARG A 336 -11.865 -5.428 -5.541 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -9.374 -7.257 -3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -9.296 -8.521 -5.060 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -11.760 -7.060 -7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -10.639 -8.411 -6.908 1.00 0.00 H new ATOM 651 N CYS A 337 -9.613 -0.629 -1.621 1.00 0.00 N ATOM 652 CA CYS A 337 -9.620 0.619 -0.870 1.00 0.00 C ATOM 653 C CYS A 337 -11.024 0.842 -0.327 1.00 0.00 C ATOM 654 O CYS A 337 -11.990 0.468 -0.978 1.00 0.00 O ATOM 655 CB CYS A 337 -9.187 1.802 -1.745 1.00 0.00 C ATOM 656 SG CYS A 337 -10.388 2.282 -3.030 1.00 0.00 S ATOM 0 H CYS A 337 -9.766 -0.522 -2.624 1.00 0.00 H new ATOM 0 HA CYS A 337 -8.905 0.550 -0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -9.001 2.662 -1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -8.241 1.553 -2.226 1.00 0.00 H new ATOM 0 HG CYS A 337 -10.786 1.222 -3.670 1.00 0.00 H new ATOM 661 N SER A 338 -11.132 1.439 0.859 1.00 0.00 N ATOM 662 CA SER A 338 -12.434 1.677 1.495 1.00 0.00 C ATOM 663 C SER A 338 -13.565 1.859 0.481 1.00 0.00 C ATOM 664 O SER A 338 -14.630 1.263 0.628 1.00 0.00 O ATOM 665 CB SER A 338 -12.361 2.885 2.424 1.00 0.00 C ATOM 666 OG SER A 338 -11.622 3.941 1.837 1.00 0.00 O ATOM 0 H SER A 338 -10.334 1.768 1.402 1.00 0.00 H new ATOM 0 HA SER A 338 -12.667 0.784 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 338 -13.369 3.229 2.657 1.00 0.00 H new ATOM 0 HB3 SER A 338 -11.898 2.594 3.367 1.00 0.00 H new ATOM 0 HG SER A 338 -11.593 4.702 2.454 1.00 0.00 H new ATOM 672 N SER A 339 -13.335 2.675 -0.544 1.00 0.00 N ATOM 673 CA SER A 339 -14.344 2.909 -1.573 1.00 0.00 C ATOM 674 C SER A 339 -14.776 1.597 -2.227 1.00 0.00 C ATOM 675 O SER A 339 -15.963 1.267 -2.267 1.00 0.00 O ATOM 676 CB SER A 339 -13.800 3.864 -2.624 1.00 0.00 C ATOM 677 OG SER A 339 -14.740 4.073 -3.665 1.00 0.00 O ATOM 0 H SER A 339 -12.462 3.184 -0.684 1.00 0.00 H new ATOM 0 HA SER A 339 -15.219 3.355 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 339 -13.552 4.818 -2.158 1.00 0.00 H new ATOM 0 HB3 SER A 339 -12.876 3.462 -3.040 1.00 0.00 H new ATOM 0 HG SER A 339 -14.364 4.692 -4.325 1.00 0.00 H new ATOM 683 N CYS A 340 -13.799 0.857 -2.738 1.00 0.00 N ATOM 684 CA CYS A 340 -14.045 -0.420 -3.383 1.00 0.00 C ATOM 685 C CYS A 340 -14.571 -1.436 -2.378 1.00 0.00 C ATOM 686 O CYS A 340 -15.591 -2.086 -2.600 1.00 0.00 O ATOM 687 CB CYS A 340 -12.742 -0.938 -3.988 1.00 0.00 C ATOM 688 SG CYS A 340 -12.154 -0.016 -5.441 1.00 0.00 S ATOM 0 H CYS A 340 -12.816 1.128 -2.715 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.792 -0.280 -4.164 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.967 -0.913 -3.222 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.879 -1.982 -4.269 1.00 0.00 H new ATOM 0 HG CYS A 340 -10.854 -0.030 -5.467 1.00 0.00 H new ATOM 693 N LEU A 341 -13.835 -1.559 -1.282 1.00 0.00 N ATOM 694 CA LEU A 341 -14.155 -2.471 -0.194 1.00 0.00 C ATOM 695 C LEU A 341 -15.653 -2.588 0.059 1.00 0.00 C ATOM 696 O LEU A 341 -16.184 -3.692 0.179 1.00 0.00 O ATOM 697 CB LEU A 341 -13.447 -1.996 1.066 1.00 0.00 C ATOM 698 CG LEU A 341 -11.984 -2.407 1.165 1.00 0.00 C ATOM 699 CD1 LEU A 341 -11.291 -1.667 2.290 1.00 0.00 C ATOM 700 CD2 LEU A 341 -11.882 -3.907 1.354 1.00 0.00 C ATOM 0 H LEU A 341 -12.985 -1.019 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 341 -13.811 -3.466 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -13.509 -0.909 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -13.979 -2.384 1.934 1.00 0.00 H new ATOM 0 HG LEU A 341 -11.480 -2.139 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -10.247 -1.977 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -11.342 -0.594 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -11.784 -1.896 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -10.833 -4.194 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -12.399 -4.194 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -12.341 -4.413 0.504 1.00 0.00 H new ATOM 803 N ALA B 1 -1.928 -8.545 -0.477 1.00 0.00 N ATOM 804 CA ALA B 1 -2.044 -7.076 -0.668 1.00 0.00 C ATOM 805 C ALA B 1 -0.689 -6.455 -1.000 1.00 0.00 C ATOM 806 O ALA B 1 0.245 -6.513 -0.201 1.00 0.00 O ATOM 807 CB ALA B 1 -2.638 -6.442 0.580 1.00 0.00 C ATOM 0 H1 ALA B 1 -2.639 -9.028 -1.062 1.00 0.00 H new ATOM 0 H2 ALA B 1 -0.977 -8.858 -0.759 1.00 0.00 H new ATOM 0 H3 ALA B 1 -2.086 -8.778 0.524 1.00 0.00 H new ATOM 0 HA ALA B 1 -2.707 -6.886 -1.512 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -2.722 -5.365 0.436 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.627 -6.861 0.766 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -1.992 -6.645 1.434 1.00 0.00 H new ATOM 815 N ARG B 2 -0.594 -5.866 -2.191 1.00 0.00 N ATOM 816 CA ARG B 2 0.643 -5.235 -2.641 1.00 0.00 C ATOM 817 C ARG B 2 0.932 -3.967 -1.846 1.00 0.00 C ATOM 818 O ARG B 2 0.233 -2.964 -1.985 1.00 0.00 O ATOM 819 CB ARG B 2 0.565 -4.897 -4.134 1.00 0.00 C ATOM 820 CG ARG B 2 0.515 -6.119 -5.040 1.00 0.00 C ATOM 821 CD ARG B 2 -0.878 -6.726 -5.093 1.00 0.00 C ATOM 822 NE ARG B 2 -1.849 -5.810 -5.685 1.00 0.00 N ATOM 823 CZ ARG B 2 -2.979 -6.205 -6.266 1.00 0.00 C ATOM 824 NH1 ARG B 2 -3.287 -7.494 -6.321 1.00 0.00 N ATOM 825 NH2 ARG B 2 -3.803 -5.309 -6.790 1.00 0.00 N ATOM 0 H ARG B 2 -1.361 -5.813 -2.862 1.00 0.00 H new ATOM 0 HA ARG B 2 1.454 -5.945 -2.476 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -0.321 -4.287 -4.313 1.00 0.00 H new ATOM 0 HB3 ARG B 2 1.429 -4.291 -4.405 1.00 0.00 H new ATOM 0 HG2 ARG B 2 0.828 -5.839 -6.046 1.00 0.00 H new ATOM 0 HG3 ARG B 2 1.224 -6.866 -4.682 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.850 -7.649 -5.672 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.197 -6.991 -4.085 1.00 0.00 H new ATOM 0 HE ARG B 2 -1.650 -4.810 -5.651 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -2.657 -8.187 -5.917 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -4.154 -7.793 -6.767 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -3.571 -4.317 -6.748 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -4.669 -5.612 -7.235 1.00 0.00 H new ATOM 839 N THR B 3 1.964 -4.021 -1.010 1.00 0.00 N ATOM 840 CA THR B 3 2.344 -2.873 -0.193 1.00 0.00 C ATOM 841 C THR B 3 3.854 -2.655 -0.238 1.00 0.00 C ATOM 842 O THR B 3 4.629 -3.522 0.168 1.00 0.00 O ATOM 843 CB THR B 3 1.893 -3.048 1.271 1.00 0.00 C ATOM 844 OG1 THR B 3 2.883 -3.773 2.011 1.00 0.00 O ATOM 845 CG2 THR B 3 0.570 -3.788 1.338 1.00 0.00 C ATOM 0 H THR B 3 2.551 -4.845 -0.880 1.00 0.00 H new ATOM 0 HA THR B 3 1.841 -2.000 -0.608 1.00 0.00 H new ATOM 0 HB THR B 3 1.768 -2.058 1.709 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.548 -4.143 1.393 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.269 -3.901 2.379 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.191 -3.223 0.800 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.680 -4.772 0.883 1.00 0.00 H new ATOM 853 N LYS B 4 4.266 -1.496 -0.740 1.00 0.00 N ATOM 854 CA LYS B 4 5.683 -1.169 -0.843 1.00 0.00 C ATOM 855 C LYS B 4 5.981 0.193 -0.226 1.00 0.00 C ATOM 856 O LYS B 4 5.139 1.091 -0.239 1.00 0.00 O ATOM 857 CB LYS B 4 6.124 -1.181 -2.309 1.00 0.00 C ATOM 858 CG LYS B 4 5.180 -0.431 -3.235 1.00 0.00 C ATOM 859 CD LYS B 4 5.931 0.277 -4.350 1.00 0.00 C ATOM 860 CE LYS B 4 6.679 1.496 -3.833 1.00 0.00 C ATOM 861 NZ LYS B 4 7.402 2.205 -4.924 1.00 0.00 N ATOM 0 H LYS B 4 3.639 -0.768 -1.082 1.00 0.00 H new ATOM 0 HA LYS B 4 6.242 -1.925 -0.291 1.00 0.00 H new ATOM 0 HB2 LYS B 4 7.119 -0.741 -2.384 1.00 0.00 H new ATOM 0 HB3 LYS B 4 6.206 -2.214 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS B 4 4.462 -1.129 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS B 4 4.610 0.299 -2.660 1.00 0.00 H new ATOM 0 HD2 LYS B 4 6.636 -0.415 -4.811 1.00 0.00 H new ATOM 0 HD3 LYS B 4 5.229 0.582 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS B 4 5.975 2.180 -3.359 1.00 0.00 H new ATOM 0 HE3 LYS B 4 7.390 1.188 -3.066 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 8.183 2.761 -4.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 7.784 1.510 -5.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 6.745 2.841 -5.420 1.00 0.00 H new ATOM 875 N GLN B 5 7.188 0.338 0.315 1.00 0.00 N ATOM 876 CA GLN B 5 7.605 1.589 0.936 1.00 0.00 C ATOM 877 C GLN B 5 8.221 2.526 -0.100 1.00 0.00 C ATOM 878 O GLN B 5 9.086 2.122 -0.879 1.00 0.00 O ATOM 879 CB GLN B 5 8.612 1.315 2.057 1.00 0.00 C ATOM 880 CG GLN B 5 9.063 2.566 2.791 1.00 0.00 C ATOM 881 CD GLN B 5 10.081 2.270 3.877 1.00 0.00 C ATOM 882 OE1 GLN B 5 10.075 1.193 4.472 1.00 0.00 O ATOM 883 NE2 GLN B 5 10.961 3.229 4.140 1.00 0.00 N ATOM 0 H GLN B 5 7.894 -0.398 0.335 1.00 0.00 H new ATOM 0 HA GLN B 5 6.724 2.071 1.360 1.00 0.00 H new ATOM 0 HB2 GLN B 5 8.166 0.625 2.773 1.00 0.00 H new ATOM 0 HB3 GLN B 5 9.485 0.817 1.635 1.00 0.00 H new ATOM 0 HG2 GLN B 5 9.493 3.267 2.076 1.00 0.00 H new ATOM 0 HG3 GLN B 5 8.196 3.055 3.235 1.00 0.00 H new ATOM 0 HE21 GLN B 5 10.929 4.107 3.622 1.00 0.00 H new ATOM 0 HE22 GLN B 5 11.669 3.088 4.860 1.00 0.00 H new ATOM 892 N THR B 6 7.769 3.777 -0.106 1.00 0.00 N ATOM 893 CA THR B 6 8.278 4.766 -1.049 1.00 0.00 C ATOM 894 C THR B 6 9.036 5.877 -0.329 1.00 0.00 C ATOM 895 O THR B 6 8.931 6.025 0.888 1.00 0.00 O ATOM 896 CB THR B 6 7.140 5.389 -1.882 1.00 0.00 C ATOM 897 OG1 THR B 6 7.681 6.298 -2.848 1.00 0.00 O ATOM 898 CG2 THR B 6 6.146 6.123 -0.994 1.00 0.00 C ATOM 0 H THR B 6 7.053 4.128 0.530 1.00 0.00 H new ATOM 0 HA THR B 6 8.960 4.241 -1.718 1.00 0.00 H new ATOM 0 HB THR B 6 6.616 4.581 -2.392 1.00 0.00 H new ATOM 0 HG1 THR B 6 7.031 7.009 -3.028 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.355 6.552 -1.610 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.711 5.424 -0.280 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.659 6.920 -0.455 1.00 0.00 H new