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 USER MOD Set 1.2: A 338 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 311 CYS SG : rot 164:sc= 1.23 USER MOD Set 2.2: A 314 CYS SG : rot -41:sc= 1.36 USER MOD Set 2.3: A 337 CYS SG : rot -128:sc= -0.243 USER MOD Set 2.4: A 340 CYS SG : rot 79:sc= 0.229 USER MOD Set 3.1: A 299 CYS SG : rot -136:sc= -4.08! USER MOD Set 3.2: A 302 CYS SG : rot 106:sc= -1.63! USER MOD Set 3.3: A 319 HIS : no HD1:sc= -0.0502 K(o=-9.7,f=-13!) USER MOD Set 3.4: A 322 CYS SG : rot 152:sc= -3.91! USER MOD Set 4.1: A 295 ASN : amide:sc= -5.44! C(o=-9.9!,f=-9.3!) USER MOD Set 4.2: A 310 CYS SG : rot 90:sc= -4.49! USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot -13:sc= 0.62 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -143:sc= -2.62! (180deg=-4.22!) USER MOD Single : B 3 THR OG1 : rot -3:sc= 0.8 USER MOD Single : B 4 LYS NZ :NH3+ 146:sc= 1.07 (180deg=0.161) USER MOD Single : B 5 GLN : amide:sc= -1.36! K(o=-1.4!,f=-0.042) USER MOD Single : B 6 THR OG1 : rot -174:sc= 0.0021 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 295 0.773 1.595 -8.823 1.00 0.00 N ATOM 44 CA ASN A 295 -0.004 2.516 -7.999 1.00 0.00 C ATOM 45 C ASN A 295 0.825 3.746 -7.653 1.00 0.00 C ATOM 46 O ASN A 295 2.056 3.705 -7.686 1.00 0.00 O ATOM 47 CB ASN A 295 -0.465 1.827 -6.708 1.00 0.00 C ATOM 48 CG ASN A 295 -0.225 2.681 -5.476 1.00 0.00 C ATOM 49 OD1 ASN A 295 -1.112 3.405 -5.028 1.00 0.00 O ATOM 50 ND2 ASN A 295 0.983 2.608 -4.930 1.00 0.00 N ATOM 0 HA ASN A 295 -0.881 2.824 -8.569 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -1.527 1.594 -6.784 1.00 0.00 H new ATOM 0 HB3 ASN A 295 0.062 0.879 -6.598 1.00 0.00 H new ATOM 0 HD21 ASN A 295 1.205 3.166 -4.106 1.00 0.00 H new ATOM 0 HD22 ASN A 295 1.689 1.993 -5.335 1.00 0.00 H new ATOM 57 N GLU A 296 0.152 4.841 -7.331 1.00 0.00 N ATOM 58 CA GLU A 296 0.850 6.056 -6.954 1.00 0.00 C ATOM 59 C GLU A 296 1.554 5.835 -5.621 1.00 0.00 C ATOM 60 O GLU A 296 0.907 5.511 -4.625 1.00 0.00 O ATOM 61 CB GLU A 296 -0.130 7.227 -6.848 1.00 0.00 C ATOM 62 CG GLU A 296 0.533 8.550 -6.505 1.00 0.00 C ATOM 63 CD GLU A 296 -0.434 9.717 -6.551 1.00 0.00 C ATOM 64 OE1 GLU A 296 -0.606 10.303 -7.641 1.00 0.00 O ATOM 65 OE2 GLU A 296 -1.021 10.043 -5.498 1.00 0.00 O ATOM 0 H GLU A 296 -0.866 4.911 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 296 1.587 6.299 -7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -0.661 7.332 -7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -0.876 6.997 -6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 296 0.971 8.485 -5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 296 1.351 8.733 -7.202 1.00 0.00 H new ATOM 72 N ASP A 297 2.880 5.975 -5.610 1.00 0.00 N ATOM 73 CA ASP A 297 3.654 5.788 -4.384 1.00 0.00 C ATOM 74 C ASP A 297 3.463 6.967 -3.430 1.00 0.00 C ATOM 75 O ASP A 297 4.426 7.486 -2.869 1.00 0.00 O ATOM 76 CB ASP A 297 5.142 5.618 -4.700 1.00 0.00 C ATOM 77 CG ASP A 297 5.384 4.965 -6.045 1.00 0.00 C ATOM 78 OD1 ASP A 297 5.471 5.701 -7.051 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.491 3.720 -6.092 1.00 0.00 O ATOM 0 H ASP A 297 3.437 6.216 -6.430 1.00 0.00 H new ATOM 0 HA ASP A 297 3.289 4.882 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.627 6.594 -4.682 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.608 5.017 -3.920 1.00 0.00 H new ATOM 84 N GLU A 298 2.214 7.386 -3.263 1.00 0.00 N ATOM 85 CA GLU A 298 1.877 8.489 -2.376 1.00 0.00 C ATOM 86 C GLU A 298 0.563 8.199 -1.659 1.00 0.00 C ATOM 87 O GLU A 298 -0.505 8.233 -2.270 1.00 0.00 O ATOM 88 CB GLU A 298 1.766 9.796 -3.156 1.00 0.00 C ATOM 89 CG GLU A 298 2.995 10.118 -3.991 1.00 0.00 C ATOM 90 CD GLU A 298 2.867 11.433 -4.735 1.00 0.00 C ATOM 91 OE1 GLU A 298 3.109 12.490 -4.117 1.00 0.00 O ATOM 92 OE2 GLU A 298 2.525 11.404 -5.936 1.00 0.00 O ATOM 0 H GLU A 298 1.411 6.972 -3.737 1.00 0.00 H new ATOM 0 HA GLU A 298 2.673 8.593 -1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 298 0.896 9.745 -3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 298 1.590 10.612 -2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 298 3.870 10.155 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 298 3.163 9.314 -4.708 1.00 0.00 H new ATOM 99 N CYS A 299 0.655 7.902 -0.365 1.00 0.00 N ATOM 100 CA CYS A 299 -0.522 7.599 0.445 1.00 0.00 C ATOM 101 C CYS A 299 -1.638 8.605 0.182 1.00 0.00 C ATOM 102 O CYS A 299 -1.553 9.767 0.586 1.00 0.00 O ATOM 103 CB CYS A 299 -0.143 7.601 1.917 1.00 0.00 C ATOM 104 SG CYS A 299 -1.543 7.771 3.065 1.00 0.00 S ATOM 0 H CYS A 299 1.537 7.865 0.147 1.00 0.00 H new ATOM 0 HA CYS A 299 -0.890 6.611 0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.384 6.674 2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.557 8.417 2.096 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.235 8.618 4.002 1.00 0.00 H new ATOM 109 N ALA A 300 -2.695 8.136 -0.477 1.00 0.00 N ATOM 110 CA ALA A 300 -3.825 8.988 -0.840 1.00 0.00 C ATOM 111 C ALA A 300 -4.613 9.500 0.368 1.00 0.00 C ATOM 112 O ALA A 300 -5.685 10.082 0.198 1.00 0.00 O ATOM 113 CB ALA A 300 -4.752 8.248 -1.796 1.00 0.00 C ATOM 0 H ALA A 300 -2.793 7.164 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.406 9.867 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.591 8.892 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.204 7.978 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.126 7.345 -1.314 1.00 0.00 H new ATOM 119 N VAL A 301 -4.103 9.297 1.582 1.00 0.00 N ATOM 120 CA VAL A 301 -4.809 9.771 2.770 1.00 0.00 C ATOM 121 C VAL A 301 -4.073 10.919 3.464 1.00 0.00 C ATOM 122 O VAL A 301 -4.711 11.811 4.024 1.00 0.00 O ATOM 123 CB VAL A 301 -5.065 8.638 3.796 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.770 7.284 3.183 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.265 8.850 5.072 1.00 0.00 C ATOM 0 H VAL A 301 -3.222 8.818 1.767 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.769 10.138 2.407 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.120 8.666 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -4.956 6.503 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.415 7.128 2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.727 7.246 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.469 8.037 5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.201 8.867 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.551 9.798 5.527 1.00 0.00 H new ATOM 135 N CYS A 302 -2.738 10.908 3.433 1.00 0.00 N ATOM 136 CA CYS A 302 -1.976 11.959 4.107 1.00 0.00 C ATOM 137 C CYS A 302 -0.810 12.468 3.259 1.00 0.00 C ATOM 138 O CYS A 302 0.065 13.179 3.755 1.00 0.00 O ATOM 139 CB CYS A 302 -1.487 11.469 5.479 1.00 0.00 C ATOM 140 SG CYS A 302 -0.034 10.366 5.436 1.00 0.00 S ATOM 0 H CYS A 302 -2.175 10.201 2.960 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.648 12.805 4.254 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.246 12.337 6.093 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.306 10.946 5.973 1.00 0.00 H new ATOM 0 HG CYS A 302 1.018 11.018 5.835 1.00 0.00 H new ATOM 145 N ARG A 303 -0.813 12.106 1.980 1.00 0.00 N ATOM 146 CA ARG A 303 0.220 12.546 1.039 1.00 0.00 C ATOM 147 C ARG A 303 1.639 12.342 1.575 1.00 0.00 C ATOM 148 O ARG A 303 2.530 13.143 1.292 1.00 0.00 O ATOM 149 CB ARG A 303 0.014 14.024 0.696 1.00 0.00 C ATOM 150 CG ARG A 303 -1.390 14.356 0.219 1.00 0.00 C ATOM 151 CD ARG A 303 -1.684 13.710 -1.120 1.00 0.00 C ATOM 152 NE ARG A 303 -3.090 13.841 -1.496 1.00 0.00 N ATOM 153 CZ ARG A 303 -3.516 13.918 -2.754 1.00 0.00 C ATOM 154 NH1 ARG A 303 -2.646 13.882 -3.755 1.00 0.00 N ATOM 155 NH2 ARG A 303 -4.811 14.033 -3.011 1.00 0.00 N ATOM 0 H ARG A 303 -1.524 11.504 1.566 1.00 0.00 H new ATOM 0 HA ARG A 303 0.118 11.929 0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 303 0.240 14.626 1.576 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.727 14.310 -0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.117 14.016 0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.502 15.437 0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -1.060 14.167 -1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -1.417 12.654 -1.079 1.00 0.00 H new ATOM 0 HE ARG A 303 -3.785 13.875 -0.751 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -1.648 13.795 -3.561 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -2.975 13.941 -4.719 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -5.483 14.063 -2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -5.136 14.092 -3.976 1.00 0.00 H new ATOM 169 N ASP A 304 1.853 11.277 2.343 1.00 0.00 N ATOM 170 CA ASP A 304 3.180 10.997 2.888 1.00 0.00 C ATOM 171 C ASP A 304 3.749 9.708 2.303 1.00 0.00 C ATOM 172 O ASP A 304 3.063 8.990 1.574 1.00 0.00 O ATOM 173 CB ASP A 304 3.139 10.909 4.413 1.00 0.00 C ATOM 174 CG ASP A 304 3.003 12.270 5.068 1.00 0.00 C ATOM 175 OD1 ASP A 304 4.001 13.022 5.087 1.00 0.00 O ATOM 176 OD2 ASP A 304 1.902 12.585 5.564 1.00 0.00 O ATOM 0 H ASP A 304 1.135 10.600 2.600 1.00 0.00 H new ATOM 0 HA ASP A 304 3.833 11.823 2.607 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.303 10.278 4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 304 4.048 10.426 4.771 1.00 0.00 H new ATOM 181 N GLY A 305 5.008 9.422 2.627 1.00 0.00 N ATOM 182 CA GLY A 305 5.653 8.226 2.117 1.00 0.00 C ATOM 183 C GLY A 305 5.883 7.175 3.183 1.00 0.00 C ATOM 184 O GLY A 305 5.648 7.413 4.367 1.00 0.00 O ATOM 0 H GLY A 305 5.592 9.998 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 305 5.040 7.801 1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.610 8.498 1.671 1.00 0.00 H new ATOM 188 N GLY A 306 6.364 6.014 2.751 1.00 0.00 N ATOM 189 CA GLY A 306 6.614 4.911 3.660 1.00 0.00 C ATOM 190 C GLY A 306 5.997 3.628 3.143 1.00 0.00 C ATOM 191 O GLY A 306 5.770 3.491 1.941 1.00 0.00 O ATOM 0 H GLY A 306 6.587 5.816 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.688 4.776 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.204 5.145 4.642 1.00 0.00 H new ATOM 195 N GLU A 307 5.721 2.683 4.034 1.00 0.00 N ATOM 196 CA GLU A 307 5.110 1.430 3.625 1.00 0.00 C ATOM 197 C GLU A 307 3.623 1.639 3.373 1.00 0.00 C ATOM 198 O GLU A 307 2.864 1.930 4.297 1.00 0.00 O ATOM 199 CB GLU A 307 5.325 0.361 4.695 1.00 0.00 C ATOM 200 CG GLU A 307 4.779 -1.006 4.317 1.00 0.00 C ATOM 201 CD GLU A 307 5.417 -1.563 3.059 1.00 0.00 C ATOM 202 OE1 GLU A 307 6.532 -2.118 3.154 1.00 0.00 O ATOM 203 OE2 GLU A 307 4.802 -1.443 1.979 1.00 0.00 O ATOM 0 H GLU A 307 5.909 2.761 5.033 1.00 0.00 H new ATOM 0 HA GLU A 307 5.580 1.091 2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.392 0.272 4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.852 0.687 5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.945 -1.700 5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 307 3.701 -0.935 4.172 1.00 0.00 H new ATOM 210 N LEU A 308 3.213 1.491 2.118 1.00 0.00 N ATOM 211 CA LEU A 308 1.817 1.683 1.751 1.00 0.00 C ATOM 212 C LEU A 308 1.242 0.435 1.093 1.00 0.00 C ATOM 213 O LEU A 308 1.982 -0.413 0.603 1.00 0.00 O ATOM 214 CB LEU A 308 1.674 2.869 0.796 1.00 0.00 C ATOM 215 CG LEU A 308 2.763 3.934 0.888 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.739 4.815 -0.351 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.567 4.770 2.137 1.00 0.00 C ATOM 0 H LEU A 308 3.825 1.240 1.342 1.00 0.00 H new ATOM 0 HA LEU A 308 1.261 1.883 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.651 2.488 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.711 3.345 0.980 1.00 0.00 H new ATOM 0 HG LEU A 308 3.735 3.444 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.520 5.571 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.912 4.203 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.768 5.303 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.349 5.527 2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.592 5.257 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.619 4.128 3.016 1.00 0.00 H new ATOM 229 N ILE A 309 -0.082 0.344 1.081 1.00 0.00 N ATOM 230 CA ILE A 309 -0.780 -0.785 0.482 1.00 0.00 C ATOM 231 C ILE A 309 -1.605 -0.339 -0.716 1.00 0.00 C ATOM 232 O ILE A 309 -2.663 0.272 -0.569 1.00 0.00 O ATOM 233 CB ILE A 309 -1.702 -1.483 1.497 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.524 -2.578 0.814 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.612 -0.469 2.161 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.315 -3.427 1.783 1.00 0.00 C ATOM 0 H ILE A 309 -0.700 1.048 1.485 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.018 -1.493 0.156 1.00 0.00 H new ATOM 0 HB ILE A 309 -1.084 -1.950 2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -3.209 -2.117 0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.855 -3.221 0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -3.260 -0.975 2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -2.009 0.276 2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.223 0.023 1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.874 -4.183 1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.633 -3.916 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -4.009 -2.795 2.338 1.00 0.00 H new ATOM 248 N CYS A 310 -1.115 -0.652 -1.903 1.00 0.00 N ATOM 249 CA CYS A 310 -1.801 -0.284 -3.127 1.00 0.00 C ATOM 250 C CYS A 310 -3.170 -0.946 -3.199 1.00 0.00 C ATOM 251 O CYS A 310 -3.383 -2.021 -2.638 1.00 0.00 O ATOM 252 CB CYS A 310 -0.970 -0.701 -4.328 1.00 0.00 C ATOM 253 SG CYS A 310 0.772 -0.232 -4.224 1.00 0.00 S ATOM 0 H CYS A 310 -0.243 -1.161 -2.044 1.00 0.00 H new ATOM 0 HA CYS A 310 -1.937 0.798 -3.133 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -1.037 -1.783 -4.444 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -1.401 -0.257 -5.225 1.00 0.00 H new ATOM 0 HG CYS A 310 1.446 -1.189 -3.658 1.00 0.00 H new ATOM 259 N CYS A 311 -4.090 -0.296 -3.895 1.00 0.00 N ATOM 260 CA CYS A 311 -5.443 -0.807 -4.050 1.00 0.00 C ATOM 261 C CYS A 311 -5.601 -1.521 -5.388 1.00 0.00 C ATOM 262 O CYS A 311 -5.377 -0.938 -6.447 1.00 0.00 O ATOM 263 CB CYS A 311 -6.446 0.344 -3.938 1.00 0.00 C ATOM 264 SG CYS A 311 -8.179 -0.144 -4.198 1.00 0.00 S ATOM 0 H CYS A 311 -3.922 0.594 -4.365 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.638 -1.529 -3.257 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.353 0.797 -2.951 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -6.184 1.111 -4.667 1.00 0.00 H new ATOM 0 HG CYS A 311 -8.965 0.793 -3.756 1.00 0.00 H new ATOM 269 N ASP A 312 -5.980 -2.793 -5.332 1.00 0.00 N ATOM 270 CA ASP A 312 -6.170 -3.589 -6.539 1.00 0.00 C ATOM 271 C ASP A 312 -7.267 -2.994 -7.415 1.00 0.00 C ATOM 272 O ASP A 312 -7.384 -3.328 -8.593 1.00 0.00 O ATOM 273 CB ASP A 312 -6.521 -5.033 -6.173 1.00 0.00 C ATOM 274 CG ASP A 312 -6.640 -5.927 -7.393 1.00 0.00 C ATOM 275 OD1 ASP A 312 -5.615 -6.512 -7.801 1.00 0.00 O ATOM 276 OD2 ASP A 312 -7.756 -6.037 -7.941 1.00 0.00 O ATOM 0 H ASP A 312 -6.162 -3.295 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 312 -5.236 -3.581 -7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -5.756 -5.432 -5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -7.462 -5.047 -5.623 1.00 0.00 H new ATOM 281 N GLY A 313 -8.068 -2.109 -6.827 1.00 0.00 N ATOM 282 CA GLY A 313 -9.146 -1.477 -7.565 1.00 0.00 C ATOM 283 C GLY A 313 -8.718 -0.177 -8.218 1.00 0.00 C ATOM 284 O GLY A 313 -9.046 0.079 -9.378 1.00 0.00 O ATOM 0 H GLY A 313 -7.989 -1.819 -5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -9.508 -2.163 -8.331 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -9.980 -1.284 -6.890 1.00 0.00 H new ATOM 288 N CYS A 314 -7.983 0.646 -7.475 1.00 0.00 N ATOM 289 CA CYS A 314 -7.512 1.926 -7.992 1.00 0.00 C ATOM 290 C CYS A 314 -6.054 2.173 -7.598 1.00 0.00 C ATOM 291 O CYS A 314 -5.537 1.526 -6.692 1.00 0.00 O ATOM 292 CB CYS A 314 -8.399 3.063 -7.479 1.00 0.00 C ATOM 293 SG CYS A 314 -8.290 3.343 -5.682 1.00 0.00 S ATOM 0 H CYS A 314 -7.701 0.449 -6.515 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.570 1.895 -9.080 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -8.126 3.983 -7.996 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -9.435 2.846 -7.739 1.00 0.00 H new ATOM 0 HG CYS A 314 -8.247 2.199 -5.066 1.00 0.00 H new ATOM 298 N PRO A 315 -5.374 3.107 -8.294 1.00 0.00 N ATOM 299 CA PRO A 315 -3.964 3.446 -8.028 1.00 0.00 C ATOM 300 C PRO A 315 -3.745 4.215 -6.721 1.00 0.00 C ATOM 301 O PRO A 315 -3.159 5.298 -6.728 1.00 0.00 O ATOM 302 CB PRO A 315 -3.574 4.345 -9.214 1.00 0.00 C ATOM 303 CG PRO A 315 -4.681 4.219 -10.206 1.00 0.00 C ATOM 304 CD PRO A 315 -5.911 3.885 -9.417 1.00 0.00 C ATOM 0 HA PRO A 315 -3.370 2.538 -7.924 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.451 5.380 -8.895 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.624 4.030 -9.647 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -4.814 5.148 -10.761 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -4.463 3.440 -10.936 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.430 4.781 -9.077 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.625 3.308 -10.005 1.00 0.00 H new ATOM 312 N ARG A 316 -4.190 3.653 -5.599 1.00 0.00 N ATOM 313 CA ARG A 316 -4.022 4.311 -4.307 1.00 0.00 C ATOM 314 C ARG A 316 -3.451 3.372 -3.257 1.00 0.00 C ATOM 315 O ARG A 316 -4.005 2.308 -2.988 1.00 0.00 O ATOM 316 CB ARG A 316 -5.348 4.865 -3.795 1.00 0.00 C ATOM 317 CG ARG A 316 -5.767 6.168 -4.440 1.00 0.00 C ATOM 318 CD ARG A 316 -6.997 6.725 -3.749 1.00 0.00 C ATOM 319 NE ARG A 316 -8.234 6.176 -4.299 1.00 0.00 N ATOM 320 CZ ARG A 316 -9.224 6.923 -4.781 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.125 8.245 -4.778 1.00 0.00 N ATOM 322 NH2 ARG A 316 -10.315 6.345 -5.266 1.00 0.00 N ATOM 0 H ARG A 316 -4.665 2.751 -5.559 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.318 5.127 -4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -6.128 4.122 -3.963 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.275 5.013 -2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -4.951 6.889 -4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.977 6.007 -5.497 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -6.945 6.503 -2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -7.007 7.810 -3.848 1.00 0.00 H new ATOM 0 HE ARG A 316 -8.345 5.162 -4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -8.288 8.693 -4.405 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -9.886 8.814 -5.148 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -10.395 5.328 -5.269 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -11.074 6.917 -5.636 1.00 0.00 H new ATOM 336 N ALA A 317 -2.343 3.786 -2.663 1.00 0.00 N ATOM 337 CA ALA A 317 -1.693 3.015 -1.618 1.00 0.00 C ATOM 338 C ALA A 317 -2.003 3.657 -0.255 1.00 0.00 C ATOM 339 O ALA A 317 -2.078 4.883 -0.158 1.00 0.00 O ATOM 340 CB ALA A 317 -0.198 2.972 -1.876 1.00 0.00 C ATOM 0 H ALA A 317 -1.872 4.661 -2.891 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.067 1.991 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.290 2.393 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.009 2.505 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 317 0.200 3.987 -1.879 1.00 0.00 H new ATOM 346 N PHE A 318 -2.195 2.848 0.789 1.00 0.00 N ATOM 347 CA PHE A 318 -2.522 3.391 2.118 1.00 0.00 C ATOM 348 C PHE A 318 -1.494 2.996 3.190 1.00 0.00 C ATOM 349 O PHE A 318 -0.893 1.929 3.132 1.00 0.00 O ATOM 350 CB PHE A 318 -3.925 2.927 2.538 1.00 0.00 C ATOM 351 CG PHE A 318 -5.039 3.557 1.757 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.180 3.300 0.411 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.950 4.397 2.375 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.206 3.866 -0.311 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.981 4.970 1.657 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.110 4.704 0.310 1.00 0.00 C ATOM 0 H PHE A 318 -2.132 1.831 0.747 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.496 4.478 2.038 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.986 1.844 2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -4.067 3.148 3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.477 2.646 -0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.853 4.606 3.430 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.304 3.654 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.685 5.625 2.149 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.915 5.149 -0.256 1.00 0.00 H new ATOM 366 N HIS A 319 -1.315 3.870 4.182 1.00 0.00 N ATOM 367 CA HIS A 319 -0.363 3.633 5.276 1.00 0.00 C ATOM 368 C HIS A 319 -0.895 2.638 6.299 1.00 0.00 C ATOM 369 O HIS A 319 -0.617 2.778 7.490 1.00 0.00 O ATOM 370 CB HIS A 319 -0.069 4.934 6.015 1.00 0.00 C ATOM 371 CG HIS A 319 1.135 5.675 5.559 1.00 0.00 C ATOM 372 ND1 HIS A 319 1.081 7.003 5.222 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.424 5.295 5.422 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.292 7.419 4.898 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.126 6.400 5.011 1.00 0.00 N ATOM 0 H HIS A 319 -1.819 4.754 4.253 1.00 0.00 H new ATOM 0 HA HIS A 319 0.538 3.228 4.815 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -0.935 5.589 5.918 1.00 0.00 H new ATOM 0 HB3 HIS A 319 0.044 4.710 7.076 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.826 4.309 5.602 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.556 8.421 4.593 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.128 6.430 4.823 1.00 0.00 H new ATOM 383 N LEU A 320 -1.663 1.652 5.855 1.00 0.00 N ATOM 384 CA LEU A 320 -2.215 0.654 6.767 1.00 0.00 C ATOM 385 C LEU A 320 -3.183 1.303 7.748 1.00 0.00 C ATOM 386 O LEU A 320 -4.398 1.211 7.594 1.00 0.00 O ATOM 387 CB LEU A 320 -1.093 -0.036 7.541 1.00 0.00 C ATOM 388 CG LEU A 320 -0.005 -0.706 6.697 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.417 -2.008 7.330 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.483 -0.944 5.278 1.00 0.00 C ATOM 0 H LEU A 320 -1.918 1.520 4.876 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.752 -0.087 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.619 0.702 8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.538 -0.791 8.190 1.00 0.00 H new ATOM 0 HG LEU A 320 0.853 -0.035 6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.191 -2.475 6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.808 -1.817 8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.443 -2.675 7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.310 -1.421 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.360 -1.591 5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.744 0.009 4.817 1.00 0.00 H new ATOM 402 N ALA A 321 -2.623 1.958 8.760 1.00 0.00 N ATOM 403 CA ALA A 321 -3.414 2.639 9.771 1.00 0.00 C ATOM 404 C ALA A 321 -4.061 3.894 9.200 1.00 0.00 C ATOM 405 O ALA A 321 -4.983 4.453 9.794 1.00 0.00 O ATOM 406 CB ALA A 321 -2.541 2.983 10.966 1.00 0.00 C ATOM 0 H ALA A 321 -1.615 2.030 8.899 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.211 1.971 10.097 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.141 3.493 11.720 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.127 2.068 11.390 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.728 3.635 10.647 1.00 0.00 H new ATOM 412 N CYS A 322 -3.572 4.334 8.042 1.00 0.00 N ATOM 413 CA CYS A 322 -4.127 5.527 7.390 1.00 0.00 C ATOM 414 C CYS A 322 -5.479 5.198 6.774 1.00 0.00 C ATOM 415 O CYS A 322 -6.162 6.062 6.224 1.00 0.00 O ATOM 416 CB CYS A 322 -3.181 6.065 6.311 1.00 0.00 C ATOM 417 SG CYS A 322 -2.052 7.386 6.895 1.00 0.00 S ATOM 0 H CYS A 322 -2.803 3.892 7.538 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.249 6.300 8.149 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.586 5.240 5.921 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.775 6.450 5.482 1.00 0.00 H new ATOM 0 HG CYS A 322 -0.964 7.374 6.183 1.00 0.00 H new ATOM 422 N LEU A 323 -5.845 3.929 6.878 1.00 0.00 N ATOM 423 CA LEU A 323 -7.106 3.429 6.352 1.00 0.00 C ATOM 424 C LEU A 323 -8.227 3.604 7.361 1.00 0.00 C ATOM 425 O LEU A 323 -7.963 3.770 8.552 1.00 0.00 O ATOM 426 CB LEU A 323 -6.965 1.940 6.047 1.00 0.00 C ATOM 427 CG LEU A 323 -6.426 1.602 4.678 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.833 0.204 4.678 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.540 1.718 3.662 1.00 0.00 C ATOM 0 H LEU A 323 -5.274 3.215 7.331 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.347 3.993 5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.310 1.495 6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.942 1.471 6.159 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.633 2.301 4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.448 -0.028 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -5.021 0.153 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.604 -0.518 4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.156 1.475 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.342 1.026 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.927 2.737 3.661 1.00 0.00 H new ATOM 441 N SER A 324 -9.478 3.582 6.895 1.00 0.00 N ATOM 442 CA SER A 324 -10.594 3.677 7.826 1.00 0.00 C ATOM 443 C SER A 324 -10.388 2.568 8.854 1.00 0.00 C ATOM 444 O SER A 324 -10.373 2.828 10.058 1.00 0.00 O ATOM 445 CB SER A 324 -11.952 3.578 7.118 1.00 0.00 C ATOM 446 OG SER A 324 -12.241 4.767 6.404 1.00 0.00 O ATOM 0 H SER A 324 -9.735 3.502 5.911 1.00 0.00 H new ATOM 0 HA SER A 324 -10.613 4.652 8.312 1.00 0.00 H new ATOM 0 HB2 SER A 324 -11.948 2.730 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 324 -12.736 3.391 7.852 1.00 0.00 H new ATOM 0 HG SER A 324 -13.110 4.679 5.960 1.00 0.00 H new ATOM 452 N PRO A 325 -10.224 1.307 8.390 1.00 0.00 N ATOM 453 CA PRO A 325 -9.898 0.192 9.242 1.00 0.00 C ATOM 454 C PRO A 325 -8.409 -0.097 9.084 1.00 0.00 C ATOM 455 O PRO A 325 -7.937 -0.331 7.970 1.00 0.00 O ATOM 456 CB PRO A 325 -10.747 -0.925 8.663 1.00 0.00 C ATOM 457 CG PRO A 325 -10.888 -0.599 7.203 1.00 0.00 C ATOM 458 CD PRO A 325 -10.402 0.824 7.010 1.00 0.00 C ATOM 0 HA PRO A 325 -10.086 0.342 10.305 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.271 -1.895 8.805 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.720 -0.973 9.151 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.303 -1.290 6.597 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -11.926 -0.697 6.886 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.469 0.858 6.448 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.127 1.427 6.462 1.00 0.00 H new ATOM 466 N PRO A 326 -7.641 -0.093 10.172 1.00 0.00 N ATOM 467 CA PRO A 326 -6.200 -0.278 10.092 1.00 0.00 C ATOM 468 C PRO A 326 -5.775 -1.722 9.929 1.00 0.00 C ATOM 469 O PRO A 326 -6.275 -2.624 10.601 1.00 0.00 O ATOM 470 CB PRO A 326 -5.721 0.292 11.407 1.00 0.00 C ATOM 471 CG PRO A 326 -6.815 -0.031 12.357 1.00 0.00 C ATOM 472 CD PRO A 326 -8.100 0.030 11.564 1.00 0.00 C ATOM 0 HA PRO A 326 -5.777 0.206 9.212 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -4.777 -0.157 11.717 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.555 1.367 11.339 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.673 -1.021 12.791 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.834 0.680 13.183 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.780 -0.777 11.837 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.633 0.966 11.731 1.00 0.00 H new ATOM 480 N LEU A 327 -4.839 -1.913 9.017 1.00 0.00 N ATOM 481 CA LEU A 327 -4.304 -3.225 8.713 1.00 0.00 C ATOM 482 C LEU A 327 -3.198 -3.608 9.681 1.00 0.00 C ATOM 483 O LEU A 327 -2.017 -3.522 9.342 1.00 0.00 O ATOM 484 CB LEU A 327 -3.759 -3.235 7.293 1.00 0.00 C ATOM 485 CG LEU A 327 -4.666 -2.582 6.268 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.980 -2.493 4.927 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.952 -3.359 6.153 1.00 0.00 C ATOM 0 H LEU A 327 -4.428 -1.160 8.466 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.110 -3.952 8.810 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.795 -2.726 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.577 -4.267 6.994 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.894 -1.569 6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.649 -2.021 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -3.071 -1.898 5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.724 -3.495 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.599 -2.885 5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.733 -4.380 5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.455 -3.375 7.120 1.00 0.00 H new ATOM 499 N ARG A 328 -3.575 -4.013 10.891 1.00 0.00 N ATOM 500 CA ARG A 328 -2.591 -4.439 11.879 1.00 0.00 C ATOM 501 C ARG A 328 -1.658 -5.442 11.228 1.00 0.00 C ATOM 502 O ARG A 328 -0.508 -5.614 11.630 1.00 0.00 O ATOM 503 CB ARG A 328 -3.278 -5.090 13.080 1.00 0.00 C ATOM 504 CG ARG A 328 -3.906 -4.111 14.053 1.00 0.00 C ATOM 505 CD ARG A 328 -4.984 -3.259 13.399 1.00 0.00 C ATOM 506 NE ARG A 328 -5.641 -2.381 14.364 1.00 0.00 N ATOM 507 CZ ARG A 328 -6.919 -2.498 14.716 1.00 0.00 C ATOM 508 NH1 ARG A 328 -7.673 -3.452 14.189 1.00 0.00 N ATOM 509 NH2 ARG A 328 -7.442 -1.658 15.598 1.00 0.00 N ATOM 0 H ARG A 328 -4.544 -4.055 11.208 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.035 -3.570 12.230 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.051 -5.768 12.717 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -2.548 -5.697 13.615 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -4.338 -4.660 14.890 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -3.132 -3.462 14.463 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -4.541 -2.659 12.604 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -5.726 -3.907 12.933 1.00 0.00 H new ATOM 0 HE ARG A 328 -5.090 -1.637 14.792 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -7.274 -4.101 13.510 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -8.652 -3.538 14.462 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -6.865 -0.923 16.006 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -8.421 -1.747 15.868 1.00 0.00 H new ATOM 523 N GLU A 329 -2.192 -6.089 10.199 1.00 0.00 N ATOM 524 CA GLU A 329 -1.473 -7.087 9.425 1.00 0.00 C ATOM 525 C GLU A 329 -2.004 -7.092 8.001 1.00 0.00 C ATOM 526 O GLU A 329 -3.162 -7.427 7.756 1.00 0.00 O ATOM 527 CB GLU A 329 -1.626 -8.478 10.047 1.00 0.00 C ATOM 528 CG GLU A 329 -1.056 -8.589 11.449 1.00 0.00 C ATOM 529 CD GLU A 329 0.461 -8.655 11.461 1.00 0.00 C ATOM 530 OE1 GLU A 329 1.007 -9.756 11.244 1.00 0.00 O ATOM 531 OE2 GLU A 329 1.101 -7.608 11.687 1.00 0.00 O ATOM 0 H GLU A 329 -3.147 -5.932 9.877 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.413 -6.834 9.423 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -2.684 -8.739 10.073 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -1.133 -9.209 9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -1.383 -7.733 12.039 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -1.458 -9.480 11.931 1.00 0.00 H new ATOM 538 N ILE A 330 -1.142 -6.708 7.074 1.00 0.00 N ATOM 539 CA ILE A 330 -1.490 -6.625 5.669 1.00 0.00 C ATOM 540 C ILE A 330 -2.301 -7.824 5.161 1.00 0.00 C ATOM 541 O ILE A 330 -2.008 -8.975 5.479 1.00 0.00 O ATOM 542 CB ILE A 330 -0.216 -6.441 4.817 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.306 -5.011 4.981 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.484 -6.745 3.354 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.746 -3.970 4.719 1.00 0.00 C ATOM 0 H ILE A 330 -0.178 -6.444 7.278 1.00 0.00 H new ATOM 0 HA ILE A 330 -2.139 -5.755 5.565 1.00 0.00 H new ATOM 0 HB ILE A 330 0.540 -7.144 5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.691 -4.884 5.993 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.142 -4.855 4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.432 -6.606 2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.823 -7.776 3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.254 -6.071 2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 330 -0.316 -2.977 4.851 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -1.114 -4.073 3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.572 -4.103 5.418 1.00 0.00 H new ATOM 557 N PRO A 331 -3.344 -7.530 4.352 1.00 0.00 N ATOM 558 CA PRO A 331 -4.233 -8.541 3.754 1.00 0.00 C ATOM 559 C PRO A 331 -3.467 -9.617 2.988 1.00 0.00 C ATOM 560 O PRO A 331 -2.388 -9.360 2.452 1.00 0.00 O ATOM 561 CB PRO A 331 -5.095 -7.731 2.790 1.00 0.00 C ATOM 562 CG PRO A 331 -5.078 -6.353 3.340 1.00 0.00 C ATOM 563 CD PRO A 331 -3.737 -6.166 3.965 1.00 0.00 C ATOM 0 HA PRO A 331 -4.799 -9.078 4.516 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.691 -7.759 1.778 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -6.110 -8.125 2.739 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -5.245 -5.618 2.552 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.871 -6.218 4.075 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -3.026 -5.727 3.265 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.786 -5.502 4.828 1.00 0.00 H new ATOM 571 N SER A 332 -4.045 -10.813 2.911 1.00 0.00 N ATOM 572 CA SER A 332 -3.406 -11.927 2.216 1.00 0.00 C ATOM 573 C SER A 332 -3.850 -11.991 0.761 1.00 0.00 C ATOM 574 O SER A 332 -4.912 -12.529 0.450 1.00 0.00 O ATOM 575 CB SER A 332 -3.722 -13.243 2.919 1.00 0.00 C ATOM 576 OG SER A 332 -3.389 -14.352 2.103 1.00 0.00 O ATOM 0 H SER A 332 -4.952 -11.035 3.320 1.00 0.00 H new ATOM 0 HA SER A 332 -2.329 -11.764 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 332 -3.169 -13.299 3.857 1.00 0.00 H new ATOM 0 HB3 SER A 332 -4.782 -13.279 3.171 1.00 0.00 H new ATOM 0 HG SER A 332 -3.600 -15.183 2.578 1.00 0.00 H new ATOM 582 N GLY A 333 -3.025 -11.442 -0.129 1.00 0.00 N ATOM 583 CA GLY A 333 -3.359 -11.437 -1.542 1.00 0.00 C ATOM 584 C GLY A 333 -4.535 -10.529 -1.839 1.00 0.00 C ATOM 585 O GLY A 333 -5.521 -10.543 -1.113 1.00 0.00 O ATOM 0 H GLY A 333 -2.134 -11.002 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -2.493 -11.111 -2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -3.593 -12.452 -1.864 1.00 0.00 H new ATOM 589 N THR A 334 -4.415 -9.717 -2.887 1.00 0.00 N ATOM 590 CA THR A 334 -5.478 -8.789 -3.282 1.00 0.00 C ATOM 591 C THR A 334 -5.916 -7.890 -2.122 1.00 0.00 C ATOM 592 O THR A 334 -5.630 -8.171 -0.959 1.00 0.00 O ATOM 593 CB THR A 334 -6.709 -9.537 -3.834 1.00 0.00 C ATOM 594 OG1 THR A 334 -7.375 -10.241 -2.780 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.300 -10.516 -4.925 1.00 0.00 C ATOM 0 H THR A 334 -3.588 -9.681 -3.483 1.00 0.00 H new ATOM 0 HA THR A 334 -5.056 -8.164 -4.069 1.00 0.00 H new ATOM 0 HB THR A 334 -7.390 -8.801 -4.261 1.00 0.00 H new ATOM 0 HG1 THR A 334 -6.798 -10.268 -1.989 1.00 0.00 H new ATOM 0 HG21 THR A 334 -7.183 -11.033 -5.300 1.00 0.00 H new ATOM 0 HG22 THR A 334 -5.823 -9.973 -5.741 1.00 0.00 H new ATOM 0 HG23 THR A 334 -5.600 -11.245 -4.516 1.00 0.00 H new ATOM 603 N TRP A 335 -6.623 -6.811 -2.456 1.00 0.00 N ATOM 604 CA TRP A 335 -7.108 -5.850 -1.464 1.00 0.00 C ATOM 605 C TRP A 335 -7.640 -4.598 -2.146 1.00 0.00 C ATOM 606 O TRP A 335 -7.153 -4.200 -3.201 1.00 0.00 O ATOM 607 CB TRP A 335 -6.001 -5.461 -0.480 1.00 0.00 C ATOM 608 CG TRP A 335 -6.404 -4.384 0.479 1.00 0.00 C ATOM 609 CD1 TRP A 335 -6.991 -4.553 1.700 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.250 -2.971 0.296 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.192 -3.333 2.296 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.751 -2.348 1.452 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.731 -2.170 -0.727 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.751 -0.971 1.615 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.735 -0.798 -0.565 1.00 0.00 C ATOM 616 CH2 TRP A 335 -6.239 -0.211 0.600 1.00 0.00 C ATOM 0 H TRP A 335 -6.875 -6.578 -3.417 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.915 -6.331 -0.911 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.700 -6.344 0.084 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.128 -5.128 -1.041 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.258 -5.506 2.133 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.603 -3.184 3.218 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.334 -2.616 -1.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -7.142 -0.515 2.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -5.343 -0.169 -1.350 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -6.224 0.864 0.700 1.00 0.00 H new ATOM 627 N ARG A 336 -8.646 -3.986 -1.537 1.00 0.00 N ATOM 628 CA ARG A 336 -9.241 -2.778 -2.079 1.00 0.00 C ATOM 629 C ARG A 336 -9.377 -1.710 -1.005 1.00 0.00 C ATOM 630 O ARG A 336 -9.383 -2.009 0.187 1.00 0.00 O ATOM 631 CB ARG A 336 -10.604 -3.104 -2.663 1.00 0.00 C ATOM 632 CG ARG A 336 -10.543 -4.112 -3.788 1.00 0.00 C ATOM 633 CD ARG A 336 -11.824 -4.083 -4.575 1.00 0.00 C ATOM 634 NE ARG A 336 -12.085 -5.346 -5.260 1.00 0.00 N ATOM 635 CZ ARG A 336 -12.346 -5.442 -6.560 1.00 0.00 C ATOM 636 NH1 ARG A 336 -12.376 -4.353 -7.317 1.00 0.00 N ATOM 637 NH2 ARG A 336 -12.575 -6.628 -7.106 1.00 0.00 N ATOM 0 H ARG A 336 -9.066 -4.309 -0.666 1.00 0.00 H new ATOM 0 HA ARG A 336 -8.590 -2.390 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.248 -3.489 -1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.064 -2.187 -3.030 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -9.700 -3.889 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.377 -5.111 -3.384 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -12.654 -3.858 -3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -11.779 -3.278 -5.308 1.00 0.00 H new ATOM 0 HE ARG A 336 -12.066 -6.204 -4.709 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -12.198 -3.438 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -12.577 -4.430 -8.314 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -12.551 -7.468 -6.529 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -12.775 -6.700 -8.104 1.00 0.00 H new ATOM 651 N CYS A 337 -9.501 -0.463 -1.440 1.00 0.00 N ATOM 652 CA CYS A 337 -9.637 0.654 -0.515 1.00 0.00 C ATOM 653 C CYS A 337 -11.098 0.830 -0.134 1.00 0.00 C ATOM 654 O CYS A 337 -11.977 0.341 -0.834 1.00 0.00 O ATOM 655 CB CYS A 337 -9.094 1.940 -1.136 1.00 0.00 C ATOM 656 SG CYS A 337 -10.135 2.616 -2.468 1.00 0.00 S ATOM 0 H CYS A 337 -9.510 -0.200 -2.425 1.00 0.00 H new ATOM 0 HA CYS A 337 -9.056 0.438 0.382 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.988 2.692 -0.354 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -8.096 1.748 -1.531 1.00 0.00 H new ATOM 0 HG CYS A 337 -9.406 2.830 -3.522 1.00 0.00 H new ATOM 661 N SER A 338 -11.354 1.528 0.967 1.00 0.00 N ATOM 662 CA SER A 338 -12.724 1.745 1.439 1.00 0.00 C ATOM 663 C SER A 338 -13.693 2.023 0.285 1.00 0.00 C ATOM 664 O SER A 338 -14.828 1.546 0.292 1.00 0.00 O ATOM 665 CB SER A 338 -12.766 2.901 2.436 1.00 0.00 C ATOM 666 OG SER A 338 -11.861 2.686 3.506 1.00 0.00 O ATOM 0 H SER A 338 -10.635 1.954 1.551 1.00 0.00 H new ATOM 0 HA SER A 338 -13.044 0.826 1.930 1.00 0.00 H new ATOM 0 HB2 SER A 338 -12.518 3.833 1.928 1.00 0.00 H new ATOM 0 HB3 SER A 338 -13.777 3.011 2.828 1.00 0.00 H new ATOM 0 HG SER A 338 -11.906 3.441 4.129 1.00 0.00 H new ATOM 672 N SER A 339 -13.239 2.789 -0.702 1.00 0.00 N ATOM 673 CA SER A 339 -14.068 3.136 -1.851 1.00 0.00 C ATOM 674 C SER A 339 -14.405 1.917 -2.713 1.00 0.00 C ATOM 675 O SER A 339 -15.568 1.520 -2.820 1.00 0.00 O ATOM 676 CB SER A 339 -13.361 4.186 -2.693 1.00 0.00 C ATOM 677 OG SER A 339 -14.136 4.550 -3.822 1.00 0.00 O ATOM 0 H SER A 339 -12.298 3.182 -0.729 1.00 0.00 H new ATOM 0 HA SER A 339 -15.009 3.534 -1.470 1.00 0.00 H new ATOM 0 HB2 SER A 339 -13.163 5.069 -2.085 1.00 0.00 H new ATOM 0 HB3 SER A 339 -12.395 3.802 -3.021 1.00 0.00 H new ATOM 0 HG SER A 339 -13.657 5.228 -4.343 1.00 0.00 H new ATOM 683 N CYS A 340 -13.382 1.320 -3.319 1.00 0.00 N ATOM 684 CA CYS A 340 -13.571 0.168 -4.180 1.00 0.00 C ATOM 685 C CYS A 340 -14.130 -1.003 -3.387 1.00 0.00 C ATOM 686 O CYS A 340 -14.604 -1.985 -3.954 1.00 0.00 O ATOM 687 CB CYS A 340 -12.245 -0.223 -4.832 1.00 0.00 C ATOM 688 SG CYS A 340 -11.402 1.142 -5.700 1.00 0.00 S ATOM 0 H CYS A 340 -12.412 1.621 -3.226 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.285 0.431 -4.960 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.578 -0.616 -4.064 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.427 -1.031 -5.541 1.00 0.00 H new ATOM 0 HG CYS A 340 -10.796 1.899 -4.834 1.00 0.00 H new ATOM 693 N LEU A 341 -14.067 -0.881 -2.068 1.00 0.00 N ATOM 694 CA LEU A 341 -14.555 -1.908 -1.165 1.00 0.00 C ATOM 695 C LEU A 341 -16.074 -1.912 -1.099 1.00 0.00 C ATOM 696 O LEU A 341 -16.714 -2.905 -1.446 1.00 0.00 O ATOM 697 CB LEU A 341 -13.967 -1.694 0.221 1.00 0.00 C ATOM 698 CG LEU A 341 -12.585 -2.304 0.442 1.00 0.00 C ATOM 699 CD1 LEU A 341 -12.021 -1.877 1.782 1.00 0.00 C ATOM 700 CD2 LEU A 341 -12.654 -3.814 0.341 1.00 0.00 C ATOM 0 H LEU A 341 -13.675 -0.066 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.238 -2.878 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -13.908 -0.622 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -14.653 -2.112 0.958 1.00 0.00 H new ATOM 0 HG LEU A 341 -11.915 -1.939 -0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -11.036 -2.322 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -11.936 -0.791 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -12.685 -2.211 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -11.661 -4.235 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -13.337 -4.198 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -13.013 -4.096 -0.649 1.00 0.00 H new ATOM 803 N ALA B 1 -2.799 -8.426 -0.822 1.00 0.00 N ATOM 804 CA ALA B 1 -2.891 -6.967 -0.546 1.00 0.00 C ATOM 805 C ALA B 1 -2.090 -6.142 -1.548 1.00 0.00 C ATOM 806 O ALA B 1 -2.579 -5.134 -2.060 1.00 0.00 O ATOM 807 CB ALA B 1 -2.405 -6.675 0.856 1.00 0.00 C ATOM 0 H1 ALA B 1 -3.715 -8.876 -0.622 1.00 0.00 H new ATOM 0 H2 ALA B 1 -2.551 -8.575 -1.821 1.00 0.00 H new ATOM 0 H3 ALA B 1 -2.066 -8.848 -0.217 1.00 0.00 H new ATOM 0 HA ALA B 1 -3.939 -6.682 -0.644 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -2.476 -5.605 1.050 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.021 -7.216 1.575 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -1.367 -6.994 0.955 1.00 0.00 H new ATOM 815 N ARG B 2 -0.860 -6.570 -1.819 1.00 0.00 N ATOM 816 CA ARG B 2 0.017 -5.859 -2.746 1.00 0.00 C ATOM 817 C ARG B 2 0.383 -4.486 -2.183 1.00 0.00 C ATOM 818 O ARG B 2 -0.056 -3.455 -2.699 1.00 0.00 O ATOM 819 CB ARG B 2 -0.647 -5.696 -4.118 1.00 0.00 C ATOM 820 CG ARG B 2 -1.318 -6.962 -4.630 1.00 0.00 C ATOM 821 CD ARG B 2 -1.981 -6.734 -5.979 1.00 0.00 C ATOM 822 NE ARG B 2 -1.024 -6.295 -6.990 1.00 0.00 N ATOM 823 CZ ARG B 2 -1.373 -5.850 -8.194 1.00 0.00 C ATOM 824 NH1 ARG B 2 -2.653 -5.782 -8.538 1.00 0.00 N ATOM 825 NH2 ARG B 2 -0.441 -5.470 -9.057 1.00 0.00 N ATOM 0 H ARG B 2 -0.447 -7.408 -1.409 1.00 0.00 H new ATOM 0 HA ARG B 2 0.924 -6.451 -2.869 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -1.390 -4.900 -4.059 1.00 0.00 H new ATOM 0 HB3 ARG B 2 0.105 -5.377 -4.840 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -0.578 -7.758 -4.717 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.063 -7.297 -3.909 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -2.459 -7.656 -6.309 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -2.767 -5.986 -5.875 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.031 -6.332 -6.760 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.375 -6.072 -7.878 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -2.915 -5.440 -9.463 1.00 0.00 H new ATOM 0 HH21 ARG B 2 0.544 -5.519 -8.798 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -0.709 -5.129 -9.980 1.00 0.00 H new ATOM 839 N THR B 3 1.181 -4.478 -1.118 1.00 0.00 N ATOM 840 CA THR B 3 1.594 -3.229 -0.491 1.00 0.00 C ATOM 841 C THR B 3 2.992 -2.819 -0.952 1.00 0.00 C ATOM 842 O THR B 3 3.966 -3.545 -0.751 1.00 0.00 O ATOM 843 CB THR B 3 1.559 -3.321 1.052 1.00 0.00 C ATOM 844 OG1 THR B 3 2.749 -3.955 1.538 1.00 0.00 O ATOM 845 CG2 THR B 3 0.344 -4.102 1.523 1.00 0.00 C ATOM 0 H THR B 3 1.552 -5.318 -0.674 1.00 0.00 H new ATOM 0 HA THR B 3 0.879 -2.468 -0.803 1.00 0.00 H new ATOM 0 HB THR B 3 1.499 -2.307 1.447 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.303 -4.236 0.780 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.343 -4.152 2.612 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.563 -3.604 1.182 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.379 -5.112 1.114 1.00 0.00 H new ATOM 853 N LYS B 4 3.072 -1.648 -1.578 1.00 0.00 N ATOM 854 CA LYS B 4 4.335 -1.121 -2.088 1.00 0.00 C ATOM 855 C LYS B 4 4.840 0.033 -1.222 1.00 0.00 C ATOM 856 O LYS B 4 4.109 0.987 -0.953 1.00 0.00 O ATOM 857 CB LYS B 4 4.148 -0.654 -3.536 1.00 0.00 C ATOM 858 CG LYS B 4 5.291 0.190 -4.082 1.00 0.00 C ATOM 859 CD LYS B 4 6.583 -0.604 -4.185 1.00 0.00 C ATOM 860 CE LYS B 4 7.584 0.085 -5.099 1.00 0.00 C ATOM 861 NZ LYS B 4 7.724 1.534 -4.785 1.00 0.00 N ATOM 0 H LYS B 4 2.269 -1.041 -1.745 1.00 0.00 H new ATOM 0 HA LYS B 4 5.081 -1.915 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS B 4 4.024 -1.530 -4.173 1.00 0.00 H new ATOM 0 HB3 LYS B 4 3.225 -0.078 -3.602 1.00 0.00 H new ATOM 0 HG2 LYS B 4 5.021 0.574 -5.066 1.00 0.00 H new ATOM 0 HG3 LYS B 4 5.446 1.053 -3.435 1.00 0.00 H new ATOM 0 HD2 LYS B 4 7.017 -0.726 -3.193 1.00 0.00 H new ATOM 0 HD3 LYS B 4 6.369 -1.603 -4.564 1.00 0.00 H new ATOM 0 HE2 LYS B 4 8.555 -0.401 -5.005 1.00 0.00 H new ATOM 0 HE3 LYS B 4 7.268 -0.032 -6.136 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 8.706 1.833 -4.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 7.084 2.084 -5.393 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 7.480 1.698 -3.787 1.00 0.00 H new ATOM 875 N GLN B 5 6.095 -0.063 -0.791 1.00 0.00 N ATOM 876 CA GLN B 5 6.707 0.971 0.036 1.00 0.00 C ATOM 877 C GLN B 5 7.163 2.146 -0.826 1.00 0.00 C ATOM 878 O GLN B 5 7.073 2.093 -2.052 1.00 0.00 O ATOM 879 CB GLN B 5 7.895 0.396 0.810 1.00 0.00 C ATOM 880 CG GLN B 5 8.970 -0.205 -0.082 1.00 0.00 C ATOM 881 CD GLN B 5 10.063 -0.904 0.705 1.00 0.00 C ATOM 882 OE1 GLN B 5 11.220 -0.936 0.287 1.00 0.00 O ATOM 883 NE2 GLN B 5 9.700 -1.474 1.850 1.00 0.00 N ATOM 0 H GLN B 5 6.709 -0.850 -1.002 1.00 0.00 H new ATOM 0 HA GLN B 5 5.962 1.329 0.747 1.00 0.00 H new ATOM 0 HB2 GLN B 5 8.338 1.185 1.417 1.00 0.00 H new ATOM 0 HB3 GLN B 5 7.534 -0.370 1.496 1.00 0.00 H new ATOM 0 HG2 GLN B 5 8.511 -0.917 -0.768 1.00 0.00 H new ATOM 0 HG3 GLN B 5 9.414 0.583 -0.690 1.00 0.00 H new ATOM 0 HE21 GLN B 5 8.729 -1.424 2.160 1.00 0.00 H new ATOM 0 HE22 GLN B 5 10.392 -1.962 2.419 1.00 0.00 H new ATOM 892 N THR B 6 7.654 3.201 -0.183 1.00 0.00 N ATOM 893 CA THR B 6 8.120 4.381 -0.904 1.00 0.00 C ATOM 894 C THR B 6 8.915 5.309 0.009 1.00 0.00 C ATOM 895 O THR B 6 8.694 5.346 1.219 1.00 0.00 O ATOM 896 CB THR B 6 6.944 5.164 -1.522 1.00 0.00 C ATOM 897 OG1 THR B 6 7.439 6.268 -2.291 1.00 0.00 O ATOM 898 CG2 THR B 6 6.006 5.678 -0.441 1.00 0.00 C ATOM 0 H THR B 6 7.739 3.263 0.832 1.00 0.00 H new ATOM 0 HA THR B 6 8.769 4.025 -1.704 1.00 0.00 H new ATOM 0 HB THR B 6 6.390 4.486 -2.171 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.687 6.816 -2.599 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.185 6.227 -0.902 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.607 4.836 0.125 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.553 6.340 0.230 1.00 0.00 H new