USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=19 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 -157:sc= 0.523 USER MOD Set 1.2: A 314 CYS SG : rot 132:sc= 1.05 USER MOD Set 1.3: A 337 CYS SG : rot 60:sc= 1.09 USER MOD Set 1.4: A 339 SER OG : rot 102:sc= -0.131 USER MOD Set 1.5: A 340 CYS SG : rot -2:sc= -6.73! USER MOD Set 2.1: A 299 CYS SG : rot -141:sc= -2.91! USER MOD Set 2.2: A 302 CYS SG : rot 87:sc= 0.847 USER MOD Set 2.3: A 319 HIS : no HD1:sc= -2.33! C(o=-8.2!,f=-12!) USER MOD Set 2.4: A 322 CYS SG : rot 148:sc= -3.78! USER MOD Single : A 295 ASN :FLIP amide:sc= -2.89! C(o=-4.4!,f=-2.9!) USER MOD Single : A 310 CYS SG : rot 180:sc= -2.16! USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc= 0.145 USER MOD Single : A 334 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 SER OG : rot 180:sc= -0.206 USER MOD Single : B 1 ALA N :NH3+ -121:sc= 0.838 (180deg=-1.27) USER MOD Single : B 3 THR OG1 : rot -10:sc= 0.543! USER MOD Single : B 4 LYS NZ :NH3+ -120:sc=-0.000641 (180deg=-0.106) USER MOD Single : B 5 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : B 6 THR OG1 : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 295 1.327 1.402 -8.725 1.00 0.00 N ATOM 44 CA ASN A 295 0.300 2.421 -8.531 1.00 0.00 C ATOM 45 C ASN A 295 0.928 3.721 -8.046 1.00 0.00 C ATOM 46 O ASN A 295 2.137 3.922 -8.173 1.00 0.00 O ATOM 47 CB ASN A 295 -0.742 1.936 -7.519 1.00 0.00 C ATOM 48 CG ASN A 295 -1.717 0.947 -8.127 1.00 0.00 C ATOM 49 OD1 ASN A 295 -2.182 0.002 -7.318 1.00 0.00 O flip ATOM 50 ND2 ASN A 295 -2.046 1.029 -9.309 1.00 0.00 N flip ATOM 0 HA ASN A 295 -0.192 2.603 -9.487 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -0.235 1.470 -6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -1.292 2.792 -7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -1.664 1.772 -9.894 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -2.701 0.354 -9.704 1.00 0.00 H new ATOM 57 N GLU A 296 0.109 4.608 -7.498 1.00 0.00 N ATOM 58 CA GLU A 296 0.607 5.872 -6.985 1.00 0.00 C ATOM 59 C GLU A 296 1.197 5.672 -5.594 1.00 0.00 C ATOM 60 O GLU A 296 0.471 5.378 -4.644 1.00 0.00 O ATOM 61 CB GLU A 296 -0.511 6.912 -6.937 1.00 0.00 C ATOM 62 CG GLU A 296 -0.015 8.315 -6.641 1.00 0.00 C ATOM 63 CD GLU A 296 0.837 8.881 -7.759 1.00 0.00 C ATOM 64 OE1 GLU A 296 2.062 8.635 -7.755 1.00 0.00 O ATOM 65 OE2 GLU A 296 0.281 9.572 -8.638 1.00 0.00 O ATOM 0 H GLU A 296 -0.897 4.475 -7.398 1.00 0.00 H new ATOM 0 HA GLU A 296 1.386 6.236 -7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -1.037 6.914 -7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -1.235 6.622 -6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -0.870 8.970 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 296 0.564 8.304 -5.718 1.00 0.00 H new ATOM 72 N ASP A 297 2.518 5.803 -5.484 1.00 0.00 N ATOM 73 CA ASP A 297 3.196 5.640 -4.200 1.00 0.00 C ATOM 74 C ASP A 297 2.976 6.860 -3.310 1.00 0.00 C ATOM 75 O ASP A 297 3.924 7.414 -2.751 1.00 0.00 O ATOM 76 CB ASP A 297 4.694 5.413 -4.410 1.00 0.00 C ATOM 77 CG ASP A 297 4.996 4.653 -5.686 1.00 0.00 C ATOM 78 OD1 ASP A 297 4.863 3.410 -5.683 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.370 5.301 -6.686 1.00 0.00 O ATOM 0 H ASP A 297 3.137 6.021 -6.265 1.00 0.00 H new ATOM 0 HA ASP A 297 2.771 4.767 -3.704 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.203 6.376 -4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.097 4.863 -3.560 1.00 0.00 H new ATOM 84 N GLU A 298 1.719 7.279 -3.191 1.00 0.00 N ATOM 85 CA GLU A 298 1.357 8.424 -2.367 1.00 0.00 C ATOM 86 C GLU A 298 0.110 8.108 -1.548 1.00 0.00 C ATOM 87 O GLU A 298 -0.983 7.961 -2.097 1.00 0.00 O ATOM 88 CB GLU A 298 1.109 9.656 -3.234 1.00 0.00 C ATOM 89 CG GLU A 298 2.212 9.929 -4.243 1.00 0.00 C ATOM 90 CD GLU A 298 2.010 11.233 -4.989 1.00 0.00 C ATOM 91 OE1 GLU A 298 1.347 11.216 -6.047 1.00 0.00 O ATOM 92 OE2 GLU A 298 2.514 12.272 -4.513 1.00 0.00 O ATOM 0 H GLU A 298 0.929 6.837 -3.660 1.00 0.00 H new ATOM 0 HA GLU A 298 2.186 8.635 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 298 0.166 9.530 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 298 0.997 10.527 -2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 298 3.172 9.954 -3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 298 2.256 9.108 -4.959 1.00 0.00 H new ATOM 99 N CYS A 299 0.285 8.000 -0.236 1.00 0.00 N ATOM 100 CA CYS A 299 -0.820 7.692 0.666 1.00 0.00 C ATOM 101 C CYS A 299 -2.025 8.595 0.407 1.00 0.00 C ATOM 102 O CYS A 299 -1.991 9.795 0.683 1.00 0.00 O ATOM 103 CB CYS A 299 -0.364 7.825 2.112 1.00 0.00 C ATOM 104 SG CYS A 299 -1.728 7.968 3.303 1.00 0.00 S ATOM 0 H CYS A 299 1.185 8.122 0.229 1.00 0.00 H new ATOM 0 HA CYS A 299 -1.130 6.664 0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.243 6.958 2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.277 8.702 2.201 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.409 8.825 4.227 1.00 0.00 H new ATOM 109 N ALA A 300 -3.098 7.993 -0.094 1.00 0.00 N ATOM 110 CA ALA A 300 -4.320 8.720 -0.430 1.00 0.00 C ATOM 111 C ALA A 300 -5.031 9.313 0.789 1.00 0.00 C ATOM 112 O ALA A 300 -6.133 9.847 0.657 1.00 0.00 O ATOM 113 CB ALA A 300 -5.270 7.800 -1.184 1.00 0.00 C ATOM 0 H ALA A 300 -3.147 6.991 -0.279 1.00 0.00 H new ATOM 0 HA ALA A 300 -4.023 9.562 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -6.181 8.344 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.791 7.454 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.519 6.943 -0.559 1.00 0.00 H new ATOM 119 N VAL A 301 -4.419 9.232 1.971 1.00 0.00 N ATOM 120 CA VAL A 301 -5.053 9.777 3.173 1.00 0.00 C ATOM 121 C VAL A 301 -4.250 10.928 3.783 1.00 0.00 C ATOM 122 O VAL A 301 -4.827 11.825 4.398 1.00 0.00 O ATOM 123 CB VAL A 301 -5.309 8.686 4.250 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.907 7.313 3.748 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.594 9.009 5.556 1.00 0.00 C ATOM 0 H VAL A 301 -3.505 8.804 2.122 1.00 0.00 H new ATOM 0 HA VAL A 301 -6.016 10.168 2.844 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.381 8.676 4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -5.098 6.572 4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.488 7.066 2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.846 7.313 3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.796 8.224 6.285 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.520 9.071 5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.953 9.963 5.941 1.00 0.00 H new ATOM 135 N CYS A 302 -2.929 10.915 3.617 1.00 0.00 N ATOM 136 CA CYS A 302 -2.104 11.976 4.189 1.00 0.00 C ATOM 137 C CYS A 302 -0.898 12.287 3.305 1.00 0.00 C ATOM 138 O CYS A 302 0.136 12.749 3.785 1.00 0.00 O ATOM 139 CB CYS A 302 -1.667 11.612 5.617 1.00 0.00 C ATOM 140 SG CYS A 302 -0.225 10.503 5.740 1.00 0.00 S ATOM 0 H CYS A 302 -2.416 10.199 3.103 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.710 12.880 4.238 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.442 12.533 6.155 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.508 11.143 6.127 1.00 0.00 H new ATOM 0 HG CYS A 302 0.867 11.207 5.716 1.00 0.00 H new ATOM 145 N ARG A 303 -1.069 12.043 2.006 1.00 0.00 N ATOM 146 CA ARG A 303 -0.041 12.300 0.991 1.00 0.00 C ATOM 147 C ARG A 303 1.383 12.244 1.546 1.00 0.00 C ATOM 148 O ARG A 303 2.096 13.249 1.547 1.00 0.00 O ATOM 149 CB ARG A 303 -0.287 13.660 0.336 1.00 0.00 C ATOM 150 CG ARG A 303 -1.632 13.768 -0.361 1.00 0.00 C ATOM 151 CD ARG A 303 -1.709 12.839 -1.559 1.00 0.00 C ATOM 152 NE ARG A 303 -3.068 12.738 -2.087 1.00 0.00 N ATOM 153 CZ ARG A 303 -3.352 12.334 -3.321 1.00 0.00 C ATOM 154 NH1 ARG A 303 -2.376 12.000 -4.155 1.00 0.00 N ATOM 155 NH2 ARG A 303 -4.614 12.264 -3.723 1.00 0.00 N ATOM 0 H ARG A 303 -1.932 11.658 1.622 1.00 0.00 H new ATOM 0 HA ARG A 303 -0.123 11.502 0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -0.219 14.437 1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.504 13.853 -0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.429 13.525 0.342 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.795 14.796 -0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -1.042 13.201 -2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -1.357 11.848 -1.273 1.00 0.00 H new ATOM 0 HE ARG A 303 -3.842 12.992 -1.474 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -1.404 12.053 -3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -2.597 11.690 -5.101 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -5.367 12.520 -3.085 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -4.831 11.954 -4.670 1.00 0.00 H new ATOM 169 N ASP A 304 1.792 11.069 2.013 1.00 0.00 N ATOM 170 CA ASP A 304 3.140 10.885 2.541 1.00 0.00 C ATOM 171 C ASP A 304 3.760 9.605 1.986 1.00 0.00 C ATOM 172 O ASP A 304 3.117 8.874 1.232 1.00 0.00 O ATOM 173 CB ASP A 304 3.128 10.853 4.070 1.00 0.00 C ATOM 174 CG ASP A 304 3.077 12.239 4.682 1.00 0.00 C ATOM 175 OD1 ASP A 304 3.991 13.045 4.402 1.00 0.00 O ATOM 176 OD2 ASP A 304 2.127 12.521 5.441 1.00 0.00 O ATOM 0 H ASP A 304 1.211 10.231 2.037 1.00 0.00 H new ATOM 0 HA ASP A 304 3.747 11.733 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.267 10.278 4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 304 4.019 10.335 4.426 1.00 0.00 H new ATOM 181 N GLY A 305 5.010 9.335 2.356 1.00 0.00 N ATOM 182 CA GLY A 305 5.683 8.144 1.863 1.00 0.00 C ATOM 183 C GLY A 305 5.638 6.987 2.838 1.00 0.00 C ATOM 184 O GLY A 305 4.611 6.735 3.454 1.00 0.00 O ATOM 0 H GLY A 305 5.566 9.915 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 305 5.223 7.837 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.723 8.386 1.644 1.00 0.00 H new ATOM 188 N GLY A 306 6.753 6.276 2.975 1.00 0.00 N ATOM 189 CA GLY A 306 6.797 5.134 3.872 1.00 0.00 C ATOM 190 C GLY A 306 6.211 3.895 3.224 1.00 0.00 C ATOM 191 O GLY A 306 6.106 3.829 2.001 1.00 0.00 O ATOM 0 H GLY A 306 7.625 6.469 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.829 4.939 4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.245 5.365 4.783 1.00 0.00 H new ATOM 195 N GLU A 307 5.821 2.910 4.028 1.00 0.00 N ATOM 196 CA GLU A 307 5.242 1.690 3.485 1.00 0.00 C ATOM 197 C GLU A 307 3.747 1.863 3.263 1.00 0.00 C ATOM 198 O GLU A 307 2.983 2.022 4.215 1.00 0.00 O ATOM 199 CB GLU A 307 5.490 0.507 4.421 1.00 0.00 C ATOM 200 CG GLU A 307 5.167 -0.838 3.788 1.00 0.00 C ATOM 201 CD GLU A 307 5.261 -1.990 4.768 1.00 0.00 C ATOM 202 OE1 GLU A 307 6.267 -2.063 5.507 1.00 0.00 O ATOM 203 OE2 GLU A 307 4.326 -2.820 4.799 1.00 0.00 O ATOM 0 H GLU A 307 5.895 2.933 5.045 1.00 0.00 H new ATOM 0 HA GLU A 307 5.724 1.487 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.534 0.512 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.887 0.632 5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.161 -0.805 3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 307 5.851 -1.017 2.958 1.00 0.00 H new ATOM 210 N LEU A 308 3.332 1.833 2.002 1.00 0.00 N ATOM 211 CA LEU A 308 1.923 1.980 1.668 1.00 0.00 C ATOM 212 C LEU A 308 1.403 0.729 0.973 1.00 0.00 C ATOM 213 O LEU A 308 2.162 -0.021 0.365 1.00 0.00 O ATOM 214 CB LEU A 308 1.685 3.193 0.763 1.00 0.00 C ATOM 215 CG LEU A 308 2.731 4.299 0.831 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.614 5.203 -0.387 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.556 5.104 2.104 1.00 0.00 C ATOM 0 H LEU A 308 3.948 1.709 1.199 1.00 0.00 H new ATOM 0 HA LEU A 308 1.384 2.130 2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.622 2.844 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.715 3.623 1.014 1.00 0.00 H new ATOM 0 HG LEU A 308 3.723 3.848 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.366 5.990 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.772 4.616 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.621 5.651 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.308 5.892 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.562 5.551 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.672 4.449 2.968 1.00 0.00 H new ATOM 229 N ILE A 309 0.098 0.526 1.070 1.00 0.00 N ATOM 230 CA ILE A 309 -0.560 -0.611 0.454 1.00 0.00 C ATOM 231 C ILE A 309 -1.381 -0.144 -0.737 1.00 0.00 C ATOM 232 O ILE A 309 -2.519 0.303 -0.589 1.00 0.00 O ATOM 233 CB ILE A 309 -1.465 -1.342 1.463 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.363 -2.360 0.756 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.299 -0.350 2.249 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.167 -3.212 1.712 1.00 0.00 C ATOM 0 H ILE A 309 -0.533 1.146 1.578 1.00 0.00 H new ATOM 0 HA ILE A 309 0.205 -1.310 0.118 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.825 -1.883 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -3.045 -1.832 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.746 -3.008 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -2.932 -0.886 2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.641 0.328 2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -2.925 0.222 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.782 -3.912 1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.490 -3.767 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.809 -2.572 2.318 1.00 0.00 H new ATOM 248 N CYS A 310 -0.784 -0.225 -1.915 1.00 0.00 N ATOM 249 CA CYS A 310 -1.455 0.198 -3.130 1.00 0.00 C ATOM 250 C CYS A 310 -2.633 -0.715 -3.445 1.00 0.00 C ATOM 251 O CYS A 310 -2.483 -1.935 -3.526 1.00 0.00 O ATOM 252 CB CYS A 310 -0.472 0.217 -4.294 1.00 0.00 C ATOM 253 SG CYS A 310 0.921 1.345 -4.064 1.00 0.00 S ATOM 0 H CYS A 310 0.162 -0.579 -2.054 1.00 0.00 H new ATOM 0 HA CYS A 310 -1.839 1.207 -2.977 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.088 -0.791 -4.448 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -1.006 0.496 -5.202 1.00 0.00 H new ATOM 0 HG CYS A 310 1.701 1.289 -5.103 1.00 0.00 H new ATOM 259 N CYS A 311 -3.804 -0.114 -3.619 1.00 0.00 N ATOM 260 CA CYS A 311 -5.015 -0.867 -3.915 1.00 0.00 C ATOM 261 C CYS A 311 -4.850 -1.703 -5.180 1.00 0.00 C ATOM 262 O CYS A 311 -4.151 -1.312 -6.113 1.00 0.00 O ATOM 263 CB CYS A 311 -6.207 0.076 -4.058 1.00 0.00 C ATOM 264 SG CYS A 311 -7.780 -0.786 -4.351 1.00 0.00 S ATOM 0 H CYS A 311 -3.940 0.895 -3.560 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.199 -1.546 -3.082 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.295 0.678 -3.154 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -6.019 0.764 -4.882 1.00 0.00 H new ATOM 0 HG CYS A 311 -8.618 0.024 -4.927 1.00 0.00 H new ATOM 269 N ASP A 312 -5.507 -2.859 -5.196 1.00 0.00 N ATOM 270 CA ASP A 312 -5.433 -3.778 -6.327 1.00 0.00 C ATOM 271 C ASP A 312 -6.356 -3.349 -7.466 1.00 0.00 C ATOM 272 O ASP A 312 -6.207 -3.806 -8.599 1.00 0.00 O ATOM 273 CB ASP A 312 -5.801 -5.191 -5.869 1.00 0.00 C ATOM 274 CG ASP A 312 -5.640 -6.221 -6.969 1.00 0.00 C ATOM 275 OD1 ASP A 312 -6.585 -6.389 -7.769 1.00 0.00 O ATOM 276 OD2 ASP A 312 -4.570 -6.863 -7.030 1.00 0.00 O ATOM 0 H ASP A 312 -6.101 -3.183 -4.433 1.00 0.00 H new ATOM 0 HA ASP A 312 -4.410 -3.763 -6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -5.174 -5.469 -5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -6.833 -5.198 -5.518 1.00 0.00 H new ATOM 281 N GLY A 313 -7.307 -2.472 -7.161 1.00 0.00 N ATOM 282 CA GLY A 313 -8.238 -2.011 -8.175 1.00 0.00 C ATOM 283 C GLY A 313 -8.034 -0.555 -8.545 1.00 0.00 C ATOM 284 O GLY A 313 -8.126 -0.188 -9.717 1.00 0.00 O ATOM 0 H GLY A 313 -7.450 -2.073 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -8.129 -2.626 -9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -9.257 -2.150 -7.815 1.00 0.00 H new ATOM 288 N CYS A 314 -7.753 0.275 -7.547 1.00 0.00 N ATOM 289 CA CYS A 314 -7.544 1.700 -7.775 1.00 0.00 C ATOM 290 C CYS A 314 -6.058 2.059 -7.667 1.00 0.00 C ATOM 291 O CYS A 314 -5.299 1.373 -6.982 1.00 0.00 O ATOM 292 CB CYS A 314 -8.365 2.512 -6.772 1.00 0.00 C ATOM 293 SG CYS A 314 -9.908 1.694 -6.243 1.00 0.00 S ATOM 0 H CYS A 314 -7.665 -0.014 -6.573 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.875 1.943 -8.785 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -7.752 2.712 -5.893 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -8.611 3.477 -7.215 1.00 0.00 H new ATOM 0 HG CYS A 314 -9.997 1.732 -4.947 1.00 0.00 H new ATOM 298 N PRO A 315 -5.624 3.137 -8.350 1.00 0.00 N ATOM 299 CA PRO A 315 -4.225 3.583 -8.345 1.00 0.00 C ATOM 300 C PRO A 315 -3.830 4.320 -7.068 1.00 0.00 C ATOM 301 O PRO A 315 -3.084 5.298 -7.118 1.00 0.00 O ATOM 302 CB PRO A 315 -4.143 4.549 -9.540 1.00 0.00 C ATOM 303 CG PRO A 315 -5.469 4.471 -10.228 1.00 0.00 C ATOM 304 CD PRO A 315 -6.450 4.007 -9.195 1.00 0.00 C ATOM 0 HA PRO A 315 -3.548 2.731 -8.405 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.937 5.566 -9.206 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.336 4.266 -10.216 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -5.757 5.443 -10.629 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -5.431 3.778 -11.068 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.872 4.839 -8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -7.286 3.467 -9.641 1.00 0.00 H new ATOM 312 N ARG A 316 -4.317 3.849 -5.927 1.00 0.00 N ATOM 313 CA ARG A 316 -4.006 4.489 -4.654 1.00 0.00 C ATOM 314 C ARG A 316 -3.101 3.619 -3.789 1.00 0.00 C ATOM 315 O ARG A 316 -2.678 2.545 -4.204 1.00 0.00 O ATOM 316 CB ARG A 316 -5.293 4.813 -3.901 1.00 0.00 C ATOM 317 CG ARG A 316 -6.020 6.028 -4.448 1.00 0.00 C ATOM 318 CD ARG A 316 -7.410 6.156 -3.849 1.00 0.00 C ATOM 319 NE ARG A 316 -8.388 5.346 -4.567 1.00 0.00 N ATOM 320 CZ ARG A 316 -9.635 5.738 -4.810 1.00 0.00 C ATOM 321 NH1 ARG A 316 -10.057 6.921 -4.382 1.00 0.00 N ATOM 322 NH2 ARG A 316 -10.461 4.949 -5.483 1.00 0.00 N ATOM 0 H ARG A 316 -4.924 3.033 -5.856 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.470 5.413 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.958 3.950 -3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.058 4.982 -2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.444 6.927 -4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -6.095 5.952 -5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.384 5.851 -2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -7.719 7.201 -3.869 1.00 0.00 H new ATOM 0 HE ARG A 316 -8.099 4.427 -4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -9.424 7.532 -3.865 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -11.014 7.220 -4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -10.140 4.040 -5.815 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -11.417 5.251 -5.668 1.00 0.00 H new ATOM 336 N ALA A 317 -2.809 4.114 -2.588 1.00 0.00 N ATOM 337 CA ALA A 317 -1.957 3.423 -1.624 1.00 0.00 C ATOM 338 C ALA A 317 -2.263 3.949 -0.216 1.00 0.00 C ATOM 339 O ALA A 317 -2.601 5.122 -0.064 1.00 0.00 O ATOM 340 CB ALA A 317 -0.493 3.635 -1.982 1.00 0.00 C ATOM 0 H ALA A 317 -3.160 5.012 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.158 2.352 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.137 3.117 -1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.301 3.239 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.265 4.701 -1.964 1.00 0.00 H new ATOM 346 N PHE A 318 -2.156 3.103 0.814 1.00 0.00 N ATOM 347 CA PHE A 318 -2.478 3.548 2.179 1.00 0.00 C ATOM 348 C PHE A 318 -1.410 3.181 3.212 1.00 0.00 C ATOM 349 O PHE A 318 -0.680 2.211 3.061 1.00 0.00 O ATOM 350 CB PHE A 318 -3.829 2.962 2.601 1.00 0.00 C ATOM 351 CG PHE A 318 -4.995 3.588 1.903 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.244 3.296 0.585 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.838 4.462 2.566 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.312 3.858 -0.075 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.914 5.034 1.914 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.152 4.731 0.589 1.00 0.00 C ATOM 0 H PHE A 318 -1.857 2.131 0.736 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.519 4.637 2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.829 1.890 2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -3.950 3.087 3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.592 2.615 0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.653 4.700 3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.494 3.617 -1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.566 5.716 2.440 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.991 5.174 0.073 1.00 0.00 H new ATOM 366 N HIS A 319 -1.349 3.975 4.279 1.00 0.00 N ATOM 367 CA HIS A 319 -0.390 3.759 5.361 1.00 0.00 C ATOM 368 C HIS A 319 -0.891 2.722 6.351 1.00 0.00 C ATOM 369 O HIS A 319 -0.632 2.840 7.548 1.00 0.00 O ATOM 370 CB HIS A 319 -0.163 5.054 6.126 1.00 0.00 C ATOM 371 CG HIS A 319 1.018 5.841 5.704 1.00 0.00 C ATOM 372 ND1 HIS A 319 0.934 7.180 5.437 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.316 5.502 5.566 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.135 7.642 5.158 1.00 0.00 C ATOM 375 NE2 HIS A 319 2.996 6.643 5.231 1.00 0.00 N ATOM 0 H HIS A 319 -1.958 4.781 4.418 1.00 0.00 H new ATOM 0 HA HIS A 319 0.535 3.409 4.903 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -1.051 5.678 6.022 1.00 0.00 H new ATOM 0 HB3 HIS A 319 -0.062 4.818 7.185 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.739 4.517 5.695 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.376 8.665 4.911 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.000 6.710 5.065 1.00 0.00 H new ATOM 383 N LEU A 320 -1.612 1.721 5.864 1.00 0.00 N ATOM 384 CA LEU A 320 -2.144 0.682 6.737 1.00 0.00 C ATOM 385 C LEU A 320 -3.142 1.269 7.727 1.00 0.00 C ATOM 386 O LEU A 320 -4.352 1.142 7.558 1.00 0.00 O ATOM 387 CB LEU A 320 -1.012 0.007 7.500 1.00 0.00 C ATOM 388 CG LEU A 320 0.068 -0.665 6.646 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.508 -1.952 7.291 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.433 -0.934 5.239 1.00 0.00 C ATOM 0 H LEU A 320 -1.841 1.606 4.877 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.654 -0.055 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.533 0.753 8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.444 -0.744 8.161 1.00 0.00 H new ATOM 0 HG LEU A 320 0.918 0.014 6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.276 -2.423 6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.913 -1.743 8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.346 -2.624 7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.355 -1.411 4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.301 -1.592 5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.714 0.007 4.766 1.00 0.00 H new ATOM 402 N ALA A 321 -2.614 1.905 8.765 1.00 0.00 N ATOM 403 CA ALA A 321 -3.434 2.525 9.792 1.00 0.00 C ATOM 404 C ALA A 321 -4.118 3.781 9.264 1.00 0.00 C ATOM 405 O ALA A 321 -5.070 4.277 9.867 1.00 0.00 O ATOM 406 CB ALA A 321 -2.582 2.846 11.007 1.00 0.00 C ATOM 0 H ALA A 321 -1.610 2.004 8.916 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.215 1.823 10.084 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.202 3.311 11.774 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.147 1.927 11.400 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.784 3.531 10.721 1.00 0.00 H new ATOM 412 N CYS A 322 -3.628 4.295 8.135 1.00 0.00 N ATOM 413 CA CYS A 322 -4.226 5.494 7.530 1.00 0.00 C ATOM 414 C CYS A 322 -5.567 5.138 6.903 1.00 0.00 C ATOM 415 O CYS A 322 -6.275 5.992 6.372 1.00 0.00 O ATOM 416 CB CYS A 322 -3.302 6.112 6.472 1.00 0.00 C ATOM 417 SG CYS A 322 -2.211 7.446 7.106 1.00 0.00 S ATOM 0 H CYS A 322 -2.832 3.911 7.625 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.372 6.233 8.318 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.682 5.324 6.044 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.913 6.512 5.663 1.00 0.00 H new ATOM 0 HG CYS A 322 -1.092 7.443 6.444 1.00 0.00 H new ATOM 422 N LEU A 323 -5.896 3.856 6.977 1.00 0.00 N ATOM 423 CA LEU A 323 -7.140 3.328 6.436 1.00 0.00 C ATOM 424 C LEU A 323 -8.270 3.449 7.442 1.00 0.00 C ATOM 425 O LEU A 323 -8.019 3.604 8.638 1.00 0.00 O ATOM 426 CB LEU A 323 -6.954 1.851 6.097 1.00 0.00 C ATOM 427 CG LEU A 323 -6.380 1.563 4.731 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.773 0.170 4.703 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.471 1.704 3.693 1.00 0.00 C ATOM 0 H LEU A 323 -5.305 3.150 7.416 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.394 3.903 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.302 1.404 6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.921 1.354 6.178 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.588 2.277 4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.362 -0.028 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -4.978 0.104 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.543 -0.567 4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.061 1.497 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.272 0.997 3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.867 2.719 3.717 1.00 0.00 H new ATOM 441 N SER A 324 -9.518 3.389 6.970 1.00 0.00 N ATOM 442 CA SER A 324 -10.640 3.432 7.898 1.00 0.00 C ATOM 443 C SER A 324 -10.423 2.294 8.889 1.00 0.00 C ATOM 444 O SER A 324 -10.434 2.510 10.102 1.00 0.00 O ATOM 445 CB SER A 324 -11.994 3.331 7.179 1.00 0.00 C ATOM 446 OG SER A 324 -12.189 4.427 6.303 1.00 0.00 O ATOM 0 H SER A 324 -9.768 3.313 5.984 1.00 0.00 H new ATOM 0 HA SER A 324 -10.676 4.390 8.416 1.00 0.00 H new ATOM 0 HB2 SER A 324 -12.042 2.399 6.616 1.00 0.00 H new ATOM 0 HB3 SER A 324 -12.798 3.301 7.914 1.00 0.00 H new ATOM 0 HG SER A 324 -13.057 4.338 5.856 1.00 0.00 H new ATOM 452 N PRO A 325 -10.216 1.054 8.384 1.00 0.00 N ATOM 453 CA PRO A 325 -9.881 -0.087 9.197 1.00 0.00 C ATOM 454 C PRO A 325 -8.389 -0.357 9.038 1.00 0.00 C ATOM 455 O PRO A 325 -7.911 -0.564 7.922 1.00 0.00 O ATOM 456 CB PRO A 325 -10.716 -1.190 8.573 1.00 0.00 C ATOM 457 CG PRO A 325 -10.868 -0.801 7.127 1.00 0.00 C ATOM 458 CD PRO A 325 -10.349 0.616 6.986 1.00 0.00 C ATOM 0 HA PRO A 325 -10.075 0.023 10.264 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.225 -2.158 8.671 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.686 -1.274 9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.308 -1.481 6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -11.912 -0.860 6.821 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.395 0.647 6.460 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.041 1.247 6.428 1.00 0.00 H new ATOM 466 N PRO A 326 -7.625 -0.371 10.130 1.00 0.00 N ATOM 467 CA PRO A 326 -6.184 -0.541 10.049 1.00 0.00 C ATOM 468 C PRO A 326 -5.747 -1.974 9.848 1.00 0.00 C ATOM 469 O PRO A 326 -6.275 -2.907 10.453 1.00 0.00 O ATOM 470 CB PRO A 326 -5.708 0.006 11.374 1.00 0.00 C ATOM 471 CG PRO A 326 -6.805 -0.327 12.320 1.00 0.00 C ATOM 472 CD PRO A 326 -8.091 -0.278 11.521 1.00 0.00 C ATOM 0 HA PRO A 326 -5.764 -0.032 9.181 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -4.767 -0.451 11.679 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.538 1.082 11.323 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.656 -1.315 12.755 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.834 0.384 13.146 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.757 -1.102 11.779 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.642 0.645 11.700 1.00 0.00 H new ATOM 480 N LEU A 327 -4.767 -2.116 8.976 1.00 0.00 N ATOM 481 CA LEU A 327 -4.209 -3.404 8.634 1.00 0.00 C ATOM 482 C LEU A 327 -3.134 -3.823 9.624 1.00 0.00 C ATOM 483 O LEU A 327 -1.941 -3.675 9.353 1.00 0.00 O ATOM 484 CB LEU A 327 -3.630 -3.336 7.228 1.00 0.00 C ATOM 485 CG LEU A 327 -4.555 -2.703 6.205 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.844 -2.496 4.890 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.777 -3.565 6.018 1.00 0.00 C ATOM 0 H LEU A 327 -4.335 -1.334 8.484 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.002 -4.151 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.698 -2.771 7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.381 -4.345 6.901 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.865 -1.725 6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.528 -2.041 4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -2.986 -1.840 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.503 -3.457 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.437 -3.105 5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.476 -4.552 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.303 -3.661 6.968 1.00 0.00 H new ATOM 499 N ARG A 328 -3.559 -4.333 10.778 1.00 0.00 N ATOM 500 CA ARG A 328 -2.625 -4.807 11.794 1.00 0.00 C ATOM 501 C ARG A 328 -1.609 -5.728 11.139 1.00 0.00 C ATOM 502 O ARG A 328 -0.507 -5.947 11.644 1.00 0.00 O ATOM 503 CB ARG A 328 -3.381 -5.565 12.882 1.00 0.00 C ATOM 504 CG ARG A 328 -2.517 -5.977 14.053 1.00 0.00 C ATOM 505 CD ARG A 328 -3.297 -6.808 15.059 1.00 0.00 C ATOM 506 NE ARG A 328 -2.504 -7.118 16.245 1.00 0.00 N ATOM 507 CZ ARG A 328 -2.885 -7.978 17.186 1.00 0.00 C ATOM 508 NH1 ARG A 328 -4.044 -8.614 17.077 1.00 0.00 N ATOM 509 NH2 ARG A 328 -2.107 -8.202 18.236 1.00 0.00 N ATOM 0 H ARG A 328 -4.542 -4.428 11.032 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.115 -3.957 12.247 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.197 -4.941 13.247 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -3.832 -6.456 12.444 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -1.663 -6.550 13.692 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -2.121 -5.088 14.544 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -4.196 -6.268 15.355 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -3.623 -7.736 14.588 1.00 0.00 H new ATOM 0 HE ARG A 328 -1.606 -6.648 16.359 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -4.645 -8.444 16.271 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -4.334 -9.273 17.800 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -1.215 -7.715 18.323 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -2.400 -8.862 18.957 1.00 0.00 H new ATOM 523 N GLU A 329 -2.017 -6.258 9.996 1.00 0.00 N ATOM 524 CA GLU A 329 -1.201 -7.153 9.197 1.00 0.00 C ATOM 525 C GLU A 329 -1.743 -7.175 7.774 1.00 0.00 C ATOM 526 O GLU A 329 -2.900 -7.529 7.542 1.00 0.00 O ATOM 527 CB GLU A 329 -1.182 -8.558 9.800 1.00 0.00 C ATOM 528 CG GLU A 329 -2.563 -9.154 9.987 1.00 0.00 C ATOM 529 CD GLU A 329 -2.524 -10.601 10.438 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.490 -11.493 9.565 1.00 0.00 O ATOM 531 OE2 GLU A 329 -2.526 -10.841 11.664 1.00 0.00 O ATOM 0 H GLU A 329 -2.936 -6.075 9.594 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.172 -6.794 9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -0.596 -9.214 9.156 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.676 -8.524 10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.111 -8.564 10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.113 -9.086 9.048 1.00 0.00 H new ATOM 538 N ILE A 330 -0.900 -6.775 6.831 1.00 0.00 N ATOM 539 CA ILE A 330 -1.275 -6.702 5.430 1.00 0.00 C ATOM 540 C ILE A 330 -2.135 -7.881 4.972 1.00 0.00 C ATOM 541 O ILE A 330 -1.846 -9.035 5.286 1.00 0.00 O ATOM 542 CB ILE A 330 -0.022 -6.590 4.561 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.675 -5.274 4.897 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.366 -6.677 3.077 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.090 -4.052 4.479 1.00 0.00 C ATOM 0 H ILE A 330 0.062 -6.493 7.018 1.00 0.00 H new ATOM 0 HA ILE A 330 -1.890 -5.810 5.314 1.00 0.00 H new ATOM 0 HB ILE A 330 0.648 -7.424 4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.848 -5.231 5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.653 -5.260 4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.546 -6.594 2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.846 -7.633 2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.044 -5.866 2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.472 -3.159 4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.241 -4.069 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.058 -4.039 4.980 1.00 0.00 H new ATOM 557 N PRO A 331 -3.213 -7.579 4.218 1.00 0.00 N ATOM 558 CA PRO A 331 -4.147 -8.581 3.691 1.00 0.00 C ATOM 559 C PRO A 331 -3.449 -9.816 3.132 1.00 0.00 C ATOM 560 O PRO A 331 -2.312 -9.738 2.666 1.00 0.00 O ATOM 561 CB PRO A 331 -4.851 -7.824 2.574 1.00 0.00 C ATOM 562 CG PRO A 331 -4.874 -6.416 3.049 1.00 0.00 C ATOM 563 CD PRO A 331 -3.609 -6.212 3.823 1.00 0.00 C ATOM 0 HA PRO A 331 -4.808 -8.968 4.467 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.315 -7.917 1.630 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -5.859 -8.205 2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -4.932 -5.723 2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.747 -6.231 3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -2.841 -5.733 3.215 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.771 -5.575 4.693 1.00 0.00 H new ATOM 571 N SER A 332 -4.139 -10.952 3.175 1.00 0.00 N ATOM 572 CA SER A 332 -3.584 -12.205 2.672 1.00 0.00 C ATOM 573 C SER A 332 -3.121 -12.068 1.222 1.00 0.00 C ATOM 574 O SER A 332 -1.921 -12.036 0.946 1.00 0.00 O ATOM 575 CB SER A 332 -4.613 -13.323 2.790 1.00 0.00 C ATOM 576 OG SER A 332 -5.886 -12.904 2.329 1.00 0.00 O ATOM 0 H SER A 332 -5.083 -11.031 3.553 1.00 0.00 H new ATOM 0 HA SER A 332 -2.714 -12.453 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 332 -4.282 -14.187 2.214 1.00 0.00 H new ATOM 0 HB3 SER A 332 -4.688 -13.643 3.829 1.00 0.00 H new ATOM 0 HG SER A 332 -6.525 -13.642 2.415 1.00 0.00 H new ATOM 582 N GLY A 333 -4.080 -11.985 0.301 1.00 0.00 N ATOM 583 CA GLY A 333 -3.750 -11.858 -1.108 1.00 0.00 C ATOM 584 C GLY A 333 -4.086 -10.487 -1.667 1.00 0.00 C ATOM 585 O GLY A 333 -3.313 -9.542 -1.511 1.00 0.00 O ATOM 0 H GLY A 333 -5.079 -12.004 0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -2.686 -12.052 -1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -4.289 -12.618 -1.673 1.00 0.00 H new ATOM 589 N THR A 334 -5.239 -10.385 -2.322 1.00 0.00 N ATOM 590 CA THR A 334 -5.680 -9.123 -2.909 1.00 0.00 C ATOM 591 C THR A 334 -6.176 -8.164 -1.833 1.00 0.00 C ATOM 592 O THR A 334 -6.213 -8.511 -0.652 1.00 0.00 O ATOM 593 CB THR A 334 -6.803 -9.346 -3.938 1.00 0.00 C ATOM 594 OG1 THR A 334 -7.954 -9.904 -3.293 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.342 -10.275 -5.051 1.00 0.00 C ATOM 0 H THR A 334 -5.886 -11.162 -2.460 1.00 0.00 H new ATOM 0 HA THR A 334 -4.817 -8.687 -3.413 1.00 0.00 H new ATOM 0 HB THR A 334 -7.061 -8.381 -4.375 1.00 0.00 H new ATOM 0 HG1 THR A 334 -8.665 -10.041 -3.954 1.00 0.00 H new ATOM 0 HG21 THR A 334 -7.153 -10.417 -5.765 1.00 0.00 H new ATOM 0 HG22 THR A 334 -5.483 -9.836 -5.559 1.00 0.00 H new ATOM 0 HG23 THR A 334 -6.059 -11.238 -4.627 1.00 0.00 H new ATOM 603 N TRP A 335 -6.560 -6.958 -2.245 1.00 0.00 N ATOM 604 CA TRP A 335 -7.051 -5.954 -1.306 1.00 0.00 C ATOM 605 C TRP A 335 -7.610 -4.732 -2.027 1.00 0.00 C ATOM 606 O TRP A 335 -7.014 -4.235 -2.981 1.00 0.00 O ATOM 607 CB TRP A 335 -5.927 -5.500 -0.378 1.00 0.00 C ATOM 608 CG TRP A 335 -6.345 -4.414 0.563 1.00 0.00 C ATOM 609 CD1 TRP A 335 -6.990 -4.559 1.757 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.149 -3.011 0.379 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.190 -3.328 2.334 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.684 -2.366 1.504 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.564 -2.238 -0.627 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.652 -0.987 1.653 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.535 -0.865 -0.480 1.00 0.00 C ATOM 616 CH2 TRP A 335 -6.074 -0.252 0.655 1.00 0.00 C ATOM 0 H TRP A 335 -6.541 -6.654 -3.218 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.851 -6.420 -0.730 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.572 -6.355 0.198 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.088 -5.149 -0.978 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.298 -5.502 2.185 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.641 -3.160 3.233 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.142 -2.706 -1.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -7.069 -0.510 2.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -5.090 -0.256 -1.253 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -6.033 0.823 0.745 1.00 0.00 H new ATOM 627 N ARG A 336 -8.759 -4.256 -1.559 1.00 0.00 N ATOM 628 CA ARG A 336 -9.384 -3.072 -2.125 1.00 0.00 C ATOM 629 C ARG A 336 -9.465 -1.973 -1.066 1.00 0.00 C ATOM 630 O ARG A 336 -9.568 -2.263 0.127 1.00 0.00 O ATOM 631 CB ARG A 336 -10.773 -3.418 -2.649 1.00 0.00 C ATOM 632 CG ARG A 336 -10.779 -4.621 -3.561 1.00 0.00 C ATOM 633 CD ARG A 336 -11.835 -4.460 -4.615 1.00 0.00 C ATOM 634 NE ARG A 336 -12.052 -5.685 -5.378 1.00 0.00 N ATOM 635 CZ ARG A 336 -12.477 -5.705 -6.638 1.00 0.00 C ATOM 636 NH1 ARG A 336 -12.726 -4.569 -7.276 1.00 0.00 N ATOM 637 NH2 ARG A 336 -12.651 -6.861 -7.262 1.00 0.00 N ATOM 0 H ARG A 336 -9.276 -4.676 -0.786 1.00 0.00 H new ATOM 0 HA ARG A 336 -8.782 -2.708 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.437 -3.606 -1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.176 -2.560 -3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -9.801 -4.738 -4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.966 -5.526 -2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -12.771 -4.158 -4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -11.547 -3.658 -5.295 1.00 0.00 H new ATOM 0 HE ARG A 336 -11.867 -6.577 -4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -12.592 -3.677 -6.800 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -13.052 -4.588 -8.242 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -12.459 -7.737 -6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -12.977 -6.875 -8.228 1.00 0.00 H new ATOM 651 N CYS A 337 -9.415 -0.715 -1.496 1.00 0.00 N ATOM 652 CA CYS A 337 -9.466 0.409 -0.558 1.00 0.00 C ATOM 653 C CYS A 337 -10.901 0.885 -0.323 1.00 0.00 C ATOM 654 O CYS A 337 -11.793 0.605 -1.113 1.00 0.00 O ATOM 655 CB CYS A 337 -8.581 1.565 -1.036 1.00 0.00 C ATOM 656 SG CYS A 337 -9.093 2.323 -2.610 1.00 0.00 S ATOM 0 H CYS A 337 -9.340 -0.447 -2.477 1.00 0.00 H new ATOM 0 HA CYS A 337 -9.077 0.053 0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.568 2.336 -0.266 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -7.559 1.202 -1.140 1.00 0.00 H new ATOM 0 HG CYS A 337 -10.301 2.789 -2.495 1.00 0.00 H new ATOM 661 N SER A 338 -11.101 1.611 0.774 1.00 0.00 N ATOM 662 CA SER A 338 -12.424 2.117 1.163 1.00 0.00 C ATOM 663 C SER A 338 -13.333 2.430 -0.032 1.00 0.00 C ATOM 664 O SER A 338 -14.440 1.907 -0.121 1.00 0.00 O ATOM 665 CB SER A 338 -12.272 3.365 2.031 1.00 0.00 C ATOM 666 OG SER A 338 -11.661 4.420 1.308 1.00 0.00 O ATOM 0 H SER A 338 -10.355 1.867 1.420 1.00 0.00 H new ATOM 0 HA SER A 338 -12.906 1.317 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 338 -13.251 3.684 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 338 -11.673 3.129 2.911 1.00 0.00 H new ATOM 0 HG SER A 338 -11.577 5.207 1.886 1.00 0.00 H new ATOM 672 N SER A 339 -12.867 3.282 -0.938 1.00 0.00 N ATOM 673 CA SER A 339 -13.655 3.674 -2.109 1.00 0.00 C ATOM 674 C SER A 339 -14.311 2.478 -2.805 1.00 0.00 C ATOM 675 O SER A 339 -15.536 2.336 -2.792 1.00 0.00 O ATOM 676 CB SER A 339 -12.774 4.431 -3.090 1.00 0.00 C ATOM 677 OG SER A 339 -11.629 3.675 -3.441 1.00 0.00 O ATOM 0 H SER A 339 -11.946 3.717 -0.887 1.00 0.00 H new ATOM 0 HA SER A 339 -14.461 4.318 -1.758 1.00 0.00 H new ATOM 0 HB2 SER A 339 -13.345 4.668 -3.987 1.00 0.00 H new ATOM 0 HB3 SER A 339 -12.466 5.379 -2.649 1.00 0.00 H new ATOM 0 HG SER A 339 -11.760 3.275 -4.326 1.00 0.00 H new ATOM 683 N CYS A 340 -13.493 1.623 -3.408 1.00 0.00 N ATOM 684 CA CYS A 340 -13.980 0.454 -4.115 1.00 0.00 C ATOM 685 C CYS A 340 -14.760 -0.446 -3.174 1.00 0.00 C ATOM 686 O CYS A 340 -15.770 -1.042 -3.548 1.00 0.00 O ATOM 687 CB CYS A 340 -12.796 -0.310 -4.687 1.00 0.00 C ATOM 688 SG CYS A 340 -11.440 -0.487 -3.509 1.00 0.00 S ATOM 0 H CYS A 340 -12.478 1.724 -3.418 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.641 0.773 -4.921 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -13.127 -1.299 -5.004 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.433 0.205 -5.577 1.00 0.00 H new ATOM 0 HG CYS A 340 -11.740 0.131 -2.406 1.00 0.00 H new ATOM 693 N LEU A 341 -14.267 -0.532 -1.947 1.00 0.00 N ATOM 694 CA LEU A 341 -14.879 -1.344 -0.914 1.00 0.00 C ATOM 695 C LEU A 341 -16.366 -1.055 -0.785 1.00 0.00 C ATOM 696 O LEU A 341 -17.183 -1.974 -0.712 1.00 0.00 O ATOM 697 CB LEU A 341 -14.162 -1.095 0.404 1.00 0.00 C ATOM 698 CG LEU A 341 -12.768 -1.709 0.491 1.00 0.00 C ATOM 699 CD1 LEU A 341 -12.069 -1.298 1.769 1.00 0.00 C ATOM 700 CD2 LEU A 341 -12.861 -3.214 0.386 1.00 0.00 C ATOM 0 H LEU A 341 -13.428 -0.038 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.782 -2.394 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -14.082 -0.020 0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -14.772 -1.492 1.216 1.00 0.00 H new ATOM 0 HG LEU A 341 -12.172 -1.336 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -11.078 -1.751 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -11.974 -0.213 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -12.651 -1.634 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -11.862 -3.646 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -13.474 -3.598 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -13.314 -3.485 -0.568 1.00 0.00 H new ATOM 803 N ALA B 1 -1.599 -8.131 0.181 1.00 0.00 N ATOM 804 CA ALA B 1 -1.849 -6.976 -0.718 1.00 0.00 C ATOM 805 C ALA B 1 -0.541 -6.336 -1.168 1.00 0.00 C ATOM 806 O ALA B 1 0.483 -6.455 -0.496 1.00 0.00 O ATOM 807 CB ALA B 1 -2.738 -5.955 -0.027 1.00 0.00 C ATOM 0 H1 ALA B 1 -2.016 -8.989 -0.233 1.00 0.00 H new ATOM 0 H2 ALA B 1 -0.574 -8.265 0.297 1.00 0.00 H new ATOM 0 H3 ALA B 1 -2.032 -7.949 1.109 1.00 0.00 H new ATOM 0 HA ALA B 1 -2.363 -7.341 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -2.914 -5.113 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.690 -6.418 0.232 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.248 -5.601 0.880 1.00 0.00 H new ATOM 815 N ARG B 2 -0.582 -5.661 -2.315 1.00 0.00 N ATOM 816 CA ARG B 2 0.601 -5.005 -2.861 1.00 0.00 C ATOM 817 C ARG B 2 1.001 -3.807 -2.005 1.00 0.00 C ATOM 818 O ARG B 2 0.519 -2.695 -2.218 1.00 0.00 O ATOM 819 CB ARG B 2 0.345 -4.544 -4.299 1.00 0.00 C ATOM 820 CG ARG B 2 -0.352 -5.580 -5.172 1.00 0.00 C ATOM 821 CD ARG B 2 0.418 -6.891 -5.226 1.00 0.00 C ATOM 822 NE ARG B 2 0.014 -7.719 -6.363 1.00 0.00 N ATOM 823 CZ ARG B 2 -1.215 -8.202 -6.533 1.00 0.00 C ATOM 824 NH1 ARG B 2 -2.167 -7.945 -5.644 1.00 0.00 N ATOM 825 NH2 ARG B 2 -1.493 -8.943 -7.596 1.00 0.00 N ATOM 0 H ARG B 2 -1.422 -5.555 -2.883 1.00 0.00 H new ATOM 0 HA ARG B 2 1.416 -5.729 -2.857 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -0.261 -3.638 -4.276 1.00 0.00 H new ATOM 0 HB3 ARG B 2 1.297 -4.279 -4.759 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -1.355 -5.764 -4.786 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -0.467 -5.185 -6.181 1.00 0.00 H new ATOM 0 HD2 ARG B 2 1.486 -6.682 -5.292 1.00 0.00 H new ATOM 0 HD3 ARG B 2 0.258 -7.444 -4.300 1.00 0.00 H new ATOM 0 HE ARG B 2 0.717 -7.940 -7.068 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -1.959 -7.374 -4.825 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.106 -8.318 -5.780 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.766 -9.143 -8.283 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -2.434 -9.314 -7.727 1.00 0.00 H new ATOM 839 N THR B 3 1.884 -4.040 -1.040 1.00 0.00 N ATOM 840 CA THR B 3 2.344 -2.974 -0.157 1.00 0.00 C ATOM 841 C THR B 3 3.867 -2.878 -0.163 1.00 0.00 C ATOM 842 O THR B 3 4.562 -3.851 0.129 1.00 0.00 O ATOM 843 CB THR B 3 1.855 -3.183 1.290 1.00 0.00 C ATOM 844 OG1 THR B 3 2.807 -3.954 2.033 1.00 0.00 O ATOM 845 CG2 THR B 3 0.510 -3.891 1.303 1.00 0.00 C ATOM 0 H THR B 3 2.294 -4.954 -0.850 1.00 0.00 H new ATOM 0 HA THR B 3 1.921 -2.044 -0.538 1.00 0.00 H new ATOM 0 HB THR B 3 1.746 -2.203 1.754 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.484 -4.314 1.423 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.182 -4.029 2.333 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.223 -3.289 0.766 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.606 -4.863 0.819 1.00 0.00 H new ATOM 853 N LYS B 4 4.379 -1.700 -0.505 1.00 0.00 N ATOM 854 CA LYS B 4 5.821 -1.476 -0.552 1.00 0.00 C ATOM 855 C LYS B 4 6.177 -0.085 -0.036 1.00 0.00 C ATOM 856 O LYS B 4 5.331 0.810 0.004 1.00 0.00 O ATOM 857 CB LYS B 4 6.347 -1.661 -1.980 1.00 0.00 C ATOM 858 CG LYS B 4 5.341 -1.300 -3.066 1.00 0.00 C ATOM 859 CD LYS B 4 4.999 0.183 -3.063 1.00 0.00 C ATOM 860 CE LYS B 4 6.202 1.039 -3.431 1.00 0.00 C ATOM 861 NZ LYS B 4 6.607 0.847 -4.852 1.00 0.00 N ATOM 0 H LYS B 4 3.818 -0.886 -0.754 1.00 0.00 H new ATOM 0 HA LYS B 4 6.296 -2.212 0.096 1.00 0.00 H new ATOM 0 HB2 LYS B 4 7.240 -1.049 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS B 4 6.651 -2.699 -2.112 1.00 0.00 H new ATOM 0 HG2 LYS B 4 5.746 -1.576 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS B 4 4.430 -1.881 -2.923 1.00 0.00 H new ATOM 0 HD2 LYS B 4 4.189 0.371 -3.768 1.00 0.00 H new ATOM 0 HD3 LYS B 4 4.636 0.471 -2.076 1.00 0.00 H new ATOM 0 HE2 LYS B 4 5.966 2.089 -3.259 1.00 0.00 H new ATOM 0 HE3 LYS B 4 7.038 0.789 -2.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 7.585 0.495 -4.890 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 5.973 0.157 -5.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 6.546 1.755 -5.356 1.00 0.00 H new ATOM 875 N GLN B 5 7.434 0.088 0.359 1.00 0.00 N ATOM 876 CA GLN B 5 7.906 1.368 0.876 1.00 0.00 C ATOM 877 C GLN B 5 8.206 2.342 -0.258 1.00 0.00 C ATOM 878 O GLN B 5 8.541 1.933 -1.371 1.00 0.00 O ATOM 879 CB GLN B 5 9.155 1.168 1.736 1.00 0.00 C ATOM 880 CG GLN B 5 8.905 0.341 2.987 1.00 0.00 C ATOM 881 CD GLN B 5 10.132 0.232 3.873 1.00 0.00 C ATOM 882 OE1 GLN B 5 11.312 0.263 3.262 1.00 0.00 O flip ATOM 883 NE2 GLN B 5 10.021 0.119 5.094 1.00 0.00 N flip ATOM 0 H GLN B 5 8.145 -0.643 0.331 1.00 0.00 H new ATOM 0 HA GLN B 5 7.113 1.792 1.492 1.00 0.00 H new ATOM 0 HB2 GLN B 5 9.925 0.682 1.137 1.00 0.00 H new ATOM 0 HB3 GLN B 5 9.546 2.143 2.027 1.00 0.00 H new ATOM 0 HG2 GLN B 5 8.090 0.788 3.556 1.00 0.00 H new ATOM 0 HG3 GLN B 5 8.581 -0.659 2.698 1.00 0.00 H new ATOM 0 HE21 GLN B 5 9.095 0.100 5.522 1.00 0.00 H new ATOM 0 HE22 GLN B 5 10.855 0.045 5.677 1.00 0.00 H new ATOM 892 N THR B 6 8.084 3.632 0.036 1.00 0.00 N ATOM 893 CA THR B 6 8.337 4.675 -0.951 1.00 0.00 C ATOM 894 C THR B 6 9.022 5.877 -0.312 1.00 0.00 C ATOM 895 O THR B 6 8.848 6.142 0.878 1.00 0.00 O ATOM 896 CB THR B 6 7.027 5.142 -1.618 1.00 0.00 C ATOM 897 OG1 THR B 6 7.297 6.200 -2.544 1.00 0.00 O ATOM 898 CG2 THR B 6 6.029 5.618 -0.571 1.00 0.00 C ATOM 0 H THR B 6 7.810 3.981 0.954 1.00 0.00 H new ATOM 0 HA THR B 6 8.992 4.245 -1.709 1.00 0.00 H new ATOM 0 HB THR B 6 6.595 4.296 -2.153 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.472 6.698 -2.721 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.112 5.943 -1.063 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.803 4.801 0.114 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.456 6.451 -0.013 1.00 0.00 H new