USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=16 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 161:sc= 0.361 USER MOD Set 1.2: A 314 CYS SG : rot -45:sc= -0.445 USER MOD Set 1.3: A 337 CYS SG : rot -130:sc= 0.778 USER MOD Set 1.4: A 340 CYS SG : rot 82:sc= -0.262 USER MOD Set 2.1: A 299 CYS SG : rot -137:sc= -4.67! USER MOD Set 2.2: A 302 CYS SG : rot 104:sc= -1.57! USER MOD Set 2.3: A 319 HIS : no HD1:sc= -0.23 K(o=-10,f=-13!) USER MOD Set 2.4: A 322 CYS SG : rot 149:sc= -3.76! USER MOD Single : A 295 ASN : amide:sc= -4.77! C(o=-4.8!,f=-3.8!) USER MOD Single : A 310 CYS SG : rot -136:sc= -0.219 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 180: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+ -115:sc= 0.169 (180deg=-0.0392) USER MOD Single : B 3 THR OG1 : rot -17:sc= 0.515! USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 THR OG1 : rot -150:sc= -0.3 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 295 1.148 0.583 -7.593 1.00 0.00 N ATOM 44 CA ASN A 295 0.288 1.739 -7.820 1.00 0.00 C ATOM 45 C ASN A 295 1.067 3.029 -7.598 1.00 0.00 C ATOM 46 O ASN A 295 2.286 3.002 -7.422 1.00 0.00 O ATOM 47 CB ASN A 295 -0.923 1.691 -6.885 1.00 0.00 C ATOM 48 CG ASN A 295 -1.962 0.677 -7.327 1.00 0.00 C ATOM 49 OD1 ASN A 295 -2.643 0.071 -6.501 1.00 0.00 O ATOM 50 ND2 ASN A 295 -2.093 0.492 -8.636 1.00 0.00 N ATOM 0 HA ASN A 295 -0.063 1.713 -8.852 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -0.589 1.447 -5.876 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -1.381 2.679 -6.839 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -2.779 -0.174 -8.991 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -1.507 1.016 -9.286 1.00 0.00 H new ATOM 57 N GLU A 296 0.368 4.159 -7.610 1.00 0.00 N ATOM 58 CA GLU A 296 1.016 5.446 -7.399 1.00 0.00 C ATOM 59 C GLU A 296 1.620 5.502 -5.999 1.00 0.00 C ATOM 60 O GLU A 296 0.896 5.600 -5.011 1.00 0.00 O ATOM 61 CB GLU A 296 0.015 6.586 -7.585 1.00 0.00 C ATOM 62 CG GLU A 296 0.662 7.955 -7.639 1.00 0.00 C ATOM 63 CD GLU A 296 1.558 8.132 -8.849 1.00 0.00 C ATOM 64 OE1 GLU A 296 1.048 8.557 -9.907 1.00 0.00 O ATOM 65 OE2 GLU A 296 2.768 7.845 -8.739 1.00 0.00 O ATOM 0 H GLU A 296 -0.639 4.209 -7.762 1.00 0.00 H new ATOM 0 HA GLU A 296 1.812 5.560 -8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -0.545 6.421 -8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -0.704 6.565 -6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -0.115 8.719 -7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 296 1.247 8.112 -6.733 1.00 0.00 H new ATOM 72 N ASP A 297 2.948 5.427 -5.924 1.00 0.00 N ATOM 73 CA ASP A 297 3.643 5.459 -4.638 1.00 0.00 C ATOM 74 C ASP A 297 3.335 6.747 -3.883 1.00 0.00 C ATOM 75 O ASP A 297 4.087 7.723 -3.961 1.00 0.00 O ATOM 76 CB ASP A 297 5.154 5.321 -4.835 1.00 0.00 C ATOM 77 CG ASP A 297 5.510 4.438 -6.015 1.00 0.00 C ATOM 78 OD1 ASP A 297 5.649 3.211 -5.821 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.652 4.977 -7.134 1.00 0.00 O ATOM 0 H ASP A 297 3.562 5.344 -6.734 1.00 0.00 H new ATOM 0 HA ASP A 297 3.286 4.615 -4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.589 6.310 -4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.598 4.908 -3.930 1.00 0.00 H new ATOM 84 N GLU A 298 2.222 6.736 -3.154 1.00 0.00 N ATOM 85 CA GLU A 298 1.786 7.885 -2.371 1.00 0.00 C ATOM 86 C GLU A 298 0.510 7.550 -1.607 1.00 0.00 C ATOM 87 O GLU A 298 -0.440 7.008 -2.172 1.00 0.00 O ATOM 88 CB GLU A 298 1.558 9.104 -3.265 1.00 0.00 C ATOM 89 CG GLU A 298 0.421 8.940 -4.260 1.00 0.00 C ATOM 90 CD GLU A 298 0.175 10.198 -5.073 1.00 0.00 C ATOM 91 OE1 GLU A 298 0.992 10.495 -5.969 1.00 0.00 O ATOM 92 OE2 GLU A 298 -0.832 10.887 -4.809 1.00 0.00 O ATOM 0 H GLU A 298 1.599 5.931 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 298 2.574 8.127 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 298 1.353 9.970 -2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 298 2.477 9.317 -3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 298 0.648 8.114 -4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -0.490 8.673 -3.725 1.00 0.00 H new ATOM 99 N CYS A 299 0.495 7.866 -0.317 1.00 0.00 N ATOM 100 CA CYS A 299 -0.664 7.592 0.522 1.00 0.00 C ATOM 101 C CYS A 299 -1.795 8.569 0.228 1.00 0.00 C ATOM 102 O CYS A 299 -1.747 9.732 0.625 1.00 0.00 O ATOM 103 CB CYS A 299 -0.268 7.665 1.990 1.00 0.00 C ATOM 104 SG CYS A 299 -1.667 7.777 3.146 1.00 0.00 S ATOM 0 H CYS A 299 1.272 8.312 0.170 1.00 0.00 H new ATOM 0 HA CYS A 299 -1.023 6.587 0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.322 6.783 2.238 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.377 8.531 2.136 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.399 8.654 4.067 1.00 0.00 H new ATOM 109 N ALA A 300 -2.827 8.072 -0.448 1.00 0.00 N ATOM 110 CA ALA A 300 -3.972 8.892 -0.832 1.00 0.00 C ATOM 111 C ALA A 300 -4.788 9.382 0.369 1.00 0.00 C ATOM 112 O ALA A 300 -5.862 9.956 0.188 1.00 0.00 O ATOM 113 CB ALA A 300 -4.867 8.118 -1.793 1.00 0.00 C ATOM 0 H ALA A 300 -2.894 7.098 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.575 9.780 -1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.719 8.737 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.300 7.853 -2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.223 7.210 -1.307 1.00 0.00 H new ATOM 119 N VAL A 301 -4.292 9.168 1.588 1.00 0.00 N ATOM 120 CA VAL A 301 -5.019 9.615 2.777 1.00 0.00 C ATOM 121 C VAL A 301 -4.344 10.812 3.452 1.00 0.00 C ATOM 122 O VAL A 301 -5.026 11.689 3.982 1.00 0.00 O ATOM 123 CB VAL A 301 -5.205 8.481 3.817 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.839 7.142 3.218 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.411 8.750 5.087 1.00 0.00 C ATOM 0 H VAL A 301 -3.407 8.697 1.777 1.00 0.00 H new ATOM 0 HA VAL A 301 -6.001 9.922 2.417 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.259 8.454 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -4.977 6.360 3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.479 6.941 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.797 7.159 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.566 7.934 5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.351 8.824 4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.747 9.685 5.535 1.00 0.00 H new ATOM 135 N CYS A 302 -3.010 10.855 3.437 1.00 0.00 N ATOM 136 CA CYS A 302 -2.298 11.952 4.090 1.00 0.00 C ATOM 137 C CYS A 302 -1.156 12.489 3.228 1.00 0.00 C ATOM 138 O CYS A 302 -0.319 13.260 3.697 1.00 0.00 O ATOM 139 CB CYS A 302 -1.789 11.514 5.472 1.00 0.00 C ATOM 140 SG CYS A 302 -0.282 10.485 5.459 1.00 0.00 S ATOM 0 H CYS A 302 -2.413 10.159 2.990 1.00 0.00 H new ATOM 0 HA CYS A 302 -3.006 12.770 4.223 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.595 12.405 6.069 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.582 10.961 5.974 1.00 0.00 H new ATOM 0 HG CYS A 302 0.738 11.205 5.820 1.00 0.00 H new ATOM 145 N ARG A 303 -1.140 12.078 1.964 1.00 0.00 N ATOM 146 CA ARG A 303 -0.132 12.524 1.002 1.00 0.00 C ATOM 147 C ARG A 303 1.296 12.420 1.544 1.00 0.00 C ATOM 148 O ARG A 303 2.140 13.264 1.243 1.00 0.00 O ATOM 149 CB ARG A 303 -0.419 13.967 0.575 1.00 0.00 C ATOM 150 CG ARG A 303 -1.789 14.156 -0.056 1.00 0.00 C ATOM 151 CD ARG A 303 -1.918 13.364 -1.345 1.00 0.00 C ATOM 152 NE ARG A 303 -3.292 13.342 -1.841 1.00 0.00 N ATOM 153 CZ ARG A 303 -3.766 12.406 -2.659 1.00 0.00 C ATOM 154 NH1 ARG A 303 -2.981 11.417 -3.066 1.00 0.00 N ATOM 155 NH2 ARG A 303 -5.026 12.458 -3.069 1.00 0.00 N ATOM 0 H ARG A 303 -1.823 11.428 1.576 1.00 0.00 H new ATOM 0 HA ARG A 303 -0.198 11.857 0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -0.337 14.617 1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.345 14.286 -0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.561 13.841 0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.955 15.214 -0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -1.266 13.798 -2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -1.577 12.342 -1.178 1.00 0.00 H new ATOM 0 HE ARG A 303 -3.923 14.086 -1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -2.012 11.373 -2.752 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -3.347 10.701 -3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -5.633 13.216 -2.757 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -5.388 11.740 -3.696 1.00 0.00 H new ATOM 169 N ASP A 304 1.567 11.388 2.337 1.00 0.00 N ATOM 170 CA ASP A 304 2.906 11.188 2.888 1.00 0.00 C ATOM 171 C ASP A 304 3.523 9.903 2.348 1.00 0.00 C ATOM 172 O ASP A 304 2.833 9.079 1.745 1.00 0.00 O ATOM 173 CB ASP A 304 2.870 11.150 4.418 1.00 0.00 C ATOM 174 CG ASP A 304 2.678 12.525 5.029 1.00 0.00 C ATOM 175 OD1 ASP A 304 3.656 13.300 5.064 1.00 0.00 O ATOM 176 OD2 ASP A 304 1.551 12.825 5.475 1.00 0.00 O ATOM 0 H ASP A 304 0.884 10.682 2.612 1.00 0.00 H new ATOM 0 HA ASP A 304 3.523 12.032 2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.061 10.495 4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 304 3.799 10.717 4.789 1.00 0.00 H new ATOM 181 N GLY A 305 4.825 9.738 2.562 1.00 0.00 N ATOM 182 CA GLY A 305 5.512 8.554 2.080 1.00 0.00 C ATOM 183 C GLY A 305 5.809 7.553 3.178 1.00 0.00 C ATOM 184 O GLY A 305 5.598 7.831 4.359 1.00 0.00 O ATOM 0 H GLY A 305 5.416 10.403 3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 305 4.903 8.074 1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.447 8.851 1.605 1.00 0.00 H new ATOM 188 N GLY A 306 6.311 6.388 2.782 1.00 0.00 N ATOM 189 CA GLY A 306 6.627 5.340 3.736 1.00 0.00 C ATOM 190 C GLY A 306 6.037 4.008 3.315 1.00 0.00 C ATOM 191 O GLY A 306 5.912 3.735 2.122 1.00 0.00 O ATOM 0 H GLY A 306 6.506 6.150 1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.709 5.246 3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.244 5.614 4.719 1.00 0.00 H new ATOM 195 N GLU A 307 5.674 3.175 4.284 1.00 0.00 N ATOM 196 CA GLU A 307 5.088 1.879 3.976 1.00 0.00 C ATOM 197 C GLU A 307 3.620 2.046 3.606 1.00 0.00 C ATOM 198 O GLU A 307 2.800 2.423 4.444 1.00 0.00 O ATOM 199 CB GLU A 307 5.224 0.941 5.177 1.00 0.00 C ATOM 200 CG GLU A 307 4.733 -0.474 4.910 1.00 0.00 C ATOM 201 CD GLU A 307 5.495 -1.160 3.793 1.00 0.00 C ATOM 202 OE1 GLU A 307 6.656 -1.559 4.025 1.00 0.00 O ATOM 203 OE2 GLU A 307 4.931 -1.299 2.688 1.00 0.00 O ATOM 0 H GLU A 307 5.774 3.372 5.280 1.00 0.00 H new ATOM 0 HA GLU A 307 5.619 1.444 3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.271 0.901 5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.666 1.357 6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.825 -1.064 5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 307 3.674 -0.444 4.656 1.00 0.00 H new ATOM 210 N LEU A 308 3.291 1.767 2.348 1.00 0.00 N ATOM 211 CA LEU A 308 1.915 1.889 1.887 1.00 0.00 C ATOM 212 C LEU A 308 1.433 0.588 1.266 1.00 0.00 C ATOM 213 O LEU A 308 2.233 -0.245 0.847 1.00 0.00 O ATOM 214 CB LEU A 308 1.763 3.015 0.860 1.00 0.00 C ATOM 215 CG LEU A 308 2.787 4.139 0.933 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.697 4.998 -0.318 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.545 4.980 2.169 1.00 0.00 C ATOM 0 H LEU A 308 3.953 1.458 1.636 1.00 0.00 H new ATOM 0 HA LEU A 308 1.309 2.124 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.807 2.577 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.770 3.449 0.974 1.00 0.00 H new ATOM 0 HG LEU A 308 3.787 3.710 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.432 5.801 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.897 4.384 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.697 5.425 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.282 5.782 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.544 5.409 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.635 4.355 3.058 1.00 0.00 H new ATOM 229 N ILE A 309 0.118 0.434 1.209 1.00 0.00 N ATOM 230 CA ILE A 309 -0.506 -0.747 0.635 1.00 0.00 C ATOM 231 C ILE A 309 -1.326 -0.372 -0.588 1.00 0.00 C ATOM 232 O ILE A 309 -2.311 0.359 -0.493 1.00 0.00 O ATOM 233 CB ILE A 309 -1.412 -1.453 1.655 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.262 -2.526 0.971 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.294 -0.446 2.363 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.087 -3.345 1.936 1.00 0.00 C ATOM 0 H ILE A 309 -0.545 1.125 1.560 1.00 0.00 H new ATOM 0 HA ILE A 309 0.292 -1.430 0.346 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.780 -1.941 2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -2.927 -2.048 0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.608 -3.192 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -2.930 -0.962 3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.671 0.280 2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -2.917 0.069 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.664 -4.086 1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.427 -3.851 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.766 -2.690 2.482 1.00 0.00 H new ATOM 248 N CYS A 310 -0.916 -0.886 -1.733 1.00 0.00 N ATOM 249 CA CYS A 310 -1.590 -0.600 -2.985 1.00 0.00 C ATOM 250 C CYS A 310 -2.959 -1.271 -3.061 1.00 0.00 C ATOM 251 O CYS A 310 -3.149 -2.386 -2.574 1.00 0.00 O ATOM 252 CB CYS A 310 -0.718 -1.053 -4.145 1.00 0.00 C ATOM 253 SG CYS A 310 0.854 -0.169 -4.271 1.00 0.00 S ATOM 0 H CYS A 310 -0.113 -1.509 -1.821 1.00 0.00 H new ATOM 0 HA CYS A 310 -1.753 0.476 -3.043 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.516 -2.119 -4.040 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -1.272 -0.923 -5.075 1.00 0.00 H new ATOM 0 HG CYS A 310 1.076 0.147 -5.512 1.00 0.00 H new ATOM 259 N CYS A 311 -3.904 -0.575 -3.687 1.00 0.00 N ATOM 260 CA CYS A 311 -5.267 -1.070 -3.849 1.00 0.00 C ATOM 261 C CYS A 311 -5.450 -1.726 -5.217 1.00 0.00 C ATOM 262 O CYS A 311 -5.043 -1.176 -6.240 1.00 0.00 O ATOM 263 CB CYS A 311 -6.253 0.089 -3.681 1.00 0.00 C ATOM 264 SG CYS A 311 -7.997 -0.344 -3.980 1.00 0.00 S ATOM 0 H CYS A 311 -3.747 0.346 -4.095 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.460 -1.824 -3.086 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.159 0.484 -2.669 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -5.970 0.890 -4.363 1.00 0.00 H new ATOM 0 HG CYS A 311 -8.766 0.556 -3.442 1.00 0.00 H new ATOM 269 N ASP A 312 -6.066 -2.907 -5.226 1.00 0.00 N ATOM 270 CA ASP A 312 -6.304 -3.644 -6.465 1.00 0.00 C ATOM 271 C ASP A 312 -7.488 -3.066 -7.233 1.00 0.00 C ATOM 272 O ASP A 312 -7.874 -3.587 -8.280 1.00 0.00 O ATOM 273 CB ASP A 312 -6.558 -5.122 -6.163 1.00 0.00 C ATOM 274 CG ASP A 312 -5.277 -5.898 -5.936 1.00 0.00 C ATOM 275 OD1 ASP A 312 -4.679 -5.754 -4.850 1.00 0.00 O ATOM 276 OD2 ASP A 312 -4.876 -6.654 -6.846 1.00 0.00 O ATOM 0 H ASP A 312 -6.410 -3.374 -4.387 1.00 0.00 H new ATOM 0 HA ASP A 312 -5.412 -3.549 -7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -7.190 -5.205 -5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -7.108 -5.569 -6.991 1.00 0.00 H new ATOM 281 N GLY A 313 -8.060 -1.989 -6.707 1.00 0.00 N ATOM 282 CA GLY A 313 -9.196 -1.361 -7.356 1.00 0.00 C ATOM 283 C GLY A 313 -8.851 -0.017 -7.964 1.00 0.00 C ATOM 284 O GLY A 313 -9.505 0.432 -8.906 1.00 0.00 O ATOM 0 H GLY A 313 -7.758 -1.539 -5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -9.575 -2.022 -8.136 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -9.999 -1.232 -6.630 1.00 0.00 H new ATOM 288 N CYS A 314 -7.821 0.629 -7.425 1.00 0.00 N ATOM 289 CA CYS A 314 -7.394 1.932 -7.923 1.00 0.00 C ATOM 290 C CYS A 314 -5.895 2.142 -7.702 1.00 0.00 C ATOM 291 O CYS A 314 -5.272 1.430 -6.913 1.00 0.00 O ATOM 292 CB CYS A 314 -8.190 3.045 -7.238 1.00 0.00 C ATOM 293 SG CYS A 314 -7.928 3.153 -5.441 1.00 0.00 S ATOM 0 H CYS A 314 -7.268 0.272 -6.646 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.586 1.965 -8.995 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -7.922 4.000 -7.691 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -9.251 2.888 -7.430 1.00 0.00 H new ATOM 0 HG CYS A 314 -7.972 1.961 -4.924 1.00 0.00 H new ATOM 298 N PRO A 315 -5.295 3.113 -8.422 1.00 0.00 N ATOM 299 CA PRO A 315 -3.861 3.433 -8.318 1.00 0.00 C ATOM 300 C PRO A 315 -3.485 4.143 -7.017 1.00 0.00 C ATOM 301 O PRO A 315 -2.710 5.101 -7.034 1.00 0.00 O ATOM 302 CB PRO A 315 -3.617 4.391 -9.495 1.00 0.00 C ATOM 303 CG PRO A 315 -4.835 4.301 -10.351 1.00 0.00 C ATOM 304 CD PRO A 315 -5.960 3.958 -9.424 1.00 0.00 C ATOM 0 HA PRO A 315 -3.265 2.521 -8.333 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.461 5.411 -9.143 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.725 4.106 -10.053 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -5.024 5.245 -10.863 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -4.716 3.539 -11.121 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.403 4.847 -8.976 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.762 3.426 -9.937 1.00 0.00 H new ATOM 312 N ARG A 316 -4.011 3.673 -5.892 1.00 0.00 N ATOM 313 CA ARG A 316 -3.718 4.297 -4.607 1.00 0.00 C ATOM 314 C ARG A 316 -2.911 3.384 -3.692 1.00 0.00 C ATOM 315 O ARG A 316 -2.619 2.235 -4.025 1.00 0.00 O ATOM 316 CB ARG A 316 -5.014 4.693 -3.905 1.00 0.00 C ATOM 317 CG ARG A 316 -5.681 5.916 -4.503 1.00 0.00 C ATOM 318 CD ARG A 316 -6.990 6.217 -3.795 1.00 0.00 C ATOM 319 NE ARG A 316 -7.559 7.498 -4.206 1.00 0.00 N ATOM 320 CZ ARG A 316 -8.746 7.943 -3.803 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.491 7.211 -2.985 1.00 0.00 N ATOM 322 NH2 ARG A 316 -9.191 9.120 -4.221 1.00 0.00 N ATOM 0 H ARG A 316 -4.637 2.869 -5.843 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.117 5.183 -4.814 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.709 3.855 -3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.804 4.883 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.014 6.775 -4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.866 5.752 -5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.705 5.421 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -6.825 6.224 -2.718 1.00 0.00 H new ATOM 0 HE ARG A 316 -7.015 8.085 -4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -9.154 6.304 -2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.401 7.556 -2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -8.623 9.685 -4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -10.101 9.460 -3.911 1.00 0.00 H new ATOM 336 N ALA A 317 -2.558 3.929 -2.535 1.00 0.00 N ATOM 337 CA ALA A 317 -1.793 3.216 -1.523 1.00 0.00 C ATOM 338 C ALA A 317 -2.129 3.793 -0.142 1.00 0.00 C ATOM 339 O ALA A 317 -2.366 4.995 -0.022 1.00 0.00 O ATOM 340 CB ALA A 317 -0.305 3.335 -1.810 1.00 0.00 C ATOM 0 H ALA A 317 -2.797 4.885 -2.272 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.055 2.158 -1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.257 2.798 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.088 2.907 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.016 4.386 -1.801 1.00 0.00 H new ATOM 346 N PHE A 318 -2.161 2.956 0.896 1.00 0.00 N ATOM 347 CA PHE A 318 -2.503 3.438 2.242 1.00 0.00 C ATOM 348 C PHE A 318 -1.435 3.083 3.287 1.00 0.00 C ATOM 349 O PHE A 318 -0.777 2.056 3.198 1.00 0.00 O ATOM 350 CB PHE A 318 -3.866 2.867 2.662 1.00 0.00 C ATOM 351 CG PHE A 318 -5.030 3.452 1.920 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.204 3.193 0.579 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.955 4.251 2.570 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.276 3.717 -0.109 1.00 0.00 C ATOM 355 CE2 PHE A 318 -7.032 4.782 1.888 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.193 4.515 0.544 1.00 0.00 C ATOM 0 H PHE A 318 -1.959 1.958 0.837 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.551 4.526 2.197 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.858 1.788 2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -4.006 3.038 3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.490 2.571 0.060 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.833 4.461 3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.399 3.503 -1.160 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.747 5.405 2.405 1.00 0.00 H new ATOM 0 HZ PHE A 318 -8.033 4.929 0.006 1.00 0.00 H new ATOM 366 N HIS A 319 -1.281 3.951 4.290 1.00 0.00 N ATOM 367 CA HIS A 319 -0.295 3.744 5.360 1.00 0.00 C ATOM 368 C HIS A 319 -0.770 2.714 6.380 1.00 0.00 C ATOM 369 O HIS A 319 -0.484 2.853 7.569 1.00 0.00 O ATOM 370 CB HIS A 319 -0.042 5.052 6.105 1.00 0.00 C ATOM 371 CG HIS A 319 1.121 5.850 5.629 1.00 0.00 C ATOM 372 ND1 HIS A 319 1.001 7.176 5.295 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.428 5.534 5.477 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.188 7.651 4.961 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.071 6.674 5.063 1.00 0.00 N ATOM 0 H HIS A 319 -1.827 4.807 4.386 1.00 0.00 H new ATOM 0 HA HIS A 319 0.616 3.384 4.882 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -0.937 5.669 6.032 1.00 0.00 H new ATOM 0 HB3 HIS A 319 0.104 4.825 7.161 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.880 4.568 5.649 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.400 8.665 4.657 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.069 6.754 4.866 1.00 0.00 H new ATOM 383 N LEU A 320 -1.496 1.696 5.930 1.00 0.00 N ATOM 384 CA LEU A 320 -1.999 0.663 6.832 1.00 0.00 C ATOM 385 C LEU A 320 -2.987 1.255 7.827 1.00 0.00 C ATOM 386 O LEU A 320 -4.199 1.102 7.685 1.00 0.00 O ATOM 387 CB LEU A 320 -0.847 0.002 7.588 1.00 0.00 C ATOM 388 CG LEU A 320 0.235 -0.651 6.725 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.717 -1.927 7.367 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.284 -0.934 5.329 1.00 0.00 C ATOM 0 H LEU A 320 -1.749 1.563 4.951 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.508 -0.090 6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.375 0.754 8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.262 -0.757 8.251 1.00 0.00 H new ATOM 0 HG LEU A 320 1.071 0.044 6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.486 -2.381 6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 320 1.132 -1.705 8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.118 -2.619 7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.504 -1.398 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.139 -1.608 5.388 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.591 0.000 4.858 1.00 0.00 H new ATOM 402 N ALA A 321 -2.451 1.929 8.838 1.00 0.00 N ATOM 403 CA ALA A 321 -3.266 2.563 9.860 1.00 0.00 C ATOM 404 C ALA A 321 -3.962 3.802 9.312 1.00 0.00 C ATOM 405 O ALA A 321 -4.906 4.311 9.915 1.00 0.00 O ATOM 406 CB ALA A 321 -2.406 2.916 11.062 1.00 0.00 C ATOM 0 H ALA A 321 -1.447 2.049 8.970 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.038 1.861 10.174 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.024 3.391 11.824 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -1.960 2.009 11.470 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.616 3.602 10.756 1.00 0.00 H new ATOM 412 N CYS A 322 -3.491 4.284 8.161 1.00 0.00 N ATOM 413 CA CYS A 322 -4.099 5.464 7.532 1.00 0.00 C ATOM 414 C CYS A 322 -5.457 5.097 6.952 1.00 0.00 C ATOM 415 O CYS A 322 -6.189 5.947 6.446 1.00 0.00 O ATOM 416 CB CYS A 322 -3.201 6.043 6.432 1.00 0.00 C ATOM 417 SG CYS A 322 -2.137 7.429 6.984 1.00 0.00 S ATOM 0 H CYS A 322 -2.703 3.885 7.650 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.222 6.228 8.300 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.568 5.248 6.039 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.828 6.386 5.609 1.00 0.00 H new ATOM 0 HG CYS A 322 -1.027 7.420 6.307 1.00 0.00 H new ATOM 422 N LEU A 323 -5.774 3.814 7.037 1.00 0.00 N ATOM 423 CA LEU A 323 -7.032 3.279 6.538 1.00 0.00 C ATOM 424 C LEU A 323 -8.132 3.422 7.575 1.00 0.00 C ATOM 425 O LEU A 323 -7.841 3.551 8.765 1.00 0.00 O ATOM 426 CB LEU A 323 -6.853 1.795 6.222 1.00 0.00 C ATOM 427 CG LEU A 323 -6.306 1.484 4.848 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.645 0.115 4.842 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.426 1.551 3.832 1.00 0.00 C ATOM 0 H LEU A 323 -5.164 3.112 7.456 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.313 3.835 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.186 1.361 6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.818 1.299 6.331 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.549 2.222 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.255 -0.097 3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -4.827 0.103 5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.378 -0.644 5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.032 1.327 2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.195 0.823 4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.858 2.552 3.833 1.00 0.00 H new ATOM 441 N SER A 324 -9.394 3.416 7.137 1.00 0.00 N ATOM 442 CA SER A 324 -10.488 3.485 8.098 1.00 0.00 C ATOM 443 C SER A 324 -10.248 2.370 9.110 1.00 0.00 C ATOM 444 O SER A 324 -10.209 2.617 10.316 1.00 0.00 O ATOM 445 CB SER A 324 -11.865 3.377 7.426 1.00 0.00 C ATOM 446 OG SER A 324 -12.888 3.189 8.389 1.00 0.00 O ATOM 0 H SER A 324 -9.674 3.366 6.157 1.00 0.00 H new ATOM 0 HA SER A 324 -10.501 4.456 8.593 1.00 0.00 H new ATOM 0 HB2 SER A 324 -12.064 4.281 6.850 1.00 0.00 H new ATOM 0 HB3 SER A 324 -11.866 2.544 6.722 1.00 0.00 H new ATOM 0 HG SER A 324 -13.755 3.125 7.937 1.00 0.00 H new ATOM 452 N PRO A 325 -10.077 1.114 8.631 1.00 0.00 N ATOM 453 CA PRO A 325 -9.721 -0.004 9.464 1.00 0.00 C ATOM 454 C PRO A 325 -8.233 -0.274 9.276 1.00 0.00 C ATOM 455 O PRO A 325 -7.783 -0.510 8.154 1.00 0.00 O ATOM 456 CB PRO A 325 -10.567 -1.125 8.891 1.00 0.00 C ATOM 457 CG PRO A 325 -10.742 -0.785 7.438 1.00 0.00 C ATOM 458 CD PRO A 325 -10.269 0.644 7.248 1.00 0.00 C ATOM 0 HA PRO A 325 -9.890 0.134 10.532 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.076 -2.090 9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.529 -1.191 9.399 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.166 -1.467 6.812 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -11.786 -0.886 7.143 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.344 0.690 6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.005 1.246 6.715 1.00 0.00 H new ATOM 466 N PRO A 326 -7.443 -0.257 10.347 1.00 0.00 N ATOM 467 CA PRO A 326 -6.003 -0.424 10.237 1.00 0.00 C ATOM 468 C PRO A 326 -5.569 -1.861 10.049 1.00 0.00 C ATOM 469 O PRO A 326 -6.055 -2.777 10.713 1.00 0.00 O ATOM 470 CB PRO A 326 -5.500 0.146 11.543 1.00 0.00 C ATOM 471 CG PRO A 326 -6.573 -0.186 12.516 1.00 0.00 C ATOM 472 CD PRO A 326 -7.875 -0.133 11.747 1.00 0.00 C ATOM 0 HA PRO A 326 -5.601 0.072 9.353 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -4.547 -0.298 11.832 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.342 1.222 11.474 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.415 -1.175 12.946 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.581 0.524 13.343 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.546 -0.942 12.035 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.409 0.801 11.923 1.00 0.00 H new ATOM 480 N LEU A 327 -4.643 -2.030 9.124 1.00 0.00 N ATOM 481 CA LEU A 327 -4.101 -3.330 8.792 1.00 0.00 C ATOM 482 C LEU A 327 -3.031 -3.754 9.780 1.00 0.00 C ATOM 483 O LEU A 327 -1.839 -3.636 9.496 1.00 0.00 O ATOM 484 CB LEU A 327 -3.508 -3.290 7.393 1.00 0.00 C ATOM 485 CG LEU A 327 -4.398 -2.642 6.353 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.666 -2.509 5.044 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.661 -3.449 6.180 1.00 0.00 C ATOM 0 H LEU A 327 -4.245 -1.264 8.580 1.00 0.00 H new ATOM 0 HA LEU A 327 -4.913 -4.056 8.837 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.561 -2.752 7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.284 -4.309 7.077 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.669 -1.642 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.320 -2.042 4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -2.778 -1.892 5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.370 -3.497 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.295 -2.976 5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.407 -4.458 5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.195 -3.497 7.129 1.00 0.00 H new ATOM 499 N ARG A 328 -3.454 -4.230 10.947 1.00 0.00 N ATOM 500 CA ARG A 328 -2.508 -4.709 11.945 1.00 0.00 C ATOM 501 C ARG A 328 -1.534 -5.658 11.266 1.00 0.00 C ATOM 502 O ARG A 328 -0.401 -5.848 11.707 1.00 0.00 O ATOM 503 CB ARG A 328 -3.241 -5.435 13.070 1.00 0.00 C ATOM 504 CG ARG A 328 -4.200 -4.556 13.841 1.00 0.00 C ATOM 505 CD ARG A 328 -4.946 -5.346 14.904 1.00 0.00 C ATOM 506 NE ARG A 328 -5.779 -4.487 15.741 1.00 0.00 N ATOM 507 CZ ARG A 328 -6.371 -4.898 16.859 1.00 0.00 C ATOM 508 NH1 ARG A 328 -6.226 -6.150 17.271 1.00 0.00 N ATOM 509 NH2 ARG A 328 -7.109 -4.055 17.568 1.00 0.00 N ATOM 0 H ARG A 328 -4.434 -4.294 11.222 1.00 0.00 H new ATOM 0 HA ARG A 328 -1.972 -3.864 12.378 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -3.792 -6.276 12.649 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -2.507 -5.849 13.761 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -3.650 -3.740 14.311 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -4.915 -4.104 13.153 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -5.570 -6.100 14.424 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -4.229 -5.877 15.530 1.00 0.00 H new ATOM 0 HE ARG A 328 -5.914 -3.518 15.452 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -5.659 -6.802 16.730 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -6.682 -6.461 18.129 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -7.223 -3.091 17.256 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -7.563 -4.371 18.425 1.00 0.00 H new ATOM 523 N GLU A 329 -2.015 -6.231 10.167 1.00 0.00 N ATOM 524 CA GLU A 329 -1.254 -7.163 9.350 1.00 0.00 C ATOM 525 C GLU A 329 -1.783 -7.116 7.925 1.00 0.00 C ATOM 526 O GLU A 329 -2.962 -7.377 7.678 1.00 0.00 O ATOM 527 CB GLU A 329 -1.357 -8.592 9.894 1.00 0.00 C ATOM 528 CG GLU A 329 -0.858 -8.752 11.320 1.00 0.00 C ATOM 529 CD GLU A 329 0.652 -8.648 11.426 1.00 0.00 C ATOM 530 OE1 GLU A 329 1.350 -9.343 10.659 1.00 0.00 O ATOM 531 OE2 GLU A 329 1.137 -7.872 12.276 1.00 0.00 O ATOM 0 H GLU A 329 -2.957 -6.057 9.816 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.204 -6.871 9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -2.398 -8.913 9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.788 -9.258 9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -1.316 -7.988 11.949 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -1.180 -9.719 11.707 1.00 0.00 H new ATOM 538 N ILE A 330 -0.904 -6.778 6.996 1.00 0.00 N ATOM 539 CA ILE A 330 -1.263 -6.660 5.596 1.00 0.00 C ATOM 540 C ILE A 330 -2.099 -7.832 5.077 1.00 0.00 C ATOM 541 O ILE A 330 -1.814 -8.998 5.357 1.00 0.00 O ATOM 542 CB ILE A 330 -0.001 -6.479 4.732 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.570 -5.077 4.969 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.316 -6.700 3.258 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.449 -3.988 4.791 1.00 0.00 C ATOM 0 H ILE A 330 0.077 -6.578 7.193 1.00 0.00 H new ATOM 0 HA ILE A 330 -1.894 -5.775 5.517 1.00 0.00 H new ATOM 0 HB ILE A 330 0.743 -7.222 5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.978 -5.023 5.978 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.398 -4.907 4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.591 -6.567 2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.697 -7.711 3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.068 -5.980 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.018 -3.020 4.973 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.839 -4.018 3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.266 -4.135 5.497 1.00 0.00 H new ATOM 557 N PRO A 331 -3.155 -7.501 4.302 1.00 0.00 N ATOM 558 CA PRO A 331 -4.074 -8.478 3.700 1.00 0.00 C ATOM 559 C PRO A 331 -3.349 -9.609 2.978 1.00 0.00 C ATOM 560 O PRO A 331 -2.167 -9.491 2.647 1.00 0.00 O ATOM 561 CB PRO A 331 -4.852 -7.644 2.691 1.00 0.00 C ATOM 562 CG PRO A 331 -4.844 -6.274 3.260 1.00 0.00 C ATOM 563 CD PRO A 331 -3.537 -6.119 3.961 1.00 0.00 C ATOM 0 HA PRO A 331 -4.688 -8.968 4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.381 -7.669 1.708 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -5.869 -8.017 2.567 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -4.955 -5.526 2.475 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.675 -6.136 3.952 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -2.793 -5.645 3.321 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.632 -5.499 4.852 1.00 0.00 H new ATOM 571 N SER A 332 -4.077 -10.690 2.713 1.00 0.00 N ATOM 572 CA SER A 332 -3.513 -11.846 2.027 1.00 0.00 C ATOM 573 C SER A 332 -4.013 -11.915 0.589 1.00 0.00 C ATOM 574 O SER A 332 -5.117 -12.391 0.327 1.00 0.00 O ATOM 575 CB SER A 332 -3.869 -13.128 2.768 1.00 0.00 C ATOM 576 OG SER A 332 -3.618 -14.270 1.966 1.00 0.00 O ATOM 0 H SER A 332 -5.061 -10.789 2.964 1.00 0.00 H new ATOM 0 HA SER A 332 -2.428 -11.738 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 332 -3.289 -13.192 3.689 1.00 0.00 H new ATOM 0 HB3 SER A 332 -4.920 -13.106 3.055 1.00 0.00 H new ATOM 0 HG SER A 332 -3.854 -15.079 2.466 1.00 0.00 H new ATOM 582 N GLY A 333 -3.191 -11.436 -0.341 1.00 0.00 N ATOM 583 CA GLY A 333 -3.570 -11.443 -1.741 1.00 0.00 C ATOM 584 C GLY A 333 -4.134 -10.107 -2.183 1.00 0.00 C ATOM 585 O GLY A 333 -3.538 -9.061 -1.927 1.00 0.00 O ATOM 0 H GLY A 333 -2.269 -11.043 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -2.701 -11.689 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -4.311 -12.224 -1.912 1.00 0.00 H new ATOM 589 N THR A 334 -5.287 -10.142 -2.846 1.00 0.00 N ATOM 590 CA THR A 334 -5.932 -8.924 -3.319 1.00 0.00 C ATOM 591 C THR A 334 -6.485 -8.113 -2.152 1.00 0.00 C ATOM 592 O THR A 334 -6.806 -8.665 -1.099 1.00 0.00 O ATOM 593 CB THR A 334 -7.076 -9.237 -4.303 1.00 0.00 C ATOM 594 OG1 THR A 334 -8.095 -9.997 -3.643 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.557 -10.012 -5.504 1.00 0.00 C ATOM 0 H THR A 334 -5.792 -11.000 -3.067 1.00 0.00 H new ATOM 0 HA THR A 334 -5.171 -8.341 -3.838 1.00 0.00 H new ATOM 0 HB THR A 334 -7.496 -8.293 -4.652 1.00 0.00 H new ATOM 0 HG1 THR A 334 -8.819 -10.191 -4.274 1.00 0.00 H new ATOM 0 HG21 THR A 334 -7.381 -10.222 -6.185 1.00 0.00 H new ATOM 0 HG22 THR A 334 -5.801 -9.420 -6.020 1.00 0.00 H new ATOM 0 HG23 THR A 334 -6.116 -10.950 -5.168 1.00 0.00 H new ATOM 603 N TRP A 335 -6.598 -6.802 -2.346 1.00 0.00 N ATOM 604 CA TRP A 335 -7.109 -5.919 -1.305 1.00 0.00 C ATOM 605 C TRP A 335 -7.569 -4.587 -1.886 1.00 0.00 C ATOM 606 O TRP A 335 -6.824 -3.920 -2.602 1.00 0.00 O ATOM 607 CB TRP A 335 -6.037 -5.678 -0.239 1.00 0.00 C ATOM 608 CG TRP A 335 -6.362 -4.549 0.689 1.00 0.00 C ATOM 609 CD1 TRP A 335 -7.027 -4.634 1.880 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.044 -3.164 0.503 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.122 -3.391 2.454 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.534 -2.472 1.625 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.389 -2.441 -0.502 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.388 -1.098 1.770 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.249 -1.075 -0.354 1.00 0.00 C ATOM 616 CH2 TRP A 335 -5.745 -0.417 0.776 1.00 0.00 C ATOM 0 H TRP A 335 -6.343 -6.329 -3.213 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.969 -6.407 -0.847 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.903 -6.590 0.343 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.086 -5.472 -0.731 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.420 -5.545 2.307 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.559 -3.185 3.352 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.001 -2.942 -1.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -6.770 -0.585 2.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -4.748 -0.506 -1.123 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -5.617 0.652 0.864 1.00 0.00 H new ATOM 627 N ARG A 336 -8.806 -4.212 -1.579 1.00 0.00 N ATOM 628 CA ARG A 336 -9.364 -2.956 -2.048 1.00 0.00 C ATOM 629 C ARG A 336 -9.297 -1.887 -0.969 1.00 0.00 C ATOM 630 O ARG A 336 -8.873 -2.146 0.152 1.00 0.00 O ATOM 631 CB ARG A 336 -10.811 -3.163 -2.446 1.00 0.00 C ATOM 632 CG ARG A 336 -11.007 -4.293 -3.424 1.00 0.00 C ATOM 633 CD ARG A 336 -12.396 -4.231 -3.995 1.00 0.00 C ATOM 634 NE ARG A 336 -12.705 -5.387 -4.833 1.00 0.00 N ATOM 635 CZ ARG A 336 -12.641 -5.376 -6.161 1.00 0.00 C ATOM 636 NH1 ARG A 336 -12.278 -4.273 -6.802 1.00 0.00 N ATOM 637 NH2 ARG A 336 -12.938 -6.470 -6.849 1.00 0.00 N ATOM 0 H ARG A 336 -9.441 -4.765 -1.004 1.00 0.00 H new ATOM 0 HA ARG A 336 -8.778 -2.624 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.402 -3.360 -1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.195 -2.242 -2.885 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -10.271 -4.226 -4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.850 -5.250 -2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -13.118 -4.172 -3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -12.504 -3.320 -4.583 1.00 0.00 H new ATOM 0 HE ARG A 336 -12.986 -6.253 -4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -12.047 -3.430 -6.276 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -12.230 -4.268 -7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -13.216 -7.321 -6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -12.889 -6.461 -7.868 1.00 0.00 H new ATOM 651 N CYS A 337 -9.751 -0.693 -1.313 1.00 0.00 N ATOM 652 CA CYS A 337 -9.755 0.424 -0.374 1.00 0.00 C ATOM 653 C CYS A 337 -11.188 0.803 -0.049 1.00 0.00 C ATOM 654 O CYS A 337 -12.101 0.413 -0.764 1.00 0.00 O ATOM 655 CB CYS A 337 -9.010 1.627 -0.950 1.00 0.00 C ATOM 656 SG CYS A 337 -9.897 2.467 -2.297 1.00 0.00 S ATOM 0 H CYS A 337 -10.123 -0.469 -2.236 1.00 0.00 H new ATOM 0 HA CYS A 337 -9.242 0.117 0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.822 2.343 -0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -8.038 1.298 -1.318 1.00 0.00 H new ATOM 0 HG CYS A 337 -9.095 2.635 -3.306 1.00 0.00 H new ATOM 661 N SER A 338 -11.378 1.572 1.016 1.00 0.00 N ATOM 662 CA SER A 338 -12.721 1.974 1.438 1.00 0.00 C ATOM 663 C SER A 338 -13.637 2.296 0.253 1.00 0.00 C ATOM 664 O SER A 338 -14.792 1.878 0.229 1.00 0.00 O ATOM 665 CB SER A 338 -12.652 3.177 2.373 1.00 0.00 C ATOM 666 OG SER A 338 -11.775 2.932 3.459 1.00 0.00 O ATOM 0 H SER A 338 -10.625 1.930 1.603 1.00 0.00 H new ATOM 0 HA SER A 338 -13.150 1.122 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 338 -12.313 4.053 1.819 1.00 0.00 H new ATOM 0 HB3 SER A 338 -13.649 3.405 2.751 1.00 0.00 H new ATOM 0 HG SER A 338 -11.748 3.719 4.042 1.00 0.00 H new ATOM 672 N SER A 339 -13.120 3.035 -0.726 1.00 0.00 N ATOM 673 CA SER A 339 -13.907 3.416 -1.898 1.00 0.00 C ATOM 674 C SER A 339 -14.278 2.214 -2.772 1.00 0.00 C ATOM 675 O SER A 339 -15.460 1.885 -2.929 1.00 0.00 O ATOM 676 CB SER A 339 -13.135 4.434 -2.720 1.00 0.00 C ATOM 677 OG SER A 339 -13.870 4.839 -3.861 1.00 0.00 O ATOM 0 H SER A 339 -12.161 3.382 -0.732 1.00 0.00 H new ATOM 0 HA SER A 339 -14.839 3.851 -1.538 1.00 0.00 H new ATOM 0 HB2 SER A 339 -12.907 5.304 -2.104 1.00 0.00 H new ATOM 0 HB3 SER A 339 -12.182 4.006 -3.032 1.00 0.00 H new ATOM 0 HG SER A 339 -13.349 5.495 -4.370 1.00 0.00 H new ATOM 683 N CYS A 340 -13.265 1.561 -3.338 1.00 0.00 N ATOM 684 CA CYS A 340 -13.479 0.413 -4.201 1.00 0.00 C ATOM 685 C CYS A 340 -14.242 -0.666 -3.451 1.00 0.00 C ATOM 686 O CYS A 340 -14.800 -1.587 -4.044 1.00 0.00 O ATOM 687 CB CYS A 340 -12.140 -0.134 -4.693 1.00 0.00 C ATOM 688 SG CYS A 340 -11.116 1.080 -5.590 1.00 0.00 S ATOM 0 H CYS A 340 -12.285 1.813 -3.210 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.067 0.726 -5.064 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.576 -0.505 -3.837 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.327 -0.987 -5.346 1.00 0.00 H new ATOM 0 HG CYS A 340 -10.476 1.823 -4.736 1.00 0.00 H new ATOM 693 N LEU A 341 -14.253 -0.529 -2.134 1.00 0.00 N ATOM 694 CA LEU A 341 -14.936 -1.458 -1.260 1.00 0.00 C ATOM 695 C LEU A 341 -16.441 -1.272 -1.349 1.00 0.00 C ATOM 696 O LEU A 341 -17.190 -2.241 -1.475 1.00 0.00 O ATOM 697 CB LEU A 341 -14.442 -1.266 0.166 1.00 0.00 C ATOM 698 CG LEU A 341 -13.152 -2.010 0.500 1.00 0.00 C ATOM 699 CD1 LEU A 341 -12.672 -1.664 1.893 1.00 0.00 C ATOM 700 CD2 LEU A 341 -13.359 -3.503 0.348 1.00 0.00 C ATOM 0 H LEU A 341 -13.786 0.234 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.714 -2.478 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -14.287 -0.202 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -15.222 -1.593 0.853 1.00 0.00 H new ATOM 0 HG LEU A 341 -12.378 -1.696 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -11.751 -2.207 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -12.484 -0.592 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -13.434 -1.943 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -12.433 -4.025 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -14.147 -3.832 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -13.646 -3.728 -0.679 1.00 0.00 H new ATOM 803 N ALA B 1 -1.494 -8.100 0.121 1.00 0.00 N ATOM 804 CA ALA B 1 -1.681 -6.908 -0.750 1.00 0.00 C ATOM 805 C ALA B 1 -0.340 -6.319 -1.188 1.00 0.00 C ATOM 806 O ALA B 1 0.692 -6.563 -0.562 1.00 0.00 O ATOM 807 CB ALA B 1 -2.524 -5.859 -0.037 1.00 0.00 C ATOM 0 H1 ALA B 1 -1.865 -8.944 -0.361 1.00 0.00 H new ATOM 0 H2 ALA B 1 -0.481 -8.231 0.317 1.00 0.00 H new ATOM 0 H3 ALA B 1 -2.005 -7.960 1.016 1.00 0.00 H new ATOM 0 HA ALA B 1 -2.208 -7.228 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -2.652 -4.993 -0.686 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.500 -6.279 0.205 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.023 -5.553 0.882 1.00 0.00 H new ATOM 815 N ARG B 2 -0.371 -5.544 -2.274 1.00 0.00 N ATOM 816 CA ARG B 2 0.836 -4.924 -2.826 1.00 0.00 C ATOM 817 C ARG B 2 1.316 -3.756 -1.972 1.00 0.00 C ATOM 818 O ARG B 2 1.205 -2.600 -2.376 1.00 0.00 O ATOM 819 CB ARG B 2 0.577 -4.430 -4.256 1.00 0.00 C ATOM 820 CG ARG B 2 0.588 -5.535 -5.304 1.00 0.00 C ATOM 821 CD ARG B 2 -0.532 -6.537 -5.079 1.00 0.00 C ATOM 822 NE ARG B 2 -0.548 -7.577 -6.105 1.00 0.00 N ATOM 823 CZ ARG B 2 -1.631 -8.275 -6.426 1.00 0.00 C ATOM 824 NH1 ARG B 2 -2.774 -8.055 -5.792 1.00 0.00 N ATOM 825 NH2 ARG B 2 -1.572 -9.195 -7.377 1.00 0.00 N ATOM 0 H ARG B 2 -1.224 -5.330 -2.791 1.00 0.00 H new ATOM 0 HA ARG B 2 1.614 -5.687 -2.832 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -0.388 -3.925 -4.286 1.00 0.00 H new ATOM 0 HB3 ARG B 2 1.333 -3.689 -4.516 1.00 0.00 H new ATOM 0 HG2 ARG B 2 0.489 -5.096 -6.297 1.00 0.00 H new ATOM 0 HG3 ARG B 2 1.548 -6.051 -5.278 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.416 -6.997 -4.098 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.490 -6.016 -5.075 1.00 0.00 H new ATOM 0 HE ARG B 2 0.320 -7.778 -6.602 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -2.822 -7.349 -5.057 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.606 -8.591 -6.039 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.693 -9.369 -7.865 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -2.405 -9.730 -7.622 1.00 0.00 H new ATOM 839 N THR B 3 1.867 -4.055 -0.800 1.00 0.00 N ATOM 840 CA THR B 3 2.359 -3.007 0.084 1.00 0.00 C ATOM 841 C THR B 3 3.881 -2.926 0.041 1.00 0.00 C ATOM 842 O THR B 3 4.576 -3.902 0.328 1.00 0.00 O ATOM 843 CB THR B 3 1.898 -3.213 1.542 1.00 0.00 C ATOM 844 OG1 THR B 3 2.901 -3.915 2.286 1.00 0.00 O ATOM 845 CG2 THR B 3 0.597 -3.994 1.587 1.00 0.00 C ATOM 0 H THR B 3 1.983 -5.004 -0.444 1.00 0.00 H new ATOM 0 HA THR B 3 1.936 -2.070 -0.279 1.00 0.00 H new ATOM 0 HB THR B 3 1.738 -2.231 1.988 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.524 -4.349 1.666 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.289 -4.129 2.624 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.175 -3.446 1.047 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.742 -4.969 1.122 1.00 0.00 H new ATOM 853 N LYS B 4 4.394 -1.756 -0.329 1.00 0.00 N ATOM 854 CA LYS B 4 5.833 -1.542 -0.412 1.00 0.00 C ATOM 855 C LYS B 4 6.207 -0.143 0.071 1.00 0.00 C ATOM 856 O LYS B 4 5.405 0.787 -0.005 1.00 0.00 O ATOM 857 CB LYS B 4 6.326 -1.769 -1.848 1.00 0.00 C ATOM 858 CG LYS B 4 5.365 -1.292 -2.931 1.00 0.00 C ATOM 859 CD LYS B 4 5.272 0.228 -3.009 1.00 0.00 C ATOM 860 CE LYS B 4 6.632 0.883 -3.215 1.00 0.00 C ATOM 861 NZ LYS B 4 7.186 0.607 -4.569 1.00 0.00 N ATOM 0 H LYS B 4 3.832 -0.941 -0.576 1.00 0.00 H new ATOM 0 HA LYS B 4 6.323 -2.264 0.241 1.00 0.00 H new ATOM 0 HB2 LYS B 4 7.280 -1.257 -1.976 1.00 0.00 H new ATOM 0 HB3 LYS B 4 6.514 -2.833 -1.990 1.00 0.00 H new ATOM 0 HG2 LYS B 4 5.689 -1.682 -3.896 1.00 0.00 H new ATOM 0 HG3 LYS B 4 4.374 -1.703 -2.738 1.00 0.00 H new ATOM 0 HD2 LYS B 4 4.609 0.507 -3.828 1.00 0.00 H new ATOM 0 HD3 LYS B 4 4.823 0.609 -2.092 1.00 0.00 H new ATOM 0 HE2 LYS B 4 6.541 1.960 -3.074 1.00 0.00 H new ATOM 0 HE3 LYS B 4 7.327 0.520 -2.458 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 8.112 1.071 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 7.298 -0.419 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 6.536 0.976 -5.292 1.00 0.00 H new ATOM 875 N GLN B 5 7.429 -0.007 0.579 1.00 0.00 N ATOM 876 CA GLN B 5 7.911 1.274 1.087 1.00 0.00 C ATOM 877 C GLN B 5 8.250 2.228 -0.052 1.00 0.00 C ATOM 878 O GLN B 5 8.727 1.808 -1.107 1.00 0.00 O ATOM 879 CB GLN B 5 9.140 1.063 1.974 1.00 0.00 C ATOM 880 CG GLN B 5 10.289 0.363 1.267 1.00 0.00 C ATOM 881 CD GLN B 5 11.485 0.151 2.172 1.00 0.00 C ATOM 882 OE1 GLN B 5 12.374 0.999 2.255 1.00 0.00 O ATOM 883 NE2 GLN B 5 11.515 -0.987 2.857 1.00 0.00 N ATOM 0 H GLN B 5 8.104 -0.769 0.650 1.00 0.00 H new ATOM 0 HA GLN B 5 7.113 1.721 1.679 1.00 0.00 H new ATOM 0 HB2 GLN B 5 9.485 2.031 2.339 1.00 0.00 H new ATOM 0 HB3 GLN B 5 8.851 0.478 2.847 1.00 0.00 H new ATOM 0 HG2 GLN B 5 9.947 -0.601 0.891 1.00 0.00 H new ATOM 0 HG3 GLN B 5 10.592 0.953 0.402 1.00 0.00 H new ATOM 0 HE21 GLN B 5 10.757 -1.662 2.758 1.00 0.00 H new ATOM 0 HE22 GLN B 5 12.296 -1.186 3.482 1.00 0.00 H new ATOM 892 N THR B 6 8.006 3.515 0.173 1.00 0.00 N ATOM 893 CA THR B 6 8.280 4.535 -0.831 1.00 0.00 C ATOM 894 C THR B 6 8.941 5.759 -0.206 1.00 0.00 C ATOM 895 O THR B 6 8.718 6.067 0.966 1.00 0.00 O ATOM 896 CB THR B 6 6.988 4.978 -1.544 1.00 0.00 C ATOM 897 OG1 THR B 6 7.297 5.912 -2.587 1.00 0.00 O ATOM 898 CG2 THR B 6 6.020 5.616 -0.558 1.00 0.00 C ATOM 0 H THR B 6 7.618 3.876 1.044 1.00 0.00 H new ATOM 0 HA THR B 6 8.958 4.089 -1.558 1.00 0.00 H new ATOM 0 HB THR B 6 6.517 4.095 -1.976 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.544 6.527 -2.709 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.115 5.921 -1.083 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.764 4.895 0.218 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.487 6.489 -0.103 1.00 0.00 H new