USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 376 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 311 CYS SG : rot 167:sc= 0.635 USER MOD Set 1.2: A 314 CYS SG : rot -43:sc= -0.531 USER MOD Set 1.3: A 337 CYS SG : rot -126:sc= 0.793 USER MOD Set 1.4: A 340 CYS SG : rot 85:sc= -0.126 USER MOD Set 2.1: A 299 CYS SG : rot 157:sc= -4.73! USER MOD Set 2.2: A 302 CYS SG : rot 134:sc= 0.229 USER MOD Set 2.3: A 319 HIS : no HD1:sc= -0.692 K(o=-12,f=-15!) USER MOD Set 2.4: A 322 CYS SG : rot 150:sc= -7.15! USER MOD Single : A 295 ASN : amide:sc= -4.42 K(o=-4.4,f=-7.9!) USER MOD Single : A 310 CYS SG : rot -16:sc= -1.47! 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+ -111:sc= 0.131 (180deg=-2.53!) USER MOD Single : B 3 THR OG1 : rot -17:sc= 0.907 USER MOD Single : B 4 LYS NZ :NH3+ -161:sc= -0.128 (180deg=-0.582) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : B 6 THR OG1 : rot -172:sc= 0.0268 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 295 1.178 1.620 -7.771 1.00 0.00 N ATOM 44 CA ASN A 295 0.271 2.764 -7.653 1.00 0.00 C ATOM 45 C ASN A 295 1.024 4.089 -7.761 1.00 0.00 C ATOM 46 O ASN A 295 2.135 4.140 -8.290 1.00 0.00 O ATOM 47 CB ASN A 295 -0.522 2.696 -6.341 1.00 0.00 C ATOM 48 CG ASN A 295 0.316 3.009 -5.118 1.00 0.00 C ATOM 49 OD1 ASN A 295 0.395 4.157 -4.685 1.00 0.00 O ATOM 50 ND2 ASN A 295 0.942 1.985 -4.549 1.00 0.00 N ATOM 0 HA ASN A 295 -0.432 2.715 -8.484 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -1.355 3.397 -6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -0.950 1.699 -6.234 1.00 0.00 H new ATOM 0 HD21 ASN A 295 1.516 2.135 -3.719 1.00 0.00 H new ATOM 0 HD22 ASN A 295 0.849 1.048 -4.942 1.00 0.00 H new ATOM 57 N GLU A 296 0.412 5.166 -7.271 1.00 0.00 N ATOM 58 CA GLU A 296 1.037 6.485 -7.323 1.00 0.00 C ATOM 59 C GLU A 296 2.118 6.627 -6.250 1.00 0.00 C ATOM 60 O GLU A 296 2.674 7.707 -6.048 1.00 0.00 O ATOM 61 CB GLU A 296 -0.022 7.580 -7.159 1.00 0.00 C ATOM 62 CG GLU A 296 0.480 8.972 -7.496 1.00 0.00 C ATOM 63 CD GLU A 296 1.147 9.042 -8.858 1.00 0.00 C ATOM 64 OE1 GLU A 296 0.425 9.206 -9.863 1.00 0.00 O ATOM 65 OE2 GLU A 296 2.388 8.929 -8.916 1.00 0.00 O ATOM 0 H GLU A 296 -0.511 5.151 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 296 1.513 6.595 -8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -0.874 7.347 -7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -0.382 7.573 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -0.356 9.671 -7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 296 1.189 9.293 -6.732 1.00 0.00 H new ATOM 72 N ASP A 297 2.414 5.518 -5.573 1.00 0.00 N ATOM 73 CA ASP A 297 3.423 5.490 -4.515 1.00 0.00 C ATOM 74 C ASP A 297 3.220 6.634 -3.523 1.00 0.00 C ATOM 75 O ASP A 297 4.162 7.355 -3.194 1.00 0.00 O ATOM 76 CB ASP A 297 4.833 5.561 -5.109 1.00 0.00 C ATOM 77 CG ASP A 297 4.871 5.186 -6.577 1.00 0.00 C ATOM 78 OD1 ASP A 297 4.979 3.980 -6.880 1.00 0.00 O ATOM 79 OD2 ASP A 297 4.796 6.101 -7.425 1.00 0.00 O ATOM 0 H ASP A 297 1.964 4.618 -5.741 1.00 0.00 H new ATOM 0 HA ASP A 297 3.310 4.547 -3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.224 6.571 -4.986 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.491 4.895 -4.551 1.00 0.00 H new ATOM 84 N GLU A 298 1.988 6.792 -3.046 1.00 0.00 N ATOM 85 CA GLU A 298 1.670 7.849 -2.090 1.00 0.00 C ATOM 86 C GLU A 298 0.405 7.520 -1.301 1.00 0.00 C ATOM 87 O GLU A 298 -0.586 7.051 -1.862 1.00 0.00 O ATOM 88 CB GLU A 298 1.505 9.186 -2.807 1.00 0.00 C ATOM 89 CG GLU A 298 0.333 9.227 -3.774 1.00 0.00 C ATOM 90 CD GLU A 298 0.121 10.605 -4.371 1.00 0.00 C ATOM 91 OE1 GLU A 298 0.954 11.029 -5.200 1.00 0.00 O ATOM 92 OE2 GLU A 298 -0.877 11.263 -4.008 1.00 0.00 O ATOM 0 H GLU A 298 1.196 6.204 -3.305 1.00 0.00 H new ATOM 0 HA GLU A 298 2.501 7.922 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 298 1.377 9.972 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 298 2.422 9.410 -3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 298 0.503 8.509 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -0.574 8.916 -3.255 1.00 0.00 H new ATOM 99 N CYS A 299 0.452 7.766 0.006 1.00 0.00 N ATOM 100 CA CYS A 299 -0.689 7.502 0.879 1.00 0.00 C ATOM 101 C CYS A 299 -1.865 8.398 0.505 1.00 0.00 C ATOM 102 O CYS A 299 -1.732 9.616 0.452 1.00 0.00 O ATOM 103 CB CYS A 299 -0.297 7.726 2.343 1.00 0.00 C ATOM 104 SG CYS A 299 -1.692 7.704 3.522 1.00 0.00 S ATOM 0 H CYS A 299 1.268 8.148 0.484 1.00 0.00 H new ATOM 0 HA CYS A 299 -0.991 6.463 0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.419 6.957 2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.214 8.685 2.425 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.253 7.404 4.708 1.00 0.00 H new ATOM 109 N ALA A 300 -3.016 7.794 0.251 1.00 0.00 N ATOM 110 CA ALA A 300 -4.204 8.551 -0.126 1.00 0.00 C ATOM 111 C ALA A 300 -4.746 9.367 1.046 1.00 0.00 C ATOM 112 O ALA A 300 -5.792 10.004 0.932 1.00 0.00 O ATOM 113 CB ALA A 300 -5.277 7.614 -0.660 1.00 0.00 C ATOM 0 H ALA A 300 -3.154 6.785 0.298 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.918 9.250 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -6.159 8.191 -0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.897 7.087 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.545 6.891 0.110 1.00 0.00 H new ATOM 119 N VAL A 301 -4.032 9.349 2.172 1.00 0.00 N ATOM 120 CA VAL A 301 -4.467 10.093 3.352 1.00 0.00 C ATOM 121 C VAL A 301 -3.418 11.117 3.810 1.00 0.00 C ATOM 122 O VAL A 301 -3.740 12.055 4.540 1.00 0.00 O ATOM 123 CB VAL A 301 -4.826 9.136 4.520 1.00 0.00 C ATOM 124 CG1 VAL A 301 -5.026 7.727 4.001 1.00 0.00 C ATOM 125 CG2 VAL A 301 -3.781 9.178 5.626 1.00 0.00 C ATOM 0 H VAL A 301 -3.160 8.833 2.291 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.363 10.642 3.061 1.00 0.00 H new ATOM 0 HB VAL A 301 -5.763 9.477 4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -5.277 7.066 4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.837 7.719 3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -4.108 7.380 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.069 8.495 6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -2.813 8.879 5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -3.712 10.191 6.023 1.00 0.00 H new ATOM 135 N CYS A 302 -2.166 10.939 3.379 1.00 0.00 N ATOM 136 CA CYS A 302 -1.087 11.858 3.765 1.00 0.00 C ATOM 137 C CYS A 302 -0.497 12.573 2.558 1.00 0.00 C ATOM 138 O CYS A 302 0.038 13.676 2.680 1.00 0.00 O ATOM 139 CB CYS A 302 0.045 11.107 4.469 1.00 0.00 C ATOM 140 SG CYS A 302 -0.419 10.322 6.039 1.00 0.00 S ATOM 0 H CYS A 302 -1.874 10.176 2.769 1.00 0.00 H new ATOM 0 HA CYS A 302 -1.532 12.590 4.439 1.00 0.00 H new ATOM 0 HB2 CYS A 302 0.427 10.340 3.795 1.00 0.00 H new ATOM 0 HB3 CYS A 302 0.863 11.803 4.655 1.00 0.00 H new ATOM 0 HG CYS A 302 0.037 9.105 6.067 1.00 0.00 H new ATOM 145 N ARG A 303 -0.591 11.929 1.401 1.00 0.00 N ATOM 146 CA ARG A 303 -0.040 12.465 0.162 1.00 0.00 C ATOM 147 C ARG A 303 1.484 12.419 0.219 1.00 0.00 C ATOM 148 O ARG A 303 2.170 13.000 -0.623 1.00 0.00 O ATOM 149 CB ARG A 303 -0.524 13.898 -0.090 1.00 0.00 C ATOM 150 CG ARG A 303 -2.038 14.041 -0.115 1.00 0.00 C ATOM 151 CD ARG A 303 -2.655 13.200 -1.218 1.00 0.00 C ATOM 152 NE ARG A 303 -4.115 13.214 -1.167 1.00 0.00 N ATOM 153 CZ ARG A 303 -4.890 12.546 -2.018 1.00 0.00 C ATOM 154 NH1 ARG A 303 -4.347 11.808 -2.977 1.00 0.00 N ATOM 155 NH2 ARG A 303 -6.209 12.614 -1.908 1.00 0.00 N ATOM 0 H ARG A 303 -1.049 11.024 1.295 1.00 0.00 H new ATOM 0 HA ARG A 303 -0.390 11.850 -0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -0.120 14.549 0.685 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -0.120 14.246 -1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.450 13.739 0.848 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -2.304 15.088 -0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -2.323 13.573 -2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -2.299 12.173 -1.133 1.00 0.00 H new ATOM 0 HE ARG A 303 -4.566 13.767 -0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -3.332 11.751 -3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -4.944 11.297 -3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -6.631 13.179 -1.171 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -6.802 12.102 -2.561 1.00 0.00 H new ATOM 169 N ASP A 304 1.998 11.716 1.228 1.00 0.00 N ATOM 170 CA ASP A 304 3.437 11.571 1.421 1.00 0.00 C ATOM 171 C ASP A 304 3.887 10.151 1.080 1.00 0.00 C ATOM 172 O ASP A 304 3.280 9.489 0.236 1.00 0.00 O ATOM 173 CB ASP A 304 3.813 11.910 2.866 1.00 0.00 C ATOM 174 CG ASP A 304 3.476 13.342 3.232 1.00 0.00 C ATOM 175 OD1 ASP A 304 4.273 14.244 2.896 1.00 0.00 O ATOM 176 OD2 ASP A 304 2.417 13.562 3.856 1.00 0.00 O ATOM 0 H ASP A 304 1.433 11.236 1.928 1.00 0.00 H new ATOM 0 HA ASP A 304 3.945 12.264 0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 304 3.291 11.233 3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 304 4.881 11.743 3.009 1.00 0.00 H new ATOM 181 N GLY A 305 4.947 9.682 1.740 1.00 0.00 N ATOM 182 CA GLY A 305 5.450 8.346 1.470 1.00 0.00 C ATOM 183 C GLY A 305 5.339 7.405 2.655 1.00 0.00 C ATOM 184 O GLY A 305 4.391 7.482 3.433 1.00 0.00 O ATOM 0 H GLY A 305 5.462 10.201 2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 305 4.901 7.923 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.495 8.414 1.167 1.00 0.00 H new ATOM 188 N GLY A 306 6.322 6.516 2.788 1.00 0.00 N ATOM 189 CA GLY A 306 6.315 5.537 3.865 1.00 0.00 C ATOM 190 C GLY A 306 5.814 4.195 3.370 1.00 0.00 C ATOM 191 O GLY A 306 5.648 4.011 2.164 1.00 0.00 O ATOM 0 H GLY A 306 7.128 6.456 2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.321 5.428 4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 306 5.681 5.889 4.679 1.00 0.00 H new ATOM 195 N GLU A 307 5.572 3.247 4.272 1.00 0.00 N ATOM 196 CA GLU A 307 5.075 1.948 3.849 1.00 0.00 C ATOM 197 C GLU A 307 3.580 2.038 3.600 1.00 0.00 C ATOM 198 O GLU A 307 2.800 2.246 4.530 1.00 0.00 O ATOM 199 CB GLU A 307 5.364 0.872 4.896 1.00 0.00 C ATOM 200 CG GLU A 307 5.107 -0.538 4.386 1.00 0.00 C ATOM 201 CD GLU A 307 5.042 -1.567 5.497 1.00 0.00 C ATOM 202 OE1 GLU A 307 5.920 -1.541 6.385 1.00 0.00 O ATOM 203 OE2 GLU A 307 4.109 -2.399 5.478 1.00 0.00 O ATOM 0 H GLU A 307 5.709 3.352 5.277 1.00 0.00 H new ATOM 0 HA GLU A 307 5.589 1.666 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.403 0.953 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.745 1.053 5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.170 -0.552 3.830 1.00 0.00 H new ATOM 0 HG3 GLU A 307 5.896 -0.815 3.687 1.00 0.00 H new ATOM 210 N LEU A 308 3.182 1.883 2.346 1.00 0.00 N ATOM 211 CA LEU A 308 1.775 1.964 1.994 1.00 0.00 C ATOM 212 C LEU A 308 1.328 0.731 1.217 1.00 0.00 C ATOM 213 O LEU A 308 2.124 0.091 0.534 1.00 0.00 O ATOM 214 CB LEU A 308 1.493 3.218 1.169 1.00 0.00 C ATOM 215 CG LEU A 308 2.586 4.279 1.162 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.395 5.203 -0.027 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.547 5.068 2.453 1.00 0.00 C ATOM 0 H LEU A 308 3.809 1.702 1.562 1.00 0.00 H new ATOM 0 HA LEU A 308 1.210 2.014 2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.303 2.915 0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.576 3.674 1.541 1.00 0.00 H new ATOM 0 HG LEU A 308 3.559 3.794 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.179 5.961 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.448 4.625 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.421 5.688 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.331 5.825 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.576 5.553 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.705 4.395 3.296 1.00 0.00 H new ATOM 229 N ILE A 309 0.042 0.423 1.324 1.00 0.00 N ATOM 230 CA ILE A 309 -0.550 -0.723 0.651 1.00 0.00 C ATOM 231 C ILE A 309 -1.291 -0.301 -0.608 1.00 0.00 C ATOM 232 O ILE A 309 -2.225 0.495 -0.552 1.00 0.00 O ATOM 233 CB ILE A 309 -1.528 -1.455 1.580 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.376 -2.460 0.800 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.419 -0.455 2.292 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.103 -3.437 1.693 1.00 0.00 C ATOM 0 H ILE A 309 -0.620 0.963 1.881 1.00 0.00 H new ATOM 0 HA ILE A 309 0.266 -1.392 0.378 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.949 -2.005 2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -3.103 -1.920 0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.735 -3.012 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -3.109 -0.985 2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.804 0.223 2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -2.985 0.116 1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.687 -4.124 1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.379 -4.001 2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.768 -2.892 2.363 1.00 0.00 H new ATOM 248 N CYS A 310 -0.882 -0.859 -1.736 1.00 0.00 N ATOM 249 CA CYS A 310 -1.497 -0.537 -3.011 1.00 0.00 C ATOM 250 C CYS A 310 -2.842 -1.235 -3.174 1.00 0.00 C ATOM 251 O CYS A 310 -3.003 -2.407 -2.834 1.00 0.00 O ATOM 252 CB CYS A 310 -0.557 -0.917 -4.152 1.00 0.00 C ATOM 253 SG CYS A 310 -1.040 -2.405 -5.061 1.00 0.00 S ATOM 0 H CYS A 310 -0.124 -1.539 -1.793 1.00 0.00 H new ATOM 0 HA CYS A 310 -1.679 0.537 -3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.499 -0.083 -4.851 1.00 0.00 H new ATOM 0 HB3 CYS A 310 0.444 -1.063 -3.747 1.00 0.00 H new ATOM 0 HG CYS A 310 -1.917 -3.071 -4.369 1.00 0.00 H new ATOM 259 N CYS A 311 -3.802 -0.484 -3.692 1.00 0.00 N ATOM 260 CA CYS A 311 -5.152 -0.978 -3.924 1.00 0.00 C ATOM 261 C CYS A 311 -5.272 -1.599 -5.313 1.00 0.00 C ATOM 262 O CYS A 311 -4.728 -1.078 -6.287 1.00 0.00 O ATOM 263 CB CYS A 311 -6.153 0.172 -3.774 1.00 0.00 C ATOM 264 SG CYS A 311 -7.892 -0.310 -4.015 1.00 0.00 S ATOM 0 H CYS A 311 -3.667 0.490 -3.965 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.372 -1.750 -3.186 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.043 0.606 -2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -5.902 0.952 -4.492 1.00 0.00 H new ATOM 0 HG CYS A 311 -8.669 0.645 -3.598 1.00 0.00 H new ATOM 269 N ASP A 312 -5.983 -2.719 -5.394 1.00 0.00 N ATOM 270 CA ASP A 312 -6.181 -3.413 -6.661 1.00 0.00 C ATOM 271 C ASP A 312 -7.328 -2.790 -7.446 1.00 0.00 C ATOM 272 O ASP A 312 -7.458 -3.003 -8.651 1.00 0.00 O ATOM 273 CB ASP A 312 -6.457 -4.896 -6.416 1.00 0.00 C ATOM 274 CG ASP A 312 -5.198 -5.671 -6.085 1.00 0.00 C ATOM 275 OD1 ASP A 312 -4.830 -5.726 -4.893 1.00 0.00 O ATOM 276 OD2 ASP A 312 -4.580 -6.225 -7.018 1.00 0.00 O ATOM 0 H ASP A 312 -6.433 -3.166 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 312 -5.268 -3.315 -7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -7.170 -5.000 -5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -6.923 -5.327 -7.302 1.00 0.00 H new ATOM 281 N GLY A 313 -8.158 -2.019 -6.752 1.00 0.00 N ATOM 282 CA GLY A 313 -9.286 -1.373 -7.395 1.00 0.00 C ATOM 283 C GLY A 313 -8.937 -0.001 -7.935 1.00 0.00 C ATOM 284 O GLY A 313 -9.660 0.544 -8.769 1.00 0.00 O ATOM 0 H GLY A 313 -8.069 -1.830 -5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -9.644 -2.001 -8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -10.104 -1.282 -6.681 1.00 0.00 H new ATOM 288 N CYS A 314 -7.828 0.561 -7.460 1.00 0.00 N ATOM 289 CA CYS A 314 -7.394 1.880 -7.908 1.00 0.00 C ATOM 290 C CYS A 314 -5.925 2.133 -7.560 1.00 0.00 C ATOM 291 O CYS A 314 -5.356 1.454 -6.705 1.00 0.00 O ATOM 292 CB CYS A 314 -8.273 2.966 -7.286 1.00 0.00 C ATOM 293 SG CYS A 314 -8.039 3.179 -5.494 1.00 0.00 S ATOM 0 H CYS A 314 -7.217 0.126 -6.769 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.495 1.913 -8.993 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -8.067 3.914 -7.783 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -9.319 2.726 -7.479 1.00 0.00 H new ATOM 0 HG CYS A 314 -7.960 2.013 -4.925 1.00 0.00 H new ATOM 298 N PRO A 315 -5.295 3.111 -8.242 1.00 0.00 N ATOM 299 CA PRO A 315 -3.881 3.475 -8.028 1.00 0.00 C ATOM 300 C PRO A 315 -3.622 4.214 -6.712 1.00 0.00 C ATOM 301 O PRO A 315 -2.921 5.227 -6.698 1.00 0.00 O ATOM 302 CB PRO A 315 -3.569 4.424 -9.196 1.00 0.00 C ATOM 303 CG PRO A 315 -4.720 4.310 -10.138 1.00 0.00 C ATOM 304 CD PRO A 315 -5.902 3.921 -9.306 1.00 0.00 C ATOM 0 HA PRO A 315 -3.265 2.577 -7.980 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.452 5.449 -8.845 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.635 4.146 -9.685 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -4.899 5.255 -10.651 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -4.522 3.563 -10.907 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.420 4.793 -8.906 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.633 3.352 -9.881 1.00 0.00 H new ATOM 312 N ARG A 316 -4.161 3.707 -5.608 1.00 0.00 N ATOM 313 CA ARG A 316 -3.966 4.353 -4.315 1.00 0.00 C ATOM 314 C ARG A 316 -3.266 3.441 -3.314 1.00 0.00 C ATOM 315 O ARG A 316 -3.435 2.227 -3.335 1.00 0.00 O ATOM 316 CB ARG A 316 -5.302 4.809 -3.736 1.00 0.00 C ATOM 317 CG ARG A 316 -5.782 6.139 -4.286 1.00 0.00 C ATOM 318 CD ARG A 316 -7.076 6.567 -3.615 1.00 0.00 C ATOM 319 NE ARG A 316 -8.238 5.890 -4.183 1.00 0.00 N ATOM 320 CZ ARG A 316 -9.395 5.740 -3.543 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.542 6.211 -2.311 1.00 0.00 N ATOM 322 NH2 ARG A 316 -10.405 5.116 -4.135 1.00 0.00 N ATOM 0 H ARG A 316 -4.730 2.861 -5.582 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.325 5.217 -4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -6.055 4.048 -3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.211 4.885 -2.652 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.017 6.900 -4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.935 6.058 -5.362 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.018 6.354 -2.548 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -7.198 7.645 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 316 -8.158 5.510 -5.126 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -8.767 6.690 -1.852 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.430 6.094 -1.823 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -10.295 4.751 -5.081 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -11.292 5.001 -3.644 1.00 0.00 H new ATOM 336 N ALA A 317 -2.482 4.055 -2.436 1.00 0.00 N ATOM 337 CA ALA A 317 -1.752 3.334 -1.401 1.00 0.00 C ATOM 338 C ALA A 317 -2.152 3.875 -0.021 1.00 0.00 C ATOM 339 O ALA A 317 -2.554 5.032 0.089 1.00 0.00 O ATOM 340 CB ALA A 317 -0.259 3.483 -1.630 1.00 0.00 C ATOM 0 H ALA A 317 -2.335 5.064 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.001 2.274 -1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.284 2.943 -0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 317 0.002 3.075 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 317 0.011 4.538 -1.594 1.00 0.00 H new ATOM 346 N PHE A 318 -2.052 3.056 1.030 1.00 0.00 N ATOM 347 CA PHE A 318 -2.436 3.509 2.376 1.00 0.00 C ATOM 348 C PHE A 318 -1.437 3.079 3.453 1.00 0.00 C ATOM 349 O PHE A 318 -0.819 2.026 3.367 1.00 0.00 O ATOM 350 CB PHE A 318 -3.826 2.974 2.733 1.00 0.00 C ATOM 351 CG PHE A 318 -4.950 3.691 2.056 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.288 3.379 0.761 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.680 4.661 2.723 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.330 4.016 0.129 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.727 5.310 2.097 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.055 4.985 0.796 1.00 0.00 C ATOM 0 H PHE A 318 -1.716 2.094 0.981 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.443 4.599 2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.874 1.917 2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -3.963 3.043 3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.727 2.623 0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.428 4.913 3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.582 3.759 -0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.287 6.069 2.624 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.874 5.486 0.302 1.00 0.00 H new ATOM 366 N HIS A 319 -1.314 3.903 4.489 1.00 0.00 N ATOM 367 CA HIS A 319 -0.399 3.635 5.598 1.00 0.00 C ATOM 368 C HIS A 319 -0.963 2.599 6.566 1.00 0.00 C ATOM 369 O HIS A 319 -0.735 2.698 7.771 1.00 0.00 O ATOM 370 CB HIS A 319 -0.149 4.913 6.383 1.00 0.00 C ATOM 371 CG HIS A 319 1.044 5.708 5.969 1.00 0.00 C ATOM 372 ND1 HIS A 319 0.945 7.045 5.702 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.347 5.382 5.825 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.139 7.529 5.416 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.011 6.536 5.484 1.00 0.00 N ATOM 0 H HIS A 319 -1.841 4.771 4.585 1.00 0.00 H new ATOM 0 HA HIS A 319 0.524 3.252 5.162 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -1.032 5.547 6.299 1.00 0.00 H new ATOM 0 HB3 HIS A 319 -0.042 4.655 7.436 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.783 4.402 5.953 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.365 8.556 5.170 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.013 6.614 5.311 1.00 0.00 H new ATOM 383 N LEU A 320 -1.712 1.628 6.054 1.00 0.00 N ATOM 384 CA LEU A 320 -2.287 0.588 6.904 1.00 0.00 C ATOM 385 C LEU A 320 -3.295 1.175 7.879 1.00 0.00 C ATOM 386 O LEU A 320 -4.505 1.088 7.671 1.00 0.00 O ATOM 387 CB LEU A 320 -1.179 -0.125 7.666 1.00 0.00 C ATOM 388 CG LEU A 320 -0.076 -0.715 6.791 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.485 -1.958 7.421 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.612 -1.034 5.411 1.00 0.00 C ATOM 0 H LEU A 320 -1.935 1.538 5.063 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.808 -0.127 6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.730 0.578 8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.622 -0.926 8.257 1.00 0.00 H new ATOM 0 HG LEU A 320 0.721 0.023 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.270 -2.366 6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.901 -1.715 8.399 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.308 -2.697 7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.186 -1.454 4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.424 -1.756 5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.985 -0.122 4.945 1.00 0.00 H new ATOM 402 N ALA A 321 -2.782 1.774 8.945 1.00 0.00 N ATOM 403 CA ALA A 321 -3.618 2.391 9.958 1.00 0.00 C ATOM 404 C ALA A 321 -4.267 3.661 9.422 1.00 0.00 C ATOM 405 O ALA A 321 -5.206 4.187 10.020 1.00 0.00 O ATOM 406 CB ALA A 321 -2.796 2.691 11.198 1.00 0.00 C ATOM 0 H ALA A 321 -1.781 1.844 9.129 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.413 1.695 10.226 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.432 3.154 11.953 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.381 1.764 11.592 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.984 3.371 10.941 1.00 0.00 H new ATOM 412 N CYS A 322 -3.761 4.151 8.290 1.00 0.00 N ATOM 413 CA CYS A 322 -4.318 5.364 7.677 1.00 0.00 C ATOM 414 C CYS A 322 -5.653 5.055 7.021 1.00 0.00 C ATOM 415 O CYS A 322 -6.368 5.952 6.574 1.00 0.00 O ATOM 416 CB CYS A 322 -3.359 5.966 6.646 1.00 0.00 C ATOM 417 SG CYS A 322 -2.190 7.173 7.346 1.00 0.00 S ATOM 0 H CYS A 322 -2.979 3.737 7.783 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.464 6.097 8.470 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.796 5.161 6.174 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.941 6.451 5.862 1.00 0.00 H new ATOM 0 HG CYS A 322 -1.084 7.152 6.664 1.00 0.00 H new ATOM 422 N LEU A 323 -5.976 3.772 6.973 1.00 0.00 N ATOM 423 CA LEU A 323 -7.221 3.306 6.386 1.00 0.00 C ATOM 424 C LEU A 323 -8.366 3.477 7.367 1.00 0.00 C ATOM 425 O LEU A 323 -8.136 3.494 8.576 1.00 0.00 O ATOM 426 CB LEU A 323 -7.089 1.827 6.024 1.00 0.00 C ATOM 427 CG LEU A 323 -6.455 1.542 4.679 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.889 0.133 4.653 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.481 1.737 3.584 1.00 0.00 C ATOM 0 H LEU A 323 -5.384 3.027 7.339 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.428 3.893 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.500 1.332 6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -8.081 1.376 6.042 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.632 2.236 4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.436 -0.059 3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -5.134 0.030 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.691 -0.584 4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.024 1.532 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.316 1.055 3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.843 2.765 3.603 1.00 0.00 H new ATOM 441 N SER A 324 -9.594 3.625 6.863 1.00 0.00 N ATOM 442 CA SER A 324 -10.732 3.744 7.770 1.00 0.00 C ATOM 443 C SER A 324 -10.617 2.596 8.768 1.00 0.00 C ATOM 444 O SER A 324 -10.629 2.818 9.979 1.00 0.00 O ATOM 445 CB SER A 324 -12.076 3.742 7.026 1.00 0.00 C ATOM 446 OG SER A 324 -13.161 3.645 7.933 1.00 0.00 O ATOM 0 H SER A 324 -9.819 3.664 5.869 1.00 0.00 H new ATOM 0 HA SER A 324 -10.709 4.703 8.288 1.00 0.00 H new ATOM 0 HB2 SER A 324 -12.171 4.654 6.437 1.00 0.00 H new ATOM 0 HB3 SER A 324 -12.107 2.907 6.327 1.00 0.00 H new ATOM 0 HG SER A 324 -14.005 3.647 7.435 1.00 0.00 H new ATOM 452 N PRO A 325 -10.499 1.343 8.272 1.00 0.00 N ATOM 453 CA PRO A 325 -10.258 0.186 9.097 1.00 0.00 C ATOM 454 C PRO A 325 -8.790 -0.200 8.955 1.00 0.00 C ATOM 455 O PRO A 325 -8.316 -0.440 7.843 1.00 0.00 O ATOM 456 CB PRO A 325 -11.166 -0.857 8.469 1.00 0.00 C ATOM 457 CG PRO A 325 -11.274 -0.467 7.019 1.00 0.00 C ATOM 458 CD PRO A 325 -10.657 0.910 6.875 1.00 0.00 C ATOM 0 HA PRO A 325 -10.453 0.321 10.161 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.749 -1.858 8.577 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -12.145 -0.866 8.948 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.755 -1.188 6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -12.316 -0.456 6.701 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.701 0.872 6.352 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.302 1.585 6.312 1.00 0.00 H new ATOM 466 N PRO A 326 -8.039 -0.276 10.054 1.00 0.00 N ATOM 467 CA PRO A 326 -6.617 -0.562 9.987 1.00 0.00 C ATOM 468 C PRO A 326 -6.304 -2.021 9.767 1.00 0.00 C ATOM 469 O PRO A 326 -6.889 -2.916 10.378 1.00 0.00 O ATOM 470 CB PRO A 326 -6.109 -0.071 11.322 1.00 0.00 C ATOM 471 CG PRO A 326 -7.242 -0.314 12.252 1.00 0.00 C ATOM 472 CD PRO A 326 -8.509 -0.149 11.442 1.00 0.00 C ATOM 0 HA PRO A 326 -6.143 -0.077 9.133 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -5.215 -0.613 11.632 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.844 0.986 11.284 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -7.184 -1.314 12.681 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -7.219 0.391 13.083 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -9.247 -0.912 11.689 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.979 0.818 11.621 1.00 0.00 H new ATOM 480 N LEU A 327 -5.359 -2.228 8.872 1.00 0.00 N ATOM 481 CA LEU A 327 -4.919 -3.547 8.485 1.00 0.00 C ATOM 482 C LEU A 327 -4.137 -4.244 9.589 1.00 0.00 C ATOM 483 O LEU A 327 -4.492 -5.356 9.976 1.00 0.00 O ATOM 484 CB LEU A 327 -4.091 -3.431 7.201 1.00 0.00 C ATOM 485 CG LEU A 327 -4.819 -2.711 6.074 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.938 -2.541 4.860 1.00 0.00 C ATOM 487 CD2 LEU A 327 -6.073 -3.465 5.718 1.00 0.00 C ATOM 0 H LEU A 327 -4.871 -1.474 8.389 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.796 -4.169 8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -3.164 -2.901 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.814 -4.430 6.865 1.00 0.00 H new ATOM 0 HG LEU A 327 -5.084 -1.713 6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.493 -2.023 4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -3.058 -1.957 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.626 -3.520 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.592 -2.948 4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.812 -4.473 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.724 -3.521 6.591 1.00 0.00 H new ATOM 499 N ARG A 328 -3.113 -3.568 10.124 1.00 0.00 N ATOM 500 CA ARG A 328 -2.253 -4.143 11.160 1.00 0.00 C ATOM 501 C ARG A 328 -1.397 -5.250 10.558 1.00 0.00 C ATOM 502 O ARG A 328 -0.179 -5.280 10.725 1.00 0.00 O ATOM 503 CB ARG A 328 -3.089 -4.672 12.312 1.00 0.00 C ATOM 504 CG ARG A 328 -2.951 -3.879 13.597 1.00 0.00 C ATOM 505 CD ARG A 328 -3.276 -2.408 13.399 1.00 0.00 C ATOM 506 NE ARG A 328 -3.163 -1.651 14.644 1.00 0.00 N ATOM 507 CZ ARG A 328 -3.491 -0.368 14.761 1.00 0.00 C ATOM 508 NH1 ARG A 328 -3.950 0.302 13.713 1.00 0.00 N ATOM 509 NH2 ARG A 328 -3.358 0.246 15.928 1.00 0.00 N ATOM 0 H ARG A 328 -2.861 -2.617 9.853 1.00 0.00 H new ATOM 0 HA ARG A 328 -1.597 -3.366 11.552 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.137 -4.678 12.013 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -2.807 -5.707 12.505 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -3.614 -4.298 14.354 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -1.934 -3.977 13.976 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -2.602 -1.985 12.655 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -4.288 -2.310 13.005 1.00 0.00 H new ATOM 0 HE ARG A 328 -2.812 -2.135 15.471 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -4.053 -0.167 12.813 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -4.201 1.286 13.807 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -3.004 -0.266 16.736 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -3.610 1.230 16.018 1.00 0.00 H new ATOM 523 N GLU A 329 -2.062 -6.157 9.858 1.00 0.00 N ATOM 524 CA GLU A 329 -1.412 -7.251 9.171 1.00 0.00 C ATOM 525 C GLU A 329 -1.976 -7.325 7.763 1.00 0.00 C ATOM 526 O GLU A 329 -3.098 -7.780 7.541 1.00 0.00 O ATOM 527 CB GLU A 329 -1.606 -8.575 9.905 1.00 0.00 C ATOM 528 CG GLU A 329 -3.037 -8.825 10.339 1.00 0.00 C ATOM 529 CD GLU A 329 -3.214 -10.165 11.028 1.00 0.00 C ATOM 530 OE1 GLU A 329 -3.472 -11.165 10.325 1.00 0.00 O ATOM 531 OE2 GLU A 329 -3.093 -10.215 12.270 1.00 0.00 O ATOM 0 H GLU A 329 -3.077 -6.150 9.753 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.338 -7.070 9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -1.284 -9.390 9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.961 -8.592 10.783 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.352 -8.029 11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.690 -8.780 9.467 1.00 0.00 H new ATOM 538 N ILE A 330 -1.175 -6.858 6.829 1.00 0.00 N ATOM 539 CA ILE A 330 -1.547 -6.775 5.427 1.00 0.00 C ATOM 540 C ILE A 330 -2.373 -7.961 4.918 1.00 0.00 C ATOM 541 O ILE A 330 -2.082 -9.120 5.210 1.00 0.00 O ATOM 542 CB ILE A 330 -0.286 -6.575 4.568 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.349 -5.234 4.946 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.611 -6.627 3.081 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.617 -4.083 4.874 1.00 0.00 C ATOM 0 H ILE A 330 -0.232 -6.520 7.022 1.00 0.00 H new ATOM 0 HA ILE A 330 -2.207 -5.912 5.335 1.00 0.00 H new ATOM 0 HB ILE A 330 0.417 -7.385 4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.750 -5.301 5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.190 -5.037 4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.302 -6.482 2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -1.045 -7.597 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.324 -5.839 2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 330 -0.106 -3.161 5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -1.000 -3.992 3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.446 -4.260 5.559 1.00 0.00 H new ATOM 557 N PRO A 331 -3.434 -7.636 4.142 1.00 0.00 N ATOM 558 CA PRO A 331 -4.362 -8.607 3.539 1.00 0.00 C ATOM 559 C PRO A 331 -3.684 -9.847 2.971 1.00 0.00 C ATOM 560 O PRO A 331 -2.469 -9.872 2.770 1.00 0.00 O ATOM 561 CB PRO A 331 -4.973 -7.802 2.402 1.00 0.00 C ATOM 562 CG PRO A 331 -5.025 -6.416 2.926 1.00 0.00 C ATOM 563 CD PRO A 331 -3.827 -6.251 3.807 1.00 0.00 C ATOM 0 HA PRO A 331 -5.062 -8.996 4.278 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.366 -7.864 1.499 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -5.967 -8.168 2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -5.010 -5.692 2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.945 -6.247 3.486 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -3.024 -5.722 3.294 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -4.066 -5.677 4.702 1.00 0.00 H new ATOM 571 N SER A 332 -4.494 -10.862 2.678 1.00 0.00 N ATOM 572 CA SER A 332 -3.987 -12.114 2.128 1.00 0.00 C ATOM 573 C SER A 332 -4.200 -12.166 0.620 1.00 0.00 C ATOM 574 O SER A 332 -5.251 -12.598 0.145 1.00 0.00 O ATOM 575 CB SER A 332 -4.667 -13.303 2.799 1.00 0.00 C ATOM 576 OG SER A 332 -4.444 -14.498 2.071 1.00 0.00 O ATOM 0 H SER A 332 -5.505 -10.840 2.813 1.00 0.00 H new ATOM 0 HA SER A 332 -2.916 -12.165 2.326 1.00 0.00 H new ATOM 0 HB2 SER A 332 -4.288 -13.417 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 332 -5.738 -13.116 2.877 1.00 0.00 H new ATOM 0 HG SER A 332 -4.889 -15.245 2.523 1.00 0.00 H new ATOM 582 N GLY A 333 -3.194 -11.724 -0.128 1.00 0.00 N ATOM 583 CA GLY A 333 -3.291 -11.716 -1.576 1.00 0.00 C ATOM 584 C GLY A 333 -3.654 -10.347 -2.113 1.00 0.00 C ATOM 585 O GLY A 333 -2.847 -9.419 -2.055 1.00 0.00 O ATOM 0 H GLY A 333 -2.312 -11.371 0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -2.340 -12.033 -2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -4.041 -12.440 -1.893 1.00 0.00 H new ATOM 589 N THR A 334 -4.871 -10.222 -2.636 1.00 0.00 N ATOM 590 CA THR A 334 -5.349 -8.954 -3.179 1.00 0.00 C ATOM 591 C THR A 334 -6.010 -8.115 -2.090 1.00 0.00 C ATOM 592 O THR A 334 -6.214 -8.589 -0.972 1.00 0.00 O ATOM 593 CB THR A 334 -6.352 -9.178 -4.327 1.00 0.00 C ATOM 594 OG1 THR A 334 -7.426 -10.012 -3.880 1.00 0.00 O ATOM 595 CG2 THR A 334 -5.672 -9.822 -5.526 1.00 0.00 C ATOM 0 H THR A 334 -5.545 -10.985 -2.695 1.00 0.00 H new ATOM 0 HA THR A 334 -4.481 -8.422 -3.570 1.00 0.00 H new ATOM 0 HB THR A 334 -6.744 -8.207 -4.631 1.00 0.00 H new ATOM 0 HG1 THR A 334 -8.061 -10.149 -4.614 1.00 0.00 H new ATOM 0 HG21 THR A 334 -6.402 -9.969 -6.322 1.00 0.00 H new ATOM 0 HG22 THR A 334 -4.872 -9.173 -5.882 1.00 0.00 H new ATOM 0 HG23 THR A 334 -5.255 -10.786 -5.233 1.00 0.00 H new ATOM 603 N TRP A 335 -6.348 -6.869 -2.418 1.00 0.00 N ATOM 604 CA TRP A 335 -6.977 -5.973 -1.449 1.00 0.00 C ATOM 605 C TRP A 335 -7.487 -4.700 -2.106 1.00 0.00 C ATOM 606 O TRP A 335 -6.898 -4.201 -3.064 1.00 0.00 O ATOM 607 CB TRP A 335 -5.980 -5.616 -0.347 1.00 0.00 C ATOM 608 CG TRP A 335 -6.402 -4.466 0.523 1.00 0.00 C ATOM 609 CD1 TRP A 335 -7.122 -4.534 1.683 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.117 -3.078 0.310 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.280 -3.276 2.213 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.678 -2.370 1.387 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.439 -2.364 -0.682 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.579 -0.991 1.503 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.346 -0.988 -0.566 1.00 0.00 C ATOM 616 CH2 TRP A 335 -5.912 -0.316 0.522 1.00 0.00 C ATOM 0 H TRP A 335 -6.198 -6.459 -3.340 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.832 -6.497 -1.021 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.822 -6.493 0.281 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.021 -5.376 -0.806 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.510 -5.443 2.119 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.767 -3.055 3.081 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -4.996 -2.876 -1.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -7.015 -0.469 2.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -4.828 -0.424 -1.328 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -5.820 0.758 0.587 1.00 0.00 H new ATOM 627 N ARG A 336 -8.587 -4.183 -1.575 1.00 0.00 N ATOM 628 CA ARG A 336 -9.181 -2.958 -2.075 1.00 0.00 C ATOM 629 C ARG A 336 -9.293 -1.928 -0.960 1.00 0.00 C ATOM 630 O ARG A 336 -9.385 -2.280 0.215 1.00 0.00 O ATOM 631 CB ARG A 336 -10.557 -3.262 -2.648 1.00 0.00 C ATOM 632 CG ARG A 336 -10.512 -4.216 -3.820 1.00 0.00 C ATOM 633 CD ARG A 336 -11.723 -4.026 -4.695 1.00 0.00 C ATOM 634 NE ARG A 336 -11.953 -5.170 -5.575 1.00 0.00 N ATOM 635 CZ ARG A 336 -12.406 -5.065 -6.821 1.00 0.00 C ATOM 636 NH1 ARG A 336 -12.672 -3.872 -7.337 1.00 0.00 N ATOM 637 NH2 ARG A 336 -12.590 -6.155 -7.555 1.00 0.00 N ATOM 0 H ARG A 336 -9.087 -4.601 -0.790 1.00 0.00 H new ATOM 0 HA ARG A 336 -8.545 -2.547 -2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.185 -3.687 -1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.027 -2.330 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -9.605 -4.047 -4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.473 -5.244 -3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -12.601 -3.869 -4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -11.597 -3.126 -5.297 1.00 0.00 H new ATOM 0 HE ARG A 336 -11.755 -6.103 -5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -12.529 -3.031 -6.778 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -13.019 -3.796 -8.293 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -12.384 -7.074 -7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -12.937 -6.074 -8.511 1.00 0.00 H new ATOM 651 N CYS A 337 -9.287 -0.656 -1.333 1.00 0.00 N ATOM 652 CA CYS A 337 -9.390 0.421 -0.359 1.00 0.00 C ATOM 653 C CYS A 337 -10.847 0.627 0.022 1.00 0.00 C ATOM 654 O CYS A 337 -11.733 0.109 -0.644 1.00 0.00 O ATOM 655 CB CYS A 337 -8.802 1.713 -0.920 1.00 0.00 C ATOM 656 SG CYS A 337 -9.803 2.462 -2.240 1.00 0.00 S ATOM 0 H CYS A 337 -9.212 -0.345 -2.302 1.00 0.00 H new ATOM 0 HA CYS A 337 -8.822 0.147 0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.690 2.433 -0.109 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -7.803 1.509 -1.305 1.00 0.00 H new ATOM 0 HG CYS A 337 -9.063 2.650 -3.292 1.00 0.00 H new ATOM 661 N SER A 338 -11.087 1.391 1.080 1.00 0.00 N ATOM 662 CA SER A 338 -12.447 1.645 1.558 1.00 0.00 C ATOM 663 C SER A 338 -13.438 1.872 0.413 1.00 0.00 C ATOM 664 O SER A 338 -14.486 1.234 0.364 1.00 0.00 O ATOM 665 CB SER A 338 -12.462 2.847 2.500 1.00 0.00 C ATOM 666 OG SER A 338 -11.562 2.662 3.580 1.00 0.00 O ATOM 0 H SER A 338 -10.358 1.848 1.627 1.00 0.00 H new ATOM 0 HA SER A 338 -12.766 0.752 2.095 1.00 0.00 H new ATOM 0 HB2 SER A 338 -12.193 3.748 1.949 1.00 0.00 H new ATOM 0 HB3 SER A 338 -13.470 2.998 2.885 1.00 0.00 H new ATOM 0 HG SER A 338 -11.590 3.446 4.167 1.00 0.00 H new ATOM 672 N SER A 339 -13.105 2.779 -0.502 1.00 0.00 N ATOM 673 CA SER A 339 -13.979 3.092 -1.633 1.00 0.00 C ATOM 674 C SER A 339 -14.286 1.861 -2.490 1.00 0.00 C ATOM 675 O SER A 339 -15.443 1.428 -2.598 1.00 0.00 O ATOM 676 CB SER A 339 -13.337 4.172 -2.489 1.00 0.00 C ATOM 677 OG SER A 339 -14.129 4.466 -3.627 1.00 0.00 O ATOM 0 H SER A 339 -12.235 3.312 -0.484 1.00 0.00 H new ATOM 0 HA SER A 339 -14.926 3.448 -1.228 1.00 0.00 H new ATOM 0 HB2 SER A 339 -13.200 5.076 -1.895 1.00 0.00 H new ATOM 0 HB3 SER A 339 -12.347 3.846 -2.807 1.00 0.00 H new ATOM 0 HG SER A 339 -13.693 5.165 -4.158 1.00 0.00 H new ATOM 683 N CYS A 340 -13.245 1.294 -3.094 1.00 0.00 N ATOM 684 CA CYS A 340 -13.401 0.131 -3.944 1.00 0.00 C ATOM 685 C CYS A 340 -14.052 -0.992 -3.154 1.00 0.00 C ATOM 686 O CYS A 340 -14.619 -1.926 -3.718 1.00 0.00 O ATOM 687 CB CYS A 340 -12.042 -0.309 -4.490 1.00 0.00 C ATOM 688 SG CYS A 340 -11.156 0.981 -5.432 1.00 0.00 S ATOM 0 H CYS A 340 -12.285 1.627 -3.006 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.041 0.384 -4.789 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.416 -0.629 -3.657 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.186 -1.177 -5.133 1.00 0.00 H new ATOM 0 HG CYS A 340 -10.499 1.745 -4.610 1.00 0.00 H new ATOM 693 N LEU A 341 -13.962 -0.874 -1.837 1.00 0.00 N ATOM 694 CA LEU A 341 -14.537 -1.843 -0.926 1.00 0.00 C ATOM 695 C LEU A 341 -16.032 -1.622 -0.785 1.00 0.00 C ATOM 696 O LEU A 341 -16.799 -2.573 -0.635 1.00 0.00 O ATOM 697 CB LEU A 341 -13.852 -1.745 0.428 1.00 0.00 C ATOM 698 CG LEU A 341 -12.518 -2.477 0.527 1.00 0.00 C ATOM 699 CD1 LEU A 341 -11.866 -2.226 1.868 1.00 0.00 C ATOM 700 CD2 LEU A 341 -12.719 -3.956 0.283 1.00 0.00 C ATOM 0 H LEU A 341 -13.486 -0.100 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.380 -2.843 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -13.691 -0.693 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -14.525 -2.141 1.189 1.00 0.00 H new ATOM 0 HG LEU A 341 -11.848 -2.091 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -10.916 -2.758 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -11.690 -1.158 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -12.521 -2.581 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -11.761 -4.470 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -13.404 -4.358 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -13.137 -4.107 -0.712 1.00 0.00 H new ATOM 803 N ALA B 1 -1.560 -8.253 0.342 1.00 0.00 N ATOM 804 CA ALA B 1 -1.625 -7.109 -0.608 1.00 0.00 C ATOM 805 C ALA B 1 -0.233 -6.552 -0.895 1.00 0.00 C ATOM 806 O ALA B 1 0.710 -6.788 -0.140 1.00 0.00 O ATOM 807 CB ALA B 1 -2.543 -6.021 -0.072 1.00 0.00 C ATOM 0 H1 ALA B 1 -1.807 -9.132 -0.156 1.00 0.00 H new ATOM 0 H2 ALA B 1 -0.596 -8.332 0.725 1.00 0.00 H new ATOM 0 H3 ALA B 1 -2.231 -8.096 1.121 1.00 0.00 H new ATOM 0 HA ALA B 1 -2.038 -7.474 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -2.578 -5.193 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.546 -6.425 0.063 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.164 -5.664 0.885 1.00 0.00 H new ATOM 815 N ARG B 2 -0.114 -5.809 -1.995 1.00 0.00 N ATOM 816 CA ARG B 2 1.164 -5.224 -2.396 1.00 0.00 C ATOM 817 C ARG B 2 1.432 -3.915 -1.667 1.00 0.00 C ATOM 818 O ARG B 2 1.057 -2.846 -2.145 1.00 0.00 O ATOM 819 CB ARG B 2 1.191 -4.971 -3.906 1.00 0.00 C ATOM 820 CG ARG B 2 1.026 -6.228 -4.749 1.00 0.00 C ATOM 821 CD ARG B 2 -0.426 -6.675 -4.816 1.00 0.00 C ATOM 822 NE ARG B 2 -0.585 -7.906 -5.583 1.00 0.00 N ATOM 823 CZ ARG B 2 -1.765 -8.402 -5.941 1.00 0.00 C ATOM 824 NH1 ARG B 2 -2.882 -7.768 -5.608 1.00 0.00 N ATOM 825 NH2 ARG B 2 -1.830 -9.531 -6.634 1.00 0.00 N ATOM 0 H ARG B 2 -0.888 -5.598 -2.625 1.00 0.00 H new ATOM 0 HA ARG B 2 1.943 -5.939 -2.130 1.00 0.00 H new ATOM 0 HB2 ARG B 2 0.397 -4.269 -4.160 1.00 0.00 H new ATOM 0 HB3 ARG B 2 2.135 -4.493 -4.167 1.00 0.00 H new ATOM 0 HG2 ARG B 2 1.396 -6.041 -5.757 1.00 0.00 H new ATOM 0 HG3 ARG B 2 1.634 -7.029 -4.330 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.806 -6.826 -3.805 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.027 -5.886 -5.268 1.00 0.00 H new ATOM 0 HE ARG B 2 0.255 -8.414 -5.860 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -2.836 -6.899 -5.077 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.787 -8.150 -5.884 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.973 -10.020 -6.893 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -2.737 -9.910 -6.908 1.00 0.00 H new ATOM 839 N THR B 3 2.092 -3.998 -0.517 1.00 0.00 N ATOM 840 CA THR B 3 2.409 -2.806 0.257 1.00 0.00 C ATOM 841 C THR B 3 3.894 -2.469 0.137 1.00 0.00 C ATOM 842 O THR B 3 4.749 -3.126 0.731 1.00 0.00 O ATOM 843 CB THR B 3 2.012 -2.965 1.742 1.00 0.00 C ATOM 844 OG1 THR B 3 3.083 -3.555 2.491 1.00 0.00 O ATOM 845 CG2 THR B 3 0.770 -3.833 1.867 1.00 0.00 C ATOM 0 H THR B 3 2.416 -4.872 -0.103 1.00 0.00 H new ATOM 0 HA THR B 3 1.825 -1.983 -0.155 1.00 0.00 H new ATOM 0 HB THR B 3 1.801 -1.974 2.144 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.723 -3.970 1.876 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.502 -3.936 2.919 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.055 -3.368 1.327 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.971 -4.818 1.445 1.00 0.00 H new ATOM 853 N LYS B 4 4.188 -1.444 -0.657 1.00 0.00 N ATOM 854 CA LYS B 4 5.562 -1.012 -0.891 1.00 0.00 C ATOM 855 C LYS B 4 6.014 -0.007 0.167 1.00 0.00 C ATOM 856 O LYS B 4 5.206 0.491 0.950 1.00 0.00 O ATOM 857 CB LYS B 4 5.671 -0.384 -2.282 1.00 0.00 C ATOM 858 CG LYS B 4 7.087 -0.336 -2.835 1.00 0.00 C ATOM 859 CD LYS B 4 7.188 0.610 -4.019 1.00 0.00 C ATOM 860 CE LYS B 4 7.078 2.064 -3.586 1.00 0.00 C ATOM 861 NZ LYS B 4 7.250 3.000 -4.731 1.00 0.00 N ATOM 0 H LYS B 4 3.487 -0.893 -1.153 1.00 0.00 H new ATOM 0 HA LYS B 4 6.211 -1.885 -0.827 1.00 0.00 H new ATOM 0 HB2 LYS B 4 5.042 -0.946 -2.972 1.00 0.00 H new ATOM 0 HB3 LYS B 4 5.274 0.630 -2.243 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.774 -0.016 -2.052 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.394 -1.336 -3.139 1.00 0.00 H new ATOM 0 HD2 LYS B 4 8.138 0.453 -4.531 1.00 0.00 H new ATOM 0 HD3 LYS B 4 6.399 0.383 -4.735 1.00 0.00 H new ATOM 0 HE2 LYS B 4 6.106 2.232 -3.123 1.00 0.00 H new ATOM 0 HE3 LYS B 4 7.833 2.275 -2.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 7.489 3.947 -4.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 8.016 2.659 -5.346 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 6.365 3.049 -5.275 1.00 0.00 H new ATOM 875 N GLN B 5 7.312 0.282 0.183 1.00 0.00 N ATOM 876 CA GLN B 5 7.877 1.235 1.132 1.00 0.00 C ATOM 877 C GLN B 5 8.436 2.449 0.397 1.00 0.00 C ATOM 878 O GLN B 5 9.649 2.589 0.235 1.00 0.00 O ATOM 879 CB GLN B 5 8.975 0.571 1.967 1.00 0.00 C ATOM 880 CG GLN B 5 8.477 -0.589 2.813 1.00 0.00 C ATOM 881 CD GLN B 5 9.560 -1.175 3.698 1.00 0.00 C ATOM 882 OE1 GLN B 5 10.480 -0.474 4.120 1.00 0.00 O ATOM 883 NE2 GLN B 5 9.456 -2.468 3.984 1.00 0.00 N ATOM 0 H GLN B 5 7.994 -0.132 -0.453 1.00 0.00 H new ATOM 0 HA GLN B 5 7.083 1.567 1.801 1.00 0.00 H new ATOM 0 HB2 GLN B 5 9.760 0.213 1.301 1.00 0.00 H new ATOM 0 HB3 GLN B 5 9.426 1.319 2.620 1.00 0.00 H new ATOM 0 HG2 GLN B 5 7.649 -0.250 3.435 1.00 0.00 H new ATOM 0 HG3 GLN B 5 8.086 -1.369 2.159 1.00 0.00 H new ATOM 0 HE21 GLN B 5 8.677 -3.011 3.613 1.00 0.00 H new ATOM 0 HE22 GLN B 5 10.155 -2.917 4.575 1.00 0.00 H new ATOM 892 N THR B 6 7.538 3.323 -0.046 1.00 0.00 N ATOM 893 CA THR B 6 7.923 4.527 -0.775 1.00 0.00 C ATOM 894 C THR B 6 8.514 5.583 0.156 1.00 0.00 C ATOM 895 O THR B 6 8.570 5.395 1.372 1.00 0.00 O ATOM 896 CB THR B 6 6.714 5.130 -1.514 1.00 0.00 C ATOM 897 OG1 THR B 6 7.108 6.296 -2.248 1.00 0.00 O ATOM 898 CG2 THR B 6 5.614 5.491 -0.528 1.00 0.00 C ATOM 0 H THR B 6 6.532 3.219 0.088 1.00 0.00 H new ATOM 0 HA THR B 6 8.683 4.231 -1.498 1.00 0.00 H new ATOM 0 HB THR B 6 6.333 4.384 -2.211 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.312 6.740 -2.609 1.00 0.00 H new ATOM 0 HG21 THR B 6 4.767 5.916 -1.067 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.293 4.595 0.003 1.00 0.00 H new ATOM 0 HG23 THR B 6 5.992 6.221 0.187 1.00 0.00 H new