USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 376 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 311 CYS SG : rot -119:sc= 0.081 USER MOD Set 1.2: A 314 CYS SG : rot 148:sc= 0.311 USER MOD Set 1.3: A 337 CYS SG : rot -47:sc= 0.424 USER MOD Set 1.4: A 340 CYS SG : rot 149:sc= 0.436 USER MOD Set 2.1: A 299 CYS SG : rot -140:sc= -4.15! USER MOD Set 2.2: A 302 CYS SG : rot 110:sc= -1.41! USER MOD Set 2.3: A 319 HIS : no HD1:sc= -0.354 K(o=-10,f=-13!) USER MOD Set 2.4: A 322 CYS SG : rot 153:sc= -4.34! USER MOD Set 3.1: A 295 ASN : amide:sc= -3.39! C(o=-5.5!,f=-9!) USER MOD Set 3.2: A 310 CYS SG : rot -61:sc= -2.12! USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 5:sc= 0.868 USER MOD Single : A 334 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 SER OG : rot 180:sc= -0.215 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 156:sc= -0.0652 (180deg=-0.182) USER MOD Single : B 3 THR OG1 : rot -7:sc= 0.803! USER MOD Single : B 4 LYS NZ :NH3+ -107:sc= 0.452 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= -1.09 K(o=-1.1,f=0.0019) USER MOD Single : B 6 THR OG1 : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 295 1.907 1.457 -7.972 1.00 0.00 N ATOM 44 CA ASN A 295 0.931 2.540 -7.891 1.00 0.00 C ATOM 45 C ASN A 295 1.611 3.906 -7.925 1.00 0.00 C ATOM 46 O ASN A 295 2.786 4.019 -8.277 1.00 0.00 O ATOM 47 CB ASN A 295 0.102 2.406 -6.613 1.00 0.00 C ATOM 48 CG ASN A 295 0.967 2.195 -5.386 1.00 0.00 C ATOM 49 OD1 ASN A 295 2.110 2.651 -5.329 1.00 0.00 O ATOM 50 ND2 ASN A 295 0.426 1.502 -4.391 1.00 0.00 N ATOM 0 HA ASN A 295 0.276 2.465 -8.759 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -0.502 3.303 -6.479 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -0.588 1.569 -6.716 1.00 0.00 H new ATOM 0 HD21 ASN A 295 0.961 1.330 -3.539 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -0.524 1.142 -4.478 1.00 0.00 H new ATOM 57 N GLU A 296 0.863 4.944 -7.556 1.00 0.00 N ATOM 58 CA GLU A 296 1.395 6.302 -7.541 1.00 0.00 C ATOM 59 C GLU A 296 2.441 6.460 -6.439 1.00 0.00 C ATOM 60 O GLU A 296 3.161 7.458 -6.385 1.00 0.00 O ATOM 61 CB GLU A 296 0.259 7.310 -7.337 1.00 0.00 C ATOM 62 CG GLU A 296 0.674 8.752 -7.559 1.00 0.00 C ATOM 63 CD GLU A 296 1.264 8.987 -8.935 1.00 0.00 C ATOM 64 OE1 GLU A 296 0.491 9.302 -9.866 1.00 0.00 O ATOM 65 OE2 GLU A 296 2.497 8.857 -9.084 1.00 0.00 O ATOM 0 H GLU A 296 -0.111 4.869 -7.264 1.00 0.00 H new ATOM 0 HA GLU A 296 1.874 6.495 -8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -0.557 7.067 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -0.130 7.205 -6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -0.192 9.400 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 296 1.405 9.036 -6.802 1.00 0.00 H new ATOM 72 N ASP A 297 2.523 5.452 -5.571 1.00 0.00 N ATOM 73 CA ASP A 297 3.470 5.450 -4.457 1.00 0.00 C ATOM 74 C ASP A 297 3.241 6.648 -3.540 1.00 0.00 C ATOM 75 O ASP A 297 4.182 7.179 -2.950 1.00 0.00 O ATOM 76 CB ASP A 297 4.916 5.456 -4.965 1.00 0.00 C ATOM 77 CG ASP A 297 5.046 4.934 -6.383 1.00 0.00 C ATOM 78 OD1 ASP A 297 4.983 3.701 -6.571 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.216 5.763 -7.304 1.00 0.00 O ATOM 0 H ASP A 297 1.938 4.618 -5.620 1.00 0.00 H new ATOM 0 HA ASP A 297 3.301 4.536 -3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.307 6.472 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.531 4.848 -4.302 1.00 0.00 H new ATOM 84 N GLU A 298 1.984 7.070 -3.428 1.00 0.00 N ATOM 85 CA GLU A 298 1.627 8.200 -2.576 1.00 0.00 C ATOM 86 C GLU A 298 0.371 7.894 -1.769 1.00 0.00 C ATOM 87 O GLU A 298 -0.686 7.612 -2.334 1.00 0.00 O ATOM 88 CB GLU A 298 1.412 9.460 -3.408 1.00 0.00 C ATOM 89 CG GLU A 298 2.608 9.844 -4.265 1.00 0.00 C ATOM 90 CD GLU A 298 2.418 11.171 -4.972 1.00 0.00 C ATOM 91 OE1 GLU A 298 2.751 12.216 -4.373 1.00 0.00 O ATOM 92 OE2 GLU A 298 1.935 11.168 -6.123 1.00 0.00 O ATOM 0 H GLU A 298 1.196 6.646 -3.917 1.00 0.00 H new ATOM 0 HA GLU A 298 2.454 8.371 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 298 0.546 9.314 -4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 298 1.175 10.288 -2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 298 3.498 9.895 -3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 298 2.785 9.064 -5.006 1.00 0.00 H new ATOM 99 N CYS A 299 0.493 7.949 -0.446 1.00 0.00 N ATOM 100 CA CYS A 299 -0.634 7.679 0.438 1.00 0.00 C ATOM 101 C CYS A 299 -1.750 8.695 0.219 1.00 0.00 C ATOM 102 O CYS A 299 -1.645 9.849 0.635 1.00 0.00 O ATOM 103 CB CYS A 299 -0.177 7.700 1.889 1.00 0.00 C ATOM 104 SG CYS A 299 -1.527 7.816 3.106 1.00 0.00 S ATOM 0 H CYS A 299 1.362 8.178 0.037 1.00 0.00 H new ATOM 0 HA CYS A 299 -1.025 6.689 0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.398 6.796 2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.497 8.544 2.032 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.178 8.621 4.066 1.00 0.00 H new ATOM 109 N ALA A 300 -2.826 8.245 -0.418 1.00 0.00 N ATOM 110 CA ALA A 300 -3.964 9.103 -0.729 1.00 0.00 C ATOM 111 C ALA A 300 -4.690 9.620 0.517 1.00 0.00 C ATOM 112 O ALA A 300 -5.743 10.248 0.397 1.00 0.00 O ATOM 113 CB ALA A 300 -4.938 8.358 -1.633 1.00 0.00 C ATOM 0 H ALA A 300 -2.934 7.280 -0.732 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.569 9.980 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.787 9.002 -1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.434 8.078 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.291 7.460 -1.126 1.00 0.00 H new ATOM 119 N VAL A 301 -4.146 9.365 1.707 1.00 0.00 N ATOM 120 CA VAL A 301 -4.790 9.835 2.935 1.00 0.00 C ATOM 121 C VAL A 301 -4.009 10.973 3.599 1.00 0.00 C ATOM 122 O VAL A 301 -4.611 11.886 4.167 1.00 0.00 O ATOM 123 CB VAL A 301 -5.004 8.696 3.962 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.765 7.343 3.323 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.129 8.883 5.194 1.00 0.00 C ATOM 0 H VAL A 301 -3.279 8.847 1.847 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.765 10.212 2.625 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.042 8.737 4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -4.921 6.558 4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.460 7.204 2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.742 7.292 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.305 8.066 5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.080 8.887 4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.374 9.830 5.674 1.00 0.00 H new ATOM 135 N CYS A 302 -2.678 10.927 3.532 1.00 0.00 N ATOM 136 CA CYS A 302 -1.866 11.962 4.173 1.00 0.00 C ATOM 137 C CYS A 302 -0.712 12.422 3.282 1.00 0.00 C ATOM 138 O CYS A 302 0.240 13.045 3.752 1.00 0.00 O ATOM 139 CB CYS A 302 -1.347 11.472 5.534 1.00 0.00 C ATOM 140 SG CYS A 302 0.092 10.355 5.462 1.00 0.00 S ATOM 0 H CYS A 302 -2.148 10.200 3.051 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.508 12.828 4.334 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.082 12.340 6.138 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.158 10.960 6.051 1.00 0.00 H new ATOM 0 HG CYS A 302 1.143 10.971 5.916 1.00 0.00 H new ATOM 145 N ARG A 303 -0.822 12.114 1.992 1.00 0.00 N ATOM 146 CA ARG A 303 0.179 12.501 0.995 1.00 0.00 C ATOM 147 C ARG A 303 1.616 12.313 1.488 1.00 0.00 C ATOM 148 O ARG A 303 2.494 13.111 1.158 1.00 0.00 O ATOM 149 CB ARG A 303 -0.035 13.959 0.577 1.00 0.00 C ATOM 150 CG ARG A 303 -1.427 14.248 0.040 1.00 0.00 C ATOM 151 CD ARG A 303 -1.743 13.391 -1.172 1.00 0.00 C ATOM 152 NE ARG A 303 -0.866 13.689 -2.299 1.00 0.00 N ATOM 153 CZ ARG A 303 -1.217 13.526 -3.571 1.00 0.00 C ATOM 154 NH1 ARG A 303 -2.427 13.076 -3.878 1.00 0.00 N ATOM 155 NH2 ARG A 303 -0.357 13.814 -4.539 1.00 0.00 N ATOM 0 H ARG A 303 -1.607 11.589 1.606 1.00 0.00 H new ATOM 0 HA ARG A 303 0.043 11.839 0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 303 0.154 14.604 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.699 14.220 -0.185 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.165 14.063 0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.504 15.302 -0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -1.646 12.338 -0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -2.780 13.551 -1.468 1.00 0.00 H new ATOM 0 HE ARG A 303 0.070 14.043 -2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -3.092 12.854 -3.137 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -2.692 12.952 -4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 303 0.574 14.161 -4.308 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -0.627 13.689 -5.515 1.00 0.00 H new ATOM 169 N ASP A 304 1.860 11.264 2.265 1.00 0.00 N ATOM 170 CA ASP A 304 3.204 10.994 2.771 1.00 0.00 C ATOM 171 C ASP A 304 3.753 9.698 2.185 1.00 0.00 C ATOM 172 O ASP A 304 3.030 8.946 1.529 1.00 0.00 O ATOM 173 CB ASP A 304 3.211 10.923 4.299 1.00 0.00 C ATOM 174 CG ASP A 304 3.080 12.289 4.944 1.00 0.00 C ATOM 175 OD1 ASP A 304 3.987 13.126 4.752 1.00 0.00 O ATOM 176 OD2 ASP A 304 2.072 12.523 5.643 1.00 0.00 O ATOM 0 H ASP A 304 1.152 10.590 2.558 1.00 0.00 H new ATOM 0 HA ASP A 304 3.847 11.818 2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.392 10.287 4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 304 4.136 10.454 4.634 1.00 0.00 H new ATOM 181 N GLY A 305 5.036 9.443 2.427 1.00 0.00 N ATOM 182 CA GLY A 305 5.663 8.241 1.912 1.00 0.00 C ATOM 183 C GLY A 305 5.906 7.199 2.984 1.00 0.00 C ATOM 184 O GLY A 305 5.719 7.461 4.172 1.00 0.00 O ATOM 0 H GLY A 305 5.651 10.048 2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 305 5.032 7.813 1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.612 8.504 1.445 1.00 0.00 H new ATOM 188 N GLY A 306 6.333 6.016 2.557 1.00 0.00 N ATOM 189 CA GLY A 306 6.588 4.927 3.481 1.00 0.00 C ATOM 190 C GLY A 306 5.893 3.656 3.044 1.00 0.00 C ATOM 191 O GLY A 306 5.722 3.420 1.848 1.00 0.00 O ATOM 0 H GLY A 306 6.508 5.791 1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.661 4.751 3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.246 5.206 4.478 1.00 0.00 H new ATOM 195 N GLU A 307 5.490 2.829 4.003 1.00 0.00 N ATOM 196 CA GLU A 307 4.802 1.591 3.684 1.00 0.00 C ATOM 197 C GLU A 307 3.351 1.869 3.311 1.00 0.00 C ATOM 198 O GLU A 307 2.557 2.298 4.148 1.00 0.00 O ATOM 199 CB GLU A 307 4.862 0.638 4.878 1.00 0.00 C ATOM 200 CG GLU A 307 4.172 -0.695 4.634 1.00 0.00 C ATOM 201 CD GLU A 307 4.735 -1.438 3.438 1.00 0.00 C ATOM 202 OE1 GLU A 307 5.693 -2.217 3.620 1.00 0.00 O ATOM 203 OE2 GLU A 307 4.216 -1.241 2.319 1.00 0.00 O ATOM 0 H GLU A 307 5.628 2.995 5.000 1.00 0.00 H new ATOM 0 HA GLU A 307 5.297 1.126 2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 307 5.906 0.455 5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.403 1.122 5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.271 -1.318 5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 307 3.106 -0.525 4.481 1.00 0.00 H new ATOM 210 N LEU A 308 3.009 1.621 2.049 1.00 0.00 N ATOM 211 CA LEU A 308 1.648 1.840 1.578 1.00 0.00 C ATOM 212 C LEU A 308 1.110 0.589 0.888 1.00 0.00 C ATOM 213 O LEU A 308 1.872 -0.196 0.330 1.00 0.00 O ATOM 214 CB LEU A 308 1.573 3.021 0.608 1.00 0.00 C ATOM 215 CG LEU A 308 2.673 4.067 0.721 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.628 4.991 -0.485 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.504 4.864 1.997 1.00 0.00 C ATOM 0 H LEU A 308 3.653 1.270 1.340 1.00 0.00 H new ATOM 0 HA LEU A 308 1.037 2.067 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.580 2.628 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.614 3.519 0.751 1.00 0.00 H new ATOM 0 HG LEU A 308 3.641 3.566 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.417 5.738 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.775 4.409 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.659 5.489 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.296 5.609 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.535 5.364 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.559 4.194 2.855 1.00 0.00 H new ATOM 229 N ILE A 309 -0.208 0.425 0.925 1.00 0.00 N ATOM 230 CA ILE A 309 -0.869 -0.726 0.317 1.00 0.00 C ATOM 231 C ILE A 309 -1.729 -0.314 -0.879 1.00 0.00 C ATOM 232 O ILE A 309 -2.615 0.532 -0.762 1.00 0.00 O ATOM 233 CB ILE A 309 -1.747 -1.445 1.353 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.536 -2.583 0.710 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.682 -0.454 2.019 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.359 -3.373 1.703 1.00 0.00 C ATOM 0 H ILE A 309 -0.846 1.082 1.374 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.090 -1.401 -0.036 1.00 0.00 H new ATOM 0 HB ILE A 309 -1.097 -1.880 2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -3.196 -2.172 -0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.844 -3.256 0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -3.300 -0.973 2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -2.097 0.318 2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.321 0.006 1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.895 -4.166 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.701 -3.812 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -4.075 -2.711 2.191 1.00 0.00 H new ATOM 248 N CYS A 310 -1.470 -0.940 -2.022 1.00 0.00 N ATOM 249 CA CYS A 310 -2.192 -0.641 -3.258 1.00 0.00 C ATOM 250 C CYS A 310 -3.557 -1.320 -3.304 1.00 0.00 C ATOM 251 O CYS A 310 -3.708 -2.458 -2.855 1.00 0.00 O ATOM 252 CB CYS A 310 -1.371 -1.109 -4.459 1.00 0.00 C ATOM 253 SG CYS A 310 -1.910 -0.412 -6.038 1.00 0.00 S ATOM 0 H CYS A 310 -0.759 -1.665 -2.120 1.00 0.00 H new ATOM 0 HA CYS A 310 -2.345 0.438 -3.291 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.326 -0.846 -4.296 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -1.421 -2.196 -4.518 1.00 0.00 H new ATOM 0 HG CYS A 310 -3.136 -0.772 -6.275 1.00 0.00 H new ATOM 259 N CYS A 311 -4.551 -0.619 -3.852 1.00 0.00 N ATOM 260 CA CYS A 311 -5.891 -1.188 -3.983 1.00 0.00 C ATOM 261 C CYS A 311 -5.963 -2.061 -5.232 1.00 0.00 C ATOM 262 O CYS A 311 -5.256 -1.816 -6.211 1.00 0.00 O ATOM 263 CB CYS A 311 -6.973 -0.099 -4.058 1.00 0.00 C ATOM 264 SG CYS A 311 -8.627 -0.769 -4.452 1.00 0.00 S ATOM 0 H CYS A 311 -4.455 0.332 -4.208 1.00 0.00 H new ATOM 0 HA CYS A 311 -6.080 -1.789 -3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -7.017 0.429 -3.105 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -6.693 0.633 -4.815 1.00 0.00 H new ATOM 0 HG CYS A 311 -9.050 -0.253 -5.568 1.00 0.00 H new ATOM 269 N ASP A 312 -6.815 -3.079 -5.194 1.00 0.00 N ATOM 270 CA ASP A 312 -6.976 -3.983 -6.326 1.00 0.00 C ATOM 271 C ASP A 312 -7.883 -3.361 -7.382 1.00 0.00 C ATOM 272 O ASP A 312 -8.969 -3.869 -7.665 1.00 0.00 O ATOM 273 CB ASP A 312 -7.549 -5.325 -5.862 1.00 0.00 C ATOM 274 CG ASP A 312 -7.582 -6.358 -6.971 1.00 0.00 C ATOM 275 OD1 ASP A 312 -6.538 -6.996 -7.220 1.00 0.00 O ATOM 276 OD2 ASP A 312 -8.652 -6.527 -7.593 1.00 0.00 O ATOM 0 H ASP A 312 -7.405 -3.299 -4.391 1.00 0.00 H new ATOM 0 HA ASP A 312 -5.995 -4.156 -6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -6.950 -5.705 -5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -8.559 -5.173 -5.482 1.00 0.00 H new ATOM 281 N GLY A 313 -7.429 -2.254 -7.959 1.00 0.00 N ATOM 282 CA GLY A 313 -8.206 -1.573 -8.974 1.00 0.00 C ATOM 283 C GLY A 313 -7.924 -0.085 -9.020 1.00 0.00 C ATOM 284 O GLY A 313 -8.081 0.548 -10.065 1.00 0.00 O ATOM 0 H GLY A 313 -6.534 -1.816 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -7.988 -2.011 -9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -9.267 -1.733 -8.783 1.00 0.00 H new ATOM 288 N CYS A 314 -7.507 0.480 -7.888 1.00 0.00 N ATOM 289 CA CYS A 314 -7.207 1.906 -7.821 1.00 0.00 C ATOM 290 C CYS A 314 -5.704 2.155 -7.725 1.00 0.00 C ATOM 291 O CYS A 314 -4.956 1.326 -7.210 1.00 0.00 O ATOM 292 CB CYS A 314 -7.908 2.561 -6.630 1.00 0.00 C ATOM 293 SG CYS A 314 -9.698 2.238 -6.544 1.00 0.00 S ATOM 0 H CYS A 314 -7.371 -0.025 -7.012 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.578 2.353 -8.743 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -7.442 2.208 -5.710 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -7.747 3.638 -6.676 1.00 0.00 H new ATOM 0 HG CYS A 314 -10.072 2.197 -5.300 1.00 0.00 H new ATOM 298 N PRO A 315 -5.253 3.325 -8.209 1.00 0.00 N ATOM 299 CA PRO A 315 -3.846 3.718 -8.195 1.00 0.00 C ATOM 300 C PRO A 315 -3.435 4.315 -6.857 1.00 0.00 C ATOM 301 O PRO A 315 -2.426 5.017 -6.764 1.00 0.00 O ATOM 302 CB PRO A 315 -3.763 4.799 -9.284 1.00 0.00 C ATOM 303 CG PRO A 315 -5.154 4.982 -9.810 1.00 0.00 C ATOM 304 CD PRO A 315 -6.081 4.370 -8.800 1.00 0.00 C ATOM 0 HA PRO A 315 -3.187 2.866 -8.361 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.377 5.733 -8.875 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.084 4.495 -10.081 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -5.379 6.039 -9.951 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -5.267 4.500 -10.781 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.410 5.097 -8.057 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.978 3.963 -9.266 1.00 0.00 H new ATOM 312 N ARG A 316 -4.218 4.028 -5.826 1.00 0.00 N ATOM 313 CA ARG A 316 -3.949 4.569 -4.501 1.00 0.00 C ATOM 314 C ARG A 316 -3.239 3.573 -3.599 1.00 0.00 C ATOM 315 O ARG A 316 -3.266 2.361 -3.826 1.00 0.00 O ATOM 316 CB ARG A 316 -5.246 5.013 -3.831 1.00 0.00 C ATOM 317 CG ARG A 316 -5.824 6.292 -4.405 1.00 0.00 C ATOM 318 CD ARG A 316 -7.129 6.647 -3.717 1.00 0.00 C ATOM 319 NE ARG A 316 -8.247 5.847 -4.210 1.00 0.00 N ATOM 320 CZ ARG A 316 -9.491 5.960 -3.754 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.772 6.832 -2.795 1.00 0.00 N ATOM 322 NH2 ARG A 316 -10.455 5.199 -4.255 1.00 0.00 N ATOM 0 H ARG A 316 -5.040 3.427 -5.881 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.289 5.425 -4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.984 4.217 -3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.064 5.153 -2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.110 7.106 -4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.992 6.173 -5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.024 6.498 -2.642 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -7.344 7.704 -3.873 1.00 0.00 H new ATOM 0 HE ARG A 316 -8.063 5.164 -4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -9.033 7.418 -2.406 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.727 6.917 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -10.243 4.526 -4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -11.409 5.287 -3.904 1.00 0.00 H new ATOM 336 N ALA A 317 -2.615 4.121 -2.565 1.00 0.00 N ATOM 337 CA ALA A 317 -1.894 3.340 -1.579 1.00 0.00 C ATOM 338 C ALA A 317 -2.166 3.908 -0.185 1.00 0.00 C ATOM 339 O ALA A 317 -2.285 5.121 -0.025 1.00 0.00 O ATOM 340 CB ALA A 317 -0.409 3.349 -1.896 1.00 0.00 C ATOM 0 H ALA A 317 -2.597 5.126 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.236 2.305 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.126 2.760 -1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.245 2.919 -2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.040 4.375 -1.881 1.00 0.00 H new ATOM 346 N PHE A 318 -2.283 3.043 0.818 1.00 0.00 N ATOM 347 CA PHE A 318 -2.577 3.502 2.179 1.00 0.00 C ATOM 348 C PHE A 318 -1.526 3.050 3.199 1.00 0.00 C ATOM 349 O PHE A 318 -0.970 1.960 3.099 1.00 0.00 O ATOM 350 CB PHE A 318 -3.962 3.001 2.599 1.00 0.00 C ATOM 351 CG PHE A 318 -5.093 3.637 1.847 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.273 3.383 0.504 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.981 4.483 2.490 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.313 3.958 -0.190 1.00 0.00 C ATOM 355 CE2 PHE A 318 -7.026 5.065 1.802 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.194 4.801 0.458 1.00 0.00 C ATOM 0 H PHE A 318 -2.181 2.033 0.721 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.556 4.592 2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -4.006 1.921 2.456 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -4.097 3.187 3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.589 2.724 -0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.854 4.690 3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.440 3.750 -1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.710 5.725 2.314 1.00 0.00 H new ATOM 0 HZ PHE A 318 -8.011 5.252 -0.085 1.00 0.00 H new ATOM 366 N HIS A 319 -1.286 3.904 4.197 1.00 0.00 N ATOM 367 CA HIS A 319 -0.307 3.628 5.255 1.00 0.00 C ATOM 368 C HIS A 319 -0.838 2.632 6.281 1.00 0.00 C ATOM 369 O HIS A 319 -0.531 2.753 7.468 1.00 0.00 O ATOM 370 CB HIS A 319 0.042 4.915 5.995 1.00 0.00 C ATOM 371 CG HIS A 319 1.227 5.651 5.477 1.00 0.00 C ATOM 372 ND1 HIS A 319 1.169 6.984 5.152 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.504 5.261 5.267 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.365 7.391 4.768 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.194 6.363 4.828 1.00 0.00 N ATOM 0 H HIS A 319 -1.761 4.801 4.296 1.00 0.00 H new ATOM 0 HA HIS A 319 0.571 3.205 4.767 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -0.821 5.580 5.959 1.00 0.00 H new ATOM 0 HB3 HIS A 319 0.215 4.675 7.044 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.905 4.270 5.416 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.622 8.393 4.458 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.185 6.385 4.587 1.00 0.00 H new ATOM 383 N LEU A 320 -1.639 1.670 5.841 1.00 0.00 N ATOM 384 CA LEU A 320 -2.191 0.668 6.747 1.00 0.00 C ATOM 385 C LEU A 320 -3.135 1.311 7.753 1.00 0.00 C ATOM 386 O LEU A 320 -4.355 1.237 7.616 1.00 0.00 O ATOM 387 CB LEU A 320 -1.070 -0.053 7.490 1.00 0.00 C ATOM 388 CG LEU A 320 -0.007 -0.721 6.616 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.417 -2.030 7.226 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.523 -0.941 5.208 1.00 0.00 C ATOM 0 H LEU A 320 -1.921 1.561 4.867 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.749 -0.053 6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.575 0.664 8.145 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.516 -0.814 8.130 1.00 0.00 H new ATOM 0 HG LEU A 320 0.857 -0.058 6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.174 -2.497 6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.831 -1.852 8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.446 -2.691 7.306 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.252 -1.417 4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.404 -1.583 5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.789 0.018 4.764 1.00 0.00 H new ATOM 402 N ALA A 321 -2.554 1.936 8.770 1.00 0.00 N ATOM 403 CA ALA A 321 -3.324 2.607 9.801 1.00 0.00 C ATOM 404 C ALA A 321 -3.950 3.885 9.260 1.00 0.00 C ATOM 405 O ALA A 321 -4.855 4.453 9.873 1.00 0.00 O ATOM 406 CB ALA A 321 -2.438 2.904 10.998 1.00 0.00 C ATOM 0 H ALA A 321 -1.544 1.990 8.900 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.132 1.949 10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.023 3.408 11.768 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.041 1.971 11.397 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.614 3.547 10.690 1.00 0.00 H new ATOM 412 N CYS A 322 -3.462 4.334 8.105 1.00 0.00 N ATOM 413 CA CYS A 322 -3.998 5.547 7.477 1.00 0.00 C ATOM 414 C CYS A 322 -5.374 5.259 6.888 1.00 0.00 C ATOM 415 O CYS A 322 -6.059 6.153 6.394 1.00 0.00 O ATOM 416 CB CYS A 322 -3.061 6.069 6.382 1.00 0.00 C ATOM 417 SG CYS A 322 -1.900 7.372 6.945 1.00 0.00 S ATOM 0 H CYS A 322 -2.706 3.885 7.588 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.082 6.317 8.244 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.486 5.234 5.983 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.662 6.463 5.562 1.00 0.00 H new ATOM 0 HG CYS A 322 -0.829 7.347 6.208 1.00 0.00 H new ATOM 422 N LEU A 323 -5.758 3.991 6.953 1.00 0.00 N ATOM 423 CA LEU A 323 -7.042 3.529 6.442 1.00 0.00 C ATOM 424 C LEU A 323 -8.141 3.719 7.474 1.00 0.00 C ATOM 425 O LEU A 323 -7.853 3.861 8.663 1.00 0.00 O ATOM 426 CB LEU A 323 -6.948 2.039 6.116 1.00 0.00 C ATOM 427 CG LEU A 323 -6.443 1.700 4.733 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.856 0.298 4.717 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.575 1.824 3.740 1.00 0.00 C ATOM 0 H LEU A 323 -5.187 3.252 7.363 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.281 4.110 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.292 1.567 6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.936 1.596 6.240 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.654 2.397 4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.496 0.066 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -5.027 0.243 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.624 -0.421 5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.212 1.580 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.376 1.137 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.955 2.845 3.748 1.00 0.00 H new ATOM 441 N SER A 324 -9.400 3.735 7.029 1.00 0.00 N ATOM 442 CA SER A 324 -10.497 3.839 7.983 1.00 0.00 C ATOM 443 C SER A 324 -10.315 2.691 8.968 1.00 0.00 C ATOM 444 O SER A 324 -10.281 2.907 10.181 1.00 0.00 O ATOM 445 CB SER A 324 -11.873 3.810 7.299 1.00 0.00 C ATOM 446 OG SER A 324 -12.914 3.698 8.253 1.00 0.00 O ATOM 0 H SER A 324 -9.676 3.679 6.049 1.00 0.00 H new ATOM 0 HA SER A 324 -10.471 4.799 8.499 1.00 0.00 H new ATOM 0 HB2 SER A 324 -12.010 4.718 6.712 1.00 0.00 H new ATOM 0 HB3 SER A 324 -11.920 2.971 6.605 1.00 0.00 H new ATOM 0 HG SER A 324 -13.779 3.683 7.793 1.00 0.00 H new ATOM 452 N PRO A 325 -10.193 1.441 8.459 1.00 0.00 N ATOM 453 CA PRO A 325 -9.895 0.287 9.268 1.00 0.00 C ATOM 454 C PRO A 325 -8.417 -0.044 9.088 1.00 0.00 C ATOM 455 O PRO A 325 -7.966 -0.281 7.967 1.00 0.00 O ATOM 456 CB PRO A 325 -10.784 -0.781 8.659 1.00 0.00 C ATOM 457 CG PRO A 325 -10.944 -0.390 7.216 1.00 0.00 C ATOM 458 CD PRO A 325 -10.393 1.013 7.064 1.00 0.00 C ATOM 0 HA PRO A 325 -10.069 0.406 10.337 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.332 -1.768 8.751 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.749 -0.824 9.164 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.409 -1.085 6.568 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -11.993 -0.424 6.923 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.460 1.022 6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.089 1.666 6.537 1.00 0.00 H new ATOM 466 N PRO A 326 -7.638 -0.075 10.169 1.00 0.00 N ATOM 467 CA PRO A 326 -6.202 -0.299 10.074 1.00 0.00 C ATOM 468 C PRO A 326 -5.814 -1.749 9.882 1.00 0.00 C ATOM 469 O PRO A 326 -6.346 -2.655 10.524 1.00 0.00 O ATOM 470 CB PRO A 326 -5.696 0.240 11.392 1.00 0.00 C ATOM 471 CG PRO A 326 -6.793 -0.058 12.349 1.00 0.00 C ATOM 472 CD PRO A 326 -8.083 0.047 11.567 1.00 0.00 C ATOM 0 HA PRO A 326 -5.775 0.186 9.196 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -4.765 -0.243 11.689 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.496 1.310 11.335 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.677 -1.055 12.774 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.785 0.646 13.181 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.783 -0.743 11.837 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.588 0.996 11.748 1.00 0.00 H new ATOM 480 N LEU A 327 -4.869 -1.938 8.978 1.00 0.00 N ATOM 481 CA LEU A 327 -4.359 -3.249 8.642 1.00 0.00 C ATOM 482 C LEU A 327 -3.274 -3.689 9.614 1.00 0.00 C ATOM 483 O LEU A 327 -2.085 -3.605 9.303 1.00 0.00 O ATOM 484 CB LEU A 327 -3.805 -3.224 7.223 1.00 0.00 C ATOM 485 CG LEU A 327 -4.714 -2.548 6.211 1.00 0.00 C ATOM 486 CD1 LEU A 327 -4.026 -2.401 4.874 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.989 -3.337 6.064 1.00 0.00 C ATOM 0 H LEU A 327 -4.433 -1.179 8.455 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.178 -3.966 8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.843 -2.712 7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.618 -4.248 6.900 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.952 -1.548 6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.700 -1.914 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -3.126 -1.797 4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.754 -3.386 4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.638 -2.848 5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.756 -4.345 5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.498 -3.389 7.027 1.00 0.00 H new ATOM 499 N ARG A 328 -3.686 -4.144 10.795 1.00 0.00 N ATOM 500 CA ARG A 328 -2.741 -4.631 11.798 1.00 0.00 C ATOM 501 C ARG A 328 -1.779 -5.604 11.141 1.00 0.00 C ATOM 502 O ARG A 328 -0.660 -5.824 11.604 1.00 0.00 O ATOM 503 CB ARG A 328 -3.488 -5.345 12.920 1.00 0.00 C ATOM 504 CG ARG A 328 -4.036 -4.426 14.000 1.00 0.00 C ATOM 505 CD ARG A 328 -4.866 -3.286 13.428 1.00 0.00 C ATOM 506 NE ARG A 328 -5.445 -2.458 14.483 1.00 0.00 N ATOM 507 CZ ARG A 328 -5.018 -1.234 14.780 1.00 0.00 C ATOM 508 NH1 ARG A 328 -4.011 -0.696 14.106 1.00 0.00 N ATOM 509 NH2 ARG A 328 -5.600 -0.548 15.754 1.00 0.00 N ATOM 0 H ARG A 328 -4.664 -4.186 11.081 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.194 -3.786 12.216 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.314 -5.909 12.487 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -2.817 -6.068 13.383 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -4.648 -5.006 14.690 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -3.208 -4.014 14.577 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -4.241 -2.669 12.783 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -5.663 -3.693 12.806 1.00 0.00 H new ATOM 0 HE ARG A 328 -6.221 -2.841 15.023 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -3.561 -1.221 13.356 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -3.687 0.243 14.337 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -6.375 -0.959 16.275 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -5.273 0.391 15.982 1.00 0.00 H new ATOM 523 N GLU A 329 -2.252 -6.177 10.047 1.00 0.00 N ATOM 524 CA GLU A 329 -1.490 -7.134 9.265 1.00 0.00 C ATOM 525 C GLU A 329 -2.017 -7.147 7.840 1.00 0.00 C ATOM 526 O GLU A 329 -3.164 -7.520 7.590 1.00 0.00 O ATOM 527 CB GLU A 329 -1.570 -8.528 9.885 1.00 0.00 C ATOM 528 CG GLU A 329 -2.987 -8.957 10.224 1.00 0.00 C ATOM 529 CD GLU A 329 -3.038 -10.284 10.952 1.00 0.00 C ATOM 530 OE1 GLU A 329 -3.048 -11.333 10.275 1.00 0.00 O ATOM 531 OE2 GLU A 329 -3.070 -10.276 12.202 1.00 0.00 O ATOM 0 H GLU A 329 -3.183 -5.989 9.674 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.441 -6.837 9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -1.135 -9.250 9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.965 -8.550 10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.456 -8.191 10.841 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.570 -9.028 9.306 1.00 0.00 H new ATOM 538 N ILE A 330 -1.167 -6.725 6.919 1.00 0.00 N ATOM 539 CA ILE A 330 -1.521 -6.635 5.516 1.00 0.00 C ATOM 540 C ILE A 330 -2.352 -7.821 5.019 1.00 0.00 C ATOM 541 O ILE A 330 -2.057 -8.980 5.310 1.00 0.00 O ATOM 542 CB ILE A 330 -0.261 -6.454 4.644 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.292 -5.042 4.849 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.568 -6.700 3.172 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.743 -3.970 4.642 1.00 0.00 C ATOM 0 H ILE A 330 -0.211 -6.435 7.125 1.00 0.00 H new ATOM 0 HA ILE A 330 -2.155 -5.754 5.420 1.00 0.00 H new ATOM 0 HB ILE A 330 0.486 -7.187 4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.696 -4.959 5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.120 -4.878 4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.339 -6.565 2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.936 -7.718 3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.327 -5.994 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 330 -0.290 -2.991 4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -1.130 -4.029 3.625 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.560 -4.111 5.350 1.00 0.00 H new ATOM 557 N PRO A 331 -3.415 -7.505 4.249 1.00 0.00 N ATOM 558 CA PRO A 331 -4.339 -8.491 3.671 1.00 0.00 C ATOM 559 C PRO A 331 -3.625 -9.648 2.981 1.00 0.00 C ATOM 560 O PRO A 331 -2.457 -9.533 2.597 1.00 0.00 O ATOM 561 CB PRO A 331 -5.108 -7.674 2.644 1.00 0.00 C ATOM 562 CG PRO A 331 -5.104 -6.295 3.192 1.00 0.00 C ATOM 563 CD PRO A 331 -3.797 -6.127 3.888 1.00 0.00 C ATOM 0 HA PRO A 331 -4.956 -8.960 4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.630 -7.714 1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -6.124 -8.049 2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -5.218 -5.560 2.396 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.934 -6.148 3.883 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -3.054 -5.662 3.239 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.891 -5.493 4.770 1.00 0.00 H new ATOM 571 N SER A 332 -4.348 -10.748 2.795 1.00 0.00 N ATOM 572 CA SER A 332 -3.790 -11.932 2.154 1.00 0.00 C ATOM 573 C SER A 332 -4.071 -11.923 0.656 1.00 0.00 C ATOM 574 O SER A 332 -5.212 -12.089 0.226 1.00 0.00 O ATOM 575 CB SER A 332 -4.356 -13.197 2.787 1.00 0.00 C ATOM 576 OG SER A 332 -5.709 -13.399 2.418 1.00 0.00 O ATOM 0 H SER A 332 -5.323 -10.843 3.080 1.00 0.00 H new ATOM 0 HA SER A 332 -2.710 -11.918 2.301 1.00 0.00 H new ATOM 0 HB2 SER A 332 -3.761 -14.057 2.479 1.00 0.00 H new ATOM 0 HB3 SER A 332 -4.280 -13.128 3.872 1.00 0.00 H new ATOM 0 HG SER A 332 -5.974 -12.721 1.761 1.00 0.00 H new ATOM 582 N GLY A 333 -3.021 -11.725 -0.135 1.00 0.00 N ATOM 583 CA GLY A 333 -3.174 -11.699 -1.576 1.00 0.00 C ATOM 584 C GLY A 333 -3.645 -10.352 -2.089 1.00 0.00 C ATOM 585 O GLY A 333 -2.840 -9.441 -2.291 1.00 0.00 O ATOM 0 H GLY A 333 -2.067 -11.582 0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -2.221 -11.948 -2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -3.887 -12.467 -1.876 1.00 0.00 H new ATOM 589 N THR A 334 -4.955 -10.225 -2.294 1.00 0.00 N ATOM 590 CA THR A 334 -5.540 -8.987 -2.796 1.00 0.00 C ATOM 591 C THR A 334 -6.102 -8.128 -1.665 1.00 0.00 C ATOM 592 O THR A 334 -6.009 -8.488 -0.492 1.00 0.00 O ATOM 593 CB THR A 334 -6.662 -9.272 -3.813 1.00 0.00 C ATOM 594 OG1 THR A 334 -7.676 -10.083 -3.209 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.108 -9.975 -5.042 1.00 0.00 C ATOM 0 H THR A 334 -5.632 -10.968 -2.119 1.00 0.00 H new ATOM 0 HA THR A 334 -4.735 -8.441 -3.288 1.00 0.00 H new ATOM 0 HB THR A 334 -7.095 -8.321 -4.121 1.00 0.00 H new ATOM 0 HG1 THR A 334 -8.386 -10.258 -3.861 1.00 0.00 H new ATOM 0 HG21 THR A 334 -6.917 -10.167 -5.747 1.00 0.00 H new ATOM 0 HG22 THR A 334 -5.357 -9.343 -5.515 1.00 0.00 H new ATOM 0 HG23 THR A 334 -5.653 -10.920 -4.746 1.00 0.00 H new ATOM 603 N TRP A 335 -6.692 -6.993 -2.039 1.00 0.00 N ATOM 604 CA TRP A 335 -7.271 -6.057 -1.078 1.00 0.00 C ATOM 605 C TRP A 335 -7.868 -4.865 -1.807 1.00 0.00 C ATOM 606 O TRP A 335 -7.433 -4.518 -2.903 1.00 0.00 O ATOM 607 CB TRP A 335 -6.207 -5.591 -0.083 1.00 0.00 C ATOM 608 CG TRP A 335 -6.626 -4.438 0.779 1.00 0.00 C ATOM 609 CD1 TRP A 335 -7.286 -4.502 1.975 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.398 -3.050 0.522 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.461 -3.238 2.483 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.930 -2.332 1.606 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.789 -2.344 -0.520 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.870 -0.947 1.680 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.733 -0.965 -0.447 1.00 0.00 C ATOM 616 CH2 TRP A 335 -6.269 -0.279 0.649 1.00 0.00 C ATOM 0 H TRP A 335 -6.781 -6.698 -3.011 1.00 0.00 H new ATOM 0 HA TRP A 335 -8.062 -6.565 -0.527 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.936 -6.429 0.559 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.310 -5.309 -0.635 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.620 -5.412 2.450 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.913 -3.012 3.369 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.370 -2.867 -1.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -7.284 -0.415 2.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -5.269 -0.408 -1.248 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -6.207 0.799 0.681 1.00 0.00 H new ATOM 627 N ARG A 336 -8.863 -4.242 -1.195 1.00 0.00 N ATOM 628 CA ARG A 336 -9.525 -3.102 -1.800 1.00 0.00 C ATOM 629 C ARG A 336 -9.557 -1.901 -0.865 1.00 0.00 C ATOM 630 O ARG A 336 -9.606 -2.049 0.355 1.00 0.00 O ATOM 631 CB ARG A 336 -10.936 -3.510 -2.182 1.00 0.00 C ATOM 632 CG ARG A 336 -10.968 -4.567 -3.261 1.00 0.00 C ATOM 633 CD ARG A 336 -12.302 -4.554 -3.951 1.00 0.00 C ATOM 634 NE ARG A 336 -12.523 -5.746 -4.766 1.00 0.00 N ATOM 635 CZ ARG A 336 -13.106 -5.725 -5.962 1.00 0.00 C ATOM 636 NH1 ARG A 336 -13.520 -4.578 -6.483 1.00 0.00 N ATOM 637 NH2 ARG A 336 -13.270 -6.853 -6.640 1.00 0.00 N ATOM 0 H ARG A 336 -9.228 -4.508 -0.280 1.00 0.00 H new ATOM 0 HA ARG A 336 -8.964 -2.800 -2.685 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.453 -3.884 -1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.483 -2.632 -2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -10.173 -4.385 -3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.784 -5.549 -2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -13.093 -4.477 -3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -12.372 -3.668 -4.582 1.00 0.00 H new ATOM 0 HE ARG A 336 -12.213 -6.645 -4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -13.392 -3.708 -5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -13.966 -4.566 -7.400 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -12.949 -7.737 -6.245 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -13.717 -6.837 -7.557 1.00 0.00 H new ATOM 651 N CYS A 337 -9.532 -0.711 -1.455 1.00 0.00 N ATOM 652 CA CYS A 337 -9.561 0.524 -0.685 1.00 0.00 C ATOM 653 C CYS A 337 -10.955 0.737 -0.103 1.00 0.00 C ATOM 654 O CYS A 337 -11.933 0.239 -0.650 1.00 0.00 O ATOM 655 CB CYS A 337 -9.153 1.710 -1.565 1.00 0.00 C ATOM 656 SG CYS A 337 -10.396 2.199 -2.805 1.00 0.00 S ATOM 0 H CYS A 337 -9.492 -0.577 -2.465 1.00 0.00 H new ATOM 0 HA CYS A 337 -8.848 0.450 0.136 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.943 2.566 -0.924 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -8.225 1.461 -2.079 1.00 0.00 H new ATOM 0 HG CYS A 337 -10.833 1.141 -3.422 1.00 0.00 H new ATOM 661 N SER A 338 -11.030 1.474 1.005 1.00 0.00 N ATOM 662 CA SER A 338 -12.303 1.739 1.683 1.00 0.00 C ATOM 663 C SER A 338 -13.466 1.889 0.703 1.00 0.00 C ATOM 664 O SER A 338 -14.480 1.208 0.834 1.00 0.00 O ATOM 665 CB SER A 338 -12.192 2.995 2.546 1.00 0.00 C ATOM 666 OG SER A 338 -11.989 4.148 1.747 1.00 0.00 O ATOM 0 H SER A 338 -10.221 1.901 1.456 1.00 0.00 H new ATOM 0 HA SER A 338 -12.513 0.875 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 338 -13.099 3.114 3.138 1.00 0.00 H new ATOM 0 HB3 SER A 338 -11.366 2.885 3.248 1.00 0.00 H new ATOM 0 HG SER A 338 -11.923 4.938 2.323 1.00 0.00 H new ATOM 672 N SER A 339 -13.321 2.783 -0.270 1.00 0.00 N ATOM 673 CA SER A 339 -14.368 3.012 -1.262 1.00 0.00 C ATOM 674 C SER A 339 -14.834 1.701 -1.895 1.00 0.00 C ATOM 675 O SER A 339 -16.026 1.374 -1.885 1.00 0.00 O ATOM 676 CB SER A 339 -13.860 3.959 -2.337 1.00 0.00 C ATOM 677 OG SER A 339 -14.819 4.129 -3.367 1.00 0.00 O ATOM 0 H SER A 339 -12.490 3.361 -0.393 1.00 0.00 H new ATOM 0 HA SER A 339 -15.223 3.460 -0.756 1.00 0.00 H new ATOM 0 HB2 SER A 339 -13.626 4.926 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 339 -12.934 3.570 -2.760 1.00 0.00 H new ATOM 0 HG SER A 339 -14.467 4.744 -4.044 1.00 0.00 H new ATOM 683 N CYS A 340 -13.882 0.944 -2.427 1.00 0.00 N ATOM 684 CA CYS A 340 -14.183 -0.319 -3.063 1.00 0.00 C ATOM 685 C CYS A 340 -14.812 -1.258 -2.051 1.00 0.00 C ATOM 686 O CYS A 340 -15.698 -2.047 -2.372 1.00 0.00 O ATOM 687 CB CYS A 340 -12.907 -0.932 -3.641 1.00 0.00 C ATOM 688 SG CYS A 340 -12.288 -0.096 -5.136 1.00 0.00 S ATOM 0 H CYS A 340 -12.892 1.190 -2.427 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.886 -0.155 -3.879 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -12.129 -0.911 -2.878 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -13.095 -1.980 -3.876 1.00 0.00 H new ATOM 0 HG CYS A 340 -10.992 -0.188 -5.179 1.00 0.00 H new ATOM 693 N LEU A 341 -14.343 -1.146 -0.818 1.00 0.00 N ATOM 694 CA LEU A 341 -14.833 -1.957 0.275 1.00 0.00 C ATOM 695 C LEU A 341 -16.302 -1.672 0.545 1.00 0.00 C ATOM 696 O LEU A 341 -17.059 -2.563 0.932 1.00 0.00 O ATOM 697 CB LEU A 341 -13.983 -1.687 1.506 1.00 0.00 C ATOM 698 CG LEU A 341 -12.534 -2.135 1.362 1.00 0.00 C ATOM 699 CD1 LEU A 341 -11.707 -1.701 2.551 1.00 0.00 C ATOM 700 CD2 LEU A 341 -12.476 -3.636 1.181 1.00 0.00 C ATOM 0 H LEU A 341 -13.611 -0.488 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.755 -3.012 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -14.004 -0.619 1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -14.427 -2.195 2.362 1.00 0.00 H new ATOM 0 HG LEU A 341 -12.110 -1.658 0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -10.678 -2.035 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -11.728 -0.614 2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -12.118 -2.141 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -11.437 -3.950 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -12.919 -4.125 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -13.030 -3.916 0.285 1.00 0.00 H new ATOM 803 N ALA B 1 -1.133 -8.003 -0.211 1.00 0.00 N ATOM 804 CA ALA B 1 -2.120 -6.980 -0.641 1.00 0.00 C ATOM 805 C ALA B 1 -1.468 -5.872 -1.471 1.00 0.00 C ATOM 806 O ALA B 1 -1.985 -4.758 -1.552 1.00 0.00 O ATOM 807 CB ALA B 1 -2.834 -6.401 0.567 1.00 0.00 C ATOM 0 H1 ALA B 1 -1.482 -8.485 0.642 1.00 0.00 H new ATOM 0 H2 ALA B 1 -1.000 -8.699 -0.972 1.00 0.00 H new ATOM 0 H3 ALA B 1 -0.225 -7.542 -0.001 1.00 0.00 H new ATOM 0 HA ALA B 1 -2.852 -7.472 -1.282 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -3.555 -5.652 0.239 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.355 -7.198 1.098 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.106 -5.937 1.232 1.00 0.00 H new ATOM 815 N ARG B 2 -0.328 -6.191 -2.085 1.00 0.00 N ATOM 816 CA ARG B 2 0.399 -5.237 -2.928 1.00 0.00 C ATOM 817 C ARG B 2 0.799 -3.980 -2.165 1.00 0.00 C ATOM 818 O ARG B 2 0.474 -2.870 -2.581 1.00 0.00 O ATOM 819 CB ARG B 2 -0.449 -4.844 -4.139 1.00 0.00 C ATOM 820 CG ARG B 2 -0.668 -5.983 -5.120 1.00 0.00 C ATOM 821 CD ARG B 2 -1.570 -5.562 -6.268 1.00 0.00 C ATOM 822 NE ARG B 2 -1.878 -6.677 -7.158 1.00 0.00 N ATOM 823 CZ ARG B 2 -2.994 -6.761 -7.874 1.00 0.00 C ATOM 824 NH1 ARG B 2 -3.905 -5.799 -7.803 1.00 0.00 N ATOM 825 NH2 ARG B 2 -3.200 -7.806 -8.663 1.00 0.00 N ATOM 0 H ARG B 2 0.115 -7.107 -2.015 1.00 0.00 H new ATOM 0 HA ARG B 2 1.311 -5.736 -3.257 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -1.417 -4.482 -3.793 1.00 0.00 H new ATOM 0 HB3 ARG B 2 0.034 -4.016 -4.658 1.00 0.00 H new ATOM 0 HG2 ARG B 2 0.293 -6.316 -5.513 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -1.111 -6.832 -4.600 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -2.497 -5.150 -5.869 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.087 -4.767 -6.836 1.00 0.00 H new ATOM 0 HE ARG B 2 -1.199 -7.434 -7.235 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.749 -4.993 -7.198 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -4.761 -5.866 -8.354 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -2.501 -8.547 -8.721 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -4.057 -7.869 -9.212 1.00 0.00 H new ATOM 839 N THR B 3 1.513 -4.146 -1.059 1.00 0.00 N ATOM 840 CA THR B 3 1.947 -2.999 -0.272 1.00 0.00 C ATOM 841 C THR B 3 3.419 -2.684 -0.539 1.00 0.00 C ATOM 842 O THR B 3 4.315 -3.394 -0.085 1.00 0.00 O ATOM 843 CB THR B 3 1.715 -3.220 1.238 1.00 0.00 C ATOM 844 OG1 THR B 3 2.797 -3.965 1.807 1.00 0.00 O ATOM 845 CG2 THR B 3 0.410 -3.964 1.474 1.00 0.00 C ATOM 0 H THR B 3 1.801 -5.052 -0.690 1.00 0.00 H new ATOM 0 HA THR B 3 1.342 -2.147 -0.582 1.00 0.00 H new ATOM 0 HB THR B 3 1.661 -2.243 1.718 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.393 -4.273 1.093 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.263 -4.111 2.544 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.419 -3.382 1.071 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.449 -4.933 0.977 1.00 0.00 H new ATOM 853 N LYS B 4 3.652 -1.613 -1.295 1.00 0.00 N ATOM 854 CA LYS B 4 5.006 -1.194 -1.649 1.00 0.00 C ATOM 855 C LYS B 4 5.590 -0.258 -0.593 1.00 0.00 C ATOM 856 O LYS B 4 4.857 0.353 0.185 1.00 0.00 O ATOM 857 CB LYS B 4 4.994 -0.492 -3.011 1.00 0.00 C ATOM 858 CG LYS B 4 6.378 -0.160 -3.548 1.00 0.00 C ATOM 859 CD LYS B 4 6.303 0.837 -4.692 1.00 0.00 C ATOM 860 CE LYS B 4 7.677 1.134 -5.270 1.00 0.00 C ATOM 861 NZ LYS B 4 7.615 2.147 -6.359 1.00 0.00 N ATOM 0 H LYS B 4 2.917 -1.017 -1.676 1.00 0.00 H new ATOM 0 HA LYS B 4 5.633 -2.084 -1.700 1.00 0.00 H new ATOM 0 HB2 LYS B 4 4.479 -1.128 -3.731 1.00 0.00 H new ATOM 0 HB3 LYS B 4 4.417 0.429 -2.929 1.00 0.00 H new ATOM 0 HG2 LYS B 4 6.993 0.249 -2.746 1.00 0.00 H new ATOM 0 HG3 LYS B 4 6.866 -1.073 -3.890 1.00 0.00 H new ATOM 0 HD2 LYS B 4 5.656 0.443 -5.476 1.00 0.00 H new ATOM 0 HD3 LYS B 4 5.849 1.763 -4.339 1.00 0.00 H new ATOM 0 HE2 LYS B 4 8.334 1.493 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS B 4 8.115 0.213 -5.655 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 7.768 1.681 -7.276 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 6.681 2.605 -6.354 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 8.353 2.864 -6.208 1.00 0.00 H new ATOM 875 N GLN B 5 6.917 -0.152 -0.573 1.00 0.00 N ATOM 876 CA GLN B 5 7.607 0.714 0.378 1.00 0.00 C ATOM 877 C GLN B 5 8.249 1.896 -0.341 1.00 0.00 C ATOM 878 O GLN B 5 9.414 1.840 -0.733 1.00 0.00 O ATOM 879 CB GLN B 5 8.674 -0.075 1.140 1.00 0.00 C ATOM 880 CG GLN B 5 8.115 -1.250 1.927 1.00 0.00 C ATOM 881 CD GLN B 5 9.189 -2.021 2.673 1.00 0.00 C ATOM 882 OE1 GLN B 5 8.934 -2.588 3.736 1.00 0.00 O ATOM 883 NE2 GLN B 5 10.396 -2.050 2.119 1.00 0.00 N ATOM 0 H GLN B 5 7.537 -0.657 -1.207 1.00 0.00 H new ATOM 0 HA GLN B 5 6.873 1.094 1.089 1.00 0.00 H new ATOM 0 HB2 GLN B 5 9.417 -0.443 0.432 1.00 0.00 H new ATOM 0 HB3 GLN B 5 9.191 0.597 1.825 1.00 0.00 H new ATOM 0 HG2 GLN B 5 7.375 -0.885 2.639 1.00 0.00 H new ATOM 0 HG3 GLN B 5 7.597 -1.925 1.245 1.00 0.00 H new ATOM 0 HE21 GLN B 5 10.564 -1.566 1.237 1.00 0.00 H new ATOM 0 HE22 GLN B 5 11.155 -2.556 2.576 1.00 0.00 H new ATOM 892 N THR B 6 7.480 2.968 -0.508 1.00 0.00 N ATOM 893 CA THR B 6 7.968 4.165 -1.185 1.00 0.00 C ATOM 894 C THR B 6 8.735 5.071 -0.229 1.00 0.00 C ATOM 895 O THR B 6 8.597 4.967 0.990 1.00 0.00 O ATOM 896 CB THR B 6 6.807 4.967 -1.805 1.00 0.00 C ATOM 897 OG1 THR B 6 7.323 6.026 -2.619 1.00 0.00 O ATOM 898 CG2 THR B 6 5.915 5.549 -0.718 1.00 0.00 C ATOM 0 H THR B 6 6.515 3.032 -0.183 1.00 0.00 H new ATOM 0 HA THR B 6 8.638 3.827 -1.975 1.00 0.00 H new ATOM 0 HB THR B 6 6.214 4.291 -2.421 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.630 6.707 -2.748 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.102 6.111 -1.177 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.502 4.741 -0.115 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.502 6.213 -0.083 1.00 0.00 H new