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 -118:sc= 1.37 USER MOD Set 1.2: A 314 CYS SG : rot 142:sc= -0.0736 USER MOD Set 1.3: A 337 CYS SG : rot -49:sc= 0.58 USER MOD Set 1.4: A 340 CYS SG : rot 149:sc= 0.484 USER MOD Set 2.1: A 299 CYS SG : rot -141:sc= -3.07! USER MOD Set 2.2: A 302 CYS SG : rot 109:sc= -1.92! USER MOD Set 2.3: A 319 HIS : no HD1:sc= -0.888 K(o=-11,f=-13!) USER MOD Set 2.4: A 322 CYS SG : rot 152:sc= -5.03! USER MOD Set 3.1: A 295 ASN : amide:sc= -3.8! K(o=-6.1!,f=-2.8) USER MOD Set 3.2: A 310 CYS SG : rot 166:sc= -2.28! 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= -0.123 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -122:sc= 0.699 (180deg=-0.454) USER MOD Single : B 3 THR OG1 : rot -14:sc= 0.963 USER MOD Single : B 4 LYS NZ :NH3+ -115:sc= 0.699 (180deg=-0.17) USER MOD Single : B 5 GLN : amide:sc= -0.998 K(o=-1,f=0) USER MOD Single : B 6 THR OG1 : rot 90:sc= -0.0872 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 295 2.138 1.673 -8.754 1.00 0.00 N ATOM 44 CA ASN A 295 1.111 2.622 -8.336 1.00 0.00 C ATOM 45 C ASN A 295 1.728 3.960 -7.939 1.00 0.00 C ATOM 46 O ASN A 295 2.924 4.047 -7.657 1.00 0.00 O ATOM 47 CB ASN A 295 0.311 2.052 -7.166 1.00 0.00 C ATOM 48 CG ASN A 295 -0.383 0.751 -7.516 1.00 0.00 C ATOM 49 OD1 ASN A 295 0.185 -0.331 -7.361 1.00 0.00 O ATOM 50 ND2 ASN A 295 -1.619 0.849 -7.992 1.00 0.00 N ATOM 0 HA ASN A 295 0.443 2.789 -9.181 1.00 0.00 H new ATOM 0 HB2 ASN A 295 0.978 1.888 -6.320 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -0.433 2.783 -6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -2.136 0.007 -8.245 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -2.051 1.766 -8.104 1.00 0.00 H new ATOM 57 N GLU A 296 0.899 5.000 -7.919 1.00 0.00 N ATOM 58 CA GLU A 296 1.354 6.339 -7.563 1.00 0.00 C ATOM 59 C GLU A 296 1.823 6.389 -6.110 1.00 0.00 C ATOM 60 O GLU A 296 1.023 6.239 -5.186 1.00 0.00 O ATOM 61 CB GLU A 296 0.231 7.355 -7.787 1.00 0.00 C ATOM 62 CG GLU A 296 -0.296 7.371 -9.209 1.00 0.00 C ATOM 63 CD GLU A 296 -1.312 8.472 -9.444 1.00 0.00 C ATOM 64 OE1 GLU A 296 -0.901 9.593 -9.812 1.00 0.00 O ATOM 65 OE2 GLU A 296 -2.520 8.213 -9.261 1.00 0.00 O ATOM 0 H GLU A 296 -0.094 4.940 -8.146 1.00 0.00 H new ATOM 0 HA GLU A 296 2.198 6.593 -8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -0.591 7.133 -7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 296 0.596 8.350 -7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 296 0.538 7.498 -9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -0.752 6.407 -9.434 1.00 0.00 H new ATOM 72 N ASP A 297 3.123 6.601 -5.919 1.00 0.00 N ATOM 73 CA ASP A 297 3.702 6.671 -4.580 1.00 0.00 C ATOM 74 C ASP A 297 3.202 7.906 -3.836 1.00 0.00 C ATOM 75 O ASP A 297 3.814 8.972 -3.899 1.00 0.00 O ATOM 76 CB ASP A 297 5.231 6.692 -4.654 1.00 0.00 C ATOM 77 CG ASP A 297 5.755 6.282 -6.016 1.00 0.00 C ATOM 78 OD1 ASP A 297 5.946 5.068 -6.240 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.976 7.178 -6.860 1.00 0.00 O ATOM 0 H ASP A 297 3.796 6.727 -6.675 1.00 0.00 H new ATOM 0 HA ASP A 297 3.387 5.783 -4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.589 7.694 -4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.637 6.022 -3.896 1.00 0.00 H new ATOM 84 N GLU A 298 2.083 7.748 -3.137 1.00 0.00 N ATOM 85 CA GLU A 298 1.487 8.838 -2.372 1.00 0.00 C ATOM 86 C GLU A 298 0.251 8.354 -1.623 1.00 0.00 C ATOM 87 O GLU A 298 -0.792 8.099 -2.227 1.00 0.00 O ATOM 88 CB GLU A 298 1.125 10.006 -3.293 1.00 0.00 C ATOM 89 CG GLU A 298 0.193 11.027 -2.661 1.00 0.00 C ATOM 90 CD GLU A 298 -0.120 12.183 -3.591 1.00 0.00 C ATOM 91 OE1 GLU A 298 -1.017 12.030 -4.448 1.00 0.00 O ATOM 92 OE2 GLU A 298 0.532 13.240 -3.464 1.00 0.00 O ATOM 0 H GLU A 298 1.567 6.869 -3.084 1.00 0.00 H new ATOM 0 HA GLU A 298 2.220 9.184 -1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 298 2.041 10.509 -3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 298 0.657 9.612 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -0.736 10.536 -2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 298 0.647 11.412 -1.748 1.00 0.00 H new ATOM 99 N CYS A 299 0.378 8.223 -0.307 1.00 0.00 N ATOM 100 CA CYS A 299 -0.731 7.770 0.525 1.00 0.00 C ATOM 101 C CYS A 299 -1.957 8.655 0.325 1.00 0.00 C ATOM 102 O CYS A 299 -1.941 9.843 0.643 1.00 0.00 O ATOM 103 CB CYS A 299 -0.299 7.757 1.984 1.00 0.00 C ATOM 104 SG CYS A 299 -1.657 7.849 3.189 1.00 0.00 S ATOM 0 H CYS A 299 1.236 8.424 0.206 1.00 0.00 H new ATOM 0 HA CYS A 299 -1.007 6.758 0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.271 6.847 2.170 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.376 8.596 2.155 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.303 8.605 4.185 1.00 0.00 H new ATOM 109 N ALA A 300 -3.022 8.052 -0.193 1.00 0.00 N ATOM 110 CA ALA A 300 -4.265 8.763 -0.488 1.00 0.00 C ATOM 111 C ALA A 300 -4.961 9.324 0.754 1.00 0.00 C ATOM 112 O ALA A 300 -6.082 9.824 0.655 1.00 0.00 O ATOM 113 CB ALA A 300 -5.215 7.840 -1.234 1.00 0.00 C ATOM 0 H ALA A 300 -3.050 7.058 -0.421 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.994 9.620 -1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -6.141 8.371 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.752 7.518 -2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.434 6.968 -0.618 1.00 0.00 H new ATOM 119 N VAL A 301 -4.320 9.248 1.917 1.00 0.00 N ATOM 120 CA VAL A 301 -4.937 9.762 3.136 1.00 0.00 C ATOM 121 C VAL A 301 -4.135 10.902 3.766 1.00 0.00 C ATOM 122 O VAL A 301 -4.716 11.790 4.391 1.00 0.00 O ATOM 123 CB VAL A 301 -5.152 8.645 4.183 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.939 7.286 3.553 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.253 8.839 5.395 1.00 0.00 C ATOM 0 H VAL A 301 -3.392 8.844 2.041 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.906 10.157 2.831 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.182 8.702 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -5.094 6.509 4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.647 7.149 2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.922 7.220 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.430 8.037 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.209 8.821 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.475 9.798 5.863 1.00 0.00 H new ATOM 135 N CYS A 302 -2.811 10.889 3.612 1.00 0.00 N ATOM 136 CA CYS A 302 -1.991 11.934 4.221 1.00 0.00 C ATOM 137 C CYS A 302 -0.828 12.362 3.322 1.00 0.00 C ATOM 138 O CYS A 302 0.099 13.036 3.770 1.00 0.00 O ATOM 139 CB CYS A 302 -1.497 11.484 5.607 1.00 0.00 C ATOM 140 SG CYS A 302 -0.065 10.356 5.603 1.00 0.00 S ATOM 0 H CYS A 302 -2.294 10.185 3.085 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.620 12.815 4.346 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.237 12.370 6.186 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.321 10.995 6.126 1.00 0.00 H new ATOM 0 HG CYS A 302 0.983 10.983 6.048 1.00 0.00 H new ATOM 145 N ARG A 303 -0.899 11.974 2.052 1.00 0.00 N ATOM 146 CA ARG A 303 0.115 12.329 1.052 1.00 0.00 C ATOM 147 C ARG A 303 1.548 12.154 1.557 1.00 0.00 C ATOM 148 O ARG A 303 2.461 12.823 1.073 1.00 0.00 O ATOM 149 CB ARG A 303 -0.087 13.780 0.602 1.00 0.00 C ATOM 150 CG ARG A 303 -1.516 14.107 0.205 1.00 0.00 C ATOM 151 CD ARG A 303 -1.964 13.276 -0.982 1.00 0.00 C ATOM 152 NE ARG A 303 -3.379 13.473 -1.286 1.00 0.00 N ATOM 153 CZ ARG A 303 -4.027 12.817 -2.244 1.00 0.00 C ATOM 154 NH1 ARG A 303 -3.392 11.925 -2.993 1.00 0.00 N ATOM 155 NH2 ARG A 303 -5.315 13.053 -2.455 1.00 0.00 N ATOM 0 H ARG A 303 -1.660 11.404 1.682 1.00 0.00 H new ATOM 0 HA ARG A 303 -0.018 11.642 0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 303 0.217 14.446 1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.570 13.983 -0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.181 13.926 1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.594 15.166 -0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -1.366 13.539 -1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -1.781 12.221 -0.776 1.00 0.00 H new ATOM 0 HE ARG A 303 -3.900 14.153 -0.732 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -2.401 11.739 -2.835 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -3.894 11.425 -3.726 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -5.809 13.738 -1.882 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -5.812 12.550 -3.190 1.00 0.00 H new ATOM 169 N ASP A 304 1.754 11.263 2.521 1.00 0.00 N ATOM 170 CA ASP A 304 3.096 11.029 3.045 1.00 0.00 C ATOM 171 C ASP A 304 3.707 9.779 2.421 1.00 0.00 C ATOM 172 O ASP A 304 3.039 9.054 1.677 1.00 0.00 O ATOM 173 CB ASP A 304 3.079 10.905 4.570 1.00 0.00 C ATOM 174 CG ASP A 304 2.926 12.248 5.259 1.00 0.00 C ATOM 175 OD1 ASP A 304 3.941 12.968 5.385 1.00 0.00 O ATOM 176 OD2 ASP A 304 1.798 12.582 5.675 1.00 0.00 O ATOM 0 H ASP A 304 1.021 10.698 2.951 1.00 0.00 H new ATOM 0 HA ASP A 304 3.711 11.889 2.780 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.260 10.251 4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 304 4.003 10.432 4.903 1.00 0.00 H new ATOM 181 N GLY A 305 4.982 9.538 2.724 1.00 0.00 N ATOM 182 CA GLY A 305 5.670 8.384 2.176 1.00 0.00 C ATOM 183 C GLY A 305 5.925 7.299 3.204 1.00 0.00 C ATOM 184 O GLY A 305 5.761 7.513 4.405 1.00 0.00 O ATOM 0 H GLY A 305 5.549 10.122 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 305 5.079 7.970 1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.621 8.704 1.751 1.00 0.00 H new ATOM 188 N GLY A 306 6.341 6.134 2.719 1.00 0.00 N ATOM 189 CA GLY A 306 6.614 5.002 3.588 1.00 0.00 C ATOM 190 C GLY A 306 6.027 3.723 3.024 1.00 0.00 C ATOM 191 O GLY A 306 5.884 3.588 1.809 1.00 0.00 O ATOM 0 H GLY A 306 6.496 5.952 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.691 4.887 3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.197 5.191 4.577 1.00 0.00 H new ATOM 195 N GLU A 307 5.694 2.773 3.890 1.00 0.00 N ATOM 196 CA GLU A 307 5.099 1.528 3.432 1.00 0.00 C ATOM 197 C GLU A 307 3.616 1.749 3.166 1.00 0.00 C ATOM 198 O GLU A 307 2.844 1.995 4.092 1.00 0.00 O ATOM 199 CB GLU A 307 5.300 0.427 4.475 1.00 0.00 C ATOM 200 CG GLU A 307 4.835 -0.946 4.014 1.00 0.00 C ATOM 201 CD GLU A 307 3.347 -1.158 4.212 1.00 0.00 C ATOM 202 OE1 GLU A 307 2.937 -1.450 5.355 1.00 0.00 O ATOM 203 OE2 GLU A 307 2.593 -1.034 3.226 1.00 0.00 O ATOM 0 H GLU A 307 5.824 2.841 4.899 1.00 0.00 H new ATOM 0 HA GLU A 307 5.585 1.212 2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.357 0.374 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.761 0.697 5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 307 5.078 -1.072 2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 307 5.383 -1.713 4.561 1.00 0.00 H new ATOM 210 N LEU A 308 3.220 1.658 1.901 1.00 0.00 N ATOM 211 CA LEU A 308 1.827 1.868 1.534 1.00 0.00 C ATOM 212 C LEU A 308 1.250 0.656 0.806 1.00 0.00 C ATOM 213 O LEU A 308 1.950 -0.034 0.067 1.00 0.00 O ATOM 214 CB LEU A 308 1.676 3.103 0.640 1.00 0.00 C ATOM 215 CG LEU A 308 2.745 4.180 0.783 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.654 5.156 -0.382 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.560 4.914 2.090 1.00 0.00 C ATOM 0 H LEU A 308 3.839 1.442 1.120 1.00 0.00 H new ATOM 0 HA LEU A 308 1.275 2.019 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.661 2.773 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.706 3.556 0.844 1.00 0.00 H new ATOM 0 HG LEU A 308 3.729 3.712 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.420 5.924 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.806 4.620 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.670 5.624 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.327 5.683 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.575 5.380 2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.645 4.210 2.918 1.00 0.00 H new ATOM 229 N ILE A 309 -0.040 0.419 1.021 1.00 0.00 N ATOM 230 CA ILE A 309 -0.753 -0.683 0.393 1.00 0.00 C ATOM 231 C ILE A 309 -1.615 -0.159 -0.749 1.00 0.00 C ATOM 232 O ILE A 309 -2.569 0.589 -0.533 1.00 0.00 O ATOM 233 CB ILE A 309 -1.634 -1.421 1.413 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.468 -2.505 0.729 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.530 -0.440 2.142 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.293 -3.324 1.696 1.00 0.00 C ATOM 0 H ILE A 309 -0.620 0.988 1.637 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.018 -1.386 0.001 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.983 -1.905 2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -3.131 -2.038 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.804 -3.169 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -3.148 -0.977 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.917 0.293 2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.171 0.071 1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.860 -4.074 1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.633 -3.819 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.981 -2.670 2.232 1.00 0.00 H new ATOM 248 N CYS A 310 -1.273 -0.556 -1.962 1.00 0.00 N ATOM 249 CA CYS A 310 -1.992 -0.103 -3.142 1.00 0.00 C ATOM 250 C CYS A 310 -3.260 -0.913 -3.390 1.00 0.00 C ATOM 251 O CYS A 310 -3.326 -2.099 -3.066 1.00 0.00 O ATOM 252 CB CYS A 310 -1.073 -0.185 -4.354 1.00 0.00 C ATOM 253 SG CYS A 310 0.497 0.689 -4.142 1.00 0.00 S ATOM 0 H CYS A 310 -0.500 -1.193 -2.157 1.00 0.00 H new ATOM 0 HA CYS A 310 -2.299 0.929 -2.973 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.868 -1.233 -4.572 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -1.592 0.225 -5.220 1.00 0.00 H new ATOM 0 HG CYS A 310 1.325 0.327 -5.076 1.00 0.00 H new ATOM 259 N CYS A 311 -4.264 -0.258 -3.971 1.00 0.00 N ATOM 260 CA CYS A 311 -5.532 -0.913 -4.276 1.00 0.00 C ATOM 261 C CYS A 311 -5.420 -1.728 -5.561 1.00 0.00 C ATOM 262 O CYS A 311 -4.756 -1.318 -6.513 1.00 0.00 O ATOM 263 CB CYS A 311 -6.664 0.114 -4.407 1.00 0.00 C ATOM 264 SG CYS A 311 -8.287 -0.631 -4.791 1.00 0.00 S ATOM 0 H CYS A 311 -4.223 0.725 -4.239 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.767 -1.584 -3.450 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.743 0.676 -3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -6.407 0.828 -5.190 1.00 0.00 H new ATOM 0 HG CYS A 311 -8.706 -0.190 -5.940 1.00 0.00 H new ATOM 269 N ASP A 312 -6.075 -2.884 -5.576 1.00 0.00 N ATOM 270 CA ASP A 312 -6.050 -3.768 -6.737 1.00 0.00 C ATOM 271 C ASP A 312 -6.839 -3.177 -7.902 1.00 0.00 C ATOM 272 O ASP A 312 -6.778 -3.683 -9.023 1.00 0.00 O ATOM 273 CB ASP A 312 -6.621 -5.139 -6.362 1.00 0.00 C ATOM 274 CG ASP A 312 -6.757 -6.060 -7.559 1.00 0.00 C ATOM 275 OD1 ASP A 312 -5.736 -6.635 -7.987 1.00 0.00 O ATOM 276 OD2 ASP A 312 -7.888 -6.202 -8.072 1.00 0.00 O ATOM 0 H ASP A 312 -6.631 -3.232 -4.795 1.00 0.00 H new ATOM 0 HA ASP A 312 -5.013 -3.880 -7.054 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -5.975 -5.607 -5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -7.598 -5.007 -5.897 1.00 0.00 H new ATOM 281 N GLY A 313 -7.573 -2.102 -7.636 1.00 0.00 N ATOM 282 CA GLY A 313 -8.365 -1.474 -8.678 1.00 0.00 C ATOM 283 C GLY A 313 -8.127 0.019 -8.791 1.00 0.00 C ATOM 284 O GLY A 313 -8.789 0.696 -9.579 1.00 0.00 O ATOM 0 H GLY A 313 -7.634 -1.655 -6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -8.136 -1.945 -9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -9.422 -1.653 -8.480 1.00 0.00 H new ATOM 288 N CYS A 314 -7.184 0.541 -8.010 1.00 0.00 N ATOM 289 CA CYS A 314 -6.881 1.969 -8.048 1.00 0.00 C ATOM 290 C CYS A 314 -5.379 2.230 -7.925 1.00 0.00 C ATOM 291 O CYS A 314 -4.639 1.413 -7.379 1.00 0.00 O ATOM 292 CB CYS A 314 -7.624 2.706 -6.934 1.00 0.00 C ATOM 293 SG CYS A 314 -9.412 2.361 -6.877 1.00 0.00 S ATOM 0 H CYS A 314 -6.622 0.003 -7.350 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.215 2.345 -9.015 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -7.182 2.434 -5.976 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -7.476 3.778 -7.061 1.00 0.00 H new ATOM 0 HG CYS A 314 -9.803 2.299 -5.639 1.00 0.00 H new ATOM 298 N PRO A 315 -4.919 3.389 -8.439 1.00 0.00 N ATOM 299 CA PRO A 315 -3.511 3.788 -8.401 1.00 0.00 C ATOM 300 C PRO A 315 -3.117 4.393 -7.059 1.00 0.00 C ATOM 301 O PRO A 315 -2.128 5.119 -6.963 1.00 0.00 O ATOM 302 CB PRO A 315 -3.411 4.870 -9.491 1.00 0.00 C ATOM 303 CG PRO A 315 -4.771 4.966 -10.112 1.00 0.00 C ATOM 304 CD PRO A 315 -5.731 4.405 -9.107 1.00 0.00 C ATOM 0 HA PRO A 315 -2.852 2.933 -8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.110 5.826 -9.063 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.661 4.604 -10.236 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -5.018 6.001 -10.350 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -4.813 4.405 -11.046 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.084 5.167 -8.411 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.612 3.974 -9.582 1.00 0.00 H new ATOM 312 N ARG A 316 -3.893 4.088 -6.027 1.00 0.00 N ATOM 313 CA ARG A 316 -3.636 4.627 -4.700 1.00 0.00 C ATOM 314 C ARG A 316 -2.870 3.655 -3.817 1.00 0.00 C ATOM 315 O ARG A 316 -2.639 2.505 -4.186 1.00 0.00 O ATOM 316 CB ARG A 316 -4.952 4.991 -4.024 1.00 0.00 C ATOM 317 CG ARG A 316 -5.583 6.259 -4.561 1.00 0.00 C ATOM 318 CD ARG A 316 -6.925 6.516 -3.901 1.00 0.00 C ATOM 319 NE ARG A 316 -7.353 7.905 -4.050 1.00 0.00 N ATOM 320 CZ ARG A 316 -8.353 8.445 -3.361 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.029 7.715 -2.483 1.00 0.00 N ATOM 322 NH2 ARG A 316 -8.677 9.716 -3.549 1.00 0.00 N ATOM 0 H ARG A 316 -4.704 3.472 -6.084 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.018 5.515 -4.830 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.654 4.166 -4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.781 5.106 -2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -4.918 7.104 -4.384 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.713 6.177 -5.640 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.675 5.857 -4.338 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -6.861 6.268 -2.841 1.00 0.00 H new ATOM 0 HE ARG A 316 -6.857 8.493 -4.720 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -8.782 6.737 -2.335 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -9.796 8.132 -1.956 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -8.159 10.280 -4.223 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -9.445 10.130 -3.020 1.00 0.00 H new ATOM 336 N ALA A 317 -2.491 4.151 -2.642 1.00 0.00 N ATOM 337 CA ALA A 317 -1.757 3.380 -1.646 1.00 0.00 C ATOM 338 C ALA A 317 -2.115 3.908 -0.248 1.00 0.00 C ATOM 339 O ALA A 317 -2.446 5.085 -0.107 1.00 0.00 O ATOM 340 CB ALA A 317 -0.263 3.489 -1.903 1.00 0.00 C ATOM 0 H ALA A 317 -2.687 5.109 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.032 2.327 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.278 2.910 -1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.035 3.101 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 317 0.041 4.534 -1.843 1.00 0.00 H new ATOM 346 N PHE A 318 -2.056 3.060 0.781 1.00 0.00 N ATOM 347 CA PHE A 318 -2.421 3.499 2.136 1.00 0.00 C ATOM 348 C PHE A 318 -1.392 3.081 3.194 1.00 0.00 C ATOM 349 O PHE A 318 -0.758 2.039 3.088 1.00 0.00 O ATOM 350 CB PHE A 318 -3.799 2.938 2.499 1.00 0.00 C ATOM 351 CG PHE A 318 -4.932 3.566 1.744 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.122 3.283 0.410 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.813 4.428 2.373 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.167 3.843 -0.292 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.863 4.997 1.679 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.040 4.703 0.343 1.00 0.00 C ATOM 0 H PHE A 318 -1.766 2.085 0.709 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.443 4.589 2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.803 1.864 2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -3.967 3.077 3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.442 2.612 -0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.678 4.659 3.419 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.303 3.609 -1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.543 5.670 2.181 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.859 5.145 -0.205 1.00 0.00 H new ATOM 366 N HIS A 319 -1.255 3.903 4.233 1.00 0.00 N ATOM 367 CA HIS A 319 -0.307 3.634 5.318 1.00 0.00 C ATOM 368 C HIS A 319 -0.852 2.620 6.315 1.00 0.00 C ATOM 369 O HIS A 319 -0.604 2.742 7.514 1.00 0.00 O ATOM 370 CB HIS A 319 0.003 4.917 6.075 1.00 0.00 C ATOM 371 CG HIS A 319 1.160 5.692 5.554 1.00 0.00 C ATOM 372 ND1 HIS A 319 1.059 7.021 5.221 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.446 5.338 5.337 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.241 7.458 4.823 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.100 6.455 4.885 1.00 0.00 N ATOM 0 H HIS A 319 -1.789 4.764 4.348 1.00 0.00 H new ATOM 0 HA HIS A 319 0.593 3.229 4.855 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -0.881 5.555 6.055 1.00 0.00 H new ATOM 0 HB3 HIS A 319 0.193 4.668 7.119 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.877 4.360 5.491 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.467 8.464 4.502 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.088 6.504 4.637 1.00 0.00 H new ATOM 383 N LEU A 320 -1.599 1.637 5.830 1.00 0.00 N ATOM 384 CA LEU A 320 -2.167 0.613 6.702 1.00 0.00 C ATOM 385 C LEU A 320 -3.162 1.229 7.674 1.00 0.00 C ATOM 386 O LEU A 320 -4.373 1.155 7.476 1.00 0.00 O ATOM 387 CB LEU A 320 -1.062 -0.095 7.482 1.00 0.00 C ATOM 388 CG LEU A 320 0.052 -0.721 6.639 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.486 -2.027 7.249 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.408 -0.945 5.214 1.00 0.00 C ATOM 0 H LEU A 320 -1.826 1.526 4.842 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.686 -0.114 6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.613 0.621 8.170 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.516 -0.878 8.089 1.00 0.00 H new ATOM 0 HG LEU A 320 0.896 -0.032 6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.279 -2.466 6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.856 -1.852 8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.362 -2.711 7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.402 -1.391 4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.268 -1.615 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.690 0.009 4.768 1.00 0.00 H new ATOM 402 N ALA A 321 -2.632 1.834 8.731 1.00 0.00 N ATOM 403 CA ALA A 321 -3.454 2.474 9.741 1.00 0.00 C ATOM 404 C ALA A 321 -4.068 3.760 9.207 1.00 0.00 C ATOM 405 O ALA A 321 -4.967 4.332 9.824 1.00 0.00 O ATOM 406 CB ALA A 321 -2.629 2.738 10.986 1.00 0.00 C ATOM 0 H ALA A 321 -1.629 1.893 8.908 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.273 1.804 10.003 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.252 3.219 11.740 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.248 1.794 11.377 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.793 3.391 10.737 1.00 0.00 H new ATOM 412 N CYS A 322 -3.577 4.210 8.057 1.00 0.00 N ATOM 413 CA CYS A 322 -4.106 5.422 7.431 1.00 0.00 C ATOM 414 C CYS A 322 -5.442 5.111 6.772 1.00 0.00 C ATOM 415 O CYS A 322 -6.096 5.986 6.202 1.00 0.00 O ATOM 416 CB CYS A 322 -3.134 5.980 6.387 1.00 0.00 C ATOM 417 SG CYS A 322 -2.018 7.296 7.010 1.00 0.00 S ATOM 0 H CYS A 322 -2.820 3.760 7.541 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.239 6.177 8.206 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.528 5.161 6.000 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.709 6.375 5.549 1.00 0.00 H new ATOM 0 HG CYS A 322 -0.912 7.286 6.327 1.00 0.00 H new ATOM 422 N LEU A 323 -5.834 3.845 6.862 1.00 0.00 N ATOM 423 CA LEU A 323 -7.085 3.371 6.282 1.00 0.00 C ATOM 424 C LEU A 323 -8.235 3.512 7.261 1.00 0.00 C ATOM 425 O LEU A 323 -8.012 3.681 8.460 1.00 0.00 O ATOM 426 CB LEU A 323 -6.949 1.897 5.913 1.00 0.00 C ATOM 427 CG LEU A 323 -6.363 1.619 4.548 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.729 0.240 4.522 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.448 1.735 3.502 1.00 0.00 C ATOM 0 H LEU A 323 -5.296 3.121 7.337 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.293 3.975 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.326 1.409 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.935 1.435 5.967 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.586 2.351 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.310 0.051 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -4.936 0.190 5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.485 -0.512 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.027 1.535 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.236 1.012 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.865 2.742 3.520 1.00 0.00 H new ATOM 441 N SER A 324 -9.468 3.453 6.757 1.00 0.00 N ATOM 442 CA SER A 324 -10.614 3.521 7.649 1.00 0.00 C ATOM 443 C SER A 324 -10.459 2.386 8.659 1.00 0.00 C ATOM 444 O SER A 324 -10.480 2.625 9.866 1.00 0.00 O ATOM 445 CB SER A 324 -11.950 3.447 6.893 1.00 0.00 C ATOM 446 OG SER A 324 -13.045 3.497 7.790 1.00 0.00 O ATOM 0 H SER A 324 -9.691 3.361 5.766 1.00 0.00 H new ATOM 0 HA SER A 324 -10.637 4.484 8.159 1.00 0.00 H new ATOM 0 HB2 SER A 324 -12.017 4.273 6.185 1.00 0.00 H new ATOM 0 HB3 SER A 324 -11.993 2.525 6.313 1.00 0.00 H new ATOM 0 HG SER A 324 -13.884 3.450 7.285 1.00 0.00 H new ATOM 452 N PRO A 325 -10.301 1.126 8.183 1.00 0.00 N ATOM 453 CA PRO A 325 -10.046 -0.010 9.028 1.00 0.00 C ATOM 454 C PRO A 325 -8.591 -0.431 8.892 1.00 0.00 C ATOM 455 O PRO A 325 -8.208 -1.103 7.933 1.00 0.00 O ATOM 456 CB PRO A 325 -10.961 -1.060 8.452 1.00 0.00 C ATOM 457 CG PRO A 325 -11.157 -0.669 7.006 1.00 0.00 C ATOM 458 CD PRO A 325 -10.434 0.650 6.803 1.00 0.00 C ATOM 0 HA PRO A 325 -10.219 0.174 10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.520 -2.054 8.534 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.912 -1.088 8.984 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.757 -1.435 6.341 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -12.217 -0.568 6.774 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.466 0.517 6.320 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.007 1.341 6.184 1.00 0.00 H new ATOM 466 N PRO A 326 -7.772 -0.034 9.856 1.00 0.00 N ATOM 467 CA PRO A 326 -6.338 -0.300 9.852 1.00 0.00 C ATOM 468 C PRO A 326 -5.975 -1.747 9.635 1.00 0.00 C ATOM 469 O PRO A 326 -6.635 -2.665 10.121 1.00 0.00 O ATOM 470 CB PRO A 326 -5.862 0.167 11.206 1.00 0.00 C ATOM 471 CG PRO A 326 -6.905 1.109 11.685 1.00 0.00 C ATOM 472 CD PRO A 326 -8.203 0.680 11.054 1.00 0.00 C ATOM 0 HA PRO A 326 -5.866 0.217 9.017 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -5.744 -0.672 11.892 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -4.892 0.658 11.134 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.977 1.085 12.772 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.659 2.133 11.405 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.781 0.038 11.719 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.833 1.535 10.808 1.00 0.00 H new ATOM 480 N LEU A 327 -4.903 -1.922 8.887 1.00 0.00 N ATOM 481 CA LEU A 327 -4.386 -3.238 8.566 1.00 0.00 C ATOM 482 C LEU A 327 -3.359 -3.691 9.593 1.00 0.00 C ATOM 483 O LEU A 327 -2.154 -3.554 9.379 1.00 0.00 O ATOM 484 CB LEU A 327 -3.760 -3.219 7.182 1.00 0.00 C ATOM 485 CG LEU A 327 -4.625 -2.583 6.114 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.851 -2.420 4.832 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.860 -3.419 5.885 1.00 0.00 C ATOM 0 H LEU A 327 -4.365 -1.155 8.484 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.216 -3.945 8.583 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.812 -2.683 7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.531 -4.243 6.886 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.930 -1.593 6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.490 -1.961 4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -2.984 -1.784 5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.518 -3.397 4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.476 -2.954 5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.568 -4.418 5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.429 -3.489 6.812 1.00 0.00 H new ATOM 499 N ARG A 328 -3.842 -4.219 10.715 1.00 0.00 N ATOM 500 CA ARG A 328 -2.961 -4.724 11.765 1.00 0.00 C ATOM 501 C ARG A 328 -1.938 -5.663 11.148 1.00 0.00 C ATOM 502 O ARG A 328 -0.857 -5.891 11.690 1.00 0.00 O ATOM 503 CB ARG A 328 -3.765 -5.481 12.821 1.00 0.00 C ATOM 504 CG ARG A 328 -4.584 -4.601 13.746 1.00 0.00 C ATOM 505 CD ARG A 328 -5.627 -3.783 12.999 1.00 0.00 C ATOM 506 NE ARG A 328 -6.421 -2.956 13.904 1.00 0.00 N ATOM 507 CZ ARG A 328 -7.626 -2.481 13.605 1.00 0.00 C ATOM 508 NH1 ARG A 328 -8.179 -2.752 12.430 1.00 0.00 N ATOM 509 NH2 ARG A 328 -8.281 -1.734 14.483 1.00 0.00 N ATOM 0 H ARG A 328 -4.837 -4.308 10.920 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.460 -3.881 12.241 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.435 -6.178 12.317 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -3.079 -6.077 13.422 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -5.080 -5.224 14.490 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -3.918 -3.928 14.286 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -5.132 -3.146 12.266 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -6.286 -4.453 12.447 1.00 0.00 H new ATOM 0 HE ARG A 328 -6.028 -2.730 14.818 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -7.679 -3.327 11.752 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -9.104 -2.385 12.205 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -7.860 -1.524 15.388 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -9.206 -1.370 14.253 1.00 0.00 H new ATOM 523 N GLU A 329 -2.317 -6.199 9.998 1.00 0.00 N ATOM 524 CA GLU A 329 -1.486 -7.120 9.242 1.00 0.00 C ATOM 525 C GLU A 329 -1.989 -7.182 7.808 1.00 0.00 C ATOM 526 O GLU A 329 -3.091 -7.667 7.546 1.00 0.00 O ATOM 527 CB GLU A 329 -1.502 -8.512 9.877 1.00 0.00 C ATOM 528 CG GLU A 329 -2.889 -8.983 10.274 1.00 0.00 C ATOM 529 CD GLU A 329 -2.867 -10.319 10.991 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.621 -10.329 12.216 1.00 0.00 O ATOM 531 OE2 GLU A 329 -3.093 -11.353 10.329 1.00 0.00 O ATOM 0 H GLU A 329 -3.218 -6.005 9.561 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.456 -6.763 9.250 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -1.072 -9.227 9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.863 -8.507 10.760 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.352 -8.236 10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.511 -9.063 9.382 1.00 0.00 H new ATOM 538 N ILE A 330 -1.175 -6.672 6.891 1.00 0.00 N ATOM 539 CA ILE A 330 -1.519 -6.624 5.479 1.00 0.00 C ATOM 540 C ILE A 330 -2.349 -7.826 5.024 1.00 0.00 C ATOM 541 O ILE A 330 -2.033 -8.975 5.337 1.00 0.00 O ATOM 542 CB ILE A 330 -0.253 -6.476 4.607 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.330 -5.073 4.805 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.566 -6.723 3.135 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.674 -3.976 4.571 1.00 0.00 C ATOM 0 H ILE A 330 -0.258 -6.281 7.108 1.00 0.00 H new ATOM 0 HA ILE A 330 -2.146 -5.742 5.346 1.00 0.00 H new ATOM 0 HB ILE A 330 0.479 -7.223 4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.721 -4.989 5.819 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.172 -4.937 4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.344 -6.612 2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.958 -7.733 3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.309 -6.001 2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 330 -0.198 -3.008 4.727 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -1.047 -4.036 3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.505 -4.089 5.268 1.00 0.00 H new ATOM 557 N PRO A 331 -3.434 -7.541 4.275 1.00 0.00 N ATOM 558 CA PRO A 331 -4.364 -8.549 3.752 1.00 0.00 C ATOM 559 C PRO A 331 -3.670 -9.806 3.239 1.00 0.00 C ATOM 560 O PRO A 331 -2.527 -9.755 2.782 1.00 0.00 O ATOM 561 CB PRO A 331 -5.035 -7.811 2.603 1.00 0.00 C ATOM 562 CG PRO A 331 -5.073 -6.396 3.056 1.00 0.00 C ATOM 563 CD PRO A 331 -3.837 -6.180 3.872 1.00 0.00 C ATOM 0 HA PRO A 331 -5.043 -8.913 4.523 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.471 -7.918 1.677 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -6.037 -8.196 2.413 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -5.100 -5.716 2.204 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.968 -6.201 3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -3.056 -5.688 3.292 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -4.036 -5.549 4.739 1.00 0.00 H new ATOM 571 N SER A 332 -4.376 -10.931 3.308 1.00 0.00 N ATOM 572 CA SER A 332 -3.835 -12.206 2.852 1.00 0.00 C ATOM 573 C SER A 332 -4.241 -12.482 1.407 1.00 0.00 C ATOM 574 O SER A 332 -5.081 -13.341 1.140 1.00 0.00 O ATOM 575 CB SER A 332 -4.313 -13.339 3.753 1.00 0.00 C ATOM 576 OG SER A 332 -4.182 -12.992 5.121 1.00 0.00 O ATOM 0 H SER A 332 -5.326 -10.985 3.676 1.00 0.00 H new ATOM 0 HA SER A 332 -2.748 -12.149 2.901 1.00 0.00 H new ATOM 0 HB2 SER A 332 -5.355 -13.569 3.531 1.00 0.00 H new ATOM 0 HB3 SER A 332 -3.736 -14.240 3.546 1.00 0.00 H new ATOM 0 HG SER A 332 -4.497 -13.734 5.678 1.00 0.00 H new ATOM 582 N GLY A 333 -3.637 -11.744 0.481 1.00 0.00 N ATOM 583 CA GLY A 333 -3.948 -11.914 -0.928 1.00 0.00 C ATOM 584 C GLY A 333 -4.342 -10.609 -1.589 1.00 0.00 C ATOM 585 O GLY A 333 -3.565 -9.654 -1.603 1.00 0.00 O ATOM 0 H GLY A 333 -2.937 -11.030 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -3.082 -12.332 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -4.760 -12.633 -1.035 1.00 0.00 H new ATOM 589 N THR A 334 -5.555 -10.566 -2.137 1.00 0.00 N ATOM 590 CA THR A 334 -6.054 -9.365 -2.796 1.00 0.00 C ATOM 591 C THR A 334 -6.453 -8.311 -1.770 1.00 0.00 C ATOM 592 O THR A 334 -6.382 -8.550 -0.564 1.00 0.00 O ATOM 593 CB THR A 334 -7.265 -9.676 -3.695 1.00 0.00 C ATOM 594 OG1 THR A 334 -8.273 -10.364 -2.944 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.849 -10.521 -4.891 1.00 0.00 C ATOM 0 H THR A 334 -6.208 -11.349 -2.137 1.00 0.00 H new ATOM 0 HA THR A 334 -5.244 -8.982 -3.417 1.00 0.00 H new ATOM 0 HB THR A 334 -7.669 -8.732 -4.060 1.00 0.00 H new ATOM 0 HG1 THR A 334 -9.039 -10.556 -3.524 1.00 0.00 H new ATOM 0 HG21 THR A 334 -7.721 -10.728 -5.511 1.00 0.00 H new ATOM 0 HG22 THR A 334 -6.106 -9.980 -5.478 1.00 0.00 H new ATOM 0 HG23 THR A 334 -6.421 -11.461 -4.541 1.00 0.00 H new ATOM 603 N TRP A 335 -6.878 -7.146 -2.253 1.00 0.00 N ATOM 604 CA TRP A 335 -7.283 -6.059 -1.367 1.00 0.00 C ATOM 605 C TRP A 335 -7.923 -4.915 -2.146 1.00 0.00 C ATOM 606 O TRP A 335 -7.586 -4.670 -3.303 1.00 0.00 O ATOM 607 CB TRP A 335 -6.077 -5.526 -0.596 1.00 0.00 C ATOM 608 CG TRP A 335 -6.422 -4.418 0.348 1.00 0.00 C ATOM 609 CD1 TRP A 335 -7.027 -4.534 1.567 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.186 -3.021 0.147 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.160 -3.296 2.144 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.657 -2.352 1.290 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.616 -2.272 -0.886 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.572 -0.973 1.430 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.537 -0.900 -0.747 1.00 0.00 C ATOM 616 CH2 TRP A 335 -6.011 -0.263 0.405 1.00 0.00 C ATOM 0 H TRP A 335 -6.951 -6.932 -3.248 1.00 0.00 H new ATOM 0 HA TRP A 335 -8.018 -6.462 -0.671 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.622 -6.343 -0.036 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.329 -5.171 -1.305 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.353 -5.463 2.011 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.567 -3.110 3.060 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.244 -2.757 -1.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -6.937 -0.478 2.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -5.102 -0.310 -1.540 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -5.932 0.811 0.486 1.00 0.00 H new ATOM 627 N ARG A 336 -8.850 -4.220 -1.494 1.00 0.00 N ATOM 628 CA ARG A 336 -9.531 -3.093 -2.095 1.00 0.00 C ATOM 629 C ARG A 336 -9.439 -1.870 -1.192 1.00 0.00 C ATOM 630 O ARG A 336 -9.281 -1.997 0.021 1.00 0.00 O ATOM 631 CB ARG A 336 -10.989 -3.438 -2.332 1.00 0.00 C ATOM 632 CG ARG A 336 -11.250 -4.085 -3.677 1.00 0.00 C ATOM 633 CD ARG A 336 -12.713 -4.438 -3.825 1.00 0.00 C ATOM 634 NE ARG A 336 -12.971 -5.224 -5.030 1.00 0.00 N ATOM 635 CZ ARG A 336 -13.825 -4.859 -5.981 1.00 0.00 C ATOM 636 NH1 ARG A 336 -14.505 -3.725 -5.868 1.00 0.00 N ATOM 637 NH2 ARG A 336 -14.002 -5.628 -7.046 1.00 0.00 N ATOM 0 H ARG A 336 -9.145 -4.426 -0.539 1.00 0.00 H new ATOM 0 HA ARG A 336 -9.050 -2.866 -3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.327 -4.110 -1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.586 -2.529 -2.254 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -10.952 -3.407 -4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.642 -4.984 -3.778 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -13.040 -4.999 -2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -13.305 -3.523 -3.856 1.00 0.00 H new ATOM 0 HE ARG A 336 -12.467 -6.103 -5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -14.373 -3.131 -5.050 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -15.160 -3.448 -6.600 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -13.483 -6.501 -7.137 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -14.658 -5.347 -7.775 1.00 0.00 H new ATOM 651 N CYS A 337 -9.551 -0.688 -1.784 1.00 0.00 N ATOM 652 CA CYS A 337 -9.484 0.548 -1.013 1.00 0.00 C ATOM 653 C CYS A 337 -10.858 0.858 -0.431 1.00 0.00 C ATOM 654 O CYS A 337 -11.863 0.409 -0.968 1.00 0.00 O ATOM 655 CB CYS A 337 -8.984 1.709 -1.880 1.00 0.00 C ATOM 656 SG CYS A 337 -10.159 2.262 -3.157 1.00 0.00 S ATOM 0 H CYS A 337 -9.687 -0.558 -2.786 1.00 0.00 H new ATOM 0 HA CYS A 337 -8.773 0.418 -0.197 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.748 2.553 -1.232 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -8.055 1.409 -2.365 1.00 0.00 H new ATOM 0 HG CYS A 337 -10.593 1.233 -3.822 1.00 0.00 H new ATOM 661 N SER A 338 -10.890 1.613 0.670 1.00 0.00 N ATOM 662 CA SER A 338 -12.145 1.964 1.342 1.00 0.00 C ATOM 663 C SER A 338 -13.322 2.052 0.371 1.00 0.00 C ATOM 664 O SER A 338 -14.369 1.454 0.604 1.00 0.00 O ATOM 665 CB SER A 338 -11.998 3.286 2.091 1.00 0.00 C ATOM 666 OG SER A 338 -11.779 4.361 1.194 1.00 0.00 O ATOM 0 H SER A 338 -10.057 1.995 1.117 1.00 0.00 H new ATOM 0 HA SER A 338 -12.358 1.162 2.049 1.00 0.00 H new ATOM 0 HB2 SER A 338 -12.896 3.476 2.678 1.00 0.00 H new ATOM 0 HB3 SER A 338 -11.167 3.219 2.793 1.00 0.00 H new ATOM 0 HG SER A 338 -11.690 5.196 1.699 1.00 0.00 H new ATOM 672 N SER A 339 -13.150 2.800 -0.713 1.00 0.00 N ATOM 673 CA SER A 339 -14.206 2.955 -1.708 1.00 0.00 C ATOM 674 C SER A 339 -14.606 1.609 -2.314 1.00 0.00 C ATOM 675 O SER A 339 -15.779 1.230 -2.298 1.00 0.00 O ATOM 676 CB SER A 339 -13.744 3.904 -2.801 1.00 0.00 C ATOM 677 OG SER A 339 -14.730 4.051 -3.808 1.00 0.00 O ATOM 0 H SER A 339 -12.291 3.308 -0.925 1.00 0.00 H new ATOM 0 HA SER A 339 -15.083 3.369 -1.211 1.00 0.00 H new ATOM 0 HB2 SER A 339 -13.516 4.878 -2.367 1.00 0.00 H new ATOM 0 HB3 SER A 339 -12.822 3.529 -3.245 1.00 0.00 H new ATOM 0 HG SER A 339 -14.405 4.668 -4.496 1.00 0.00 H new ATOM 683 N CYS A 340 -13.618 0.890 -2.837 1.00 0.00 N ATOM 684 CA CYS A 340 -13.844 -0.408 -3.449 1.00 0.00 C ATOM 685 C CYS A 340 -14.388 -1.389 -2.423 1.00 0.00 C ATOM 686 O CYS A 340 -14.985 -2.411 -2.766 1.00 0.00 O ATOM 687 CB CYS A 340 -12.535 -0.941 -4.026 1.00 0.00 C ATOM 688 SG CYS A 340 -11.957 -0.067 -5.517 1.00 0.00 S ATOM 0 H CYS A 340 -12.644 1.192 -2.847 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.575 -0.295 -4.250 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.762 -0.877 -3.260 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.661 -1.997 -4.265 1.00 0.00 H new ATOM 0 HG CYS A 340 -10.658 -0.087 -5.555 1.00 0.00 H new ATOM 693 N LEU A 341 -14.169 -1.057 -1.163 1.00 0.00 N ATOM 694 CA LEU A 341 -14.606 -1.879 -0.052 1.00 0.00 C ATOM 695 C LEU A 341 -16.096 -1.715 0.196 1.00 0.00 C ATOM 696 O LEU A 341 -16.835 -2.697 0.268 1.00 0.00 O ATOM 697 CB LEU A 341 -13.799 -1.513 1.184 1.00 0.00 C ATOM 698 CG LEU A 341 -12.403 -2.127 1.229 1.00 0.00 C ATOM 699 CD1 LEU A 341 -11.515 -1.394 2.213 1.00 0.00 C ATOM 700 CD2 LEU A 341 -12.502 -3.597 1.578 1.00 0.00 C ATOM 0 H LEU A 341 -13.681 -0.206 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.436 -2.929 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -13.707 -0.428 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -14.350 -1.829 2.070 1.00 0.00 H new ATOM 0 HG LEU A 341 -11.947 -2.029 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -10.527 -1.854 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -11.426 -0.349 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -11.952 -1.451 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -11.503 -4.032 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -12.977 -3.708 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -13.098 -4.111 0.824 1.00 0.00 H new ATOM 803 N ALA B 1 -1.876 -8.297 0.215 1.00 0.00 N ATOM 804 CA ALA B 1 -2.097 -7.146 -0.699 1.00 0.00 C ATOM 805 C ALA B 1 -0.773 -6.571 -1.191 1.00 0.00 C ATOM 806 O ALA B 1 0.260 -6.719 -0.539 1.00 0.00 O ATOM 807 CB ALA B 1 -2.921 -6.071 -0.007 1.00 0.00 C ATOM 0 H1 ALA B 1 -2.354 -9.139 -0.165 1.00 0.00 H new ATOM 0 H2 ALA B 1 -0.856 -8.485 0.296 1.00 0.00 H new ATOM 0 H3 ALA B 1 -2.263 -8.074 1.154 1.00 0.00 H new ATOM 0 HA ALA B 1 -2.649 -7.506 -1.567 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -3.074 -5.235 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.887 -6.484 0.284 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.393 -5.723 0.881 1.00 0.00 H new ATOM 815 N ARG B 2 -0.813 -5.913 -2.348 1.00 0.00 N ATOM 816 CA ARG B 2 0.385 -5.320 -2.932 1.00 0.00 C ATOM 817 C ARG B 2 0.751 -4.019 -2.230 1.00 0.00 C ATOM 818 O ARG B 2 0.364 -2.936 -2.672 1.00 0.00 O ATOM 819 CB ARG B 2 0.189 -5.053 -4.428 1.00 0.00 C ATOM 820 CG ARG B 2 0.003 -6.314 -5.261 1.00 0.00 C ATOM 821 CD ARG B 2 -1.405 -6.872 -5.136 1.00 0.00 C ATOM 822 NE ARG B 2 -1.606 -8.037 -5.993 1.00 0.00 N ATOM 823 CZ ARG B 2 -2.786 -8.397 -6.487 1.00 0.00 C ATOM 824 NH1 ARG B 2 -3.871 -7.688 -6.202 1.00 0.00 N ATOM 825 NH2 ARG B 2 -2.884 -9.466 -7.265 1.00 0.00 N ATOM 0 H ARG B 2 -1.661 -5.778 -2.898 1.00 0.00 H new ATOM 0 HA ARG B 2 1.198 -6.034 -2.800 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -0.681 -4.410 -4.561 1.00 0.00 H new ATOM 0 HB3 ARG B 2 1.052 -4.504 -4.805 1.00 0.00 H new ATOM 0 HG2 ARG B 2 0.214 -6.093 -6.307 1.00 0.00 H new ATOM 0 HG3 ARG B 2 0.722 -7.069 -4.943 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -1.596 -7.147 -4.099 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -2.127 -6.099 -5.399 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.793 -8.608 -6.226 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.800 -6.865 -5.603 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -4.776 -7.966 -6.582 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -2.053 -10.014 -7.486 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -3.791 -9.740 -7.643 1.00 0.00 H new ATOM 839 N THR B 3 1.499 -4.126 -1.137 1.00 0.00 N ATOM 840 CA THR B 3 1.919 -2.946 -0.395 1.00 0.00 C ATOM 841 C THR B 3 3.370 -2.603 -0.734 1.00 0.00 C ATOM 842 O THR B 3 4.307 -3.233 -0.244 1.00 0.00 O ATOM 843 CB THR B 3 1.748 -3.128 1.132 1.00 0.00 C ATOM 844 OG1 THR B 3 2.908 -3.751 1.698 1.00 0.00 O ATOM 845 CG2 THR B 3 0.521 -3.974 1.443 1.00 0.00 C ATOM 0 H THR B 3 1.824 -5.011 -0.749 1.00 0.00 H new ATOM 0 HA THR B 3 1.274 -2.120 -0.695 1.00 0.00 H new ATOM 0 HB THR B 3 1.619 -2.139 1.571 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.456 -4.134 0.982 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.422 -4.088 2.522 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.369 -3.484 1.047 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.630 -4.956 0.983 1.00 0.00 H new ATOM 853 N LYS B 4 3.538 -1.602 -1.594 1.00 0.00 N ATOM 854 CA LYS B 4 4.863 -1.175 -2.034 1.00 0.00 C ATOM 855 C LYS B 4 5.601 -0.411 -0.939 1.00 0.00 C ATOM 856 O LYS B 4 4.984 0.178 -0.050 1.00 0.00 O ATOM 857 CB LYS B 4 4.742 -0.294 -3.281 1.00 0.00 C ATOM 858 CG LYS B 4 6.052 -0.113 -4.031 1.00 0.00 C ATOM 859 CD LYS B 4 6.099 1.217 -4.767 1.00 0.00 C ATOM 860 CE LYS B 4 7.420 1.401 -5.499 1.00 0.00 C ATOM 861 NZ LYS B 4 7.509 2.731 -6.163 1.00 0.00 N ATOM 0 H LYS B 4 2.769 -1.069 -2.001 1.00 0.00 H new ATOM 0 HA LYS B 4 5.438 -2.071 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS B 4 4.006 -0.732 -3.955 1.00 0.00 H new ATOM 0 HB3 LYS B 4 4.363 0.685 -2.988 1.00 0.00 H new ATOM 0 HG2 LYS B 4 6.884 -0.170 -3.329 1.00 0.00 H new ATOM 0 HG3 LYS B 4 6.179 -0.928 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS B 4 5.276 1.269 -5.480 1.00 0.00 H new ATOM 0 HD3 LYS B 4 5.958 2.032 -4.057 1.00 0.00 H new ATOM 0 HE2 LYS B 4 8.244 1.292 -4.793 1.00 0.00 H new ATOM 0 HE3 LYS B 4 7.534 0.615 -6.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 7.548 2.602 -7.194 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 6.674 3.299 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 8.368 3.222 -5.843 1.00 0.00 H new ATOM 875 N GLN B 5 6.929 -0.431 -1.016 1.00 0.00 N ATOM 876 CA GLN B 5 7.768 0.269 -0.050 1.00 0.00 C ATOM 877 C GLN B 5 8.120 1.659 -0.569 1.00 0.00 C ATOM 878 O GLN B 5 9.257 1.921 -0.962 1.00 0.00 O ATOM 879 CB GLN B 5 9.044 -0.526 0.227 1.00 0.00 C ATOM 880 CG GLN B 5 8.793 -1.872 0.888 1.00 0.00 C ATOM 881 CD GLN B 5 10.075 -2.630 1.175 1.00 0.00 C ATOM 882 OE1 GLN B 5 10.158 -3.387 2.141 1.00 0.00 O ATOM 883 NE2 GLN B 5 11.085 -2.431 0.333 1.00 0.00 N ATOM 0 H GLN B 5 7.448 -0.927 -1.741 1.00 0.00 H new ATOM 0 HA GLN B 5 7.212 0.369 0.882 1.00 0.00 H new ATOM 0 HB2 GLN B 5 9.574 -0.685 -0.712 1.00 0.00 H new ATOM 0 HB3 GLN B 5 9.699 0.066 0.866 1.00 0.00 H new ATOM 0 HG2 GLN B 5 8.250 -1.719 1.820 1.00 0.00 H new ATOM 0 HG3 GLN B 5 8.155 -2.476 0.243 1.00 0.00 H new ATOM 0 HE21 GLN B 5 10.973 -1.794 -0.456 1.00 0.00 H new ATOM 0 HE22 GLN B 5 11.971 -2.915 0.476 1.00 0.00 H new ATOM 892 N THR B 6 7.130 2.543 -0.566 1.00 0.00 N ATOM 893 CA THR B 6 7.307 3.907 -1.044 1.00 0.00 C ATOM 894 C THR B 6 8.363 4.644 -0.222 1.00 0.00 C ATOM 895 O THR B 6 8.115 5.049 0.911 1.00 0.00 O ATOM 896 CB THR B 6 5.960 4.660 -1.003 1.00 0.00 C ATOM 897 OG1 THR B 6 5.125 4.204 -2.072 1.00 0.00 O ATOM 898 CG2 THR B 6 6.131 6.167 -1.106 1.00 0.00 C ATOM 0 H THR B 6 6.188 2.336 -0.234 1.00 0.00 H new ATOM 0 HA THR B 6 7.657 3.868 -2.076 1.00 0.00 H new ATOM 0 HB THR B 6 5.499 4.448 -0.038 1.00 0.00 H new ATOM 0 HG1 THR B 6 4.587 3.445 -1.765 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.153 6.647 -1.072 1.00 0.00 H new ATOM 0 HG22 THR B 6 6.739 6.522 -0.274 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.624 6.414 -2.046 1.00 0.00 H new