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 155:sc= -0.953 USER MOD Set 1.2: A 314 CYS SG : rot -41:sc= -0.351 USER MOD Set 1.3: A 337 CYS SG : rot -124:sc= 1.55 USER MOD Set 1.4: A 339 SER OG : rot -45:sc= 0.663 USER MOD Set 1.5: A 340 CYS SG : rot 91:sc= -0.401 USER MOD Set 2.1: A 299 CYS SG : rot -139:sc= -3.37! USER MOD Set 2.2: A 302 CYS SG : rot -112:sc= -0.265 USER MOD Set 2.3: A 319 HIS : no HD1:sc= -0.552! C(o=-7.7!,f=-10!) USER MOD Set 2.4: A 322 CYS SG : rot 152:sc= -3.47! USER MOD Single : A 295 ASN : amide:sc= -5.73! C(o=-5.7!,f=-4.8!) USER MOD Single : A 310 CYS SG : rot -21:sc= -0.622! 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= -0.0661 USER MOD Single : B 1 ALA N :NH3+ 179:sc= -0.326 (180deg=-0.331) USER MOD Single : B 3 THR OG1 : rot -9:sc= 0.542! USER MOD Single : B 4 LYS NZ :NH3+ -143:sc= 0.65 (180deg=-0.011) USER MOD Single : B 5 GLN : amide:sc= -0.996 K(o=-1,f=-5.7!) USER MOD Single : B 6 THR OG1 : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 295 0.859 0.895 -7.985 1.00 0.00 N ATOM 44 CA ASN A 295 -0.005 2.070 -7.931 1.00 0.00 C ATOM 45 C ASN A 295 0.818 3.338 -7.724 1.00 0.00 C ATOM 46 O ASN A 295 2.048 3.301 -7.758 1.00 0.00 O ATOM 47 CB ASN A 295 -1.031 1.924 -6.804 1.00 0.00 C ATOM 48 CG ASN A 295 -2.004 0.785 -7.047 1.00 0.00 C ATOM 49 OD1 ASN A 295 -2.545 0.207 -6.104 1.00 0.00 O ATOM 50 ND2 ASN A 295 -2.232 0.455 -8.313 1.00 0.00 N ATOM 0 HA ASN A 295 -0.531 2.149 -8.883 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -0.509 1.757 -5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -1.587 2.856 -6.700 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -2.877 -0.304 -8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -1.762 0.960 -9.064 1.00 0.00 H new ATOM 57 N GLU A 296 0.136 4.461 -7.514 1.00 0.00 N ATOM 58 CA GLU A 296 0.822 5.727 -7.298 1.00 0.00 C ATOM 59 C GLU A 296 1.476 5.748 -5.920 1.00 0.00 C ATOM 60 O GLU A 296 0.786 5.756 -4.903 1.00 0.00 O ATOM 61 CB GLU A 296 -0.156 6.893 -7.434 1.00 0.00 C ATOM 62 CG GLU A 296 0.524 8.243 -7.561 1.00 0.00 C ATOM 63 CD GLU A 296 1.316 8.378 -8.846 1.00 0.00 C ATOM 64 OE1 GLU A 296 0.714 8.742 -9.879 1.00 0.00 O ATOM 65 OE2 GLU A 296 2.538 8.123 -8.820 1.00 0.00 O ATOM 0 H GLU A 296 -0.882 4.518 -7.489 1.00 0.00 H new ATOM 0 HA GLU A 296 1.598 5.832 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -0.785 6.729 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -0.815 6.907 -6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -0.229 9.030 -7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 296 1.190 8.392 -6.711 1.00 0.00 H new ATOM 72 N ASP A 297 2.809 5.743 -5.896 1.00 0.00 N ATOM 73 CA ASP A 297 3.553 5.756 -4.639 1.00 0.00 C ATOM 74 C ASP A 297 3.258 7.023 -3.846 1.00 0.00 C ATOM 75 O ASP A 297 4.027 7.985 -3.881 1.00 0.00 O ATOM 76 CB ASP A 297 5.056 5.646 -4.902 1.00 0.00 C ATOM 77 CG ASP A 297 5.372 4.840 -6.146 1.00 0.00 C ATOM 78 OD1 ASP A 297 5.304 3.594 -6.081 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.688 5.456 -7.186 1.00 0.00 O ATOM 0 H ASP A 297 3.394 5.730 -6.732 1.00 0.00 H new ATOM 0 HA ASP A 297 3.233 4.895 -4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.477 6.646 -5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.539 5.183 -4.041 1.00 0.00 H new ATOM 84 N GLU A 298 2.138 7.010 -3.134 1.00 0.00 N ATOM 85 CA GLU A 298 1.717 8.142 -2.319 1.00 0.00 C ATOM 86 C GLU A 298 0.455 7.788 -1.540 1.00 0.00 C ATOM 87 O GLU A 298 -0.538 7.340 -2.113 1.00 0.00 O ATOM 88 CB GLU A 298 1.480 9.380 -3.183 1.00 0.00 C ATOM 89 CG GLU A 298 0.342 9.236 -4.180 1.00 0.00 C ATOM 90 CD GLU A 298 0.102 10.505 -4.973 1.00 0.00 C ATOM 91 OE1 GLU A 298 0.905 10.799 -5.883 1.00 0.00 O ATOM 92 OE2 GLU A 298 -0.891 11.206 -4.684 1.00 0.00 O ATOM 0 H GLU A 298 1.498 6.217 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 298 2.515 8.371 -1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 298 1.272 10.229 -2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 298 2.397 9.611 -3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 298 0.566 8.419 -4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -0.570 8.965 -3.649 1.00 0.00 H new ATOM 99 N CYS A 299 0.507 7.982 -0.230 1.00 0.00 N ATOM 100 CA CYS A 299 -0.624 7.672 0.633 1.00 0.00 C ATOM 101 C CYS A 299 -1.817 8.576 0.343 1.00 0.00 C ATOM 102 O CYS A 299 -1.791 9.778 0.622 1.00 0.00 O ATOM 103 CB CYS A 299 -0.210 7.794 2.087 1.00 0.00 C ATOM 104 SG CYS A 299 -1.597 8.001 3.237 1.00 0.00 S ATOM 0 H CYS A 299 1.321 8.353 0.259 1.00 0.00 H new ATOM 0 HA CYS A 299 -0.933 6.647 0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.352 6.904 2.369 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.465 8.644 2.191 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.283 8.881 4.141 1.00 0.00 H new ATOM 109 N ALA A 300 -2.875 7.970 -0.183 1.00 0.00 N ATOM 110 CA ALA A 300 -4.089 8.690 -0.550 1.00 0.00 C ATOM 111 C ALA A 300 -4.857 9.246 0.654 1.00 0.00 C ATOM 112 O ALA A 300 -5.993 9.696 0.500 1.00 0.00 O ATOM 113 CB ALA A 300 -4.994 7.776 -1.364 1.00 0.00 C ATOM 0 H ALA A 300 -2.916 6.968 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.779 9.551 -1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.902 8.313 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.473 7.458 -2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.256 6.901 -0.770 1.00 0.00 H new ATOM 119 N VAL A 301 -4.258 9.223 1.846 1.00 0.00 N ATOM 120 CA VAL A 301 -4.944 9.744 3.028 1.00 0.00 C ATOM 121 C VAL A 301 -4.187 10.908 3.674 1.00 0.00 C ATOM 122 O VAL A 301 -4.802 11.774 4.297 1.00 0.00 O ATOM 123 CB VAL A 301 -5.215 8.640 4.090 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.733 7.284 3.612 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.582 8.986 5.431 1.00 0.00 C ATOM 0 H VAL A 301 -3.321 8.858 2.017 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.903 10.116 2.668 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.295 8.589 4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -4.937 6.535 4.377 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.254 7.016 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.661 7.325 3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.792 8.192 6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.504 9.089 5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.997 9.925 5.798 1.00 0.00 H new ATOM 135 N CYS A 302 -2.861 10.943 3.527 1.00 0.00 N ATOM 136 CA CYS A 302 -2.079 12.021 4.135 1.00 0.00 C ATOM 137 C CYS A 302 -0.873 12.405 3.281 1.00 0.00 C ATOM 138 O CYS A 302 0.139 12.877 3.802 1.00 0.00 O ATOM 139 CB CYS A 302 -1.637 11.634 5.557 1.00 0.00 C ATOM 140 SG CYS A 302 -0.153 10.576 5.651 1.00 0.00 S ATOM 0 H CYS A 302 -2.317 10.256 3.006 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.725 12.897 4.195 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.449 12.547 6.122 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.462 11.119 6.049 1.00 0.00 H new ATOM 0 HG CYS A 302 -0.486 9.399 6.091 1.00 0.00 H new ATOM 145 N ARG A 303 -1.008 12.216 1.965 1.00 0.00 N ATOM 146 CA ARG A 303 0.044 12.553 0.999 1.00 0.00 C ATOM 147 C ARG A 303 1.439 12.498 1.619 1.00 0.00 C ATOM 148 O ARG A 303 2.130 13.514 1.703 1.00 0.00 O ATOM 149 CB ARG A 303 -0.204 13.950 0.422 1.00 0.00 C ATOM 150 CG ARG A 303 -1.610 14.160 -0.115 1.00 0.00 C ATOM 151 CD ARG A 303 -1.915 13.213 -1.259 1.00 0.00 C ATOM 152 NE ARG A 303 -3.301 13.324 -1.706 1.00 0.00 N ATOM 153 CZ ARG A 303 -3.886 12.455 -2.526 1.00 0.00 C ATOM 154 NH1 ARG A 303 -3.210 11.410 -2.983 1.00 0.00 N ATOM 155 NH2 ARG A 303 -5.150 12.630 -2.886 1.00 0.00 N ATOM 0 H ARG A 303 -1.848 11.826 1.539 1.00 0.00 H new ATOM 0 HA ARG A 303 0.004 11.807 0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -0.008 14.691 1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.511 14.132 -0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.333 14.009 0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.721 15.190 -0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -1.247 13.425 -2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -1.716 12.188 -0.944 1.00 0.00 H new ATOM 0 HE ARG A 303 -3.852 14.114 -1.370 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -2.238 11.270 -2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -3.662 10.746 -3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -5.674 13.431 -2.534 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -5.598 11.963 -3.515 1.00 0.00 H new ATOM 169 N ASP A 304 1.847 11.310 2.053 1.00 0.00 N ATOM 170 CA ASP A 304 3.160 11.129 2.663 1.00 0.00 C ATOM 171 C ASP A 304 3.773 9.801 2.231 1.00 0.00 C ATOM 172 O ASP A 304 3.070 8.913 1.746 1.00 0.00 O ATOM 173 CB ASP A 304 3.048 11.196 4.188 1.00 0.00 C ATOM 174 CG ASP A 304 4.394 11.070 4.876 1.00 0.00 C ATOM 175 OD1 ASP A 304 5.187 12.033 4.810 1.00 0.00 O ATOM 176 OD2 ASP A 304 4.653 10.010 5.484 1.00 0.00 O ATOM 0 H ASP A 304 1.288 10.459 1.994 1.00 0.00 H new ATOM 0 HA ASP A 304 3.814 11.933 2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.585 12.140 4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 304 2.390 10.400 4.536 1.00 0.00 H new ATOM 181 N GLY A 305 5.086 9.669 2.407 1.00 0.00 N ATOM 182 CA GLY A 305 5.767 8.450 2.016 1.00 0.00 C ATOM 183 C GLY A 305 5.905 7.454 3.148 1.00 0.00 C ATOM 184 O GLY A 305 5.544 7.740 4.288 1.00 0.00 O ATOM 0 H GLY A 305 5.688 10.385 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 305 5.222 7.984 1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.758 8.700 1.638 1.00 0.00 H new ATOM 188 N GLY A 306 6.448 6.285 2.824 1.00 0.00 N ATOM 189 CA GLY A 306 6.617 5.230 3.805 1.00 0.00 C ATOM 190 C GLY A 306 6.033 3.927 3.302 1.00 0.00 C ATOM 191 O GLY A 306 5.791 3.787 2.103 1.00 0.00 O ATOM 0 H GLY A 306 6.777 6.049 1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.677 5.098 4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.132 5.515 4.738 1.00 0.00 H new ATOM 195 N GLU A 307 5.793 2.971 4.193 1.00 0.00 N ATOM 196 CA GLU A 307 5.222 1.704 3.769 1.00 0.00 C ATOM 197 C GLU A 307 3.741 1.885 3.474 1.00 0.00 C ATOM 198 O GLU A 307 2.949 2.150 4.378 1.00 0.00 O ATOM 199 CB GLU A 307 5.416 0.629 4.841 1.00 0.00 C ATOM 200 CG GLU A 307 5.081 -0.773 4.354 1.00 0.00 C ATOM 201 CD GLU A 307 5.019 -1.788 5.478 1.00 0.00 C ATOM 202 OE1 GLU A 307 5.932 -1.789 6.330 1.00 0.00 O ATOM 203 OE2 GLU A 307 4.053 -2.581 5.507 1.00 0.00 O ATOM 0 H GLU A 307 5.981 3.048 5.193 1.00 0.00 H new ATOM 0 HA GLU A 307 5.736 1.377 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.451 0.650 5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.790 0.867 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.122 -0.753 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 307 5.830 -1.088 3.627 1.00 0.00 H new ATOM 210 N LEU A 308 3.372 1.743 2.207 1.00 0.00 N ATOM 211 CA LEU A 308 1.983 1.897 1.805 1.00 0.00 C ATOM 212 C LEU A 308 1.468 0.628 1.142 1.00 0.00 C ATOM 213 O LEU A 308 2.239 -0.144 0.577 1.00 0.00 O ATOM 214 CB LEU A 308 1.815 3.078 0.845 1.00 0.00 C ATOM 215 CG LEU A 308 2.876 4.168 0.933 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.821 5.047 -0.306 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.659 5.002 2.179 1.00 0.00 C ATOM 0 H LEU A 308 4.013 1.523 1.445 1.00 0.00 H new ATOM 0 HA LEU A 308 1.402 2.090 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.802 2.693 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.841 3.532 1.026 1.00 0.00 H new ATOM 0 HG LEU A 308 3.860 3.703 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.583 5.824 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 308 3.004 4.439 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.837 5.510 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.422 5.779 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.673 5.464 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.726 4.364 3.060 1.00 0.00 H new ATOM 229 N ILE A 309 0.161 0.429 1.214 1.00 0.00 N ATOM 230 CA ILE A 309 -0.479 -0.736 0.626 1.00 0.00 C ATOM 231 C ILE A 309 -1.279 -0.347 -0.610 1.00 0.00 C ATOM 232 O ILE A 309 -2.262 0.389 -0.525 1.00 0.00 O ATOM 233 CB ILE A 309 -1.401 -1.426 1.645 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.200 -2.548 0.982 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.326 -0.413 2.288 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.103 -3.290 1.939 1.00 0.00 C ATOM 0 H ILE A 309 -0.483 1.068 1.680 1.00 0.00 H new ATOM 0 HA ILE A 309 0.306 -1.433 0.333 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.782 -1.871 2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -2.803 -2.127 0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.508 -3.255 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -2.973 -0.916 3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.735 0.346 2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -2.937 0.061 1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.639 -4.072 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.503 -3.740 2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.819 -2.594 2.377 1.00 0.00 H new ATOM 248 N CYS A 310 -0.851 -0.855 -1.756 1.00 0.00 N ATOM 249 CA CYS A 310 -1.501 -0.552 -3.022 1.00 0.00 C ATOM 250 C CYS A 310 -2.892 -1.174 -3.112 1.00 0.00 C ATOM 251 O CYS A 310 -3.112 -2.306 -2.682 1.00 0.00 O ATOM 252 CB CYS A 310 -0.630 -1.042 -4.174 1.00 0.00 C ATOM 253 SG CYS A 310 -1.200 -2.575 -4.946 1.00 0.00 S ATOM 0 H CYS A 310 -0.051 -1.483 -1.835 1.00 0.00 H new ATOM 0 HA CYS A 310 -1.624 0.529 -3.086 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.583 -0.263 -4.935 1.00 0.00 H new ATOM 0 HB3 CYS A 310 0.386 -1.191 -3.807 1.00 0.00 H new ATOM 0 HG CYS A 310 -1.974 -3.215 -4.120 1.00 0.00 H new ATOM 259 N CYS A 311 -3.824 -0.412 -3.676 1.00 0.00 N ATOM 260 CA CYS A 311 -5.195 -0.864 -3.850 1.00 0.00 C ATOM 261 C CYS A 311 -5.326 -1.704 -5.118 1.00 0.00 C ATOM 262 O CYS A 311 -4.538 -1.559 -6.052 1.00 0.00 O ATOM 263 CB CYS A 311 -6.143 0.338 -3.918 1.00 0.00 C ATOM 264 SG CYS A 311 -7.894 -0.122 -4.094 1.00 0.00 S ATOM 0 H CYS A 311 -3.649 0.531 -4.023 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.465 -1.482 -2.994 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.023 0.936 -3.015 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -5.856 0.969 -4.759 1.00 0.00 H new ATOM 0 HG CYS A 311 -8.642 0.831 -3.622 1.00 0.00 H new ATOM 269 N ASP A 312 -6.324 -2.579 -5.141 1.00 0.00 N ATOM 270 CA ASP A 312 -6.556 -3.450 -6.287 1.00 0.00 C ATOM 271 C ASP A 312 -7.632 -2.878 -7.201 1.00 0.00 C ATOM 272 O ASP A 312 -7.747 -3.269 -8.363 1.00 0.00 O ATOM 273 CB ASP A 312 -6.969 -4.843 -5.810 1.00 0.00 C ATOM 274 CG ASP A 312 -7.075 -5.839 -6.949 1.00 0.00 C ATOM 275 OD1 ASP A 312 -8.137 -5.880 -7.604 1.00 0.00 O ATOM 276 OD2 ASP A 312 -6.095 -6.578 -7.184 1.00 0.00 O ATOM 0 H ASP A 312 -6.988 -2.704 -4.377 1.00 0.00 H new ATOM 0 HA ASP A 312 -5.627 -3.520 -6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -6.243 -5.204 -5.082 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -7.929 -4.778 -5.298 1.00 0.00 H new ATOM 281 N GLY A 313 -8.420 -1.951 -6.668 1.00 0.00 N ATOM 282 CA GLY A 313 -9.479 -1.341 -7.448 1.00 0.00 C ATOM 283 C GLY A 313 -9.059 -0.030 -8.083 1.00 0.00 C ATOM 284 O GLY A 313 -9.683 0.426 -9.042 1.00 0.00 O ATOM 0 H GLY A 313 -8.344 -1.611 -5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -9.794 -2.033 -8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -10.343 -1.169 -6.807 1.00 0.00 H new ATOM 288 N CYS A 314 -8.002 0.578 -7.554 1.00 0.00 N ATOM 289 CA CYS A 314 -7.516 1.847 -8.086 1.00 0.00 C ATOM 290 C CYS A 314 -6.033 2.060 -7.771 1.00 0.00 C ATOM 291 O CYS A 314 -5.482 1.431 -6.867 1.00 0.00 O ATOM 292 CB CYS A 314 -8.340 3.003 -7.521 1.00 0.00 C ATOM 293 SG CYS A 314 -8.077 3.303 -5.747 1.00 0.00 S ATOM 0 H CYS A 314 -7.469 0.216 -6.763 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.627 1.817 -9.170 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -8.098 3.912 -8.072 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -9.397 2.799 -7.691 1.00 0.00 H new ATOM 0 HG CYS A 314 -8.007 2.166 -5.120 1.00 0.00 H new ATOM 298 N PRO A 315 -5.370 2.956 -8.532 1.00 0.00 N ATOM 299 CA PRO A 315 -3.939 3.272 -8.359 1.00 0.00 C ATOM 300 C PRO A 315 -3.629 4.088 -7.101 1.00 0.00 C ATOM 301 O PRO A 315 -3.165 5.226 -7.197 1.00 0.00 O ATOM 302 CB PRO A 315 -3.598 4.112 -9.601 1.00 0.00 C ATOM 303 CG PRO A 315 -4.770 3.995 -10.516 1.00 0.00 C ATOM 304 CD PRO A 315 -5.957 3.713 -9.644 1.00 0.00 C ATOM 0 HA PRO A 315 -3.361 2.355 -8.249 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.418 5.152 -9.330 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.691 3.746 -10.082 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -4.914 4.915 -11.083 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -4.620 3.194 -11.240 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.434 4.631 -9.301 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.717 3.136 -10.170 1.00 0.00 H new ATOM 312 N ARG A 316 -3.850 3.507 -5.926 1.00 0.00 N ATOM 313 CA ARG A 316 -3.578 4.211 -4.673 1.00 0.00 C ATOM 314 C ARG A 316 -2.814 3.335 -3.685 1.00 0.00 C ATOM 315 O ARG A 316 -2.588 2.154 -3.932 1.00 0.00 O ATOM 316 CB ARG A 316 -4.880 4.701 -4.041 1.00 0.00 C ATOM 317 CG ARG A 316 -5.428 5.960 -4.688 1.00 0.00 C ATOM 318 CD ARG A 316 -6.653 6.472 -3.947 1.00 0.00 C ATOM 319 NE ARG A 316 -7.899 5.999 -4.542 1.00 0.00 N ATOM 320 CZ ARG A 316 -9.069 6.016 -3.910 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.150 6.470 -2.666 1.00 0.00 N ATOM 322 NH2 ARG A 316 -10.161 5.577 -4.522 1.00 0.00 N ATOM 0 H ARG A 316 -4.213 2.560 -5.813 1.00 0.00 H new ATOM 0 HA ARG A 316 -2.950 5.069 -4.912 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.628 3.911 -4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.712 4.890 -2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -4.658 6.731 -4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.688 5.755 -5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -6.605 6.151 -2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -6.645 7.562 -3.946 1.00 0.00 H new ATOM 0 HE ARG A 316 -7.871 5.636 -5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -8.313 6.808 -2.191 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.049 6.481 -2.185 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -10.104 5.226 -5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -11.058 5.590 -4.037 1.00 0.00 H new ATOM 336 N ALA A 317 -2.416 3.940 -2.568 1.00 0.00 N ATOM 337 CA ALA A 317 -1.674 3.245 -1.518 1.00 0.00 C ATOM 338 C ALA A 317 -2.034 3.839 -0.149 1.00 0.00 C ATOM 339 O ALA A 317 -2.322 5.032 -0.054 1.00 0.00 O ATOM 340 CB ALA A 317 -0.181 3.358 -1.779 1.00 0.00 C ATOM 0 H ALA A 317 -2.598 4.923 -2.365 1.00 0.00 H new ATOM 0 HA ALA A 317 -1.945 2.189 -1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.366 2.838 -0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 317 0.055 2.908 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 317 0.108 4.409 -1.788 1.00 0.00 H new ATOM 346 N PHE A 318 -2.025 3.021 0.909 1.00 0.00 N ATOM 347 CA PHE A 318 -2.381 3.515 2.247 1.00 0.00 C ATOM 348 C PHE A 318 -1.345 3.143 3.313 1.00 0.00 C ATOM 349 O PHE A 318 -0.693 2.105 3.236 1.00 0.00 O ATOM 350 CB PHE A 318 -3.762 2.982 2.651 1.00 0.00 C ATOM 351 CG PHE A 318 -4.891 3.585 1.880 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.061 3.278 0.552 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.783 4.452 2.486 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.098 3.821 -0.172 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.828 5.003 1.770 1.00 0.00 C ATOM 356 CZ PHE A 318 -6.985 4.687 0.436 1.00 0.00 C ATOM 0 H PHE A 318 -1.780 2.032 0.870 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.402 4.603 2.190 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.778 1.901 2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -3.918 3.171 3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.371 2.601 0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.661 4.701 3.530 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.218 3.570 -1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.519 5.678 2.252 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.799 5.115 -0.130 1.00 0.00 H new ATOM 366 N HIS A 319 -1.223 4.008 4.321 1.00 0.00 N ATOM 367 CA HIS A 319 -0.276 3.808 5.423 1.00 0.00 C ATOM 368 C HIS A 319 -0.802 2.813 6.451 1.00 0.00 C ATOM 369 O HIS A 319 -0.553 2.978 7.644 1.00 0.00 O ATOM 370 CB HIS A 319 -0.030 5.128 6.145 1.00 0.00 C ATOM 371 CG HIS A 319 1.146 5.906 5.673 1.00 0.00 C ATOM 372 ND1 HIS A 319 1.058 7.240 5.363 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.440 5.556 5.501 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.254 7.687 5.023 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.109 6.684 5.099 1.00 0.00 N ATOM 0 H HIS A 319 -1.774 4.863 4.398 1.00 0.00 H new ATOM 0 HA HIS A 319 0.643 3.421 4.983 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -0.920 5.749 6.043 1.00 0.00 H new ATOM 0 HB3 HIS A 319 0.095 4.923 7.208 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.866 4.575 5.651 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.492 8.700 4.733 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.106 6.739 4.892 1.00 0.00 H new ATOM 383 N LEU A 320 -1.533 1.799 6.002 1.00 0.00 N ATOM 384 CA LEU A 320 -2.079 0.800 6.916 1.00 0.00 C ATOM 385 C LEU A 320 -3.087 1.430 7.866 1.00 0.00 C ATOM 386 O LEU A 320 -4.297 1.307 7.681 1.00 0.00 O ATOM 387 CB LEU A 320 -0.959 0.153 7.725 1.00 0.00 C ATOM 388 CG LEU A 320 0.135 -0.551 6.918 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.567 -1.811 7.621 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.342 -0.872 5.516 1.00 0.00 C ATOM 0 H LEU A 320 -1.760 1.647 5.019 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.582 0.039 6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.491 0.922 8.339 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.403 -0.572 8.407 1.00 0.00 H new ATOM 0 HG LEU A 320 0.987 0.124 6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.345 -2.304 7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.956 -1.562 8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.287 -2.480 7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.455 -1.372 4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.212 -1.527 5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.613 0.051 5.004 1.00 0.00 H new ATOM 402 N ALA A 321 -2.570 2.099 8.888 1.00 0.00 N ATOM 403 CA ALA A 321 -3.403 2.762 9.877 1.00 0.00 C ATOM 404 C ALA A 321 -4.082 3.989 9.283 1.00 0.00 C ATOM 405 O ALA A 321 -5.051 4.504 9.839 1.00 0.00 O ATOM 406 CB ALA A 321 -2.567 3.145 11.085 1.00 0.00 C ATOM 0 H ALA A 321 -1.568 2.196 9.053 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.183 2.070 10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.198 3.641 11.822 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.132 2.248 11.526 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.770 3.821 10.776 1.00 0.00 H new ATOM 412 N CYS A 322 -3.566 4.455 8.146 1.00 0.00 N ATOM 413 CA CYS A 322 -4.145 5.625 7.476 1.00 0.00 C ATOM 414 C CYS A 322 -5.475 5.252 6.838 1.00 0.00 C ATOM 415 O CYS A 322 -6.173 6.094 6.270 1.00 0.00 O ATOM 416 CB CYS A 322 -3.187 6.188 6.420 1.00 0.00 C ATOM 417 SG CYS A 322 -2.090 7.518 7.042 1.00 0.00 S ATOM 0 H CYS A 322 -2.759 4.049 7.673 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.312 6.400 8.224 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.572 5.376 6.032 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.770 6.574 5.584 1.00 0.00 H new ATOM 0 HG CYS A 322 -0.982 7.521 6.361 1.00 0.00 H new ATOM 422 N LEU A 323 -5.811 3.974 6.944 1.00 0.00 N ATOM 423 CA LEU A 323 -7.053 3.437 6.404 1.00 0.00 C ATOM 424 C LEU A 323 -8.190 3.613 7.397 1.00 0.00 C ATOM 425 O LEU A 323 -7.941 3.784 8.591 1.00 0.00 O ATOM 426 CB LEU A 323 -6.881 1.944 6.128 1.00 0.00 C ATOM 427 CG LEU A 323 -6.283 1.589 4.783 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.670 0.198 4.834 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.354 1.672 3.715 1.00 0.00 C ATOM 0 H LEU A 323 -5.228 3.278 7.408 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.289 3.974 5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.250 1.519 6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.856 1.464 6.210 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.492 2.297 4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.243 -0.047 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -4.886 0.173 5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.441 -0.530 5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -6.923 1.416 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.157 0.974 3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.753 2.686 3.678 1.00 0.00 H new ATOM 441 N SER A 324 -9.437 3.587 6.919 1.00 0.00 N ATOM 442 CA SER A 324 -10.561 3.683 7.841 1.00 0.00 C ATOM 443 C SER A 324 -10.360 2.585 8.883 1.00 0.00 C ATOM 444 O SER A 324 -10.356 2.857 10.083 1.00 0.00 O ATOM 445 CB SER A 324 -11.914 3.569 7.124 1.00 0.00 C ATOM 446 OG SER A 324 -12.197 4.744 6.383 1.00 0.00 O ATOM 0 H SER A 324 -9.685 3.503 5.933 1.00 0.00 H new ATOM 0 HA SER A 324 -10.586 4.663 8.317 1.00 0.00 H new ATOM 0 HB2 SER A 324 -11.904 2.707 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 324 -12.704 3.397 7.855 1.00 0.00 H new ATOM 0 HG SER A 324 -13.063 4.647 5.934 1.00 0.00 H new ATOM 452 N PRO A 325 -10.186 1.319 8.435 1.00 0.00 N ATOM 453 CA PRO A 325 -9.868 0.211 9.300 1.00 0.00 C ATOM 454 C PRO A 325 -8.382 -0.097 9.151 1.00 0.00 C ATOM 455 O PRO A 325 -7.908 -0.346 8.041 1.00 0.00 O ATOM 456 CB PRO A 325 -10.724 -0.905 8.728 1.00 0.00 C ATOM 457 CG PRO A 325 -10.858 -0.589 7.264 1.00 0.00 C ATOM 458 CD PRO A 325 -10.345 0.822 7.057 1.00 0.00 C ATOM 0 HA PRO A 325 -10.056 0.377 10.361 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.256 -1.878 8.880 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.699 -0.942 9.214 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.286 -1.297 6.664 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -11.898 -0.670 6.947 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.401 0.833 6.512 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.049 1.429 6.487 1.00 0.00 H new ATOM 466 N PRO A 326 -7.618 -0.100 10.244 1.00 0.00 N ATOM 467 CA PRO A 326 -6.182 -0.311 10.168 1.00 0.00 C ATOM 468 C PRO A 326 -5.785 -1.764 10.004 1.00 0.00 C ATOM 469 O PRO A 326 -6.346 -2.664 10.630 1.00 0.00 O ATOM 470 CB PRO A 326 -5.691 0.263 11.477 1.00 0.00 C ATOM 471 CG PRO A 326 -6.796 -0.015 12.432 1.00 0.00 C ATOM 472 CD PRO A 326 -8.080 0.047 11.633 1.00 0.00 C ATOM 0 HA PRO A 326 -5.746 0.161 9.287 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -4.761 -0.208 11.795 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.495 1.332 11.395 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.673 -0.995 12.893 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.805 0.718 13.239 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.769 -0.749 11.915 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.604 0.990 11.785 1.00 0.00 H new ATOM 480 N LEU A 327 -4.805 -1.960 9.142 1.00 0.00 N ATOM 481 CA LEU A 327 -4.284 -3.274 8.825 1.00 0.00 C ATOM 482 C LEU A 327 -3.306 -3.766 9.875 1.00 0.00 C ATOM 483 O LEU A 327 -2.091 -3.639 9.710 1.00 0.00 O ATOM 484 CB LEU A 327 -3.610 -3.224 7.462 1.00 0.00 C ATOM 485 CG LEU A 327 -4.463 -2.598 6.372 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.691 -2.486 5.080 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.718 -3.412 6.176 1.00 0.00 C ATOM 0 H LEU A 327 -4.344 -1.203 8.638 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.116 -3.978 8.808 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.680 -2.662 7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.343 -4.238 7.163 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.740 -1.590 6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.324 -2.035 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -2.810 -1.863 5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.381 -3.479 4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.327 -2.959 5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.451 -4.428 5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.284 -3.437 7.107 1.00 0.00 H new ATOM 499 N ARG A 328 -3.839 -4.313 10.965 1.00 0.00 N ATOM 500 CA ARG A 328 -3.004 -4.872 12.024 1.00 0.00 C ATOM 501 C ARG A 328 -1.966 -5.781 11.391 1.00 0.00 C ATOM 502 O ARG A 328 -0.899 -6.039 11.949 1.00 0.00 O ATOM 503 CB ARG A 328 -3.851 -5.684 13.001 1.00 0.00 C ATOM 504 CG ARG A 328 -4.573 -4.860 14.049 1.00 0.00 C ATOM 505 CD ARG A 328 -5.527 -3.848 13.436 1.00 0.00 C ATOM 506 NE ARG A 328 -6.262 -3.108 14.457 1.00 0.00 N ATOM 507 CZ ARG A 328 -7.527 -2.716 14.321 1.00 0.00 C ATOM 508 NH1 ARG A 328 -8.195 -2.992 13.208 1.00 0.00 N ATOM 509 NH2 ARG A 328 -8.124 -2.047 15.299 1.00 0.00 N ATOM 0 H ARG A 328 -4.842 -4.381 11.137 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.523 -4.060 12.570 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.588 -6.254 12.435 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -3.208 -6.406 13.505 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -5.129 -5.525 14.710 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -3.840 -4.338 14.665 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -4.966 -3.150 12.814 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -6.231 -4.362 12.782 1.00 0.00 H new ATOM 0 HE ARG A 328 -5.778 -2.878 15.325 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -7.739 -3.506 12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -9.164 -2.690 13.107 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -7.614 -1.833 16.156 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -9.093 -1.747 15.194 1.00 0.00 H new ATOM 523 N GLU A 329 -2.320 -6.257 10.206 1.00 0.00 N ATOM 524 CA GLU A 329 -1.473 -7.135 9.420 1.00 0.00 C ATOM 525 C GLU A 329 -1.941 -7.113 7.973 1.00 0.00 C ATOM 526 O GLU A 329 -3.098 -7.409 7.673 1.00 0.00 O ATOM 527 CB GLU A 329 -1.495 -8.558 9.980 1.00 0.00 C ATOM 528 CG GLU A 329 -2.897 -9.102 10.189 1.00 0.00 C ATOM 529 CD GLU A 329 -2.905 -10.426 10.929 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.945 -10.408 12.177 1.00 0.00 O ATOM 531 OE2 GLU A 329 -2.873 -11.480 10.260 1.00 0.00 O ATOM 0 H GLU A 329 -3.212 -6.041 9.761 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.443 -6.781 9.470 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -0.955 -9.217 9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.961 -8.575 10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.485 -8.374 10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.382 -9.228 9.221 1.00 0.00 H new ATOM 538 N ILE A 330 -1.028 -6.752 7.090 1.00 0.00 N ATOM 539 CA ILE A 330 -1.309 -6.629 5.673 1.00 0.00 C ATOM 540 C ILE A 330 -2.164 -7.762 5.093 1.00 0.00 C ATOM 541 O ILE A 330 -1.940 -8.942 5.364 1.00 0.00 O ATOM 542 CB ILE A 330 0.004 -6.512 4.904 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.683 -5.210 5.314 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.236 -6.567 3.403 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.046 -3.978 4.864 1.00 0.00 C ATOM 0 H ILE A 330 -0.063 -6.534 7.339 1.00 0.00 H new ATOM 0 HA ILE A 330 -1.909 -5.726 5.558 1.00 0.00 H new ATOM 0 HB ILE A 330 0.654 -7.353 5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.779 -5.188 6.400 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.693 -5.193 4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.716 -6.481 2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.709 -7.515 3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -0.888 -5.744 3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.498 -3.093 5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.119 -3.975 3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.047 -3.970 5.295 1.00 0.00 H new ATOM 557 N PRO A 331 -3.164 -7.378 4.269 1.00 0.00 N ATOM 558 CA PRO A 331 -4.095 -8.304 3.595 1.00 0.00 C ATOM 559 C PRO A 331 -3.392 -9.310 2.683 1.00 0.00 C ATOM 560 O PRO A 331 -2.329 -9.026 2.126 1.00 0.00 O ATOM 561 CB PRO A 331 -4.967 -7.375 2.750 1.00 0.00 C ATOM 562 CG PRO A 331 -4.857 -6.052 3.413 1.00 0.00 C ATOM 563 CD PRO A 331 -3.475 -5.978 3.949 1.00 0.00 C ATOM 0 HA PRO A 331 -4.640 -8.908 4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.617 -7.332 1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -6.001 -7.719 2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -5.045 -5.244 2.706 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.592 -5.954 4.212 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -2.780 -5.569 3.216 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.419 -5.341 4.832 1.00 0.00 H new ATOM 571 N SER A 332 -4.012 -10.475 2.504 1.00 0.00 N ATOM 572 CA SER A 332 -3.445 -11.521 1.659 1.00 0.00 C ATOM 573 C SER A 332 -4.083 -11.508 0.273 1.00 0.00 C ATOM 574 O SER A 332 -5.245 -11.133 0.118 1.00 0.00 O ATOM 575 CB SER A 332 -3.635 -12.888 2.307 1.00 0.00 C ATOM 576 OG SER A 332 -3.303 -12.852 3.684 1.00 0.00 O ATOM 0 H SER A 332 -4.905 -10.717 2.933 1.00 0.00 H new ATOM 0 HA SER A 332 -2.378 -11.325 1.549 1.00 0.00 H new ATOM 0 HB2 SER A 332 -4.670 -13.209 2.188 1.00 0.00 H new ATOM 0 HB3 SER A 332 -3.012 -13.624 1.799 1.00 0.00 H new ATOM 0 HG SER A 332 -3.435 -13.741 4.076 1.00 0.00 H new ATOM 582 N GLY A 333 -3.314 -11.922 -0.729 1.00 0.00 N ATOM 583 CA GLY A 333 -3.817 -11.948 -2.091 1.00 0.00 C ATOM 584 C GLY A 333 -4.113 -10.559 -2.622 1.00 0.00 C ATOM 585 O GLY A 333 -3.196 -9.796 -2.924 1.00 0.00 O ATOM 0 H GLY A 333 -2.351 -12.240 -0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -3.085 -12.433 -2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -4.725 -12.550 -2.129 1.00 0.00 H new ATOM 589 N THR A 334 -5.397 -10.233 -2.737 1.00 0.00 N ATOM 590 CA THR A 334 -5.813 -8.925 -3.230 1.00 0.00 C ATOM 591 C THR A 334 -6.311 -8.049 -2.086 1.00 0.00 C ATOM 592 O THR A 334 -6.445 -8.511 -0.952 1.00 0.00 O ATOM 593 CB THR A 334 -6.923 -9.048 -4.288 1.00 0.00 C ATOM 594 OG1 THR A 334 -8.058 -9.721 -3.731 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.427 -9.806 -5.511 1.00 0.00 C ATOM 0 H THR A 334 -6.167 -10.857 -2.495 1.00 0.00 H new ATOM 0 HA THR A 334 -4.939 -8.464 -3.689 1.00 0.00 H new ATOM 0 HB THR A 334 -7.212 -8.043 -4.597 1.00 0.00 H new ATOM 0 HG1 THR A 334 -8.761 -9.794 -4.410 1.00 0.00 H new ATOM 0 HG21 THR A 334 -7.230 -9.879 -6.244 1.00 0.00 H new ATOM 0 HG22 THR A 334 -5.582 -9.275 -5.950 1.00 0.00 H new ATOM 0 HG23 THR A 334 -6.113 -10.807 -5.216 1.00 0.00 H new ATOM 603 N TRP A 335 -6.586 -6.783 -2.393 1.00 0.00 N ATOM 604 CA TRP A 335 -7.067 -5.839 -1.389 1.00 0.00 C ATOM 605 C TRP A 335 -7.414 -4.496 -2.020 1.00 0.00 C ATOM 606 O TRP A 335 -6.613 -3.926 -2.757 1.00 0.00 O ATOM 607 CB TRP A 335 -6.013 -5.631 -0.298 1.00 0.00 C ATOM 608 CG TRP A 335 -6.331 -4.495 0.628 1.00 0.00 C ATOM 609 CD1 TRP A 335 -7.010 -4.570 1.811 1.00 0.00 C ATOM 610 CD2 TRP A 335 -5.993 -3.111 0.448 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.088 -3.326 2.390 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.483 -2.416 1.568 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.319 -2.389 -0.548 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.321 -1.046 1.723 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.163 -1.025 -0.392 1.00 0.00 C ATOM 616 CH2 TRP A 335 -5.663 -0.367 0.737 1.00 0.00 C ATOM 0 H TRP A 335 -6.484 -6.388 -3.328 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.968 -6.261 -0.945 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.917 -6.548 0.283 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.046 -5.448 -0.767 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.425 -5.475 2.230 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.526 -3.116 3.287 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -4.929 -2.890 -1.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -6.702 -0.534 2.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -4.647 -0.458 -1.153 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -5.526 0.700 0.831 1.00 0.00 H new ATOM 627 N ARG A 336 -8.610 -3.997 -1.726 1.00 0.00 N ATOM 628 CA ARG A 336 -9.046 -2.714 -2.240 1.00 0.00 C ATOM 629 C ARG A 336 -9.055 -1.676 -1.139 1.00 0.00 C ATOM 630 O ARG A 336 -8.756 -1.968 0.015 1.00 0.00 O ATOM 631 CB ARG A 336 -10.450 -2.812 -2.821 1.00 0.00 C ATOM 632 CG ARG A 336 -10.489 -3.326 -4.230 1.00 0.00 C ATOM 633 CD ARG A 336 -10.535 -4.815 -4.178 1.00 0.00 C ATOM 634 NE ARG A 336 -10.473 -5.435 -5.499 1.00 0.00 N ATOM 635 CZ ARG A 336 -10.623 -6.740 -5.707 1.00 0.00 C ATOM 636 NH1 ARG A 336 -10.857 -7.556 -4.688 1.00 0.00 N ATOM 637 NH2 ARG A 336 -10.541 -7.230 -6.936 1.00 0.00 N ATOM 0 H ARG A 336 -9.293 -4.467 -1.132 1.00 0.00 H new ATOM 0 HA ARG A 336 -8.346 -2.420 -3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.050 -3.467 -2.189 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -10.915 -1.827 -2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -11.362 -2.936 -4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -9.611 -2.991 -4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -9.704 -5.178 -3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -11.452 -5.127 -3.679 1.00 0.00 H new ATOM 0 HE ARG A 336 -10.306 -4.834 -6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -10.923 -7.183 -3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -10.971 -8.556 -4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -10.363 -6.606 -7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -10.656 -8.231 -7.095 1.00 0.00 H new ATOM 651 N CYS A 337 -9.431 -0.470 -1.505 1.00 0.00 N ATOM 652 CA CYS A 337 -9.513 0.626 -0.545 1.00 0.00 C ATOM 653 C CYS A 337 -10.972 0.886 -0.196 1.00 0.00 C ATOM 654 O CYS A 337 -11.857 0.558 -0.976 1.00 0.00 O ATOM 655 CB CYS A 337 -8.848 1.893 -1.086 1.00 0.00 C ATOM 656 SG CYS A 337 -9.769 2.712 -2.423 1.00 0.00 S ATOM 0 H CYS A 337 -9.686 -0.216 -2.459 1.00 0.00 H new ATOM 0 HA CYS A 337 -8.974 0.340 0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.718 2.599 -0.266 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -7.852 1.639 -1.450 1.00 0.00 H new ATOM 0 HG CYS A 337 -9.002 2.837 -3.465 1.00 0.00 H new ATOM 661 N SER A 338 -11.208 1.479 0.972 1.00 0.00 N ATOM 662 CA SER A 338 -12.567 1.755 1.463 1.00 0.00 C ATOM 663 C SER A 338 -13.593 1.968 0.341 1.00 0.00 C ATOM 664 O SER A 338 -14.636 1.314 0.323 1.00 0.00 O ATOM 665 CB SER A 338 -12.556 2.970 2.392 1.00 0.00 C ATOM 666 OG SER A 338 -12.116 4.132 1.710 1.00 0.00 O ATOM 0 H SER A 338 -10.470 1.783 1.607 1.00 0.00 H new ATOM 0 HA SER A 338 -12.881 0.865 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 338 -13.557 3.136 2.790 1.00 0.00 H new ATOM 0 HB3 SER A 338 -11.903 2.775 3.243 1.00 0.00 H new ATOM 0 HG SER A 338 -12.120 4.894 2.326 1.00 0.00 H new ATOM 672 N SER A 339 -13.312 2.882 -0.582 1.00 0.00 N ATOM 673 CA SER A 339 -14.232 3.155 -1.684 1.00 0.00 C ATOM 674 C SER A 339 -14.446 1.915 -2.555 1.00 0.00 C ATOM 675 O SER A 339 -15.573 1.428 -2.713 1.00 0.00 O ATOM 676 CB SER A 339 -13.702 4.304 -2.528 1.00 0.00 C ATOM 677 OG SER A 339 -12.420 4.013 -3.052 1.00 0.00 O ATOM 0 H SER A 339 -12.461 3.444 -0.591 1.00 0.00 H new ATOM 0 HA SER A 339 -15.196 3.433 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 339 -14.394 4.505 -3.346 1.00 0.00 H new ATOM 0 HB3 SER A 339 -13.652 5.209 -1.923 1.00 0.00 H new ATOM 0 HG SER A 339 -11.856 3.633 -2.346 1.00 0.00 H new ATOM 683 N CYS A 340 -13.354 1.405 -3.113 1.00 0.00 N ATOM 684 CA CYS A 340 -13.399 0.232 -3.966 1.00 0.00 C ATOM 685 C CYS A 340 -14.034 -0.935 -3.225 1.00 0.00 C ATOM 686 O CYS A 340 -14.548 -1.869 -3.837 1.00 0.00 O ATOM 687 CB CYS A 340 -11.986 -0.137 -4.401 1.00 0.00 C ATOM 688 SG CYS A 340 -11.177 1.075 -5.494 1.00 0.00 S ATOM 0 H CYS A 340 -12.419 1.793 -2.986 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.002 0.456 -4.846 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.371 -0.269 -3.511 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.019 -1.099 -4.912 1.00 0.00 H new ATOM 0 HG CYS A 340 -10.508 1.928 -4.776 1.00 0.00 H new ATOM 693 N LEU A 341 -13.980 -0.873 -1.899 1.00 0.00 N ATOM 694 CA LEU A 341 -14.552 -1.907 -1.055 1.00 0.00 C ATOM 695 C LEU A 341 -16.062 -1.937 -1.214 1.00 0.00 C ATOM 696 O LEU A 341 -16.651 -2.989 -1.465 1.00 0.00 O ATOM 697 CB LEU A 341 -14.195 -1.663 0.406 1.00 0.00 C ATOM 698 CG LEU A 341 -13.096 -2.551 0.991 1.00 0.00 C ATOM 699 CD1 LEU A 341 -13.391 -4.012 0.732 1.00 0.00 C ATOM 700 CD2 LEU A 341 -11.746 -2.168 0.429 1.00 0.00 C ATOM 0 H LEU A 341 -13.541 -0.109 -1.385 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.139 -2.868 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -13.888 -0.623 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -15.096 -1.794 1.005 1.00 0.00 H new ATOM 0 HG LEU A 341 -13.072 -2.397 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -12.596 -4.625 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -14.341 -4.279 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -13.449 -4.187 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -10.978 -2.811 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -11.756 -2.287 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -11.530 -1.129 0.678 1.00 0.00 H new ATOM 803 N ALA B 1 -1.923 -7.949 -1.077 1.00 0.00 N ATOM 804 CA ALA B 1 -2.135 -6.528 -0.700 1.00 0.00 C ATOM 805 C ALA B 1 -1.087 -5.621 -1.345 1.00 0.00 C ATOM 806 O ALA B 1 -1.343 -4.444 -1.594 1.00 0.00 O ATOM 807 CB ALA B 1 -2.097 -6.397 0.810 1.00 0.00 C ATOM 0 H1 ALA B 1 -2.639 -8.542 -0.611 1.00 0.00 H new ATOM 0 H2 ALA B 1 -2.007 -8.051 -2.109 1.00 0.00 H new ATOM 0 H3 ALA B 1 -0.974 -8.250 -0.776 1.00 0.00 H new ATOM 0 HA ALA B 1 -3.111 -6.211 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -2.252 -5.355 1.089 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -2.884 -7.011 1.248 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -1.128 -6.731 1.180 1.00 0.00 H new ATOM 815 N ARG B 2 0.090 -6.185 -1.615 1.00 0.00 N ATOM 816 CA ARG B 2 1.190 -5.438 -2.229 1.00 0.00 C ATOM 817 C ARG B 2 1.468 -4.142 -1.475 1.00 0.00 C ATOM 818 O ARG B 2 0.901 -3.097 -1.792 1.00 0.00 O ATOM 819 CB ARG B 2 0.891 -5.118 -3.697 1.00 0.00 C ATOM 820 CG ARG B 2 0.582 -6.345 -4.543 1.00 0.00 C ATOM 821 CD ARG B 2 -0.898 -6.693 -4.520 1.00 0.00 C ATOM 822 NE ARG B 2 -1.704 -5.697 -5.218 1.00 0.00 N ATOM 823 CZ ARG B 2 -2.981 -5.876 -5.544 1.00 0.00 C ATOM 824 NH1 ARG B 2 -3.597 -7.007 -5.224 1.00 0.00 N ATOM 825 NH2 ARG B 2 -3.641 -4.926 -6.190 1.00 0.00 N ATOM 0 H ARG B 2 0.308 -7.162 -1.417 1.00 0.00 H new ATOM 0 HA ARG B 2 2.074 -6.073 -2.177 1.00 0.00 H new ATOM 0 HB2 ARG B 2 0.045 -4.433 -3.745 1.00 0.00 H new ATOM 0 HB3 ARG B 2 1.747 -4.598 -4.127 1.00 0.00 H new ATOM 0 HG2 ARG B 2 0.897 -6.165 -5.571 1.00 0.00 H new ATOM 0 HG3 ARG B 2 1.160 -7.193 -4.176 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -1.048 -7.669 -4.981 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.236 -6.773 -3.487 1.00 0.00 H new ATOM 0 HE ARG B 2 -1.263 -4.813 -5.470 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.091 -7.740 -4.727 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -4.576 -7.143 -5.475 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -3.170 -4.056 -6.438 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -4.620 -5.065 -6.439 1.00 0.00 H new ATOM 839 N THR B 3 2.346 -4.215 -0.480 1.00 0.00 N ATOM 840 CA THR B 3 2.695 -3.042 0.312 1.00 0.00 C ATOM 841 C THR B 3 4.208 -2.849 0.362 1.00 0.00 C ATOM 842 O THR B 3 4.934 -3.680 0.909 1.00 0.00 O ATOM 843 CB THR B 3 2.136 -3.143 1.743 1.00 0.00 C ATOM 844 OG1 THR B 3 3.028 -3.892 2.578 1.00 0.00 O ATOM 845 CG2 THR B 3 0.773 -3.812 1.728 1.00 0.00 C ATOM 0 H THR B 3 2.827 -5.071 -0.204 1.00 0.00 H new ATOM 0 HA THR B 3 2.243 -2.178 -0.175 1.00 0.00 H new ATOM 0 HB THR B 3 2.037 -2.134 2.144 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.732 -4.294 2.027 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.389 -3.877 2.746 1.00 0.00 H new ATOM 0 HG22 THR B 3 0.086 -3.225 1.118 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.864 -4.814 1.310 1.00 0.00 H new ATOM 853 N LYS B 4 4.678 -1.751 -0.223 1.00 0.00 N ATOM 854 CA LYS B 4 6.106 -1.450 -0.257 1.00 0.00 C ATOM 855 C LYS B 4 6.391 -0.050 0.280 1.00 0.00 C ATOM 856 O LYS B 4 5.537 0.835 0.224 1.00 0.00 O ATOM 857 CB LYS B 4 6.646 -1.586 -1.685 1.00 0.00 C ATOM 858 CG LYS B 4 5.569 -1.549 -2.761 1.00 0.00 C ATOM 859 CD LYS B 4 4.902 -0.184 -2.854 1.00 0.00 C ATOM 860 CE LYS B 4 5.844 0.863 -3.426 1.00 0.00 C ATOM 861 NZ LYS B 4 5.187 2.195 -3.550 1.00 0.00 N ATOM 0 H LYS B 4 4.090 -1.054 -0.680 1.00 0.00 H new ATOM 0 HA LYS B 4 6.613 -2.169 0.386 1.00 0.00 H new ATOM 0 HB2 LYS B 4 7.359 -0.782 -1.871 1.00 0.00 H new ATOM 0 HB3 LYS B 4 7.195 -2.524 -1.767 1.00 0.00 H new ATOM 0 HG2 LYS B 4 6.011 -1.803 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS B 4 4.816 -2.307 -2.546 1.00 0.00 H new ATOM 0 HD2 LYS B 4 4.013 -0.255 -3.481 1.00 0.00 H new ATOM 0 HD3 LYS B 4 4.570 0.127 -1.864 1.00 0.00 H new ATOM 0 HE2 LYS B 4 6.722 0.950 -2.786 1.00 0.00 H new ATOM 0 HE3 LYS B 4 6.195 0.539 -4.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 5.519 2.666 -4.416 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.156 2.070 -3.597 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 5.428 2.779 -2.724 1.00 0.00 H new ATOM 875 N GLN B 5 7.602 0.139 0.798 1.00 0.00 N ATOM 876 CA GLN B 5 8.012 1.426 1.354 1.00 0.00 C ATOM 877 C GLN B 5 8.506 2.365 0.258 1.00 0.00 C ATOM 878 O GLN B 5 9.348 1.996 -0.561 1.00 0.00 O ATOM 879 CB GLN B 5 9.106 1.217 2.408 1.00 0.00 C ATOM 880 CG GLN B 5 9.683 2.508 2.971 1.00 0.00 C ATOM 881 CD GLN B 5 10.916 2.976 2.221 1.00 0.00 C ATOM 882 OE1 GLN B 5 10.822 3.743 1.263 1.00 0.00 O ATOM 883 NE2 GLN B 5 12.083 2.511 2.653 1.00 0.00 N ATOM 0 H GLN B 5 8.319 -0.585 0.844 1.00 0.00 H new ATOM 0 HA GLN B 5 7.144 1.887 1.826 1.00 0.00 H new ATOM 0 HB2 GLN B 5 8.697 0.627 3.228 1.00 0.00 H new ATOM 0 HB3 GLN B 5 9.914 0.633 1.967 1.00 0.00 H new ATOM 0 HG2 GLN B 5 8.922 3.288 2.933 1.00 0.00 H new ATOM 0 HG3 GLN B 5 9.936 2.360 4.021 1.00 0.00 H new ATOM 0 HE21 GLN B 5 12.115 1.877 3.451 1.00 0.00 H new ATOM 0 HE22 GLN B 5 12.947 2.788 2.186 1.00 0.00 H new ATOM 892 N THR B 6 7.975 3.586 0.253 1.00 0.00 N ATOM 893 CA THR B 6 8.354 4.587 -0.736 1.00 0.00 C ATOM 894 C THR B 6 9.062 5.766 -0.074 1.00 0.00 C ATOM 895 O THR B 6 9.019 5.919 1.146 1.00 0.00 O ATOM 896 CB THR B 6 7.126 5.108 -1.507 1.00 0.00 C ATOM 897 OG1 THR B 6 7.539 6.017 -2.533 1.00 0.00 O ATOM 898 CG2 THR B 6 6.152 5.807 -0.569 1.00 0.00 C ATOM 0 H THR B 6 7.278 3.905 0.927 1.00 0.00 H new ATOM 0 HA THR B 6 9.033 4.102 -1.437 1.00 0.00 H new ATOM 0 HB THR B 6 6.622 4.254 -1.959 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.779 6.575 -2.801 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.294 6.166 -1.137 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.815 5.105 0.194 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.649 6.651 -0.091 1.00 0.00 H new