USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 583 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 Single : A 28 ASN : amide:sc= -0.519 K(o=-0.52,f=-3.1!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.525 X(o=-0.52,f=-0.14) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -116:sc= 0.702 USER MOD Single : A 42 GLN : amide:sc= -0.0741 X(o=-0.074,f=-0.43) USER MOD Single : A 47 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.16) USER MOD Single : A 69 TYR OH : rot 30:sc= 0.336 USER MOD Single : A 72 CYS SG : rot 29:sc= -3.05! USER MOD Single : A 76 GLN : amide:sc= -0.661 X(o=-0.66,f=-1.1) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -54:sc= 0.23 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 103 N VAL A 11 -1.279 -7.801 -7.743 1.00 0.00 N ATOM 104 CA VAL A 11 -0.855 -8.733 -6.705 1.00 0.00 C ATOM 105 C VAL A 11 -0.048 -8.022 -5.624 1.00 0.00 C ATOM 106 O VAL A 11 0.384 -6.883 -5.806 1.00 0.00 O ATOM 107 CB VAL A 11 -0.007 -9.878 -7.291 1.00 0.00 C ATOM 108 CG1 VAL A 11 -0.852 -10.755 -8.203 1.00 0.00 C ATOM 109 CG2 VAL A 11 1.197 -9.323 -8.036 1.00 0.00 C ATOM 0 HA VAL A 11 -1.761 -9.149 -6.265 1.00 0.00 H new ATOM 0 HB VAL A 11 0.357 -10.494 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.236 -11.558 -8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.678 -11.182 -7.634 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.248 -10.154 -9.021 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.784 -10.146 -8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.858 -8.682 -8.850 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.813 -8.742 -7.350 1.00 0.00 H new ATOM 119 N GLY A 12 0.152 -8.701 -4.499 1.00 0.00 N ATOM 120 CA GLY A 12 0.906 -8.118 -3.405 1.00 0.00 C ATOM 121 C GLY A 12 2.280 -8.740 -3.252 1.00 0.00 C ATOM 122 O GLY A 12 2.659 -9.623 -4.022 1.00 0.00 O ATOM 0 H GLY A 12 -0.195 -9.644 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.012 -7.046 -3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.349 -8.243 -2.477 1.00 0.00 H new ATOM 126 N ASP A 13 3.029 -8.279 -2.255 1.00 0.00 N ATOM 127 CA ASP A 13 4.370 -8.796 -2.003 1.00 0.00 C ATOM 128 C ASP A 13 4.438 -9.490 -0.647 1.00 0.00 C ATOM 129 O ASP A 13 3.741 -9.110 0.293 1.00 0.00 O ATOM 130 CB ASP A 13 5.395 -7.662 -2.062 1.00 0.00 C ATOM 131 CG ASP A 13 6.059 -7.552 -3.420 1.00 0.00 C ATOM 132 OD1 ASP A 13 6.445 -8.601 -3.979 1.00 0.00 O ATOM 133 OD2 ASP A 13 6.194 -6.418 -3.926 1.00 0.00 O ATOM 0 H ASP A 13 2.730 -7.549 -1.609 1.00 0.00 H new ATOM 0 HA ASP A 13 4.603 -9.527 -2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.903 -6.719 -1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.157 -7.825 -1.300 1.00 0.00 H new ATOM 138 N ASP A 14 5.284 -10.511 -0.554 1.00 0.00 N ATOM 139 CA ASP A 14 5.445 -11.259 0.689 1.00 0.00 C ATOM 140 C ASP A 14 6.675 -10.783 1.455 1.00 0.00 C ATOM 141 O ASP A 14 7.349 -11.571 2.117 1.00 0.00 O ATOM 142 CB ASP A 14 5.559 -12.756 0.395 1.00 0.00 C ATOM 143 CG ASP A 14 4.849 -13.604 1.433 1.00 0.00 C ATOM 144 OD1 ASP A 14 3.760 -13.196 1.889 1.00 0.00 O ATOM 145 OD2 ASP A 14 5.383 -14.675 1.791 1.00 0.00 O ATOM 0 H ASP A 14 5.868 -10.839 -1.323 1.00 0.00 H new ATOM 0 HA ASP A 14 4.565 -11.083 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.139 -12.963 -0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.611 -13.037 0.358 1.00 0.00 H new ATOM 150 N PHE A 15 6.961 -9.488 1.358 1.00 0.00 N ATOM 151 CA PHE A 15 8.110 -8.906 2.042 1.00 0.00 C ATOM 152 C PHE A 15 7.681 -8.204 3.326 1.00 0.00 C ATOM 153 O PHE A 15 8.209 -8.481 4.403 1.00 0.00 O ATOM 154 CB PHE A 15 8.829 -7.918 1.122 1.00 0.00 C ATOM 155 CG PHE A 15 10.036 -7.280 1.750 1.00 0.00 C ATOM 156 CD1 PHE A 15 9.901 -6.164 2.560 1.00 0.00 C ATOM 157 CD2 PHE A 15 11.303 -7.795 1.528 1.00 0.00 C ATOM 158 CE1 PHE A 15 11.008 -5.574 3.139 1.00 0.00 C ATOM 159 CE2 PHE A 15 12.414 -7.209 2.105 1.00 0.00 C ATOM 160 CZ PHE A 15 12.266 -6.097 2.912 1.00 0.00 C ATOM 0 H PHE A 15 6.413 -8.823 0.813 1.00 0.00 H new ATOM 0 HA PHE A 15 8.794 -9.713 2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.134 -8.437 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.129 -7.137 0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.920 -5.751 2.741 1.00 0.00 H new ATOM 0 HD2 PHE A 15 11.424 -8.663 0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 15 10.890 -4.705 3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.397 -7.620 1.925 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.132 -5.638 3.364 1.00 0.00 H new ATOM 170 N LEU A 16 6.720 -7.295 3.204 1.00 0.00 N ATOM 171 CA LEU A 16 6.218 -6.551 4.355 1.00 0.00 C ATOM 172 C LEU A 16 7.322 -5.699 4.973 1.00 0.00 C ATOM 173 O LEU A 16 8.164 -6.200 5.719 1.00 0.00 O ATOM 174 CB LEU A 16 5.647 -7.513 5.402 1.00 0.00 C ATOM 175 CG LEU A 16 4.203 -7.232 5.819 1.00 0.00 C ATOM 176 CD1 LEU A 16 3.711 -8.295 6.789 1.00 0.00 C ATOM 177 CD2 LEU A 16 4.089 -5.847 6.439 1.00 0.00 C ATOM 0 H LEU A 16 6.272 -7.055 2.319 1.00 0.00 H new ATOM 0 HA LEU A 16 5.423 -5.889 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.705 -8.528 5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.279 -7.477 6.289 1.00 0.00 H new ATOM 0 HG LEU A 16 3.574 -7.264 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.682 -8.078 7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.757 -9.273 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.342 -8.296 7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.055 -5.663 6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.730 -5.788 7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.401 -5.096 5.713 1.00 0.00 H new ATOM 189 N GLY A 17 7.313 -4.408 4.658 1.00 0.00 N ATOM 190 CA GLY A 17 8.317 -3.507 5.191 1.00 0.00 C ATOM 191 C GLY A 17 8.151 -3.264 6.678 1.00 0.00 C ATOM 192 O GLY A 17 7.263 -3.835 7.311 1.00 0.00 O ATOM 0 H GLY A 17 6.628 -3.970 4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.308 -3.920 5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.263 -2.555 4.663 1.00 0.00 H new ATOM 196 N ASP A 18 9.008 -2.416 7.237 1.00 0.00 N ATOM 197 CA ASP A 18 8.953 -2.099 8.658 1.00 0.00 C ATOM 198 C ASP A 18 8.236 -0.773 8.894 1.00 0.00 C ATOM 199 O ASP A 18 8.541 -0.050 9.841 1.00 0.00 O ATOM 200 CB ASP A 18 10.365 -2.038 9.244 1.00 0.00 C ATOM 201 CG ASP A 18 10.826 -3.379 9.781 1.00 0.00 C ATOM 202 OD1 ASP A 18 11.197 -4.250 8.965 1.00 0.00 O ATOM 203 OD2 ASP A 18 10.818 -3.560 11.017 1.00 0.00 O ATOM 0 H ASP A 18 9.749 -1.936 6.726 1.00 0.00 H new ATOM 0 HA ASP A 18 8.392 -2.889 9.158 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.060 -1.699 8.476 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.391 -1.300 10.046 1.00 0.00 H new ATOM 208 N PHE A 19 7.281 -0.460 8.023 1.00 0.00 N ATOM 209 CA PHE A 19 6.521 0.779 8.135 1.00 0.00 C ATOM 210 C PHE A 19 5.466 0.672 9.230 1.00 0.00 C ATOM 211 O PHE A 19 4.987 -0.419 9.542 1.00 0.00 O ATOM 212 CB PHE A 19 5.856 1.115 6.799 1.00 0.00 C ATOM 213 CG PHE A 19 6.819 1.176 5.649 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.178 0.024 4.967 1.00 0.00 C ATOM 215 CD2 PHE A 19 7.366 2.385 5.250 1.00 0.00 C ATOM 216 CE1 PHE A 19 8.064 0.077 3.909 1.00 0.00 C ATOM 217 CE2 PHE A 19 8.253 2.444 4.191 1.00 0.00 C ATOM 218 CZ PHE A 19 8.602 1.288 3.519 1.00 0.00 C ATOM 0 H PHE A 19 7.016 -1.048 7.233 1.00 0.00 H new ATOM 0 HA PHE A 19 7.212 1.579 8.400 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.093 0.367 6.584 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.346 2.075 6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.760 -0.926 5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.097 3.291 5.772 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.336 -0.828 3.387 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.673 3.392 3.889 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.294 1.331 2.691 1.00 0.00 H new ATOM 228 N VAL A 20 5.107 1.812 9.812 1.00 0.00 N ATOM 229 CA VAL A 20 4.107 1.848 10.873 1.00 0.00 C ATOM 230 C VAL A 20 2.875 2.637 10.442 1.00 0.00 C ATOM 231 O VAL A 20 2.852 3.229 9.364 1.00 0.00 O ATOM 232 CB VAL A 20 4.676 2.472 12.160 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.781 1.597 12.736 1.00 0.00 C ATOM 234 CG2 VAL A 20 5.186 3.880 11.892 1.00 0.00 C ATOM 0 H VAL A 20 5.494 2.723 9.567 1.00 0.00 H new ATOM 0 HA VAL A 20 3.822 0.815 11.073 1.00 0.00 H new ATOM 0 HB VAL A 20 3.874 2.535 12.895 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.171 2.055 13.645 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.380 0.611 12.969 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.585 1.498 12.006 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.584 4.304 12.814 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.973 3.845 11.139 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.366 4.501 11.531 1.00 0.00 H new ATOM 244 N VAL A 21 1.854 2.639 11.292 1.00 0.00 N ATOM 245 CA VAL A 21 0.619 3.355 10.999 1.00 0.00 C ATOM 246 C VAL A 21 0.702 4.806 11.458 1.00 0.00 C ATOM 247 O VAL A 21 1.154 5.091 12.568 1.00 0.00 O ATOM 248 CB VAL A 21 -0.593 2.684 11.674 1.00 0.00 C ATOM 249 CG1 VAL A 21 -1.890 3.321 11.199 1.00 0.00 C ATOM 250 CG2 VAL A 21 -0.594 1.187 11.401 1.00 0.00 C ATOM 0 H VAL A 21 1.858 2.153 12.189 1.00 0.00 H new ATOM 0 HA VAL A 21 0.486 3.326 9.918 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.516 2.834 12.751 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.734 2.834 11.687 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.888 4.382 11.451 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.978 3.205 10.119 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.457 0.729 11.885 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.647 1.013 10.326 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.321 0.745 11.796 1.00 0.00 H new ATOM 260 N GLY A 22 0.263 5.720 10.599 1.00 0.00 N ATOM 261 CA GLY A 22 0.297 7.131 10.935 1.00 0.00 C ATOM 262 C GLY A 22 1.400 7.877 10.209 1.00 0.00 C ATOM 263 O GLY A 22 1.291 9.078 9.968 1.00 0.00 O ATOM 0 H GLY A 22 -0.116 5.508 9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.664 7.582 10.690 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.436 7.241 12.010 1.00 0.00 H new ATOM 267 N GLU A 23 2.464 7.162 9.859 1.00 0.00 N ATOM 268 CA GLU A 23 3.591 7.763 9.156 1.00 0.00 C ATOM 269 C GLU A 23 3.245 8.024 7.694 1.00 0.00 C ATOM 270 O GLU A 23 2.188 7.614 7.213 1.00 0.00 O ATOM 271 CB GLU A 23 4.819 6.855 9.246 1.00 0.00 C ATOM 272 CG GLU A 23 4.554 5.428 8.796 1.00 0.00 C ATOM 273 CD GLU A 23 5.688 4.859 7.966 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.848 4.919 8.423 1.00 0.00 O ATOM 275 OE2 GLU A 23 5.415 4.352 6.857 1.00 0.00 O ATOM 0 H GLU A 23 2.569 6.166 10.051 1.00 0.00 H new ATOM 0 HA GLU A 23 3.816 8.717 9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.618 7.277 8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.176 6.842 10.276 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.398 4.798 9.672 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.633 5.399 8.214 1.00 0.00 H new ATOM 282 N ARG A 24 4.142 8.708 6.992 1.00 0.00 N ATOM 283 CA ARG A 24 3.933 9.024 5.584 1.00 0.00 C ATOM 284 C ARG A 24 4.913 8.254 4.702 1.00 0.00 C ATOM 285 O ARG A 24 6.092 8.127 5.033 1.00 0.00 O ATOM 286 CB ARG A 24 4.088 10.529 5.349 1.00 0.00 C ATOM 287 CG ARG A 24 2.764 11.257 5.182 1.00 0.00 C ATOM 288 CD ARG A 24 2.035 11.399 6.508 1.00 0.00 C ATOM 289 NE ARG A 24 1.133 12.548 6.517 1.00 0.00 N ATOM 290 CZ ARG A 24 1.544 13.813 6.477 1.00 0.00 C ATOM 291 NH1 ARG A 24 2.840 14.095 6.424 1.00 0.00 N ATOM 292 NH2 ARG A 24 0.657 14.799 6.488 1.00 0.00 N ATOM 0 H ARG A 24 5.021 9.054 7.376 1.00 0.00 H new ATOM 0 HA ARG A 24 2.920 8.725 5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.630 10.966 6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.696 10.689 4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.942 12.244 4.756 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.135 10.714 4.476 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.467 10.491 6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.763 11.503 7.312 1.00 0.00 H new ATOM 0 HE ARG A 24 0.129 12.370 6.556 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.526 13.340 6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.150 15.066 6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.340 14.588 6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.972 15.769 6.457 1.00 0.00 H new ATOM 306 N VAL A 25 4.417 7.744 3.580 1.00 0.00 N ATOM 307 CA VAL A 25 5.248 6.988 2.652 1.00 0.00 C ATOM 308 C VAL A 25 4.972 7.396 1.210 1.00 0.00 C ATOM 309 O VAL A 25 3.826 7.637 0.831 1.00 0.00 O ATOM 310 CB VAL A 25 5.017 5.472 2.797 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.472 4.991 4.166 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.554 5.129 2.563 1.00 0.00 C ATOM 0 H VAL A 25 3.443 7.841 3.292 1.00 0.00 H new ATOM 0 HA VAL A 25 6.285 7.215 2.900 1.00 0.00 H new ATOM 0 HB VAL A 25 5.612 4.959 2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.301 3.918 4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.535 5.200 4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.907 5.510 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.411 4.054 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.936 5.652 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.265 5.436 1.558 1.00 0.00 H new ATOM 322 N TRP A 26 6.030 7.472 0.409 1.00 0.00 N ATOM 323 CA TRP A 26 5.902 7.852 -0.993 1.00 0.00 C ATOM 324 C TRP A 26 5.637 6.630 -1.866 1.00 0.00 C ATOM 325 O TRP A 26 6.506 5.774 -2.034 1.00 0.00 O ATOM 326 CB TRP A 26 7.168 8.568 -1.467 1.00 0.00 C ATOM 327 CG TRP A 26 7.189 10.026 -1.125 1.00 0.00 C ATOM 328 CD1 TRP A 26 7.105 11.073 -1.996 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.304 10.598 0.183 1.00 0.00 C ATOM 330 NE1 TRP A 26 7.159 12.262 -1.310 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.282 11.998 0.029 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.424 10.063 1.469 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.375 12.867 1.112 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.515 10.929 2.544 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.490 12.317 2.360 1.00 0.00 C ATOM 0 H TRP A 26 6.985 7.275 0.707 1.00 0.00 H new ATOM 0 HA TRP A 26 5.054 8.531 -1.083 1.00 0.00 H new ATOM 0 HB2 TRP A 26 8.038 8.085 -1.022 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.258 8.454 -2.547 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.010 10.980 -3.068 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.115 13.191 -1.729 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.445 8.994 1.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.357 13.938 0.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.607 10.528 3.542 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.563 12.966 3.220 1.00 0.00 H new ATOM 346 N VAL A 27 4.431 6.555 -2.419 1.00 0.00 N ATOM 347 CA VAL A 27 4.051 5.437 -3.276 1.00 0.00 C ATOM 348 C VAL A 27 4.619 5.604 -4.680 1.00 0.00 C ATOM 349 O VAL A 27 4.287 6.555 -5.386 1.00 0.00 O ATOM 350 CB VAL A 27 2.519 5.293 -3.366 1.00 0.00 C ATOM 351 CG1 VAL A 27 2.143 4.027 -4.121 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.896 5.297 -1.978 1.00 0.00 C ATOM 0 H VAL A 27 3.700 7.255 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 27 4.466 4.536 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 27 2.127 6.148 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.057 3.944 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.553 4.070 -5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.549 3.159 -3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.814 5.194 -2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.294 4.465 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.132 6.235 -1.476 1.00 0.00 H new ATOM 362 N ASN A 28 5.478 4.672 -5.080 1.00 0.00 N ATOM 363 CA ASN A 28 6.094 4.715 -6.402 1.00 0.00 C ATOM 364 C ASN A 28 6.896 5.999 -6.589 1.00 0.00 C ATOM 365 O ASN A 28 7.061 6.481 -7.710 1.00 0.00 O ATOM 366 CB ASN A 28 5.023 4.607 -7.489 1.00 0.00 C ATOM 367 CG ASN A 28 4.130 3.396 -7.301 1.00 0.00 C ATOM 368 OD1 ASN A 28 4.308 2.617 -6.366 1.00 0.00 O ATOM 369 ND2 ASN A 28 3.160 3.232 -8.194 1.00 0.00 N ATOM 0 H ASN A 28 5.764 3.877 -4.508 1.00 0.00 H new ATOM 0 HA ASN A 28 6.775 3.868 -6.485 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.412 5.510 -7.485 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.504 4.552 -8.465 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.527 2.435 -8.119 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.048 3.903 -8.954 1.00 0.00 H new ATOM 376 N GLY A 29 7.395 6.548 -5.485 1.00 0.00 N ATOM 377 CA GLY A 29 8.175 7.771 -5.552 1.00 0.00 C ATOM 378 C GLY A 29 7.417 8.910 -6.206 1.00 0.00 C ATOM 379 O GLY A 29 8.016 9.781 -6.837 1.00 0.00 O ATOM 0 H GLY A 29 7.273 6.168 -4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.469 8.066 -4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.093 7.583 -6.109 1.00 0.00 H new ATOM 383 N VAL A 30 6.097 8.903 -6.056 1.00 0.00 N ATOM 384 CA VAL A 30 5.257 9.942 -6.638 1.00 0.00 C ATOM 385 C VAL A 30 4.821 10.953 -5.582 1.00 0.00 C ATOM 386 O VAL A 30 5.221 12.117 -5.622 1.00 0.00 O ATOM 387 CB VAL A 30 4.004 9.344 -7.306 1.00 0.00 C ATOM 388 CG1 VAL A 30 3.246 10.415 -8.075 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.387 8.190 -8.221 1.00 0.00 C ATOM 0 H VAL A 30 5.586 8.189 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 30 5.858 10.446 -7.395 1.00 0.00 H new ATOM 0 HB VAL A 30 3.348 8.957 -6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.364 9.974 -8.540 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.938 11.205 -7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.892 10.834 -8.847 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.490 7.780 -8.684 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.064 8.549 -8.996 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.882 7.413 -7.639 1.00 0.00 H new ATOM 399 N LYS A 31 4.001 10.501 -4.639 1.00 0.00 N ATOM 400 CA LYS A 31 3.511 11.366 -3.574 1.00 0.00 C ATOM 401 C LYS A 31 3.384 10.596 -2.261 1.00 0.00 C ATOM 402 O LYS A 31 3.157 9.386 -2.262 1.00 0.00 O ATOM 403 CB LYS A 31 2.158 11.968 -3.958 1.00 0.00 C ATOM 404 CG LYS A 31 2.267 13.159 -4.897 1.00 0.00 C ATOM 405 CD LYS A 31 1.136 13.173 -5.913 1.00 0.00 C ATOM 406 CE LYS A 31 0.964 14.550 -6.534 1.00 0.00 C ATOM 407 NZ LYS A 31 -0.402 14.739 -7.095 1.00 0.00 N ATOM 0 H LYS A 31 3.662 9.540 -4.591 1.00 0.00 H new ATOM 0 HA LYS A 31 4.232 12.171 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.548 11.198 -4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.637 12.277 -3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.249 14.083 -4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.224 13.127 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.339 12.442 -6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.207 12.872 -5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.156 15.314 -5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.703 14.687 -7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.479 15.690 -7.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.577 14.026 -7.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.106 14.634 -6.337 1.00 0.00 H new ATOM 421 N PRO A 32 3.532 11.291 -1.120 1.00 0.00 N ATOM 422 CA PRO A 32 3.433 10.665 0.202 1.00 0.00 C ATOM 423 C PRO A 32 2.004 10.262 0.548 1.00 0.00 C ATOM 424 O PRO A 32 1.045 10.810 0.004 1.00 0.00 O ATOM 425 CB PRO A 32 3.923 11.761 1.151 1.00 0.00 C ATOM 426 CG PRO A 32 3.634 13.035 0.435 1.00 0.00 C ATOM 427 CD PRO A 32 3.806 12.737 -1.029 1.00 0.00 C ATOM 0 HA PRO A 32 4.010 9.742 0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.404 11.718 2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.988 11.657 1.361 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.622 13.380 0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.314 13.825 0.755 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.114 13.316 -1.641 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.812 12.977 -1.372 1.00 0.00 H new ATOM 435 N GLY A 33 1.869 9.302 1.456 1.00 0.00 N ATOM 436 CA GLY A 33 0.552 8.841 1.859 1.00 0.00 C ATOM 437 C GLY A 33 0.521 8.361 3.296 1.00 0.00 C ATOM 438 O GLY A 33 1.455 7.705 3.759 1.00 0.00 O ATOM 0 H GLY A 33 2.647 8.834 1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.167 9.651 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.237 8.031 1.202 1.00 0.00 H new ATOM 442 N VAL A 34 -0.554 8.688 4.005 1.00 0.00 N ATOM 443 CA VAL A 34 -0.703 8.286 5.399 1.00 0.00 C ATOM 444 C VAL A 34 -1.056 6.806 5.509 1.00 0.00 C ATOM 445 O VAL A 34 -2.124 6.379 5.075 1.00 0.00 O ATOM 446 CB VAL A 34 -1.788 9.114 6.112 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.783 8.830 7.606 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.590 10.598 5.841 1.00 0.00 C ATOM 0 H VAL A 34 -1.335 9.231 3.637 1.00 0.00 H new ATOM 0 HA VAL A 34 0.257 8.467 5.883 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.761 8.823 5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.557 9.425 8.092 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.979 7.771 7.776 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.810 9.090 8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.366 11.168 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.611 10.907 6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.651 10.783 4.769 1.00 0.00 H new ATOM 458 N VAL A 35 -0.149 6.029 6.094 1.00 0.00 N ATOM 459 CA VAL A 35 -0.365 4.597 6.262 1.00 0.00 C ATOM 460 C VAL A 35 -1.411 4.323 7.337 1.00 0.00 C ATOM 461 O VAL A 35 -1.256 4.736 8.487 1.00 0.00 O ATOM 462 CB VAL A 35 0.942 3.870 6.634 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.732 2.364 6.648 1.00 0.00 C ATOM 464 CG2 VAL A 35 2.058 4.250 5.673 1.00 0.00 C ATOM 0 H VAL A 35 0.741 6.367 6.459 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.722 4.216 5.305 1.00 0.00 H new ATOM 0 HB VAL A 35 1.235 4.182 7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.666 1.869 6.913 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.034 2.110 7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.413 2.032 5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.972 3.727 5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.775 3.970 4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.227 5.326 5.719 1.00 0.00 H new ATOM 474 N GLN A 36 -2.474 3.623 6.957 1.00 0.00 N ATOM 475 CA GLN A 36 -3.547 3.293 7.890 1.00 0.00 C ATOM 476 C GLN A 36 -3.593 1.792 8.157 1.00 0.00 C ATOM 477 O GLN A 36 -3.628 1.357 9.308 1.00 0.00 O ATOM 478 CB GLN A 36 -4.893 3.766 7.340 1.00 0.00 C ATOM 479 CG GLN A 36 -5.199 5.223 7.649 1.00 0.00 C ATOM 480 CD GLN A 36 -5.455 5.463 9.124 1.00 0.00 C ATOM 481 OE1 GLN A 36 -6.585 5.344 9.596 1.00 0.00 O ATOM 482 NE2 GLN A 36 -4.403 5.806 9.859 1.00 0.00 N ATOM 0 H GLN A 36 -2.617 3.273 6.010 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.347 3.805 8.831 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.905 3.622 6.260 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.685 3.142 7.754 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.364 5.843 7.323 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.072 5.537 7.076 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.484 5.893 9.425 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.514 5.983 10.857 1.00 0.00 H new ATOM 491 N TYR A 37 -3.592 1.004 7.086 1.00 0.00 N ATOM 492 CA TYR A 37 -3.635 -0.448 7.205 1.00 0.00 C ATOM 493 C TYR A 37 -2.277 -1.062 6.880 1.00 0.00 C ATOM 494 O TYR A 37 -1.519 -0.524 6.072 1.00 0.00 O ATOM 495 CB TYR A 37 -4.703 -1.026 6.275 1.00 0.00 C ATOM 496 CG TYR A 37 -5.259 -2.353 6.742 1.00 0.00 C ATOM 497 CD1 TYR A 37 -6.357 -2.408 7.590 1.00 0.00 C ATOM 498 CD2 TYR A 37 -4.685 -3.550 6.332 1.00 0.00 C ATOM 499 CE1 TYR A 37 -6.868 -3.619 8.018 1.00 0.00 C ATOM 500 CE2 TYR A 37 -5.190 -4.765 6.756 1.00 0.00 C ATOM 501 CZ TYR A 37 -6.281 -4.794 7.599 1.00 0.00 C ATOM 502 OH TYR A 37 -6.787 -6.001 8.022 1.00 0.00 O ATOM 0 H TYR A 37 -3.562 1.348 6.126 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.888 -0.695 8.236 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.520 -0.311 6.185 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.277 -1.150 5.279 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.819 -1.490 7.921 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.831 -3.531 5.672 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.723 -3.645 8.677 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -4.732 -5.687 6.429 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.260 -6.731 7.635 1.00 0.00 H new ATOM 512 N LEU A 38 -1.975 -2.190 7.514 1.00 0.00 N ATOM 513 CA LEU A 38 -0.708 -2.877 7.292 1.00 0.00 C ATOM 514 C LEU A 38 -0.851 -4.375 7.543 1.00 0.00 C ATOM 515 O LEU A 38 -0.833 -4.826 8.689 1.00 0.00 O ATOM 516 CB LEU A 38 0.377 -2.296 8.200 1.00 0.00 C ATOM 517 CG LEU A 38 1.066 -1.041 7.663 1.00 0.00 C ATOM 518 CD1 LEU A 38 1.910 -0.390 8.748 1.00 0.00 C ATOM 519 CD2 LEU A 38 1.921 -1.379 6.451 1.00 0.00 C ATOM 0 H LEU A 38 -2.591 -2.648 8.186 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.419 -2.727 6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.067 -2.062 9.168 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.133 -3.062 8.373 1.00 0.00 H new ATOM 0 HG LEU A 38 0.298 -0.332 7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.393 0.502 8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.272 -0.112 9.587 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.671 -1.093 9.088 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.404 -0.474 6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.682 -2.106 6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.291 -1.799 5.667 1.00 0.00 H new ATOM 531 N GLY A 39 -0.991 -5.141 6.467 1.00 0.00 N ATOM 532 CA GLY A 39 -1.135 -6.579 6.593 1.00 0.00 C ATOM 533 C GLY A 39 -1.675 -7.222 5.331 1.00 0.00 C ATOM 534 O GLY A 39 -1.485 -6.702 4.232 1.00 0.00 O ATOM 0 H GLY A 39 -1.007 -4.791 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.167 -7.018 6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.803 -6.802 7.425 1.00 0.00 H new ATOM 538 N GLU A 40 -2.351 -8.355 5.488 1.00 0.00 N ATOM 539 CA GLU A 40 -2.921 -9.070 4.353 1.00 0.00 C ATOM 540 C GLU A 40 -4.250 -8.452 3.932 1.00 0.00 C ATOM 541 O GLU A 40 -4.889 -7.740 4.706 1.00 0.00 O ATOM 542 CB GLU A 40 -3.120 -10.546 4.700 1.00 0.00 C ATOM 543 CG GLU A 40 -1.821 -11.290 4.961 1.00 0.00 C ATOM 544 CD GLU A 40 -1.910 -12.218 6.157 1.00 0.00 C ATOM 545 OE1 GLU A 40 -1.682 -11.748 7.291 1.00 0.00 O ATOM 546 OE2 GLU A 40 -2.206 -13.415 5.959 1.00 0.00 O ATOM 0 H GLU A 40 -2.517 -8.798 6.392 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.223 -8.991 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.755 -10.621 5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.651 -11.034 3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.554 -11.868 4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.020 -10.569 5.124 1.00 0.00 H new ATOM 553 N THR A 41 -4.662 -8.729 2.698 1.00 0.00 N ATOM 554 CA THR A 41 -5.916 -8.200 2.173 1.00 0.00 C ATOM 555 C THR A 41 -6.897 -9.327 1.871 1.00 0.00 C ATOM 556 O THR A 41 -6.602 -10.500 2.104 1.00 0.00 O ATOM 557 CB THR A 41 -5.657 -7.382 0.906 1.00 0.00 C ATOM 558 OG1 THR A 41 -4.751 -8.055 0.051 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.089 -6.008 1.187 1.00 0.00 C ATOM 0 H THR A 41 -4.146 -9.317 2.044 1.00 0.00 H new ATOM 0 HA THR A 41 -6.355 -7.553 2.932 1.00 0.00 H new ATOM 0 HB THR A 41 -6.632 -7.265 0.434 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.931 -7.526 -0.038 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.929 -5.481 0.246 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.789 -5.444 1.804 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.140 -6.107 1.713 1.00 0.00 H new ATOM 567 N GLN A 42 -8.066 -8.966 1.353 1.00 0.00 N ATOM 568 CA GLN A 42 -9.092 -9.947 1.021 1.00 0.00 C ATOM 569 C GLN A 42 -9.271 -10.061 -0.490 1.00 0.00 C ATOM 570 O GLN A 42 -9.618 -11.124 -1.004 1.00 0.00 O ATOM 571 CB GLN A 42 -10.421 -9.566 1.675 1.00 0.00 C ATOM 572 CG GLN A 42 -10.578 -10.100 3.090 1.00 0.00 C ATOM 573 CD GLN A 42 -11.461 -11.332 3.153 1.00 0.00 C ATOM 574 OE1 GLN A 42 -12.520 -11.383 2.530 1.00 0.00 O ATOM 575 NE2 GLN A 42 -11.026 -12.332 3.911 1.00 0.00 N ATOM 0 H GLN A 42 -8.327 -8.000 1.154 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.769 -10.915 1.404 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.509 -8.480 1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.239 -9.942 1.061 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.595 -10.341 3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.002 -9.321 3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.141 -12.246 4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.577 -13.186 3.994 1.00 0.00 H new ATOM 584 N PHE A 43 -9.031 -8.961 -1.196 1.00 0.00 N ATOM 585 CA PHE A 43 -9.166 -8.941 -2.647 1.00 0.00 C ATOM 586 C PHE A 43 -8.083 -9.786 -3.309 1.00 0.00 C ATOM 587 O PHE A 43 -8.354 -10.542 -4.243 1.00 0.00 O ATOM 588 CB PHE A 43 -9.101 -7.502 -3.168 1.00 0.00 C ATOM 589 CG PHE A 43 -7.750 -6.862 -3.011 1.00 0.00 C ATOM 590 CD1 PHE A 43 -6.766 -7.052 -3.967 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.466 -6.072 -1.909 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.522 -6.465 -3.826 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.225 -5.482 -1.763 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.251 -5.679 -2.724 1.00 0.00 C ATOM 0 H PHE A 43 -8.742 -8.072 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.136 -9.368 -2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.376 -7.494 -4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.841 -6.900 -2.641 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.973 -7.665 -4.832 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.223 -5.915 -1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.763 -6.621 -4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.016 -4.868 -0.899 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.280 -5.219 -2.613 1.00 0.00 H new ATOM 604 N ALA A 44 -6.855 -9.656 -2.817 1.00 0.00 N ATOM 605 CA ALA A 44 -5.730 -10.408 -3.360 1.00 0.00 C ATOM 606 C ALA A 44 -4.841 -10.951 -2.245 1.00 0.00 C ATOM 607 O ALA A 44 -4.788 -10.385 -1.152 1.00 0.00 O ATOM 608 CB ALA A 44 -4.920 -9.535 -4.306 1.00 0.00 C ATOM 0 H ALA A 44 -6.614 -9.037 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.127 -11.257 -3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.083 -10.109 -4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.555 -9.202 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.541 -8.668 -3.766 1.00 0.00 H new ATOM 614 N PRO A 45 -4.129 -12.060 -2.506 1.00 0.00 N ATOM 615 CA PRO A 45 -3.240 -12.678 -1.517 1.00 0.00 C ATOM 616 C PRO A 45 -1.985 -11.848 -1.267 1.00 0.00 C ATOM 617 O PRO A 45 -1.899 -10.693 -1.685 1.00 0.00 O ATOM 618 CB PRO A 45 -2.875 -14.018 -2.158 1.00 0.00 C ATOM 619 CG PRO A 45 -3.011 -13.786 -3.622 1.00 0.00 C ATOM 620 CD PRO A 45 -4.134 -12.798 -3.784 1.00 0.00 C ATOM 0 HA PRO A 45 -3.718 -12.772 -0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.860 -14.318 -1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.540 -14.813 -1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.084 -13.396 -4.043 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.232 -14.716 -4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.966 -12.134 -4.632 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.087 -13.298 -3.955 1.00 0.00 H new ATOM 628 N GLY A 46 -1.013 -12.444 -0.584 1.00 0.00 N ATOM 629 CA GLY A 46 0.224 -11.746 -0.291 1.00 0.00 C ATOM 630 C GLY A 46 0.028 -10.602 0.685 1.00 0.00 C ATOM 631 O GLY A 46 -1.099 -10.172 0.930 1.00 0.00 O ATOM 0 H GLY A 46 -1.061 -13.399 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.946 -12.451 0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.648 -11.360 -1.218 1.00 0.00 H new ATOM 635 N GLN A 47 1.129 -10.108 1.244 1.00 0.00 N ATOM 636 CA GLN A 47 1.074 -9.008 2.199 1.00 0.00 C ATOM 637 C GLN A 47 0.816 -7.684 1.488 1.00 0.00 C ATOM 638 O GLN A 47 1.367 -7.424 0.419 1.00 0.00 O ATOM 639 CB GLN A 47 2.378 -8.929 2.994 1.00 0.00 C ATOM 640 CG GLN A 47 2.872 -10.277 3.492 1.00 0.00 C ATOM 641 CD GLN A 47 1.861 -10.974 4.381 1.00 0.00 C ATOM 642 OE1 GLN A 47 1.488 -12.122 4.135 1.00 0.00 O ATOM 643 NE2 GLN A 47 1.411 -10.283 5.421 1.00 0.00 N ATOM 0 H GLN A 47 2.070 -10.453 1.052 1.00 0.00 H new ATOM 0 HA GLN A 47 0.250 -9.197 2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.148 -8.478 2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.233 -8.267 3.848 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.100 -10.915 2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.802 -10.138 4.044 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.747 -9.334 5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.729 -10.701 6.054 1.00 0.00 H new ATOM 652 N TRP A 48 -0.028 -6.851 2.089 1.00 0.00 N ATOM 653 CA TRP A 48 -0.361 -5.553 1.512 1.00 0.00 C ATOM 654 C TRP A 48 -0.166 -4.438 2.534 1.00 0.00 C ATOM 655 O TRP A 48 0.204 -4.690 3.680 1.00 0.00 O ATOM 656 CB TRP A 48 -1.804 -5.552 1.007 1.00 0.00 C ATOM 657 CG TRP A 48 -1.962 -6.178 -0.344 1.00 0.00 C ATOM 658 CD1 TRP A 48 -2.150 -7.501 -0.614 1.00 0.00 C ATOM 659 CD2 TRP A 48 -1.944 -5.507 -1.609 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.250 -7.697 -1.971 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.127 -6.486 -2.603 1.00 0.00 C ATOM 662 CE3 TRP A 48 -1.791 -4.172 -1.998 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.162 -6.174 -3.960 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -1.827 -3.865 -3.345 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.011 -4.861 -4.311 1.00 0.00 C ATOM 0 H TRP A 48 -0.493 -7.051 2.974 1.00 0.00 H new ATOM 0 HA TRP A 48 0.310 -5.373 0.672 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.431 -6.085 1.722 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.167 -4.525 0.968 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.211 -8.282 0.130 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.392 -8.596 -2.432 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.648 -3.396 -1.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.303 -6.941 -4.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.711 -2.838 -3.658 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.034 -4.587 -5.355 1.00 0.00 H new ATOM 676 N ALA A 49 -0.418 -3.203 2.110 1.00 0.00 N ATOM 677 CA ALA A 49 -0.271 -2.050 2.989 1.00 0.00 C ATOM 678 C ALA A 49 -1.129 -0.883 2.511 1.00 0.00 C ATOM 679 O ALA A 49 -0.822 -0.245 1.505 1.00 0.00 O ATOM 680 CB ALA A 49 1.190 -1.633 3.071 1.00 0.00 C ATOM 0 H ALA A 49 -0.725 -2.976 1.164 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.613 -2.336 3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.286 -0.771 3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.783 -2.459 3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.550 -1.370 2.076 1.00 0.00 H new ATOM 686 N GLY A 50 -2.206 -0.610 3.240 1.00 0.00 N ATOM 687 CA GLY A 50 -3.092 0.479 2.875 1.00 0.00 C ATOM 688 C GLY A 50 -2.502 1.839 3.193 1.00 0.00 C ATOM 689 O GLY A 50 -1.931 2.039 4.265 1.00 0.00 O ATOM 0 H GLY A 50 -2.481 -1.124 4.077 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.312 0.422 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.039 0.365 3.403 1.00 0.00 H new ATOM 693 N VAL A 51 -2.638 2.774 2.258 1.00 0.00 N ATOM 694 CA VAL A 51 -2.113 4.121 2.444 1.00 0.00 C ATOM 695 C VAL A 51 -3.121 5.172 1.993 1.00 0.00 C ATOM 696 O VAL A 51 -3.882 4.951 1.050 1.00 0.00 O ATOM 697 CB VAL A 51 -0.797 4.324 1.671 1.00 0.00 C ATOM 698 CG1 VAL A 51 -0.161 5.656 2.037 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.162 3.174 1.939 1.00 0.00 C ATOM 0 H VAL A 51 -3.107 2.623 1.365 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.921 4.240 3.510 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.022 4.338 0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.768 5.781 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.845 6.467 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.051 5.676 3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.087 3.334 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.382 3.125 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.295 2.237 1.619 1.00 0.00 H new ATOM 709 N VAL A 52 -3.122 6.315 2.670 1.00 0.00 N ATOM 710 CA VAL A 52 -4.037 7.400 2.338 1.00 0.00 C ATOM 711 C VAL A 52 -3.292 8.574 1.711 1.00 0.00 C ATOM 712 O VAL A 52 -2.624 9.340 2.404 1.00 0.00 O ATOM 713 CB VAL A 52 -4.796 7.896 3.584 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.880 8.888 3.190 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.389 6.723 4.350 1.00 0.00 C ATOM 0 H VAL A 52 -2.499 6.514 3.453 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.753 7.001 1.620 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.089 8.407 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.405 9.227 4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.426 9.743 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.587 8.406 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.921 7.093 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.082 6.181 3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.589 6.054 4.667 1.00 0.00 H new ATOM 725 N LEU A 53 -3.411 8.706 0.393 1.00 0.00 N ATOM 726 CA LEU A 53 -2.748 9.786 -0.328 1.00 0.00 C ATOM 727 C LEU A 53 -3.220 11.146 0.174 1.00 0.00 C ATOM 728 O LEU A 53 -4.402 11.339 0.458 1.00 0.00 O ATOM 729 CB LEU A 53 -3.015 9.663 -1.830 1.00 0.00 C ATOM 730 CG LEU A 53 -2.335 8.476 -2.514 1.00 0.00 C ATOM 731 CD1 LEU A 53 -2.941 8.231 -3.887 1.00 0.00 C ATOM 732 CD2 LEU A 53 -0.836 8.716 -2.625 1.00 0.00 C ATOM 0 H LEU A 53 -3.960 8.079 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.676 9.705 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.091 9.586 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.687 10.581 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.498 7.587 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.444 7.383 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.004 8.016 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.809 9.118 -4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.366 7.863 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.654 9.616 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.413 8.841 -1.628 1.00 0.00 H new ATOM 744 N ASP A 54 -2.288 12.088 0.282 1.00 0.00 N ATOM 745 CA ASP A 54 -2.609 13.431 0.750 1.00 0.00 C ATOM 746 C ASP A 54 -3.636 14.095 -0.162 1.00 0.00 C ATOM 747 O ASP A 54 -4.447 14.906 0.286 1.00 0.00 O ATOM 748 CB ASP A 54 -1.341 14.286 0.817 1.00 0.00 C ATOM 749 CG ASP A 54 -0.701 14.263 2.192 1.00 0.00 C ATOM 750 OD1 ASP A 54 -1.118 15.067 3.053 1.00 0.00 O ATOM 751 OD2 ASP A 54 0.216 13.444 2.406 1.00 0.00 O ATOM 0 H ASP A 54 -1.305 11.946 0.052 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.037 13.348 1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.624 13.926 0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.585 15.314 0.550 1.00 0.00 H new ATOM 756 N ASP A 55 -3.595 13.745 -1.444 1.00 0.00 N ATOM 757 CA ASP A 55 -4.522 14.307 -2.419 1.00 0.00 C ATOM 758 C ASP A 55 -5.427 13.223 -2.999 1.00 0.00 C ATOM 759 O ASP A 55 -5.117 12.034 -2.916 1.00 0.00 O ATOM 760 CB ASP A 55 -3.751 14.998 -3.546 1.00 0.00 C ATOM 761 CG ASP A 55 -3.450 16.451 -3.235 1.00 0.00 C ATOM 762 OD1 ASP A 55 -2.725 16.709 -2.252 1.00 0.00 O ATOM 763 OD2 ASP A 55 -3.940 17.330 -3.975 1.00 0.00 O ATOM 0 H ASP A 55 -2.930 13.075 -1.831 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.145 15.041 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.816 14.466 -3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.330 14.939 -4.468 1.00 0.00 H new ATOM 768 N PRO A 56 -6.564 13.620 -3.596 1.00 0.00 N ATOM 769 CA PRO A 56 -7.515 12.677 -4.191 1.00 0.00 C ATOM 770 C PRO A 56 -6.985 12.055 -5.479 1.00 0.00 C ATOM 771 O PRO A 56 -7.560 12.237 -6.552 1.00 0.00 O ATOM 772 CB PRO A 56 -8.741 13.546 -4.479 1.00 0.00 C ATOM 773 CG PRO A 56 -8.195 14.919 -4.659 1.00 0.00 C ATOM 774 CD PRO A 56 -7.010 15.020 -3.739 1.00 0.00 C ATOM 0 HA PRO A 56 -7.720 11.833 -3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.265 13.208 -5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.456 13.508 -3.657 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.900 15.089 -5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.944 15.672 -4.414 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.227 15.650 -4.161 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.284 15.454 -2.777 1.00 0.00 H new ATOM 782 N VAL A 57 -5.884 11.319 -5.365 1.00 0.00 N ATOM 783 CA VAL A 57 -5.276 10.671 -6.520 1.00 0.00 C ATOM 784 C VAL A 57 -5.078 9.178 -6.273 1.00 0.00 C ATOM 785 O VAL A 57 -4.147 8.571 -6.799 1.00 0.00 O ATOM 786 CB VAL A 57 -3.918 11.305 -6.872 1.00 0.00 C ATOM 787 CG1 VAL A 57 -4.103 12.741 -7.338 1.00 0.00 C ATOM 788 CG2 VAL A 57 -2.975 11.241 -5.680 1.00 0.00 C ATOM 0 H VAL A 57 -5.395 11.157 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.961 10.811 -7.356 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.473 10.737 -7.689 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.132 13.172 -7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.740 12.757 -8.222 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.570 13.324 -6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.020 11.694 -5.947 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.412 11.783 -4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.817 10.200 -5.397 1.00 0.00 H new ATOM 798 N GLY A 58 -5.959 8.596 -5.467 1.00 0.00 N ATOM 799 CA GLY A 58 -5.862 7.180 -5.163 1.00 0.00 C ATOM 800 C GLY A 58 -6.746 6.333 -6.059 1.00 0.00 C ATOM 801 O GLY A 58 -6.871 6.605 -7.253 1.00 0.00 O ATOM 0 H GLY A 58 -6.738 9.079 -5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.826 6.858 -5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.140 7.015 -4.122 1.00 0.00 H new ATOM 805 N LYS A 59 -7.358 5.305 -5.482 1.00 0.00 N ATOM 806 CA LYS A 59 -8.233 4.416 -6.236 1.00 0.00 C ATOM 807 C LYS A 59 -9.510 4.117 -5.455 1.00 0.00 C ATOM 808 O LYS A 59 -10.605 4.492 -5.872 1.00 0.00 O ATOM 809 CB LYS A 59 -7.508 3.110 -6.566 1.00 0.00 C ATOM 810 CG LYS A 59 -6.142 3.316 -7.200 1.00 0.00 C ATOM 811 CD LYS A 59 -5.817 2.212 -8.194 1.00 0.00 C ATOM 812 CE LYS A 59 -4.357 1.794 -8.108 1.00 0.00 C ATOM 813 NZ LYS A 59 -3.600 2.167 -9.334 1.00 0.00 N ATOM 0 H LYS A 59 -7.264 5.067 -4.495 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.504 4.918 -7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.391 2.528 -5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.128 2.521 -7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.116 4.281 -7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.379 3.343 -6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.455 1.349 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.039 2.554 -9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.895 2.264 -7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.296 0.716 -7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.610 1.865 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.025 1.699 -10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.636 3.198 -9.464 1.00 0.00 H new ATOM 827 N ASN A 60 -9.359 3.442 -4.321 1.00 0.00 N ATOM 828 CA ASN A 60 -10.499 3.093 -3.482 1.00 0.00 C ATOM 829 C ASN A 60 -10.727 4.149 -2.405 1.00 0.00 C ATOM 830 O ASN A 60 -9.983 5.127 -2.314 1.00 0.00 O ATOM 831 CB ASN A 60 -10.280 1.725 -2.832 1.00 0.00 C ATOM 832 CG ASN A 60 -9.980 0.642 -3.849 1.00 0.00 C ATOM 833 OD1 ASN A 60 -10.637 0.550 -4.887 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.983 -0.184 -3.557 1.00 0.00 N ATOM 0 H ASN A 60 -8.458 3.126 -3.962 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.385 3.050 -4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.455 1.791 -2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.168 1.450 -2.264 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.734 -0.932 -4.204 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.466 -0.071 -2.685 1.00 0.00 H new ATOM 841 N ASP A 61 -11.759 3.945 -1.593 1.00 0.00 N ATOM 842 CA ASP A 61 -12.085 4.880 -0.522 1.00 0.00 C ATOM 843 C ASP A 61 -12.017 4.193 0.838 1.00 0.00 C ATOM 844 O ASP A 61 -12.771 4.528 1.752 1.00 0.00 O ATOM 845 CB ASP A 61 -13.479 5.470 -0.740 1.00 0.00 C ATOM 846 CG ASP A 61 -14.549 4.401 -0.847 1.00 0.00 C ATOM 847 OD1 ASP A 61 -15.014 3.918 0.208 1.00 0.00 O ATOM 848 OD2 ASP A 61 -14.923 4.047 -1.984 1.00 0.00 O ATOM 0 H ASP A 61 -12.384 3.141 -1.656 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.351 5.685 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.720 6.140 0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.478 6.071 -1.649 1.00 0.00 H new ATOM 853 N GLY A 62 -11.109 3.231 0.964 1.00 0.00 N ATOM 854 CA GLY A 62 -10.960 2.513 2.216 1.00 0.00 C ATOM 855 C GLY A 62 -11.866 1.300 2.301 1.00 0.00 C ATOM 856 O GLY A 62 -12.253 0.881 3.392 1.00 0.00 O ATOM 0 H GLY A 62 -10.474 2.936 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.923 2.197 2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.180 3.185 3.045 1.00 0.00 H new ATOM 860 N ALA A 63 -12.204 0.734 1.147 1.00 0.00 N ATOM 861 CA ALA A 63 -13.070 -0.438 1.094 1.00 0.00 C ATOM 862 C ALA A 63 -12.917 -1.175 -0.231 1.00 0.00 C ATOM 863 O ALA A 63 -13.031 -0.577 -1.302 1.00 0.00 O ATOM 864 CB ALA A 63 -14.521 -0.031 1.310 1.00 0.00 C ATOM 0 H ALA A 63 -11.891 1.068 0.236 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.771 -1.117 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.157 -0.915 1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.624 0.444 2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.822 0.670 0.531 1.00 0.00 H new ATOM 870 N VAL A 64 -12.659 -2.475 -0.154 1.00 0.00 N ATOM 871 CA VAL A 64 -12.490 -3.294 -1.347 1.00 0.00 C ATOM 872 C VAL A 64 -13.309 -4.577 -1.255 1.00 0.00 C ATOM 873 O VAL A 64 -13.035 -5.441 -0.421 1.00 0.00 O ATOM 874 CB VAL A 64 -11.011 -3.658 -1.575 1.00 0.00 C ATOM 875 CG1 VAL A 64 -10.830 -4.341 -2.923 1.00 0.00 C ATOM 876 CG2 VAL A 64 -10.134 -2.419 -1.475 1.00 0.00 C ATOM 0 H VAL A 64 -12.562 -2.985 0.724 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.844 -2.700 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.704 -4.356 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.779 -4.591 -3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.427 -5.253 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.155 -3.669 -3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.093 -2.696 -1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.440 -1.695 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.240 -1.977 -0.484 1.00 0.00 H new ATOM 886 N GLY A 65 -14.314 -4.695 -2.115 1.00 0.00 N ATOM 887 CA GLY A 65 -15.157 -5.876 -2.113 1.00 0.00 C ATOM 888 C GLY A 65 -16.033 -5.962 -0.879 1.00 0.00 C ATOM 889 O GLY A 65 -16.404 -7.054 -0.447 1.00 0.00 O ATOM 0 H GLY A 65 -14.560 -3.994 -2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.787 -5.870 -3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.530 -6.766 -2.172 1.00 0.00 H new ATOM 893 N GLY A 66 -16.366 -4.808 -0.311 1.00 0.00 N ATOM 894 CA GLY A 66 -17.201 -4.779 0.876 1.00 0.00 C ATOM 895 C GLY A 66 -16.392 -4.675 2.154 1.00 0.00 C ATOM 896 O GLY A 66 -16.866 -4.135 3.154 1.00 0.00 O ATOM 0 H GLY A 66 -16.073 -3.892 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.886 -3.933 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.811 -5.682 0.909 1.00 0.00 H new ATOM 900 N VAL A 67 -15.169 -5.194 2.121 1.00 0.00 N ATOM 901 CA VAL A 67 -14.293 -5.157 3.286 1.00 0.00 C ATOM 902 C VAL A 67 -13.655 -3.782 3.450 1.00 0.00 C ATOM 903 O VAL A 67 -13.060 -3.246 2.515 1.00 0.00 O ATOM 904 CB VAL A 67 -13.180 -6.217 3.186 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.402 -6.300 4.489 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.765 -7.572 2.818 1.00 0.00 C ATOM 0 H VAL A 67 -14.763 -5.645 1.301 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.914 -5.373 4.155 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.490 -5.919 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.620 -7.054 4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.949 -5.332 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.078 -6.573 5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.964 -8.308 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.479 -7.880 3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.272 -7.500 1.856 1.00 0.00 H new ATOM 916 N ARG A 68 -13.783 -3.216 4.646 1.00 0.00 N ATOM 917 CA ARG A 68 -13.217 -1.902 4.934 1.00 0.00 C ATOM 918 C ARG A 68 -11.871 -2.032 5.637 1.00 0.00 C ATOM 919 O ARG A 68 -11.722 -2.812 6.578 1.00 0.00 O ATOM 920 CB ARG A 68 -14.181 -1.088 5.798 1.00 0.00 C ATOM 921 CG ARG A 68 -13.956 0.413 5.709 1.00 0.00 C ATOM 922 CD ARG A 68 -14.932 1.176 6.589 1.00 0.00 C ATOM 923 NE ARG A 68 -16.179 1.479 5.890 1.00 0.00 N ATOM 924 CZ ARG A 68 -16.262 2.297 4.844 1.00 0.00 C ATOM 925 NH1 ARG A 68 -15.175 2.894 4.371 1.00 0.00 N ATOM 926 NH2 ARG A 68 -17.436 2.519 4.268 1.00 0.00 N ATOM 0 H ARG A 68 -14.273 -3.646 5.431 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.063 -1.384 3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.204 -1.312 5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.079 -1.402 6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.935 0.647 6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -14.067 0.738 4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.150 0.589 7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.469 2.104 6.923 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.036 1.038 6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.269 2.727 4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.245 3.520 3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.275 2.063 4.627 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.500 3.146 3.466 1.00 0.00 H new ATOM 940 N TYR A 69 -10.890 -1.262 5.174 1.00 0.00 N ATOM 941 CA TYR A 69 -9.555 -1.291 5.760 1.00 0.00 C ATOM 942 C TYR A 69 -9.318 -0.065 6.635 1.00 0.00 C ATOM 943 O TYR A 69 -8.851 -0.180 7.769 1.00 0.00 O ATOM 944 CB TYR A 69 -8.495 -1.359 4.659 1.00 0.00 C ATOM 945 CG TYR A 69 -8.590 -2.601 3.803 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.602 -2.745 2.863 1.00 0.00 C ATOM 947 CD2 TYR A 69 -7.666 -3.631 3.935 1.00 0.00 C ATOM 948 CE1 TYR A 69 -9.693 -3.878 2.078 1.00 0.00 C ATOM 949 CE2 TYR A 69 -7.749 -4.768 3.154 1.00 0.00 C ATOM 950 CZ TYR A 69 -8.764 -4.887 2.227 1.00 0.00 C ATOM 951 OH TYR A 69 -8.851 -6.018 1.448 1.00 0.00 O ATOM 0 H TYR A 69 -10.995 -0.611 4.396 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.478 -2.181 6.385 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.589 -0.480 4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.506 -1.317 5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.331 -1.957 2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.870 -3.541 4.660 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.487 -3.973 1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.023 -5.559 3.269 1.00 0.00 H new ATOM 0 HH TYR A 69 -9.255 -5.790 0.585 1.00 0.00 H new ATOM 961 N PHE A 70 -9.643 1.108 6.102 1.00 0.00 N ATOM 962 CA PHE A 70 -9.465 2.356 6.836 1.00 0.00 C ATOM 963 C PHE A 70 -10.492 3.396 6.399 1.00 0.00 C ATOM 964 O PHE A 70 -10.793 3.526 5.212 1.00 0.00 O ATOM 965 CB PHE A 70 -8.050 2.899 6.624 1.00 0.00 C ATOM 966 CG PHE A 70 -7.637 2.955 5.181 1.00 0.00 C ATOM 967 CD1 PHE A 70 -8.111 3.957 4.349 1.00 0.00 C ATOM 968 CD2 PHE A 70 -6.776 2.005 4.657 1.00 0.00 C ATOM 969 CE1 PHE A 70 -7.732 4.011 3.021 1.00 0.00 C ATOM 970 CE2 PHE A 70 -6.393 2.053 3.329 1.00 0.00 C ATOM 971 CZ PHE A 70 -6.872 3.058 2.511 1.00 0.00 C ATOM 0 H PHE A 70 -10.031 1.221 5.165 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.613 2.149 7.896 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.986 3.900 7.050 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.344 2.274 7.171 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.784 4.704 4.743 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.399 1.218 5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.108 4.797 2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.721 1.306 2.932 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.574 3.098 1.474 1.00 0.00 H new ATOM 981 N GLU A 71 -11.027 4.134 7.366 1.00 0.00 N ATOM 982 CA GLU A 71 -12.020 5.163 7.083 1.00 0.00 C ATOM 983 C GLU A 71 -11.350 6.466 6.664 1.00 0.00 C ATOM 984 O GLU A 71 -10.769 7.171 7.489 1.00 0.00 O ATOM 985 CB GLU A 71 -12.903 5.402 8.309 1.00 0.00 C ATOM 986 CG GLU A 71 -13.958 4.327 8.518 1.00 0.00 C ATOM 987 CD GLU A 71 -15.116 4.806 9.371 1.00 0.00 C ATOM 988 OE1 GLU A 71 -15.421 6.016 9.333 1.00 0.00 O ATOM 989 OE2 GLU A 71 -15.719 3.970 10.078 1.00 0.00 O ATOM 0 H GLU A 71 -10.789 4.038 8.353 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.642 4.814 6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.272 5.457 9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.396 6.369 8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.336 4.000 7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.498 3.459 8.990 1.00 0.00 H new ATOM 996 N CYS A 72 -11.434 6.782 5.376 1.00 0.00 N ATOM 997 CA CYS A 72 -10.835 8.002 4.846 1.00 0.00 C ATOM 998 C CYS A 72 -11.646 8.541 3.671 1.00 0.00 C ATOM 999 O CYS A 72 -12.496 7.842 3.119 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.393 7.738 4.407 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.163 8.029 5.701 1.00 0.00 S ATOM 0 H CYS A 72 -11.911 6.210 4.679 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.835 8.751 5.638 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.311 6.705 4.068 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.163 8.373 3.552 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.699 7.812 6.866 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.393 9.800 3.272 1.00 0.00 N ATOM 1008 CA PRO A 73 -12.105 10.433 2.156 1.00 0.00 C ATOM 1009 C PRO A 73 -12.077 9.578 0.893 1.00 0.00 C ATOM 1010 O PRO A 73 -11.320 8.612 0.802 1.00 0.00 O ATOM 1011 CB PRO A 73 -11.336 11.737 1.937 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.712 12.036 3.255 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.395 10.703 3.876 1.00 0.00 C ATOM 0 HA PRO A 73 -13.162 10.579 2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.582 11.625 1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.002 12.541 1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.809 12.634 3.132 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.390 12.609 3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.377 10.386 3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.485 10.734 4.962 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.908 9.942 -0.079 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.978 9.209 -1.336 1.00 0.00 C ATOM 1023 C ALA A 74 -11.748 9.475 -2.197 1.00 0.00 C ATOM 1024 O ALA A 74 -11.156 10.552 -2.135 1.00 0.00 O ATOM 1025 CB ALA A 74 -14.245 9.581 -2.093 1.00 0.00 C ATOM 0 H ALA A 74 -13.541 10.739 -0.019 1.00 0.00 H new ATOM 0 HA ALA A 74 -13.004 8.144 -1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.285 9.026 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.117 9.333 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.242 10.650 -2.304 1.00 0.00 H new ATOM 1031 N LEU A 75 -11.369 8.486 -3.000 1.00 0.00 N ATOM 1032 CA LEU A 75 -10.209 8.613 -3.874 1.00 0.00 C ATOM 1033 C LEU A 75 -8.939 8.847 -3.063 1.00 0.00 C ATOM 1034 O LEU A 75 -8.015 9.522 -3.519 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.415 9.760 -4.866 1.00 0.00 C ATOM 1036 CG LEU A 75 -11.735 9.722 -5.635 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -12.125 11.117 -6.097 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -11.633 8.776 -6.821 1.00 0.00 C ATOM 0 H LEU A 75 -11.848 7.588 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.098 7.680 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.355 10.704 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.594 9.752 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.512 9.353 -4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.067 11.069 -6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.240 11.768 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.348 11.515 -6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.582 8.761 -7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.843 9.116 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.401 7.772 -6.466 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.899 8.285 -1.860 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.742 8.431 -0.985 1.00 0.00 C ATOM 1052 C GLN A 76 -7.426 7.118 -0.275 1.00 0.00 C ATOM 1053 O GLN A 76 -6.862 7.114 0.819 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.990 9.535 0.045 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.887 10.938 -0.529 1.00 0.00 C ATOM 1056 CD GLN A 76 -7.890 12.008 0.545 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -8.708 12.927 0.520 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -6.971 11.894 1.497 1.00 0.00 N ATOM 0 H GLN A 76 -9.655 7.724 -1.468 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.885 8.705 -1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.981 9.401 0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.271 9.430 0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.972 11.020 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.720 11.110 -1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.312 11.116 1.479 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.924 12.585 2.246 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.791 6.007 -0.905 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.537 4.703 -0.319 1.00 0.00 C ATOM 1069 C GLY A 77 -6.852 3.760 -1.287 1.00 0.00 C ATOM 1070 O GLY A 77 -7.352 2.669 -1.561 1.00 0.00 O ATOM 0 H GLY A 77 -8.258 5.986 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.917 4.821 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.480 4.264 0.007 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.704 4.183 -1.807 1.00 0.00 N ATOM 1075 CA ILE A 78 -4.948 3.371 -2.752 1.00 0.00 C ATOM 1076 C ILE A 78 -4.252 2.211 -2.048 1.00 0.00 C ATOM 1077 O ILE A 78 -3.739 2.361 -0.939 1.00 0.00 O ATOM 1078 CB ILE A 78 -3.897 4.216 -3.500 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.188 3.372 -4.562 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.889 4.802 -2.520 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -2.427 4.194 -5.579 1.00 0.00 C ATOM 0 H ILE A 78 -5.278 5.084 -1.589 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.662 2.974 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.408 5.039 -4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.497 2.688 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.926 2.760 -5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.155 5.395 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.407 5.437 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.383 3.994 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.950 3.530 -6.300 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.117 4.859 -6.099 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.665 4.786 -5.072 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.236 1.054 -2.701 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.602 -0.134 -2.140 1.00 0.00 C ATOM 1095 C PHE A 79 -2.380 -0.535 -2.961 1.00 0.00 C ATOM 1096 O PHE A 79 -2.484 -0.797 -4.159 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.598 -1.294 -2.087 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.622 -1.155 -0.997 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -6.618 -0.197 -1.081 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -5.587 -1.985 0.113 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -7.562 -0.068 -0.079 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -6.528 -1.861 1.118 1.00 0.00 C ATOM 1103 CZ PHE A 79 -7.517 -0.901 1.021 1.00 0.00 C ATOM 0 H PHE A 79 -4.655 0.913 -3.620 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.277 0.102 -1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.109 -1.368 -3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.051 -2.226 -1.944 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.658 0.457 -1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.816 -2.737 0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.334 0.684 -0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.490 -2.514 1.978 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.254 -0.802 1.805 1.00 0.00 H new ATOM 1113 N THR A 80 -1.223 -0.581 -2.308 1.00 0.00 N ATOM 1114 CA THR A 80 0.018 -0.950 -2.978 1.00 0.00 C ATOM 1115 C THR A 80 0.881 -1.829 -2.078 1.00 0.00 C ATOM 1116 O THR A 80 0.596 -1.988 -0.891 1.00 0.00 O ATOM 1117 CB THR A 80 0.795 0.303 -3.384 1.00 0.00 C ATOM 1118 OG1 THR A 80 2.034 -0.045 -3.975 1.00 0.00 O ATOM 1119 CG2 THR A 80 1.084 1.232 -2.224 1.00 0.00 C ATOM 0 H THR A 80 -1.120 -0.367 -1.316 1.00 0.00 H new ATOM 0 HA THR A 80 -0.236 -1.517 -3.874 1.00 0.00 H new ATOM 0 HB THR A 80 0.151 0.824 -4.093 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.515 0.770 -4.229 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.637 2.100 -2.582 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.145 1.559 -1.777 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.678 0.706 -1.476 1.00 0.00 H new ATOM 1127 N ARG A 81 1.937 -2.398 -2.651 1.00 0.00 N ATOM 1128 CA ARG A 81 2.841 -3.261 -1.901 1.00 0.00 C ATOM 1129 C ARG A 81 3.762 -2.435 -1.004 1.00 0.00 C ATOM 1130 O ARG A 81 4.258 -1.386 -1.411 1.00 0.00 O ATOM 1131 CB ARG A 81 3.675 -4.116 -2.857 1.00 0.00 C ATOM 1132 CG ARG A 81 2.859 -4.750 -3.973 1.00 0.00 C ATOM 1133 CD ARG A 81 3.713 -5.670 -4.832 1.00 0.00 C ATOM 1134 NE ARG A 81 3.042 -6.033 -6.078 1.00 0.00 N ATOM 1135 CZ ARG A 81 2.931 -5.218 -7.124 1.00 0.00 C ATOM 1136 NH1 ARG A 81 3.442 -3.995 -7.080 1.00 0.00 N ATOM 1137 NH2 ARG A 81 2.306 -5.629 -8.220 1.00 0.00 N ATOM 0 H ARG A 81 2.187 -2.277 -3.632 1.00 0.00 H new ATOM 0 HA ARG A 81 2.239 -3.916 -1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.458 -3.497 -3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.172 -4.903 -2.289 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.031 -5.315 -3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.423 -3.969 -4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.659 -5.179 -5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.950 -6.574 -4.271 1.00 0.00 H new ATOM 0 HE ARG A 81 2.635 -6.965 -6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.924 -3.674 -6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.353 -3.376 -7.886 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.911 -6.569 -8.260 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.220 -5.005 -9.022 1.00 0.00 H new ATOM 1151 N PRO A 82 4.005 -2.900 0.236 1.00 0.00 N ATOM 1152 CA PRO A 82 4.873 -2.194 1.185 1.00 0.00 C ATOM 1153 C PRO A 82 6.243 -1.878 0.594 1.00 0.00 C ATOM 1154 O PRO A 82 6.771 -0.781 0.777 1.00 0.00 O ATOM 1155 CB PRO A 82 5.009 -3.181 2.347 1.00 0.00 C ATOM 1156 CG PRO A 82 3.789 -4.030 2.270 1.00 0.00 C ATOM 1157 CD PRO A 82 3.458 -4.145 0.809 1.00 0.00 C ATOM 0 HA PRO A 82 4.457 -1.229 1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.915 -3.780 2.253 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.069 -2.661 3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.968 -5.012 2.708 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.965 -3.580 2.823 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.915 -5.028 0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.383 -4.225 0.645 1.00 0.00 H new ATOM 1165 N SER A 83 6.814 -2.847 -0.114 1.00 0.00 N ATOM 1166 CA SER A 83 8.124 -2.674 -0.733 1.00 0.00 C ATOM 1167 C SER A 83 8.121 -1.490 -1.696 1.00 0.00 C ATOM 1168 O SER A 83 9.117 -0.776 -1.820 1.00 0.00 O ATOM 1169 CB SER A 83 8.534 -3.947 -1.474 1.00 0.00 C ATOM 1170 OG SER A 83 8.193 -5.103 -0.728 1.00 0.00 O ATOM 0 H SER A 83 6.390 -3.761 -0.274 1.00 0.00 H new ATOM 0 HA SER A 83 8.847 -2.473 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.043 -3.980 -2.446 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.608 -3.934 -1.660 1.00 0.00 H new ATOM 0 HG SER A 83 8.464 -5.904 -1.224 1.00 0.00 H new ATOM 1176 N LYS A 84 6.997 -1.288 -2.375 1.00 0.00 N ATOM 1177 CA LYS A 84 6.866 -0.191 -3.326 1.00 0.00 C ATOM 1178 C LYS A 84 6.911 1.157 -2.613 1.00 0.00 C ATOM 1179 O LYS A 84 7.366 2.153 -3.175 1.00 0.00 O ATOM 1180 CB LYS A 84 5.560 -0.322 -4.112 1.00 0.00 C ATOM 1181 CG LYS A 84 5.563 -1.467 -5.111 1.00 0.00 C ATOM 1182 CD LYS A 84 6.661 -1.296 -6.149 1.00 0.00 C ATOM 1183 CE LYS A 84 6.190 -1.717 -7.532 1.00 0.00 C ATOM 1184 NZ LYS A 84 6.662 -3.084 -7.888 1.00 0.00 N ATOM 0 H LYS A 84 6.164 -1.870 -2.284 1.00 0.00 H new ATOM 0 HA LYS A 84 7.706 -0.243 -4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.737 -0.464 -3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.370 0.611 -4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.702 -2.411 -4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.595 -1.520 -5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.981 -0.254 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.529 -1.889 -5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.101 -1.688 -7.569 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.553 -1.004 -8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.320 -3.333 -8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.702 -3.106 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.295 -3.769 -7.197 1.00 0.00 H new ATOM 1198 N LEU A 85 6.435 1.181 -1.372 1.00 0.00 N ATOM 1199 CA LEU A 85 6.420 2.406 -0.582 1.00 0.00 C ATOM 1200 C LEU A 85 7.836 2.821 -0.194 1.00 0.00 C ATOM 1201 O LEU A 85 8.735 1.985 -0.097 1.00 0.00 O ATOM 1202 CB LEU A 85 5.569 2.217 0.675 1.00 0.00 C ATOM 1203 CG LEU A 85 4.161 1.677 0.428 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.558 1.146 1.720 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.273 2.758 -0.172 1.00 0.00 C ATOM 0 H LEU A 85 6.055 0.365 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 85 5.983 3.197 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.090 1.536 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.489 3.175 1.189 1.00 0.00 H new ATOM 0 HG LEU A 85 4.228 0.853 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.555 0.766 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.182 0.341 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.504 1.950 2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.274 2.356 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.213 3.602 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.695 3.091 -1.120 1.00 0.00 H new ATOM 1217 N THR A 86 8.028 4.117 0.028 1.00 0.00 N ATOM 1218 CA THR A 86 9.334 4.644 0.406 1.00 0.00 C ATOM 1219 C THR A 86 9.194 5.746 1.451 1.00 0.00 C ATOM 1220 O THR A 86 8.109 6.293 1.648 1.00 0.00 O ATOM 1221 CB THR A 86 10.067 5.181 -0.824 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.272 6.138 -1.502 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.435 4.102 -1.820 1.00 0.00 C ATOM 0 H THR A 86 7.295 4.822 -0.047 1.00 0.00 H new ATOM 0 HA THR A 86 9.915 3.830 0.839 1.00 0.00 H new ATOM 0 HB THR A 86 10.985 5.628 -0.442 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.395 5.751 -1.703 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.952 4.551 -2.668 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.088 3.372 -1.341 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.530 3.605 -2.169 1.00 0.00 H new ATOM 1231 N ARG A 87 10.297 6.067 2.118 1.00 0.00 N ATOM 1232 CA ARG A 87 10.296 7.105 3.142 1.00 0.00 C ATOM 1233 C ARG A 87 10.917 8.395 2.613 1.00 0.00 C ATOM 1234 O ARG A 87 11.484 9.180 3.373 1.00 0.00 O ATOM 1235 CB ARG A 87 11.057 6.626 4.382 1.00 0.00 C ATOM 1236 CG ARG A 87 10.188 6.523 5.626 1.00 0.00 C ATOM 1237 CD ARG A 87 10.327 7.754 6.506 1.00 0.00 C ATOM 1238 NE ARG A 87 9.184 7.919 7.401 1.00 0.00 N ATOM 1239 CZ ARG A 87 9.201 8.680 8.493 1.00 0.00 C ATOM 1240 NH1 ARG A 87 10.298 9.347 8.828 1.00 0.00 N ATOM 1241 NH2 ARG A 87 8.117 8.775 9.251 1.00 0.00 N ATOM 0 H ARG A 87 11.203 5.623 1.968 1.00 0.00 H new ATOM 0 HA ARG A 87 9.261 7.310 3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.497 5.651 4.174 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.881 7.312 4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.145 6.399 5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.467 5.635 6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.241 7.677 7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.426 8.639 5.878 1.00 0.00 H new ATOM 0 HE ARG A 87 8.322 7.422 7.176 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.134 9.278 8.248 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.305 9.929 9.666 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.271 8.265 8.997 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.129 9.358 10.088 1.00 0.00 H new ATOM 1255 N GLN A 88 10.805 8.608 1.305 1.00 0.00 N ATOM 1256 CA GLN A 88 11.354 9.804 0.675 1.00 0.00 C ATOM 1257 C GLN A 88 11.071 9.808 -0.825 1.00 0.00 C ATOM 1258 O GLN A 88 11.000 8.752 -1.454 1.00 0.00 O ATOM 1259 CB GLN A 88 12.863 9.890 0.920 1.00 0.00 C ATOM 1260 CG GLN A 88 13.622 8.651 0.477 1.00 0.00 C ATOM 1261 CD GLN A 88 14.988 8.542 1.127 1.00 0.00 C ATOM 1262 OE1 GLN A 88 15.305 7.541 1.770 1.00 0.00 O ATOM 1263 NE2 GLN A 88 15.806 9.575 0.960 1.00 0.00 N ATOM 0 H GLN A 88 10.339 7.968 0.661 1.00 0.00 H new ATOM 0 HA GLN A 88 10.870 10.673 1.121 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.260 10.757 0.392 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.041 10.055 1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.036 7.764 0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.739 8.669 -0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.501 10.384 0.419 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.739 9.559 1.373 1.00 0.00 H new ATOM 1272 N PRO A 89 10.903 11.002 -1.420 1.00 0.00 N ATOM 1273 CA PRO A 89 10.627 11.137 -2.854 1.00 0.00 C ATOM 1274 C PRO A 89 11.841 10.795 -3.712 1.00 0.00 C ATOM 1275 O PRO A 89 12.820 11.538 -3.746 1.00 0.00 O ATOM 1276 CB PRO A 89 10.265 12.616 -3.008 1.00 0.00 C ATOM 1277 CG PRO A 89 10.966 13.294 -1.883 1.00 0.00 C ATOM 1278 CD PRO A 89 10.972 12.312 -0.744 1.00 0.00 C ATOM 0 HA PRO A 89 9.843 10.455 -3.184 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.593 13.006 -3.972 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.187 12.768 -2.952 1.00 0.00 H new ATOM 0 HG2 PRO A 89 11.982 13.569 -2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.453 14.214 -1.602 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.874 12.405 -0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.123 12.465 -0.077 1.00 0.00 H new