USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 430 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 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.256 K(o=-0.26,f=-2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.126 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.5!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.612 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0.0353 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 175:sc= -1.15 (180deg=-1.26) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 82 N GLY A 9 -11.247 -5.977 8.099 1.00 0.00 N ATOM 83 CA GLY A 9 -10.490 -5.607 9.281 1.00 0.00 C ATOM 84 C GLY A 9 -9.091 -5.130 8.948 1.00 0.00 C ATOM 85 O GLY A 9 -8.567 -4.219 9.591 1.00 0.00 O ATOM 0 HA2 GLY A 9 -11.021 -4.820 9.817 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.428 -6.464 9.952 1.00 0.00 H new ATOM 89 N THR A 10 -8.480 -5.747 7.941 1.00 0.00 N ATOM 90 CA THR A 10 -7.132 -5.382 7.526 1.00 0.00 C ATOM 91 C THR A 10 -7.124 -4.041 6.802 1.00 0.00 C ATOM 92 O THR A 10 -6.245 -3.208 7.029 1.00 0.00 O ATOM 93 CB THR A 10 -6.519 -6.453 6.604 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.483 -7.716 7.278 1.00 0.00 O ATOM 95 CG2 THR A 10 -5.113 -6.060 6.178 1.00 0.00 C ATOM 0 H THR A 10 -8.898 -6.502 7.398 1.00 0.00 H new ATOM 0 HA THR A 10 -6.532 -5.306 8.433 1.00 0.00 H new ATOM 0 HB THR A 10 -7.142 -6.534 5.713 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.094 -8.392 6.685 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.701 -6.832 5.528 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.147 -5.112 5.640 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.482 -5.954 7.060 1.00 0.00 H new ATOM 103 N ILE A 11 -8.107 -3.837 5.931 1.00 0.00 N ATOM 104 CA ILE A 11 -8.213 -2.594 5.177 1.00 0.00 C ATOM 105 C ILE A 11 -8.358 -1.396 6.108 1.00 0.00 C ATOM 106 O ILE A 11 -7.569 -0.453 6.051 1.00 0.00 O ATOM 107 CB ILE A 11 -9.408 -2.625 4.206 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.301 -3.829 3.268 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.478 -1.331 3.410 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.579 -4.633 3.167 1.00 0.00 C ATOM 0 H ILE A 11 -8.841 -4.516 5.730 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.292 -2.494 4.603 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.326 -2.721 4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.021 -3.481 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.499 -4.480 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.328 -1.369 2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.597 -0.490 4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.559 -1.206 2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.429 -5.470 2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.850 -5.012 4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.380 -3.997 2.790 1.00 0.00 H new ATOM 122 N ASP A 12 -9.372 -1.441 6.965 1.00 0.00 N ATOM 123 CA ASP A 12 -9.620 -0.359 7.912 1.00 0.00 C ATOM 124 C ASP A 12 -8.309 0.198 8.457 1.00 0.00 C ATOM 125 O ASP A 12 -8.195 1.395 8.720 1.00 0.00 O ATOM 126 CB ASP A 12 -10.498 -0.853 9.064 1.00 0.00 C ATOM 127 CG ASP A 12 -10.986 0.279 9.945 1.00 0.00 C ATOM 128 OD1 ASP A 12 -10.291 1.314 10.024 1.00 0.00 O ATOM 129 OD2 ASP A 12 -12.065 0.131 10.556 1.00 0.00 O ATOM 0 H ASP A 12 -10.035 -2.214 7.024 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.141 0.440 7.385 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.356 -1.390 8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.934 -1.563 9.669 1.00 0.00 H new ATOM 134 N GLN A 13 -7.324 -0.678 8.624 1.00 0.00 N ATOM 135 CA GLN A 13 -6.022 -0.273 9.140 1.00 0.00 C ATOM 136 C GLN A 13 -5.115 0.209 8.012 1.00 0.00 C ATOM 137 O GLN A 13 -4.480 1.259 8.117 1.00 0.00 O ATOM 138 CB GLN A 13 -5.359 -1.435 9.881 1.00 0.00 C ATOM 139 CG GLN A 13 -6.125 -1.887 11.114 1.00 0.00 C ATOM 140 CD GLN A 13 -5.430 -1.502 12.406 1.00 0.00 C ATOM 141 OE1 GLN A 13 -4.210 -1.342 12.444 1.00 0.00 O ATOM 142 NE2 GLN A 13 -6.206 -1.351 13.473 1.00 0.00 N ATOM 0 H GLN A 13 -7.403 -1.672 8.410 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.176 0.552 9.836 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.256 -2.278 9.198 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.353 -1.139 10.177 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.123 -1.449 11.098 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.251 -2.969 11.082 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.213 -1.494 13.396 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.795 -1.092 14.370 1.00 0.00 H new ATOM 151 N LEU A 14 -5.059 -0.564 6.933 1.00 0.00 N ATOM 152 CA LEU A 14 -4.231 -0.217 5.784 1.00 0.00 C ATOM 153 C LEU A 14 -4.551 1.189 5.287 1.00 0.00 C ATOM 154 O LEU A 14 -3.693 2.071 5.291 1.00 0.00 O ATOM 155 CB LEU A 14 -4.438 -1.229 4.656 1.00 0.00 C ATOM 156 CG LEU A 14 -3.679 -0.951 3.357 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.181 -0.919 3.612 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.023 -1.997 2.306 1.00 0.00 C ATOM 0 H LEU A 14 -5.578 -1.436 6.830 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.188 -0.242 6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.146 -2.214 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.503 -1.276 4.428 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.983 0.026 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.657 -0.720 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.951 -0.133 4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.859 -1.881 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.475 -1.785 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.747 -2.986 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.094 -1.971 2.103 1.00 0.00 H new ATOM 170 N VAL A 15 -5.794 1.392 4.860 1.00 0.00 N ATOM 171 CA VAL A 15 -6.229 2.691 4.363 1.00 0.00 C ATOM 172 C VAL A 15 -5.668 3.822 5.217 1.00 0.00 C ATOM 173 O VAL A 15 -5.140 4.804 4.695 1.00 0.00 O ATOM 174 CB VAL A 15 -7.766 2.795 4.338 1.00 0.00 C ATOM 175 CG1 VAL A 15 -8.200 4.249 4.219 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.337 1.966 3.198 1.00 0.00 C ATOM 0 H VAL A 15 -6.517 0.673 4.849 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.849 2.785 3.346 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.155 2.399 5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.289 4.304 4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.821 4.813 5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.802 4.673 3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.424 2.051 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.942 2.331 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.055 0.922 3.331 1.00 0.00 H new ATOM 186 N LYS A 16 -5.785 3.677 6.532 1.00 0.00 N ATOM 187 CA LYS A 16 -5.288 4.686 7.461 1.00 0.00 C ATOM 188 C LYS A 16 -3.807 4.964 7.219 1.00 0.00 C ATOM 189 O LYS A 16 -3.352 6.102 7.341 1.00 0.00 O ATOM 190 CB LYS A 16 -5.502 4.229 8.905 1.00 0.00 C ATOM 191 CG LYS A 16 -4.228 3.776 9.596 1.00 0.00 C ATOM 192 CD LYS A 16 -4.529 3.009 10.873 1.00 0.00 C ATOM 193 CE LYS A 16 -3.290 2.873 11.746 1.00 0.00 C ATOM 194 NZ LYS A 16 -3.619 2.324 13.091 1.00 0.00 N ATOM 0 H LYS A 16 -6.220 2.870 6.979 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.846 5.607 7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.943 5.047 9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.221 3.410 8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.650 3.146 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.611 4.644 9.829 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.314 3.521 11.430 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.910 2.019 10.623 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.568 2.221 11.254 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.815 3.848 11.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.750 2.246 13.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.288 2.959 13.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.049 1.383 12.986 1.00 0.00 H new ATOM 208 N ARG A 17 -3.062 3.919 6.876 1.00 0.00 N ATOM 209 CA ARG A 17 -1.633 4.052 6.617 1.00 0.00 C ATOM 210 C ARG A 17 -1.381 4.933 5.397 1.00 0.00 C ATOM 211 O ARG A 17 -0.668 5.934 5.478 1.00 0.00 O ATOM 212 CB ARG A 17 -1.001 2.675 6.404 1.00 0.00 C ATOM 213 CG ARG A 17 -1.365 1.665 7.480 1.00 0.00 C ATOM 214 CD ARG A 17 -0.315 0.571 7.595 1.00 0.00 C ATOM 215 NE ARG A 17 -0.255 0.008 8.941 1.00 0.00 N ATOM 216 CZ ARG A 17 -1.095 -0.918 9.389 1.00 0.00 C ATOM 217 NH1 ARG A 17 -2.053 -1.384 8.600 1.00 0.00 N ATOM 218 NH2 ARG A 17 -0.976 -1.381 10.627 1.00 0.00 N ATOM 0 H ARG A 17 -3.424 2.971 6.771 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.175 4.524 7.486 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.312 2.288 5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.083 2.783 6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.468 2.174 8.438 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.333 1.219 7.250 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.538 -0.221 6.880 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.661 0.976 7.328 1.00 0.00 H new ATOM 0 HE ARG A 17 0.472 0.345 9.572 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.146 -1.031 7.647 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.697 -2.095 8.946 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.239 -1.026 11.236 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.622 -2.092 10.970 1.00 0.00 H new ATOM 232 N VAL A 18 -1.969 4.554 4.267 1.00 0.00 N ATOM 233 CA VAL A 18 -1.809 5.309 3.031 1.00 0.00 C ATOM 234 C VAL A 18 -2.239 6.761 3.214 1.00 0.00 C ATOM 235 O VAL A 18 -1.833 7.639 2.452 1.00 0.00 O ATOM 236 CB VAL A 18 -2.624 4.685 1.882 1.00 0.00 C ATOM 237 CG1 VAL A 18 -1.997 3.375 1.432 1.00 0.00 C ATOM 238 CG2 VAL A 18 -4.070 4.476 2.308 1.00 0.00 C ATOM 0 H VAL A 18 -2.561 3.728 4.182 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.750 5.276 2.775 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.614 5.373 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.587 2.949 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.980 3.559 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.974 2.676 2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.632 4.035 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.103 3.808 3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.513 5.435 2.576 1.00 0.00 H new ATOM 248 N ILE A 19 -3.061 7.005 4.229 1.00 0.00 N ATOM 249 CA ILE A 19 -3.544 8.351 4.513 1.00 0.00 C ATOM 250 C ILE A 19 -2.537 9.130 5.351 1.00 0.00 C ATOM 251 O ILE A 19 -2.034 10.170 4.927 1.00 0.00 O ATOM 252 CB ILE A 19 -4.895 8.320 5.251 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.947 7.599 4.405 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.350 9.733 5.582 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.679 8.511 3.446 1.00 0.00 C ATOM 0 H ILE A 19 -3.406 6.289 4.868 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.676 8.849 3.552 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.770 7.772 6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.463 6.803 3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.671 7.125 5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.306 9.695 6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.608 10.214 6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.462 10.304 4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.409 7.933 2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.192 9.293 4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.965 8.966 2.760 1.00 0.00 H new ATOM 267 N GLU A 20 -2.247 8.619 6.545 1.00 0.00 N ATOM 268 CA GLU A 20 -1.298 9.268 7.442 1.00 0.00 C ATOM 269 C GLU A 20 0.111 9.236 6.859 1.00 0.00 C ATOM 270 O GLU A 20 0.968 10.035 7.235 1.00 0.00 O ATOM 271 CB GLU A 20 -1.311 8.587 8.812 1.00 0.00 C ATOM 272 CG GLU A 20 -2.688 8.106 9.240 1.00 0.00 C ATOM 273 CD GLU A 20 -3.130 8.707 10.560 1.00 0.00 C ATOM 274 OE1 GLU A 20 -2.319 8.713 11.510 1.00 0.00 O ATOM 275 OE2 GLU A 20 -4.288 9.169 10.645 1.00 0.00 O ATOM 0 H GLU A 20 -2.655 7.759 6.912 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.600 10.309 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.629 7.737 8.792 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.931 9.284 9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.414 8.360 8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.680 7.019 9.324 1.00 0.00 H new ATOM 282 N GLY A 21 0.345 8.305 5.939 1.00 0.00 N ATOM 283 CA GLY A 21 1.652 8.185 5.319 1.00 0.00 C ATOM 284 C GLY A 21 2.598 7.317 6.124 1.00 0.00 C ATOM 285 O GLY A 21 3.730 7.071 5.711 1.00 0.00 O ATOM 0 H GLY A 21 -0.348 7.631 5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.539 7.764 4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.087 9.177 5.200 1.00 0.00 H new ATOM 289 N SER A 22 2.132 6.850 7.278 1.00 0.00 N ATOM 290 CA SER A 22 2.946 6.007 8.147 1.00 0.00 C ATOM 291 C SER A 22 3.732 4.986 7.331 1.00 0.00 C ATOM 292 O SER A 22 4.775 4.495 7.767 1.00 0.00 O ATOM 293 CB SER A 22 2.064 5.290 9.170 1.00 0.00 C ATOM 294 OG SER A 22 2.813 4.345 9.916 1.00 0.00 O ATOM 0 H SER A 22 1.195 7.041 7.633 1.00 0.00 H new ATOM 0 HA SER A 22 3.653 6.647 8.674 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.618 6.020 9.845 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.244 4.786 8.658 1.00 0.00 H new ATOM 0 HG SER A 22 2.227 3.901 10.564 1.00 0.00 H new ATOM 300 N LEU A 23 3.226 4.670 6.144 1.00 0.00 N ATOM 301 CA LEU A 23 3.879 3.706 5.266 1.00 0.00 C ATOM 302 C LEU A 23 4.533 4.408 4.080 1.00 0.00 C ATOM 303 O LEU A 23 4.004 5.388 3.556 1.00 0.00 O ATOM 304 CB LEU A 23 2.867 2.673 4.766 1.00 0.00 C ATOM 305 CG LEU A 23 2.115 3.034 3.485 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.579 1.782 2.810 1.00 0.00 C ATOM 307 CD2 LEU A 23 0.983 4.006 3.787 1.00 0.00 C ATOM 0 H LEU A 23 2.365 5.068 5.768 1.00 0.00 H new ATOM 0 HA LEU A 23 4.655 3.197 5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.390 1.731 4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.136 2.499 5.556 1.00 0.00 H new ATOM 0 HG LEU A 23 2.812 3.520 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.047 2.059 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.408 1.121 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.897 1.267 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.459 4.252 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.287 3.547 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.392 4.916 4.225 1.00 0.00 H new ATOM 319 N SER A 24 5.687 3.897 3.659 1.00 0.00 N ATOM 320 CA SER A 24 6.413 4.475 2.535 1.00 0.00 C ATOM 321 C SER A 24 5.561 4.460 1.270 1.00 0.00 C ATOM 322 O SER A 24 4.562 3.747 1.172 1.00 0.00 O ATOM 323 CB SER A 24 7.716 3.710 2.295 1.00 0.00 C ATOM 324 OG SER A 24 8.841 4.490 2.659 1.00 0.00 O ATOM 0 H SER A 24 6.138 3.085 4.080 1.00 0.00 H new ATOM 0 HA SER A 24 6.647 5.511 2.781 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.709 2.785 2.871 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.789 3.430 1.244 1.00 0.00 H new ATOM 0 HG SER A 24 9.661 3.977 2.497 1.00 0.00 H new ATOM 330 N PRO A 25 5.963 5.266 0.276 1.00 0.00 N ATOM 331 CA PRO A 25 5.251 5.363 -1.002 1.00 0.00 C ATOM 332 C PRO A 25 5.390 4.098 -1.841 1.00 0.00 C ATOM 333 O PRO A 25 4.485 3.738 -2.594 1.00 0.00 O ATOM 334 CB PRO A 25 5.933 6.544 -1.697 1.00 0.00 C ATOM 335 CG PRO A 25 7.296 6.600 -1.102 1.00 0.00 C ATOM 336 CD PRO A 25 7.144 6.144 0.323 1.00 0.00 C ATOM 0 HA PRO A 25 4.178 5.494 -0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.978 6.396 -2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.388 7.472 -1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.986 5.956 -1.646 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.701 7.611 -1.147 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.028 5.610 0.670 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.993 6.985 1.000 1.00 0.00 H new ATOM 344 N LYS A 26 6.527 3.425 -1.704 1.00 0.00 N ATOM 345 CA LYS A 26 6.785 2.197 -2.448 1.00 0.00 C ATOM 346 C LYS A 26 6.025 1.024 -1.840 1.00 0.00 C ATOM 347 O LYS A 26 5.537 0.150 -2.557 1.00 0.00 O ATOM 348 CB LYS A 26 8.284 1.893 -2.467 1.00 0.00 C ATOM 349 CG LYS A 26 8.688 0.897 -3.541 1.00 0.00 C ATOM 350 CD LYS A 26 9.162 1.599 -4.803 1.00 0.00 C ATOM 351 CE LYS A 26 10.332 0.868 -5.441 1.00 0.00 C ATOM 352 NZ LYS A 26 10.542 1.284 -6.856 1.00 0.00 N ATOM 0 H LYS A 26 7.286 3.709 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 26 6.438 2.341 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.833 2.822 -2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.580 1.504 -1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.482 0.253 -3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.841 0.253 -3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.340 1.663 -5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.457 2.621 -4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.238 1.063 -4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.154 -0.207 -5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.349 0.763 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.687 1.075 -7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.737 2.305 -6.892 1.00 0.00 H new ATOM 366 N GLU A 27 5.927 1.010 -0.514 1.00 0.00 N ATOM 367 CA GLU A 27 5.225 -0.057 0.190 1.00 0.00 C ATOM 368 C GLU A 27 3.838 -0.281 -0.405 1.00 0.00 C ATOM 369 O GLU A 27 3.398 -1.418 -0.570 1.00 0.00 O ATOM 370 CB GLU A 27 5.106 0.276 1.678 1.00 0.00 C ATOM 371 CG GLU A 27 5.994 -0.580 2.565 1.00 0.00 C ATOM 372 CD GLU A 27 5.328 -1.877 2.982 1.00 0.00 C ATOM 373 OE1 GLU A 27 4.418 -1.830 3.836 1.00 0.00 O ATOM 374 OE2 GLU A 27 5.716 -2.939 2.452 1.00 0.00 O ATOM 0 H GLU A 27 6.325 1.726 0.094 1.00 0.00 H new ATOM 0 HA GLU A 27 5.803 -0.974 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.360 1.325 1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.068 0.151 1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.920 -0.805 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.266 -0.013 3.455 1.00 0.00 H new ATOM 381 N ARG A 28 3.155 0.813 -0.726 1.00 0.00 N ATOM 382 CA ARG A 28 1.818 0.738 -1.301 1.00 0.00 C ATOM 383 C ARG A 28 1.807 -0.157 -2.537 1.00 0.00 C ATOM 384 O ARG A 28 1.087 -1.155 -2.589 1.00 0.00 O ATOM 385 CB ARG A 28 1.316 2.136 -1.666 1.00 0.00 C ATOM 386 CG ARG A 28 0.856 2.951 -0.468 1.00 0.00 C ATOM 387 CD ARG A 28 0.153 4.229 -0.900 1.00 0.00 C ATOM 388 NE ARG A 28 -1.007 3.955 -1.744 1.00 0.00 N ATOM 389 CZ ARG A 28 -1.840 4.897 -2.175 1.00 0.00 C ATOM 390 NH1 ARG A 28 -1.641 6.165 -1.845 1.00 0.00 N ATOM 391 NH2 ARG A 28 -2.873 4.570 -2.941 1.00 0.00 N ATOM 0 H ARG A 28 3.506 1.762 -0.597 1.00 0.00 H new ATOM 0 HA ARG A 28 1.153 0.305 -0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.112 2.676 -2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.489 2.043 -2.371 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.181 2.352 0.143 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.715 3.200 0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.164 4.785 -0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.854 4.863 -1.442 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.188 2.989 -2.017 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.847 6.421 -1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.282 6.885 -2.178 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.028 3.596 -3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.512 5.293 -3.271 1.00 0.00 H new ATOM 405 N THR A 29 2.609 0.208 -3.532 1.00 0.00 N ATOM 406 CA THR A 29 2.691 -0.561 -4.768 1.00 0.00 C ATOM 407 C THR A 29 3.016 -2.023 -4.487 1.00 0.00 C ATOM 408 O THR A 29 2.582 -2.917 -5.214 1.00 0.00 O ATOM 409 CB THR A 29 3.757 0.017 -5.719 1.00 0.00 C ATOM 410 OG1 THR A 29 3.271 1.219 -6.328 1.00 0.00 O ATOM 411 CG2 THR A 29 4.123 -0.991 -6.797 1.00 0.00 C ATOM 0 H THR A 29 3.211 1.031 -3.506 1.00 0.00 H new ATOM 0 HA THR A 29 1.714 -0.495 -5.246 1.00 0.00 H new ATOM 0 HB THR A 29 4.650 0.242 -5.135 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.955 1.581 -6.929 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.877 -0.561 -7.456 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.520 -1.893 -6.332 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.235 -1.242 -7.377 1.00 0.00 H new ATOM 419 N LEU A 30 3.782 -2.261 -3.427 1.00 0.00 N ATOM 420 CA LEU A 30 4.165 -3.616 -3.048 1.00 0.00 C ATOM 421 C LEU A 30 2.969 -4.385 -2.496 1.00 0.00 C ATOM 422 O LEU A 30 2.903 -5.610 -2.602 1.00 0.00 O ATOM 423 CB LEU A 30 5.287 -3.578 -2.010 1.00 0.00 C ATOM 424 CG LEU A 30 6.575 -2.874 -2.437 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.515 -2.713 -1.252 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.256 -3.643 -3.560 1.00 0.00 C ATOM 0 H LEU A 30 4.150 -1.532 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 30 4.523 -4.130 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.909 -3.087 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.532 -4.603 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 30 6.318 -1.881 -2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.426 -2.210 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.028 -2.119 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.766 -3.695 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.171 -3.127 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.500 -4.649 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.586 -3.705 -4.417 1.00 0.00 H new ATOM 438 N LEU A 31 2.026 -3.659 -1.907 1.00 0.00 N ATOM 439 CA LEU A 31 0.831 -4.272 -1.339 1.00 0.00 C ATOM 440 C LEU A 31 0.187 -5.234 -2.333 1.00 0.00 C ATOM 441 O LEU A 31 -0.247 -6.325 -1.965 1.00 0.00 O ATOM 442 CB LEU A 31 -0.175 -3.194 -0.930 1.00 0.00 C ATOM 443 CG LEU A 31 0.296 -2.207 0.138 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.683 -1.050 0.265 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.468 -2.911 1.476 1.00 0.00 C ATOM 0 H LEU A 31 2.066 -2.644 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 31 1.128 -4.837 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.454 -2.630 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.078 -3.686 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 31 1.263 -1.806 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.331 -0.358 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.756 -0.529 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.664 -1.433 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.804 -2.193 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.485 -3.340 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.208 -3.705 1.377 1.00 0.00 H new ATOM 457 N LYS A 32 0.132 -4.821 -3.595 1.00 0.00 N ATOM 458 CA LYS A 32 -0.455 -5.647 -4.643 1.00 0.00 C ATOM 459 C LYS A 32 0.271 -6.985 -4.753 1.00 0.00 C ATOM 460 O LYS A 32 -0.346 -8.014 -5.027 1.00 0.00 O ATOM 461 CB LYS A 32 -0.403 -4.915 -5.987 1.00 0.00 C ATOM 462 CG LYS A 32 -0.871 -3.472 -5.911 1.00 0.00 C ATOM 463 CD LYS A 32 -1.798 -3.125 -7.064 1.00 0.00 C ATOM 464 CE LYS A 32 -2.329 -1.705 -6.944 1.00 0.00 C ATOM 465 NZ LYS A 32 -1.989 -0.883 -8.138 1.00 0.00 N ATOM 0 H LYS A 32 0.486 -3.920 -3.916 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.495 -5.839 -4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.619 -4.937 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.021 -5.451 -6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.387 -3.305 -4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.007 -2.807 -5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.264 -3.236 -8.008 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.632 -3.826 -7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.411 -1.731 -6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.915 -1.237 -6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.368 0.078 -8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.956 -0.836 -8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.405 -1.316 -8.987 1.00 0.00 H new ATOM 479 N GLU A 33 1.581 -6.961 -4.537 1.00 0.00 N ATOM 480 CA GLU A 33 2.390 -8.173 -4.612 1.00 0.00 C ATOM 481 C GLU A 33 2.059 -9.119 -3.461 1.00 0.00 C ATOM 482 O GLU A 33 2.442 -10.288 -3.475 1.00 0.00 O ATOM 483 CB GLU A 33 3.879 -7.822 -4.588 1.00 0.00 C ATOM 484 CG GLU A 33 4.289 -6.836 -5.668 1.00 0.00 C ATOM 485 CD GLU A 33 5.777 -6.879 -5.963 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.281 -7.968 -6.307 1.00 0.00 O ATOM 487 OE2 GLU A 33 6.434 -5.824 -5.850 1.00 0.00 O ATOM 0 H GLU A 33 2.106 -6.117 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 33 2.159 -8.676 -5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.130 -7.405 -3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.461 -8.736 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.735 -7.052 -6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.013 -5.828 -5.358 1.00 0.00 H new ATOM 494 N ASP A 34 1.348 -8.602 -2.465 1.00 0.00 N ATOM 495 CA ASP A 34 0.965 -9.399 -1.305 1.00 0.00 C ATOM 496 C ASP A 34 -0.410 -10.027 -1.506 1.00 0.00 C ATOM 497 O ASP A 34 -1.310 -9.433 -2.101 1.00 0.00 O ATOM 498 CB ASP A 34 0.965 -8.535 -0.043 1.00 0.00 C ATOM 499 CG ASP A 34 1.556 -9.256 1.152 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.712 -9.719 1.055 1.00 0.00 O ATOM 501 OD2 ASP A 34 0.862 -9.355 2.187 1.00 0.00 O ATOM 0 H ASP A 34 1.025 -7.635 -2.437 1.00 0.00 H new ATOM 0 HA ASP A 34 1.696 -10.199 -1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.532 -7.623 -0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.057 -8.233 0.187 1.00 0.00 H new ATOM 506 N PRO A 35 -0.580 -11.257 -1.001 1.00 0.00 N ATOM 507 CA PRO A 35 -1.842 -11.993 -1.113 1.00 0.00 C ATOM 508 C PRO A 35 -2.947 -11.383 -0.258 1.00 0.00 C ATOM 509 O PRO A 35 -4.122 -11.426 -0.620 1.00 0.00 O ATOM 510 CB PRO A 35 -1.484 -13.392 -0.608 1.00 0.00 C ATOM 511 CG PRO A 35 -0.320 -13.182 0.297 1.00 0.00 C ATOM 512 CD PRO A 35 0.450 -12.026 -0.280 1.00 0.00 C ATOM 0 HA PRO A 35 -2.232 -11.980 -2.131 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.320 -13.847 -0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.229 -14.057 -1.433 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.650 -12.963 1.313 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.300 -14.077 0.349 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.925 -11.430 0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.241 -12.364 -0.949 1.00 0.00 H new ATOM 520 N ALA A 36 -2.561 -10.815 0.881 1.00 0.00 N ATOM 521 CA ALA A 36 -3.519 -10.194 1.787 1.00 0.00 C ATOM 522 C ALA A 36 -4.292 -9.079 1.090 1.00 0.00 C ATOM 523 O ALA A 36 -5.431 -8.780 1.451 1.00 0.00 O ATOM 524 CB ALA A 36 -2.807 -9.655 3.019 1.00 0.00 C ATOM 0 H ALA A 36 -1.592 -10.773 1.197 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.234 -10.956 2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.534 -9.194 3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.306 -10.473 3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.070 -8.911 2.717 1.00 0.00 H new ATOM 530 N TYR A 37 -3.666 -8.466 0.092 1.00 0.00 N ATOM 531 CA TYR A 37 -4.293 -7.382 -0.653 1.00 0.00 C ATOM 532 C TYR A 37 -4.579 -7.804 -2.091 1.00 0.00 C ATOM 533 O TYR A 37 -4.213 -7.108 -3.039 1.00 0.00 O ATOM 534 CB TYR A 37 -3.397 -6.141 -0.643 1.00 0.00 C ATOM 535 CG TYR A 37 -2.863 -5.794 0.728 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.697 -5.272 1.709 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.523 -5.984 1.041 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.213 -4.952 2.963 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.029 -5.668 2.293 1.00 0.00 C ATOM 540 CZ TYR A 37 -1.878 -5.151 3.249 1.00 0.00 C ATOM 541 OH TYR A 37 -1.390 -4.834 4.497 1.00 0.00 O ATOM 0 H TYR A 37 -2.724 -8.702 -0.220 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.239 -7.142 -0.168 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.559 -6.302 -1.321 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.961 -5.292 -1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.742 -5.114 1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.855 -6.386 0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.875 -4.549 3.715 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.015 -5.825 2.521 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.432 -5.035 4.534 1.00 0.00 H new ATOM 551 N TRP A 38 -5.236 -8.947 -2.245 1.00 0.00 N ATOM 552 CA TRP A 38 -5.573 -9.463 -3.567 1.00 0.00 C ATOM 553 C TRP A 38 -6.761 -8.712 -4.158 1.00 0.00 C ATOM 554 O TRP A 38 -6.865 -8.551 -5.374 1.00 0.00 O ATOM 555 CB TRP A 38 -5.887 -10.958 -3.489 1.00 0.00 C ATOM 556 CG TRP A 38 -7.086 -11.271 -2.645 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.088 -11.827 -1.399 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.458 -11.046 -2.989 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.378 -11.961 -0.946 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.238 -11.489 -1.902 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.104 -10.510 -4.107 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.628 -11.414 -1.904 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.483 -10.438 -4.107 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.234 -10.886 -3.012 1.00 0.00 C ATOM 0 H TRP A 38 -5.546 -9.535 -1.471 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.712 -9.313 -4.218 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.051 -11.340 -4.496 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.021 -11.483 -3.086 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.205 -12.119 -0.850 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.651 -12.349 -0.043 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.535 -10.159 -4.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.208 -11.760 -1.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -10.992 -10.029 -4.967 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.311 -10.813 -3.043 1.00 0.00 H new ATOM 575 N PHE A 39 -7.656 -8.252 -3.290 1.00 0.00 N ATOM 576 CA PHE A 39 -8.839 -7.518 -3.726 1.00 0.00 C ATOM 577 C PHE A 39 -8.444 -6.252 -4.482 1.00 0.00 C ATOM 578 O PHE A 39 -9.191 -5.764 -5.331 1.00 0.00 O ATOM 579 CB PHE A 39 -9.713 -7.155 -2.524 1.00 0.00 C ATOM 580 CG PHE A 39 -8.993 -6.351 -1.480 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.772 -4.995 -1.662 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.537 -6.949 -0.317 1.00 0.00 C ATOM 583 CE1 PHE A 39 -8.110 -4.251 -0.703 1.00 0.00 C ATOM 584 CE2 PHE A 39 -7.876 -6.210 0.646 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.661 -4.860 0.451 1.00 0.00 C ATOM 0 H PHE A 39 -7.585 -8.374 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.407 -8.161 -4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.579 -6.592 -2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.090 -8.071 -2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.121 -4.514 -2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.700 -8.005 -0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.945 -3.195 -0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.528 -6.688 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.142 -4.281 1.201 1.00 0.00 H new ATOM 595 N LEU A 40 -7.267 -5.725 -4.166 1.00 0.00 N ATOM 596 CA LEU A 40 -6.771 -4.516 -4.815 1.00 0.00 C ATOM 597 C LEU A 40 -7.038 -4.554 -6.316 1.00 0.00 C ATOM 598 O LEU A 40 -7.508 -3.577 -6.899 1.00 0.00 O ATOM 599 CB LEU A 40 -5.273 -4.351 -4.555 1.00 0.00 C ATOM 600 CG LEU A 40 -4.879 -3.928 -3.140 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.372 -4.011 -2.957 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.375 -2.519 -2.847 1.00 0.00 C ATOM 0 H LEU A 40 -6.638 -6.115 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.302 -3.663 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.779 -5.296 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.882 -3.613 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.349 -4.613 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.111 -3.706 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.041 -5.036 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.882 -3.350 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.086 -2.234 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.934 -1.822 -3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.461 -2.490 -2.935 1.00 0.00 H new ATOM 614 N SER A 41 -6.737 -5.690 -6.937 1.00 0.00 N ATOM 615 CA SER A 41 -6.942 -5.856 -8.370 1.00 0.00 C ATOM 616 C SER A 41 -8.430 -5.889 -8.705 1.00 0.00 C ATOM 617 O SER A 41 -8.867 -5.305 -9.696 1.00 0.00 O ATOM 618 CB SER A 41 -6.269 -7.141 -8.858 1.00 0.00 C ATOM 619 OG SER A 41 -5.282 -6.859 -9.836 1.00 0.00 O ATOM 0 H SER A 41 -6.350 -6.510 -6.469 1.00 0.00 H new ATOM 0 HA SER A 41 -6.491 -5.003 -8.878 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.813 -7.659 -8.015 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.019 -7.812 -9.276 1.00 0.00 H new ATOM 0 HG SER A 41 -4.865 -7.696 -10.131 1.00 0.00 H new ATOM 625 N ASP A 42 -9.202 -6.578 -7.872 1.00 0.00 N ATOM 626 CA ASP A 42 -10.642 -6.688 -8.077 1.00 0.00 C ATOM 627 C ASP A 42 -11.341 -5.377 -7.733 1.00 0.00 C ATOM 628 O ASP A 42 -10.813 -4.560 -6.981 1.00 0.00 O ATOM 629 CB ASP A 42 -11.214 -7.824 -7.229 1.00 0.00 C ATOM 630 CG ASP A 42 -12.513 -8.368 -7.791 1.00 0.00 C ATOM 631 OD1 ASP A 42 -12.456 -9.250 -8.674 1.00 0.00 O ATOM 632 OD2 ASP A 42 -13.588 -7.913 -7.347 1.00 0.00 O ATOM 0 H ASP A 42 -8.855 -7.069 -7.048 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.819 -6.907 -9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.483 -8.630 -7.166 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.382 -7.466 -6.213 1.00 0.00 H new ATOM 637 N GLU A 43 -12.533 -5.184 -8.291 1.00 0.00 N ATOM 638 CA GLU A 43 -13.303 -3.971 -8.043 1.00 0.00 C ATOM 639 C GLU A 43 -14.707 -4.308 -7.548 1.00 0.00 C ATOM 640 O GLU A 43 -15.254 -3.623 -6.686 1.00 0.00 O ATOM 641 CB GLU A 43 -13.389 -3.126 -9.316 1.00 0.00 C ATOM 642 CG GLU A 43 -12.166 -2.258 -9.555 1.00 0.00 C ATOM 643 CD GLU A 43 -12.474 -1.033 -10.394 1.00 0.00 C ATOM 644 OE1 GLU A 43 -13.595 -0.496 -10.272 1.00 0.00 O ATOM 645 OE2 GLU A 43 -11.593 -0.611 -11.173 1.00 0.00 O ATOM 0 H GLU A 43 -12.985 -5.851 -8.916 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.791 -3.399 -7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.528 -3.787 -10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.271 -2.488 -9.260 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.756 -1.943 -8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.397 -2.850 -10.051 1.00 0.00 H new ATOM 652 N ASN A 44 -15.283 -5.371 -8.101 1.00 0.00 N ATOM 653 CA ASN A 44 -16.622 -5.801 -7.717 1.00 0.00 C ATOM 654 C ASN A 44 -16.578 -6.665 -6.460 1.00 0.00 C ATOM 655 O ASN A 44 -17.163 -7.747 -6.417 1.00 0.00 O ATOM 656 CB ASN A 44 -17.279 -6.577 -8.860 1.00 0.00 C ATOM 657 CG ASN A 44 -18.786 -6.414 -8.879 1.00 0.00 C ATOM 658 OD1 ASN A 44 -19.336 -5.541 -8.207 1.00 0.00 O ATOM 659 ND2 ASN A 44 -19.462 -7.256 -9.652 1.00 0.00 N ATOM 0 H ASN A 44 -14.843 -5.950 -8.816 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.214 -4.911 -7.503 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.868 -6.236 -9.810 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -17.032 -7.635 -8.766 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.479 -7.195 -9.706 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -18.965 -7.964 -10.192 1.00 0.00 H new ATOM 666 N SER A 45 -15.879 -6.179 -5.439 1.00 0.00 N ATOM 667 CA SER A 45 -15.755 -6.908 -4.182 1.00 0.00 C ATOM 668 C SER A 45 -16.024 -5.990 -2.994 1.00 0.00 C ATOM 669 O SER A 45 -16.272 -4.795 -3.161 1.00 0.00 O ATOM 670 CB SER A 45 -14.359 -7.521 -4.060 1.00 0.00 C ATOM 671 OG SER A 45 -13.356 -6.522 -4.104 1.00 0.00 O ATOM 0 H SER A 45 -15.390 -5.284 -5.458 1.00 0.00 H new ATOM 0 HA SER A 45 -16.497 -7.707 -4.178 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.283 -8.076 -3.125 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.201 -8.235 -4.868 1.00 0.00 H new ATOM 0 HG SER A 45 -12.474 -6.941 -4.022 1.00 0.00 H new ATOM 677 N LEU A 46 -15.976 -6.558 -1.793 1.00 0.00 N ATOM 678 CA LEU A 46 -16.215 -5.792 -0.575 1.00 0.00 C ATOM 679 C LEU A 46 -14.907 -5.249 -0.008 1.00 0.00 C ATOM 680 O LEU A 46 -14.824 -4.083 0.377 1.00 0.00 O ATOM 681 CB LEU A 46 -16.913 -6.665 0.470 1.00 0.00 C ATOM 682 CG LEU A 46 -16.610 -6.334 1.932 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.279 -6.939 2.351 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.605 -4.827 2.147 1.00 0.00 C ATOM 0 H LEU A 46 -15.774 -7.546 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.859 -4.949 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.990 -6.589 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.637 -7.704 0.289 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.394 -6.767 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -15.080 -6.693 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.319 -8.022 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.483 -6.536 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.388 -4.609 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.842 -4.372 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.582 -4.419 1.887 1.00 0.00 H new ATOM 696 N GLU A 47 -13.888 -6.100 0.037 1.00 0.00 N ATOM 697 CA GLU A 47 -12.584 -5.704 0.556 1.00 0.00 C ATOM 698 C GLU A 47 -12.007 -4.544 -0.252 1.00 0.00 C ATOM 699 O GLU A 47 -11.262 -3.718 0.275 1.00 0.00 O ATOM 700 CB GLU A 47 -11.618 -6.889 0.528 1.00 0.00 C ATOM 701 CG GLU A 47 -11.925 -7.950 1.572 1.00 0.00 C ATOM 702 CD GLU A 47 -10.997 -7.877 2.769 1.00 0.00 C ATOM 703 OE1 GLU A 47 -9.770 -8.011 2.578 1.00 0.00 O ATOM 704 OE2 GLU A 47 -11.498 -7.686 3.896 1.00 0.00 O ATOM 0 H GLU A 47 -13.940 -7.068 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.716 -5.377 1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.646 -7.346 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.603 -6.523 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.955 -7.836 1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.846 -8.937 1.116 1.00 0.00 H new ATOM 711 N TYR A 48 -12.357 -4.492 -1.532 1.00 0.00 N ATOM 712 CA TYR A 48 -11.872 -3.435 -2.414 1.00 0.00 C ATOM 713 C TYR A 48 -12.711 -2.170 -2.260 1.00 0.00 C ATOM 714 O TYR A 48 -12.230 -1.060 -2.491 1.00 0.00 O ATOM 715 CB TYR A 48 -11.900 -3.905 -3.869 1.00 0.00 C ATOM 716 CG TYR A 48 -11.491 -2.836 -4.858 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.417 -1.925 -5.348 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.177 -2.739 -5.301 1.00 0.00 C ATOM 719 CE1 TYR A 48 -12.047 -0.948 -6.253 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.799 -1.764 -6.204 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.737 -0.871 -6.676 1.00 0.00 C ATOM 722 OH TYR A 48 -10.364 0.100 -7.576 1.00 0.00 O ATOM 0 H TYR A 48 -12.974 -5.168 -1.983 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.844 -3.204 -2.133 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.236 -4.762 -3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.906 -4.248 -4.112 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.443 -1.981 -5.017 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.440 -3.437 -4.933 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.780 -0.249 -6.627 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.774 -1.702 -6.538 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.407 0.017 -7.769 1.00 0.00 H new ATOM 732 N LYS A 49 -13.968 -2.345 -1.865 1.00 0.00 N ATOM 733 CA LYS A 49 -14.874 -1.219 -1.677 1.00 0.00 C ATOM 734 C LYS A 49 -14.369 -0.290 -0.578 1.00 0.00 C ATOM 735 O LYS A 49 -14.599 0.919 -0.619 1.00 0.00 O ATOM 736 CB LYS A 49 -16.279 -1.721 -1.331 1.00 0.00 C ATOM 737 CG LYS A 49 -17.305 -1.456 -2.418 1.00 0.00 C ATOM 738 CD LYS A 49 -18.299 -2.599 -2.536 1.00 0.00 C ATOM 739 CE LYS A 49 -18.554 -2.968 -3.989 1.00 0.00 C ATOM 740 NZ LYS A 49 -19.894 -3.591 -4.176 1.00 0.00 N ATOM 0 H LYS A 49 -14.382 -3.256 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.914 -0.658 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.235 -2.793 -1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.609 -1.244 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.838 -0.530 -2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.797 -1.314 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.920 -3.469 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.238 -2.316 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.479 -2.075 -4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.782 -3.658 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.030 -3.828 -5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.957 -4.457 -3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.632 -2.923 -3.875 1.00 0.00 H new ATOM 754 N TYR A 50 -13.678 -0.862 0.401 1.00 0.00 N ATOM 755 CA TYR A 50 -13.141 -0.085 1.512 1.00 0.00 C ATOM 756 C TYR A 50 -11.870 0.652 1.098 1.00 0.00 C ATOM 757 O TYR A 50 -11.811 1.881 1.140 1.00 0.00 O ATOM 758 CB TYR A 50 -12.848 -0.997 2.705 1.00 0.00 C ATOM 759 CG TYR A 50 -14.084 -1.402 3.476 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.220 -1.856 2.817 1.00 0.00 C ATOM 761 CD2 TYR A 50 -14.116 -1.333 4.863 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.352 -2.228 3.515 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.243 -1.703 5.571 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.359 -2.149 4.893 1.00 0.00 C ATOM 765 OH TYR A 50 -17.484 -2.519 5.594 1.00 0.00 O ATOM 0 H TYR A 50 -13.476 -1.861 0.448 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.890 0.653 1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.341 -1.894 2.350 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.160 -0.488 3.380 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.218 -1.919 1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.245 -0.984 5.397 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.226 -2.578 2.986 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.251 -1.644 6.649 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.324 -2.405 6.554 1.00 0.00 H new ATOM 775 N TYR A 51 -10.858 -0.108 0.695 1.00 0.00 N ATOM 776 CA TYR A 51 -9.589 0.471 0.274 1.00 0.00 C ATOM 777 C TYR A 51 -9.813 1.720 -0.572 1.00 0.00 C ATOM 778 O TYR A 51 -9.029 2.668 -0.523 1.00 0.00 O ATOM 779 CB TYR A 51 -8.774 -0.555 -0.517 1.00 0.00 C ATOM 780 CG TYR A 51 -7.510 0.012 -1.121 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.442 0.392 -0.317 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.382 0.171 -2.495 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.284 0.911 -0.864 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.228 0.687 -3.051 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.181 1.056 -2.232 1.00 0.00 C ATOM 786 OH TYR A 51 -4.031 1.573 -2.781 1.00 0.00 O ATOM 0 H TYR A 51 -10.892 -1.126 0.651 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.034 0.755 1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.512 -1.384 0.141 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.395 -0.964 -1.313 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.518 0.280 0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.200 -0.114 -3.140 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.464 1.202 -0.224 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.146 0.801 -4.122 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.121 1.608 -3.756 1.00 0.00 H new ATOM 796 N LYS A 52 -10.892 1.714 -1.350 1.00 0.00 N ATOM 797 CA LYS A 52 -11.224 2.846 -2.207 1.00 0.00 C ATOM 798 C LYS A 52 -12.107 3.847 -1.468 1.00 0.00 C ATOM 799 O LYS A 52 -11.952 5.059 -1.623 1.00 0.00 O ATOM 800 CB LYS A 52 -11.933 2.361 -3.473 1.00 0.00 C ATOM 801 CG LYS A 52 -11.011 1.664 -4.458 1.00 0.00 C ATOM 802 CD LYS A 52 -10.065 2.646 -5.129 1.00 0.00 C ATOM 803 CE LYS A 52 -10.779 3.473 -6.187 1.00 0.00 C ATOM 804 NZ LYS A 52 -9.989 4.672 -6.580 1.00 0.00 N ATOM 0 H LYS A 52 -11.551 0.937 -1.404 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.296 3.344 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.734 1.677 -3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.400 3.213 -3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.434 0.899 -3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.606 1.155 -5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.633 3.308 -4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.239 2.102 -5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.964 2.856 -7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.751 3.787 -5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.509 5.209 -7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.834 5.274 -5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.071 4.372 -6.966 1.00 0.00 H new ATOM 818 N LEU A 53 -13.030 3.333 -0.663 1.00 0.00 N ATOM 819 CA LEU A 53 -13.937 4.183 0.101 1.00 0.00 C ATOM 820 C LEU A 53 -13.228 4.788 1.308 1.00 0.00 C ATOM 821 O LEU A 53 -12.961 5.989 1.348 1.00 0.00 O ATOM 822 CB LEU A 53 -15.155 3.379 0.561 1.00 0.00 C ATOM 823 CG LEU A 53 -16.031 4.038 1.626 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.581 3.622 3.018 1.00 0.00 C ATOM 825 CD2 LEU A 53 -15.996 5.553 1.483 1.00 0.00 C ATOM 0 H LEU A 53 -13.170 2.333 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.268 4.994 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.775 3.166 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.808 2.421 0.947 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.058 3.703 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.216 4.101 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.658 2.539 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.546 3.928 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.625 6.005 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.971 5.906 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.366 5.834 0.497 1.00 0.00 H new ATOM 837 N LYS A 54 -12.923 3.947 2.291 1.00 0.00 N ATOM 838 CA LYS A 54 -12.241 4.397 3.499 1.00 0.00 C ATOM 839 C LYS A 54 -11.099 5.349 3.157 1.00 0.00 C ATOM 840 O LYS A 54 -10.738 6.214 3.956 1.00 0.00 O ATOM 841 CB LYS A 54 -11.704 3.198 4.282 1.00 0.00 C ATOM 842 CG LYS A 54 -11.690 3.410 5.787 1.00 0.00 C ATOM 843 CD LYS A 54 -13.015 3.013 6.417 1.00 0.00 C ATOM 844 CE LYS A 54 -13.039 3.322 7.906 1.00 0.00 C ATOM 845 NZ LYS A 54 -13.707 2.245 8.686 1.00 0.00 N ATOM 0 H LYS A 54 -13.137 2.950 2.275 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.963 4.932 4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.312 2.323 4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.691 2.979 3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.885 2.824 6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.481 4.457 6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.828 3.543 5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.188 1.948 6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.018 3.451 8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.558 4.266 8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.702 2.494 9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.689 2.138 8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.197 1.349 8.548 1.00 0.00 H new ATOM 859 N LEU A 55 -10.535 5.184 1.965 1.00 0.00 N ATOM 860 CA LEU A 55 -9.435 6.030 1.517 1.00 0.00 C ATOM 861 C LEU A 55 -9.941 7.405 1.096 1.00 0.00 C ATOM 862 O LEU A 55 -9.353 8.428 1.445 1.00 0.00 O ATOM 863 CB LEU A 55 -8.698 5.366 0.353 1.00 0.00 C ATOM 864 CG LEU A 55 -7.472 6.111 -0.178 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.392 6.190 0.890 1.00 0.00 C ATOM 866 CD2 LEU A 55 -6.937 5.433 -1.431 1.00 0.00 C ATOM 0 H LEU A 55 -10.821 4.473 1.292 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.745 6.158 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.385 4.370 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.402 5.234 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.772 7.126 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.528 6.723 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.779 6.721 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.095 5.183 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.065 5.977 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.653 4.407 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.709 5.429 -2.200 1.00 0.00 H new ATOM 878 N ALA A 56 -11.038 7.422 0.345 1.00 0.00 N ATOM 879 CA ALA A 56 -11.626 8.671 -0.121 1.00 0.00 C ATOM 880 C ALA A 56 -12.113 9.518 1.050 1.00 0.00 C ATOM 881 O ALA A 56 -11.877 10.725 1.094 1.00 0.00 O ATOM 882 CB ALA A 56 -12.772 8.390 -1.081 1.00 0.00 C ATOM 0 H ALA A 56 -11.537 6.584 0.047 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.854 9.232 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.201 9.332 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.399 7.831 -1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.538 7.805 -0.572 1.00 0.00 H new ATOM 888 N GLU A 57 -12.791 8.878 1.997 1.00 0.00 N ATOM 889 CA GLU A 57 -13.312 9.575 3.167 1.00 0.00 C ATOM 890 C GLU A 57 -12.179 9.987 4.103 1.00 0.00 C ATOM 891 O GLU A 57 -12.225 11.052 4.719 1.00 0.00 O ATOM 892 CB GLU A 57 -14.309 8.688 3.916 1.00 0.00 C ATOM 893 CG GLU A 57 -13.725 7.355 4.357 1.00 0.00 C ATOM 894 CD GLU A 57 -14.475 6.749 5.527 1.00 0.00 C ATOM 895 OE1 GLU A 57 -15.613 6.276 5.321 1.00 0.00 O ATOM 896 OE2 GLU A 57 -13.927 6.749 6.648 1.00 0.00 O ATOM 0 H GLU A 57 -12.992 7.878 1.977 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.824 10.474 2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.672 9.224 4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.171 8.503 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.744 6.659 3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.680 7.494 4.633 1.00 0.00 H new ATOM 903 N MET A 58 -11.164 9.136 4.205 1.00 0.00 N ATOM 904 CA MET A 58 -10.018 9.411 5.065 1.00 0.00 C ATOM 905 C MET A 58 -9.127 10.488 4.454 1.00 0.00 C ATOM 906 O MET A 58 -8.413 11.192 5.167 1.00 0.00 O ATOM 907 CB MET A 58 -9.210 8.133 5.298 1.00 0.00 C ATOM 908 CG MET A 58 -9.883 7.152 6.244 1.00 0.00 C ATOM 909 SD MET A 58 -9.564 7.528 7.979 1.00 0.00 S ATOM 910 CE MET A 58 -7.862 6.993 8.133 1.00 0.00 C ATOM 0 H MET A 58 -11.111 8.250 3.703 1.00 0.00 H new ATOM 0 HA MET A 58 -10.391 9.774 6.022 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.038 7.642 4.340 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.232 8.399 5.699 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.958 7.162 6.066 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.533 6.143 6.025 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.491 7.242 9.127 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.805 5.915 7.984 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.253 7.496 7.382 1.00 0.00 H new ATOM 920 N GLN A 59 -9.173 10.608 3.131 1.00 0.00 N ATOM 921 CA GLN A 59 -8.368 11.597 2.426 1.00 0.00 C ATOM 922 C GLN A 59 -8.901 13.005 2.668 1.00 0.00 C ATOM 923 O GLN A 59 -8.144 13.917 3.002 1.00 0.00 O ATOM 924 CB GLN A 59 -8.350 11.296 0.926 1.00 0.00 C ATOM 925 CG GLN A 59 -7.197 10.403 0.499 1.00 0.00 C ATOM 926 CD GLN A 59 -6.547 10.865 -0.790 1.00 0.00 C ATOM 927 OE1 GLN A 59 -6.002 11.967 -0.864 1.00 0.00 O ATOM 928 NE2 GLN A 59 -6.600 10.023 -1.816 1.00 0.00 N ATOM 0 H GLN A 59 -9.759 10.032 2.526 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.350 11.542 2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.290 10.819 0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.294 12.235 0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.448 10.379 1.291 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.560 9.383 0.373 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.062 9.120 -1.711 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.179 10.280 -2.709 1.00 0.00 H new