USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 TYR OH : rot -99:sc= 1.66 USER MOD Set 1.2: A 48 THR OG1 : rot -147:sc= 1.31 USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= -0.945 USER MOD Set 2.2: A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= 0.0537 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0377) USER MOD Single : A 18 ASN : amide:sc= 0.106 K(o=0.11,f=-10!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.092) USER MOD Single : A 31 SER OG : rot -170:sc= -1.17 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -3.98! USER MOD Single : A 50 SER OG : rot -8:sc= -0.571 USER MOD Single : A 52 ASN : amide:sc= -0.892 K(o=-0.89,f=-4.3!) USER MOD Single : A 54 ASN : amide:sc= 0.133 X(o=0.13,f=-0.026) USER MOD Single : A 57 GLN : amide:sc= -0.0833 X(o=-0.083,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -79:sc= 1.13 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.297 K(o=-0.3,f=-1.9!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot -30:sc= -5.18! USER MOD Single : A 87 SER OG : rot 78:sc= 1.23 USER MOD Single : A 92 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0381) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 153:sc= 0.149 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= -0.0222 (180deg=-0.228) USER MOD Single : A 99 ASN : amide:sc= 0.0817 X(o=0.082,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.0855 X(o=-0.086,f=0) USER MOD Single : A 103 ASN : amide:sc= 0.971 K(o=0.97,f=-0.078) USER MOD Single : A 105 SER OG : rot -60:sc= -0.0861 USER MOD ----------------------------------------------------------------- ATOM 112 N ALA A 10 -8.633 4.179 11.996 1.00 0.00 N ATOM 113 CA ALA A 10 -7.368 4.026 11.287 1.00 0.00 C ATOM 114 C ALA A 10 -7.577 3.362 9.930 1.00 0.00 C ATOM 115 O ALA A 10 -7.967 2.198 9.851 1.00 0.00 O ATOM 116 CB ALA A 10 -6.386 3.220 12.124 1.00 0.00 C ATOM 0 HA ALA A 10 -6.953 5.020 11.118 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.447 3.114 11.581 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.204 3.735 13.068 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.803 2.233 12.324 1.00 0.00 H new ATOM 122 N LYS A 11 -7.317 4.111 8.864 1.00 0.00 N ATOM 123 CA LYS A 11 -7.477 3.595 7.509 1.00 0.00 C ATOM 124 C LYS A 11 -6.510 2.446 7.247 1.00 0.00 C ATOM 125 O LYS A 11 -5.376 2.453 7.725 1.00 0.00 O ATOM 126 CB LYS A 11 -7.252 4.712 6.486 1.00 0.00 C ATOM 127 CG LYS A 11 -8.537 5.384 6.028 1.00 0.00 C ATOM 128 CD LYS A 11 -8.344 6.879 5.831 1.00 0.00 C ATOM 129 CE LYS A 11 -7.603 7.179 4.538 1.00 0.00 C ATOM 130 NZ LYS A 11 -7.395 8.640 4.344 1.00 0.00 N ATOM 0 H LYS A 11 -6.995 5.078 8.912 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.495 3.219 7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.593 5.464 6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.737 4.300 5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.872 4.933 5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.322 5.211 6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.315 7.374 5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.788 7.289 6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.638 6.673 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.166 6.777 3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.460 8.868 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.125 9.167 4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.455 8.907 4.699 1.00 0.00 H new ATOM 144 N LYS A 12 -6.966 1.459 6.481 1.00 0.00 N ATOM 145 CA LYS A 12 -6.142 0.302 6.154 1.00 0.00 C ATOM 146 C LYS A 12 -5.741 0.321 4.682 1.00 0.00 C ATOM 147 O LYS A 12 -6.541 -0.003 3.805 1.00 0.00 O ATOM 148 CB LYS A 12 -6.894 -0.992 6.471 1.00 0.00 C ATOM 149 CG LYS A 12 -7.066 -1.246 7.961 1.00 0.00 C ATOM 150 CD LYS A 12 -6.118 -2.325 8.458 1.00 0.00 C ATOM 151 CE LYS A 12 -5.619 -2.025 9.862 1.00 0.00 C ATOM 152 NZ LYS A 12 -6.739 -1.918 10.837 1.00 0.00 N ATOM 0 H LYS A 12 -7.902 1.438 6.076 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.238 0.347 6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.877 -0.956 6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.359 -1.832 6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.887 -0.322 8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.095 -1.543 8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.626 -3.289 8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.269 -2.406 7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.934 -2.811 10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.053 -1.093 9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.355 -1.865 11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.292 -1.060 10.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.353 -2.753 10.754 1.00 0.00 H new ATOM 166 N VAL A 13 -4.495 0.704 4.419 1.00 0.00 N ATOM 167 CA VAL A 13 -3.988 0.767 3.053 1.00 0.00 C ATOM 168 C VAL A 13 -2.877 -0.256 2.832 1.00 0.00 C ATOM 169 O VAL A 13 -1.948 -0.359 3.631 1.00 0.00 O ATOM 170 CB VAL A 13 -3.452 2.171 2.717 1.00 0.00 C ATOM 171 CG1 VAL A 13 -4.581 3.190 2.724 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.355 2.572 3.691 1.00 0.00 C ATOM 0 H VAL A 13 -3.819 0.975 5.133 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.825 0.539 2.393 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.024 2.146 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.183 4.176 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.328 2.910 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.042 3.215 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.989 3.567 3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.754 2.580 4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.535 1.857 3.629 1.00 0.00 H new ATOM 182 N ARG A 14 -2.982 -1.008 1.741 1.00 0.00 N ATOM 183 CA ARG A 14 -1.986 -2.022 1.414 1.00 0.00 C ATOM 184 C ARG A 14 -1.002 -1.503 0.371 1.00 0.00 C ATOM 185 O ARG A 14 -1.373 -0.739 -0.520 1.00 0.00 O ATOM 186 CB ARG A 14 -2.669 -3.291 0.901 1.00 0.00 C ATOM 187 CG ARG A 14 -1.890 -4.564 1.192 1.00 0.00 C ATOM 188 CD ARG A 14 -2.818 -5.730 1.488 1.00 0.00 C ATOM 189 NE ARG A 14 -2.124 -6.827 2.158 1.00 0.00 N ATOM 190 CZ ARG A 14 -2.625 -8.055 2.284 1.00 0.00 C ATOM 191 NH1 ARG A 14 -3.822 -8.345 1.789 1.00 0.00 N ATOM 192 NH2 ARG A 14 -1.926 -8.994 2.907 1.00 0.00 N ATOM 0 H ARG A 14 -3.746 -0.934 1.069 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.433 -2.258 2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.658 -3.369 1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.817 -3.204 -0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.258 -4.808 0.338 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.228 -4.400 2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.642 -5.387 2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.253 -6.092 0.557 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.202 -6.642 2.552 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.363 -7.626 1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.200 -9.287 1.888 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.006 -8.776 3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.309 -9.935 3.004 1.00 0.00 H new ATOM 206 N PHE A 15 0.253 -1.922 0.489 1.00 0.00 N ATOM 207 CA PHE A 15 1.291 -1.499 -0.444 1.00 0.00 C ATOM 208 C PHE A 15 2.093 -2.698 -0.944 1.00 0.00 C ATOM 209 O PHE A 15 2.662 -3.449 -0.152 1.00 0.00 O ATOM 210 CB PHE A 15 2.226 -0.489 0.222 1.00 0.00 C ATOM 211 CG PHE A 15 1.592 0.854 0.451 1.00 0.00 C ATOM 212 CD1 PHE A 15 1.024 1.555 -0.601 1.00 0.00 C ATOM 213 CD2 PHE A 15 1.567 1.416 1.716 1.00 0.00 C ATOM 214 CE1 PHE A 15 0.441 2.790 -0.394 1.00 0.00 C ATOM 215 CE2 PHE A 15 0.986 2.652 1.929 1.00 0.00 C ATOM 216 CZ PHE A 15 0.421 3.340 0.873 1.00 0.00 C ATOM 0 H PHE A 15 0.576 -2.554 1.221 1.00 0.00 H new ATOM 0 HA PHE A 15 0.806 -1.026 -1.298 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.561 -0.891 1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.113 -0.362 -0.399 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.037 1.131 -1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.006 0.883 2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.001 3.325 -1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.974 3.080 2.921 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.035 4.305 1.037 1.00 0.00 H new ATOM 226 N TYR A 16 2.133 -2.868 -2.261 1.00 0.00 N ATOM 227 CA TYR A 16 2.864 -3.975 -2.867 1.00 0.00 C ATOM 228 C TYR A 16 4.121 -3.475 -3.572 1.00 0.00 C ATOM 229 O TYR A 16 4.323 -2.270 -3.724 1.00 0.00 O ATOM 230 CB TYR A 16 1.970 -4.722 -3.859 1.00 0.00 C ATOM 231 CG TYR A 16 0.645 -5.153 -3.274 1.00 0.00 C ATOM 232 CD1 TYR A 16 0.591 -5.952 -2.139 1.00 0.00 C ATOM 233 CD2 TYR A 16 -0.555 -4.760 -3.855 1.00 0.00 C ATOM 234 CE1 TYR A 16 -0.617 -6.348 -1.600 1.00 0.00 C ATOM 235 CE2 TYR A 16 -1.768 -5.152 -3.322 1.00 0.00 C ATOM 236 CZ TYR A 16 -1.794 -5.945 -2.195 1.00 0.00 C ATOM 237 OH TYR A 16 -3.001 -6.336 -1.661 1.00 0.00 O ATOM 0 H TYR A 16 1.668 -2.254 -2.929 1.00 0.00 H new ATOM 0 HA TYR A 16 3.163 -4.659 -2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.786 -4.082 -4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.501 -5.602 -4.222 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.510 -6.269 -1.670 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.539 -4.138 -4.738 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.640 -6.970 -0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.691 -4.839 -3.786 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.732 -5.966 -2.199 1.00 0.00 H new ATOM 247 N ARG A 17 4.964 -4.409 -4.000 1.00 0.00 N ATOM 248 CA ARG A 17 6.202 -4.063 -4.689 1.00 0.00 C ATOM 249 C ARG A 17 5.981 -3.984 -6.197 1.00 0.00 C ATOM 250 O ARG A 17 5.522 -4.943 -6.819 1.00 0.00 O ATOM 251 CB ARG A 17 7.292 -5.090 -4.370 1.00 0.00 C ATOM 252 CG ARG A 17 8.375 -4.558 -3.444 1.00 0.00 C ATOM 253 CD ARG A 17 8.822 -5.611 -2.442 1.00 0.00 C ATOM 254 NE ARG A 17 10.265 -5.829 -2.484 1.00 0.00 N ATOM 255 CZ ARG A 17 10.911 -6.679 -1.688 1.00 0.00 C ATOM 256 NH1 ARG A 17 10.246 -7.389 -0.785 1.00 0.00 N ATOM 257 NH2 ARG A 17 12.225 -6.817 -1.794 1.00 0.00 N ATOM 0 H ARG A 17 4.813 -5.411 -3.882 1.00 0.00 H new ATOM 0 HA ARG A 17 6.525 -3.083 -4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.832 -5.966 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.752 -5.421 -5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.231 -4.230 -4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.002 -3.683 -2.911 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.531 -5.302 -1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.307 -6.549 -2.649 1.00 0.00 H new ATOM 0 HE ARG A 17 10.811 -5.299 -3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.235 -7.285 -0.698 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.746 -8.039 -0.178 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.741 -6.272 -2.485 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.720 -7.468 -1.185 1.00 0.00 H new ATOM 271 N ASN A 18 6.312 -2.836 -6.779 1.00 0.00 N ATOM 272 CA ASN A 18 6.150 -2.629 -8.213 1.00 0.00 C ATOM 273 C ASN A 18 7.088 -3.536 -9.004 1.00 0.00 C ATOM 274 O ASN A 18 8.270 -3.233 -9.167 1.00 0.00 O ATOM 275 CB ASN A 18 6.415 -1.166 -8.572 1.00 0.00 C ATOM 276 CG ASN A 18 5.839 -0.789 -9.923 1.00 0.00 C ATOM 277 OD1 ASN A 18 4.903 -1.422 -10.410 1.00 0.00 O ATOM 278 ND2 ASN A 18 6.399 0.248 -10.537 1.00 0.00 N ATOM 0 H ASN A 18 6.695 -2.034 -6.278 1.00 0.00 H new ATOM 0 HA ASN A 18 5.123 -2.880 -8.476 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.985 -0.523 -7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.490 -0.984 -8.575 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.054 0.548 -11.449 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.173 0.744 -10.096 1.00 0.00 H new ATOM 285 N GLY A 19 6.553 -4.649 -9.494 1.00 0.00 N ATOM 286 CA GLY A 19 7.356 -5.582 -10.263 1.00 0.00 C ATOM 287 C GLY A 19 7.693 -6.840 -9.485 1.00 0.00 C ATOM 288 O GLY A 19 8.742 -7.448 -9.699 1.00 0.00 O ATOM 0 H GLY A 19 5.578 -4.922 -9.372 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.820 -5.854 -11.172 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.279 -5.092 -10.572 1.00 0.00 H new ATOM 292 N ASP A 20 6.802 -7.228 -8.578 1.00 0.00 N ATOM 293 CA ASP A 20 7.011 -8.422 -7.766 1.00 0.00 C ATOM 294 C ASP A 20 5.678 -9.034 -7.347 1.00 0.00 C ATOM 295 O ASP A 20 5.117 -8.676 -6.312 1.00 0.00 O ATOM 296 CB ASP A 20 7.845 -8.080 -6.527 1.00 0.00 C ATOM 297 CG ASP A 20 9.198 -8.762 -6.534 1.00 0.00 C ATOM 298 OD1 ASP A 20 9.244 -9.988 -6.773 1.00 0.00 O ATOM 299 OD2 ASP A 20 10.212 -8.071 -6.301 1.00 0.00 O ATOM 0 H ASP A 20 5.930 -6.734 -8.387 1.00 0.00 H new ATOM 0 HA ASP A 20 7.551 -9.153 -8.368 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.986 -7.000 -6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.298 -8.374 -5.632 1.00 0.00 H new ATOM 304 N ARG A 21 5.176 -9.959 -8.159 1.00 0.00 N ATOM 305 CA ARG A 21 3.908 -10.620 -7.872 1.00 0.00 C ATOM 306 C ARG A 21 4.067 -11.645 -6.752 1.00 0.00 C ATOM 307 O ARG A 21 3.117 -11.932 -6.024 1.00 0.00 O ATOM 308 CB ARG A 21 3.363 -11.299 -9.131 1.00 0.00 C ATOM 309 CG ARG A 21 4.279 -12.376 -9.691 1.00 0.00 C ATOM 310 CD ARG A 21 3.958 -12.680 -11.145 1.00 0.00 C ATOM 311 NE ARG A 21 5.162 -12.763 -11.968 1.00 0.00 N ATOM 312 CZ ARG A 21 5.913 -13.856 -12.081 1.00 0.00 C ATOM 313 NH1 ARG A 21 5.592 -14.962 -11.419 1.00 0.00 N ATOM 314 NH2 ARG A 21 6.988 -13.845 -12.856 1.00 0.00 N ATOM 0 H ARG A 21 5.627 -10.267 -9.020 1.00 0.00 H new ATOM 0 HA ARG A 21 3.199 -9.860 -7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.393 -11.742 -8.903 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.196 -10.542 -9.898 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.316 -12.053 -9.606 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.179 -13.285 -9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.412 -13.621 -11.206 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.302 -11.905 -11.541 1.00 0.00 H new ATOM 0 HE ARG A 21 5.445 -11.932 -12.488 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.766 -14.977 -10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.171 -15.797 -11.509 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.240 -12.999 -13.366 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.563 -14.683 -12.942 1.00 0.00 H new ATOM 328 N TYR A 22 5.270 -12.193 -6.620 1.00 0.00 N ATOM 329 CA TYR A 22 5.548 -13.185 -5.587 1.00 0.00 C ATOM 330 C TYR A 22 5.364 -12.586 -4.196 1.00 0.00 C ATOM 331 O TYR A 22 4.954 -13.274 -3.262 1.00 0.00 O ATOM 332 CB TYR A 22 6.973 -13.723 -5.737 1.00 0.00 C ATOM 333 CG TYR A 22 7.146 -14.659 -6.913 1.00 0.00 C ATOM 334 CD1 TYR A 22 7.323 -14.164 -8.199 1.00 0.00 C ATOM 335 CD2 TYR A 22 7.134 -16.037 -6.735 1.00 0.00 C ATOM 336 CE1 TYR A 22 7.482 -15.016 -9.275 1.00 0.00 C ATOM 337 CE2 TYR A 22 7.293 -16.895 -7.807 1.00 0.00 C ATOM 338 CZ TYR A 22 7.467 -16.380 -9.074 1.00 0.00 C ATOM 339 OH TYR A 22 7.625 -17.231 -10.143 1.00 0.00 O ATOM 0 H TYR A 22 6.068 -11.968 -7.214 1.00 0.00 H new ATOM 0 HA TYR A 22 4.842 -14.006 -5.707 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.660 -12.884 -5.847 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.253 -14.246 -4.823 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.337 -13.096 -8.360 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.998 -16.444 -5.744 1.00 0.00 H new ATOM 0 HE1 TYR A 22 7.617 -14.615 -10.269 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.281 -17.964 -7.653 1.00 0.00 H new ATOM 0 HH TYR A 22 7.591 -18.159 -9.830 1.00 0.00 H new ATOM 349 N PHE A 23 5.668 -11.298 -4.067 1.00 0.00 N ATOM 350 CA PHE A 23 5.537 -10.603 -2.792 1.00 0.00 C ATOM 351 C PHE A 23 4.096 -10.650 -2.291 1.00 0.00 C ATOM 352 O PHE A 23 3.152 -10.578 -3.078 1.00 0.00 O ATOM 353 CB PHE A 23 5.994 -9.150 -2.930 1.00 0.00 C ATOM 354 CG PHE A 23 6.065 -8.414 -1.623 1.00 0.00 C ATOM 355 CD1 PHE A 23 6.832 -8.903 -0.577 1.00 0.00 C ATOM 356 CD2 PHE A 23 5.364 -7.232 -1.440 1.00 0.00 C ATOM 357 CE1 PHE A 23 6.899 -8.226 0.626 1.00 0.00 C ATOM 358 CE2 PHE A 23 5.428 -6.552 -0.239 1.00 0.00 C ATOM 359 CZ PHE A 23 6.196 -7.049 0.795 1.00 0.00 C ATOM 0 H PHE A 23 6.007 -10.714 -4.832 1.00 0.00 H new ATOM 0 HA PHE A 23 6.172 -11.109 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.976 -9.130 -3.402 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.310 -8.625 -3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.383 -9.823 -0.704 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.761 -6.838 -2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.501 -8.617 1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.877 -5.632 -0.109 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.247 -6.519 1.734 1.00 0.00 H new ATOM 369 N LYS A 24 3.935 -10.771 -0.977 1.00 0.00 N ATOM 370 CA LYS A 24 2.608 -10.826 -0.372 1.00 0.00 C ATOM 371 C LYS A 24 2.004 -9.430 -0.260 1.00 0.00 C ATOM 372 O LYS A 24 0.894 -9.184 -0.731 1.00 0.00 O ATOM 373 CB LYS A 24 2.683 -11.475 1.012 1.00 0.00 C ATOM 374 CG LYS A 24 2.943 -12.971 0.970 1.00 0.00 C ATOM 375 CD LYS A 24 4.410 -13.290 1.203 1.00 0.00 C ATOM 376 CE LYS A 24 4.720 -13.446 2.684 1.00 0.00 C ATOM 377 NZ LYS A 24 5.399 -12.244 3.239 1.00 0.00 N ATOM 0 H LYS A 24 4.705 -10.833 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 24 1.967 -11.429 -1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.474 -10.993 1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.748 -11.292 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.337 -13.468 1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.633 -13.368 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.671 -14.208 0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.027 -12.496 0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.795 -13.625 3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.353 -14.321 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.744 -12.452 4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.202 -11.987 2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.726 -11.452 3.277 1.00 0.00 H new ATOM 391 N GLY A 25 2.742 -8.521 0.368 1.00 0.00 N ATOM 392 CA GLY A 25 2.262 -7.161 0.534 1.00 0.00 C ATOM 393 C GLY A 25 2.254 -6.721 1.984 1.00 0.00 C ATOM 394 O GLY A 25 2.021 -7.529 2.883 1.00 0.00 O ATOM 0 H GLY A 25 3.664 -8.701 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.891 -6.484 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.253 -7.083 0.129 1.00 0.00 H new ATOM 398 N ILE A 26 2.509 -5.437 2.212 1.00 0.00 N ATOM 399 CA ILE A 26 2.530 -4.892 3.565 1.00 0.00 C ATOM 400 C ILE A 26 1.325 -3.990 3.812 1.00 0.00 C ATOM 401 O ILE A 26 0.943 -3.197 2.951 1.00 0.00 O ATOM 402 CB ILE A 26 3.823 -4.095 3.828 1.00 0.00 C ATOM 403 CG1 ILE A 26 3.873 -3.620 5.283 1.00 0.00 C ATOM 404 CG2 ILE A 26 3.926 -2.914 2.875 1.00 0.00 C ATOM 405 CD1 ILE A 26 5.264 -3.639 5.877 1.00 0.00 C ATOM 0 H ILE A 26 2.704 -4.755 1.479 1.00 0.00 H new ATOM 0 HA ILE A 26 2.490 -5.739 4.250 1.00 0.00 H new ATOM 0 HB ILE A 26 4.675 -4.752 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.476 -2.606 5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.221 -4.252 5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.845 -2.363 3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.937 -3.276 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.070 -2.255 3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.224 -3.290 6.909 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.656 -4.656 5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.916 -2.985 5.298 1.00 0.00 H new ATOM 417 N VAL A 27 0.729 -4.117 4.993 1.00 0.00 N ATOM 418 CA VAL A 27 -0.433 -3.314 5.354 1.00 0.00 C ATOM 419 C VAL A 27 -0.067 -2.250 6.382 1.00 0.00 C ATOM 420 O VAL A 27 0.656 -2.521 7.340 1.00 0.00 O ATOM 421 CB VAL A 27 -1.568 -4.189 5.918 1.00 0.00 C ATOM 422 CG1 VAL A 27 -2.833 -3.367 6.107 1.00 0.00 C ATOM 423 CG2 VAL A 27 -1.827 -5.380 5.008 1.00 0.00 C ATOM 0 H VAL A 27 1.032 -4.769 5.717 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.779 -2.829 4.441 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.260 -4.567 6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.624 -4.002 6.506 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.636 -2.552 6.803 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.147 -2.957 5.147 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.632 -5.987 5.423 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.113 -5.026 4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.922 -5.982 4.931 1.00 0.00 H new ATOM 433 N TYR A 28 -0.573 -1.037 6.177 1.00 0.00 N ATOM 434 CA TYR A 28 -0.300 0.069 7.088 1.00 0.00 C ATOM 435 C TYR A 28 -1.598 0.692 7.591 1.00 0.00 C ATOM 436 O TYR A 28 -2.590 0.755 6.864 1.00 0.00 O ATOM 437 CB TYR A 28 0.553 1.131 6.392 1.00 0.00 C ATOM 438 CG TYR A 28 2.031 0.814 6.385 1.00 0.00 C ATOM 439 CD1 TYR A 28 2.817 1.055 7.505 1.00 0.00 C ATOM 440 CD2 TYR A 28 2.641 0.276 5.259 1.00 0.00 C ATOM 441 CE1 TYR A 28 4.168 0.768 7.503 1.00 0.00 C ATOM 442 CE2 TYR A 28 3.992 -0.014 5.249 1.00 0.00 C ATOM 443 CZ TYR A 28 4.751 0.234 6.374 1.00 0.00 C ATOM 444 OH TYR A 28 6.096 -0.054 6.367 1.00 0.00 O ATOM 0 H TYR A 28 -1.174 -0.796 5.389 1.00 0.00 H new ATOM 0 HA TYR A 28 0.249 -0.324 7.944 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.210 1.244 5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.398 2.090 6.886 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.364 1.474 8.392 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.050 0.081 4.377 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.765 0.961 8.382 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.451 -0.432 4.366 1.00 0.00 H new ATOM 0 HH TYR A 28 6.583 0.670 5.921 1.00 0.00 H new ATOM 454 N ALA A 29 -1.584 1.150 8.838 1.00 0.00 N ATOM 455 CA ALA A 29 -2.760 1.770 9.437 1.00 0.00 C ATOM 456 C ALA A 29 -2.633 3.289 9.451 1.00 0.00 C ATOM 457 O ALA A 29 -2.026 3.862 10.356 1.00 0.00 O ATOM 458 CB ALA A 29 -2.972 1.241 10.848 1.00 0.00 C ATOM 0 H ALA A 29 -0.772 1.104 9.453 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.627 1.512 8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.853 1.712 11.284 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.117 0.161 10.814 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.098 1.471 11.458 1.00 0.00 H new ATOM 464 N ILE A 30 -3.210 3.935 8.445 1.00 0.00 N ATOM 465 CA ILE A 30 -3.161 5.388 8.342 1.00 0.00 C ATOM 466 C ILE A 30 -4.067 6.043 9.379 1.00 0.00 C ATOM 467 O ILE A 30 -5.289 5.895 9.333 1.00 0.00 O ATOM 468 CB ILE A 30 -3.576 5.868 6.937 1.00 0.00 C ATOM 469 CG1 ILE A 30 -2.813 5.091 5.864 1.00 0.00 C ATOM 470 CG2 ILE A 30 -3.330 7.362 6.793 1.00 0.00 C ATOM 471 CD1 ILE A 30 -1.313 5.274 5.935 1.00 0.00 C ATOM 0 H ILE A 30 -3.717 3.475 7.689 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.128 5.683 8.527 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.642 5.682 6.805 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.046 4.031 5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.163 5.406 4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.628 7.685 5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.915 7.901 7.539 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.271 7.572 6.941 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.838 4.694 5.144 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.069 6.329 5.808 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.950 4.932 6.904 1.00 0.00 H new ATOM 483 N SER A 31 -3.462 6.768 10.314 1.00 0.00 N ATOM 484 CA SER A 31 -4.214 7.446 11.362 1.00 0.00 C ATOM 485 C SER A 31 -3.483 8.701 11.832 1.00 0.00 C ATOM 486 O SER A 31 -2.305 8.894 11.528 1.00 0.00 O ATOM 487 CB SER A 31 -4.447 6.500 12.545 1.00 0.00 C ATOM 488 OG SER A 31 -5.832 6.301 12.772 1.00 0.00 O ATOM 0 H SER A 31 -2.452 6.901 10.367 1.00 0.00 H new ATOM 0 HA SER A 31 -5.178 7.744 10.950 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.966 5.542 12.349 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.984 6.912 13.441 1.00 0.00 H new ATOM 0 HG SER A 31 -5.960 5.826 13.620 1.00 0.00 H new ATOM 494 N PRO A 32 -4.174 9.576 12.583 1.00 0.00 N ATOM 495 CA PRO A 32 -3.583 10.817 13.094 1.00 0.00 C ATOM 496 C PRO A 32 -2.529 10.559 14.166 1.00 0.00 C ATOM 497 O PRO A 32 -1.551 11.297 14.278 1.00 0.00 O ATOM 498 CB PRO A 32 -4.780 11.564 13.690 1.00 0.00 C ATOM 499 CG PRO A 32 -5.761 10.497 14.030 1.00 0.00 C ATOM 500 CD PRO A 32 -5.583 9.423 12.992 1.00 0.00 C ATOM 0 HA PRO A 32 -3.064 11.372 12.312 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.491 12.133 14.574 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.199 12.274 12.977 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.580 10.106 15.031 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.779 10.885 14.019 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.778 8.432 13.401 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.263 9.560 12.151 1.00 0.00 H new ATOM 508 N ASP A 33 -2.736 9.506 14.950 1.00 0.00 N ATOM 509 CA ASP A 33 -1.802 9.149 16.012 1.00 0.00 C ATOM 510 C ASP A 33 -0.648 8.316 15.465 1.00 0.00 C ATOM 511 O ASP A 33 0.473 8.386 15.968 1.00 0.00 O ATOM 512 CB ASP A 33 -2.527 8.377 17.116 1.00 0.00 C ATOM 513 CG ASP A 33 -3.318 7.202 16.578 1.00 0.00 C ATOM 514 OD1 ASP A 33 -4.342 7.435 15.903 1.00 0.00 O ATOM 515 OD2 ASP A 33 -2.912 6.048 16.830 1.00 0.00 O ATOM 0 H ASP A 33 -3.542 8.885 14.870 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.394 10.070 16.429 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.798 8.018 17.843 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.200 9.052 17.645 1.00 0.00 H new ATOM 520 N ARG A 34 -0.930 7.530 14.431 1.00 0.00 N ATOM 521 CA ARG A 34 0.086 6.684 13.815 1.00 0.00 C ATOM 522 C ARG A 34 1.007 7.507 12.919 1.00 0.00 C ATOM 523 O ARG A 34 2.183 7.698 13.230 1.00 0.00 O ATOM 524 CB ARG A 34 -0.576 5.567 13.004 1.00 0.00 C ATOM 525 CG ARG A 34 -0.288 4.174 13.541 1.00 0.00 C ATOM 526 CD ARG A 34 -1.526 3.544 14.160 1.00 0.00 C ATOM 527 NE ARG A 34 -1.222 2.849 15.409 1.00 0.00 N ATOM 528 CZ ARG A 34 -0.814 3.462 16.518 1.00 0.00 C ATOM 529 NH1 ARG A 34 -0.660 4.780 16.538 1.00 0.00 N ATOM 530 NH2 ARG A 34 -0.561 2.754 17.610 1.00 0.00 N ATOM 0 H ARG A 34 -1.853 7.461 14.002 1.00 0.00 H new ATOM 0 HA ARG A 34 0.686 6.239 14.608 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.654 5.727 12.992 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.234 5.627 11.971 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.078 3.541 12.733 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.505 4.228 14.287 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.271 4.317 14.348 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.967 2.842 13.453 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.329 1.835 15.432 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.855 5.329 15.701 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.347 5.244 17.391 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.679 1.741 17.600 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.248 3.222 18.460 1.00 0.00 H new ATOM 544 N PHE A 35 0.465 7.992 11.807 1.00 0.00 N ATOM 545 CA PHE A 35 1.238 8.795 10.866 1.00 0.00 C ATOM 546 C PHE A 35 0.910 10.276 11.017 1.00 0.00 C ATOM 547 O PHE A 35 -0.258 10.659 11.088 1.00 0.00 O ATOM 548 CB PHE A 35 0.962 8.343 9.432 1.00 0.00 C ATOM 549 CG PHE A 35 1.474 6.965 9.125 1.00 0.00 C ATOM 550 CD1 PHE A 35 0.681 5.851 9.346 1.00 0.00 C ATOM 551 CD2 PHE A 35 2.750 6.784 8.616 1.00 0.00 C ATOM 552 CE1 PHE A 35 1.150 4.582 9.065 1.00 0.00 C ATOM 553 CE2 PHE A 35 3.225 5.517 8.333 1.00 0.00 C ATOM 554 CZ PHE A 35 2.424 4.415 8.558 1.00 0.00 C ATOM 0 H PHE A 35 -0.507 7.843 11.535 1.00 0.00 H new ATOM 0 HA PHE A 35 2.296 8.652 11.088 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.113 8.370 9.252 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.419 9.053 8.742 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.316 5.976 9.743 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.381 7.643 8.438 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.521 3.722 9.242 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.221 5.389 7.936 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.793 3.424 8.338 1.00 0.00 H new ATOM 564 N ARG A 36 1.947 11.106 11.065 1.00 0.00 N ATOM 565 CA ARG A 36 1.769 12.546 11.206 1.00 0.00 C ATOM 566 C ARG A 36 1.687 13.221 9.842 1.00 0.00 C ATOM 567 O ARG A 36 0.803 14.042 9.596 1.00 0.00 O ATOM 568 CB ARG A 36 2.919 13.147 12.018 1.00 0.00 C ATOM 569 CG ARG A 36 3.171 12.434 13.336 1.00 0.00 C ATOM 570 CD ARG A 36 4.641 12.480 13.721 1.00 0.00 C ATOM 571 NE ARG A 36 4.954 11.543 14.798 1.00 0.00 N ATOM 572 CZ ARG A 36 6.191 11.171 15.119 1.00 0.00 C ATOM 573 NH1 ARG A 36 7.231 11.652 14.450 1.00 0.00 N ATOM 574 NH2 ARG A 36 6.388 10.314 16.112 1.00 0.00 N ATOM 0 H ARG A 36 2.920 10.805 11.008 1.00 0.00 H new ATOM 0 HA ARG A 36 0.831 12.720 11.734 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.829 13.118 11.419 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.702 14.196 12.218 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.573 12.897 14.121 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.846 11.396 13.258 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.252 12.247 12.849 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.903 13.491 14.033 1.00 0.00 H new ATOM 0 HE ARG A 36 4.180 11.152 15.335 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.085 12.311 13.685 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.177 11.363 14.701 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.592 9.941 16.629 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.336 10.028 16.359 1.00 0.00 H new ATOM 588 N SER A 37 2.615 12.871 8.958 1.00 0.00 N ATOM 589 CA SER A 37 2.648 13.444 7.617 1.00 0.00 C ATOM 590 C SER A 37 3.092 12.406 6.592 1.00 0.00 C ATOM 591 O SER A 37 3.372 11.257 6.938 1.00 0.00 O ATOM 592 CB SER A 37 3.588 14.650 7.578 1.00 0.00 C ATOM 593 OG SER A 37 2.871 15.862 7.745 1.00 0.00 O ATOM 0 H SER A 37 3.354 12.194 9.146 1.00 0.00 H new ATOM 0 HA SER A 37 1.639 13.770 7.364 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.338 14.556 8.364 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.122 14.668 6.628 1.00 0.00 H new ATOM 0 HG SER A 37 3.495 16.617 7.718 1.00 0.00 H new ATOM 599 N PHE A 38 3.154 12.816 5.330 1.00 0.00 N ATOM 600 CA PHE A 38 3.564 11.923 4.253 1.00 0.00 C ATOM 601 C PHE A 38 5.006 11.463 4.444 1.00 0.00 C ATOM 602 O PHE A 38 5.380 10.367 4.027 1.00 0.00 O ATOM 603 CB PHE A 38 3.413 12.618 2.900 1.00 0.00 C ATOM 604 CG PHE A 38 3.125 11.673 1.767 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.942 10.951 1.734 1.00 0.00 C ATOM 606 CD2 PHE A 38 4.037 11.507 0.737 1.00 0.00 C ATOM 607 CE1 PHE A 38 1.674 10.082 0.695 1.00 0.00 C ATOM 608 CE2 PHE A 38 3.774 10.638 -0.306 1.00 0.00 C ATOM 609 CZ PHE A 38 2.592 9.925 -0.327 1.00 0.00 C ATOM 0 H PHE A 38 2.925 13.763 5.027 1.00 0.00 H new ATOM 0 HA PHE A 38 2.917 11.046 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.608 13.350 2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.328 13.168 2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.222 11.070 2.530 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.963 12.062 0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.748 9.526 0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.492 10.517 -1.103 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.385 9.246 -1.141 1.00 0.00 H new ATOM 619 N GLU A 39 5.814 12.310 5.077 1.00 0.00 N ATOM 620 CA GLU A 39 7.215 11.992 5.324 1.00 0.00 C ATOM 621 C GLU A 39 7.348 10.712 6.144 1.00 0.00 C ATOM 622 O GLU A 39 8.321 9.971 6.004 1.00 0.00 O ATOM 623 CB GLU A 39 7.902 13.150 6.048 1.00 0.00 C ATOM 624 CG GLU A 39 7.709 14.495 5.366 1.00 0.00 C ATOM 625 CD GLU A 39 8.127 14.476 3.910 1.00 0.00 C ATOM 626 OE1 GLU A 39 8.974 13.634 3.546 1.00 0.00 O ATOM 627 OE2 GLU A 39 7.608 15.304 3.132 1.00 0.00 O ATOM 0 H GLU A 39 5.521 13.222 5.428 1.00 0.00 H new ATOM 0 HA GLU A 39 7.701 11.835 4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.518 13.210 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.969 12.939 6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.661 14.786 5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.286 15.253 5.896 1.00 0.00 H new ATOM 634 N ALA A 40 6.365 10.460 7.001 1.00 0.00 N ATOM 635 CA ALA A 40 6.372 9.270 7.845 1.00 0.00 C ATOM 636 C ALA A 40 5.983 8.031 7.048 1.00 0.00 C ATOM 637 O ALA A 40 6.566 6.960 7.221 1.00 0.00 O ATOM 638 CB ALA A 40 5.433 9.457 9.027 1.00 0.00 C ATOM 0 H ALA A 40 5.553 11.064 7.130 1.00 0.00 H new ATOM 0 HA ALA A 40 7.385 9.125 8.220 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.448 8.562 9.649 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.757 10.314 9.617 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.420 9.629 8.663 1.00 0.00 H new ATOM 644 N LEU A 41 4.993 8.182 6.174 1.00 0.00 N ATOM 645 CA LEU A 41 4.523 7.075 5.350 1.00 0.00 C ATOM 646 C LEU A 41 5.589 6.656 4.341 1.00 0.00 C ATOM 647 O LEU A 41 5.680 5.486 3.970 1.00 0.00 O ATOM 648 CB LEU A 41 3.240 7.467 4.617 1.00 0.00 C ATOM 649 CG LEU A 41 2.555 6.331 3.856 1.00 0.00 C ATOM 650 CD1 LEU A 41 1.879 5.372 4.823 1.00 0.00 C ATOM 651 CD2 LEU A 41 1.546 6.888 2.862 1.00 0.00 C ATOM 0 H LEU A 41 4.500 9.062 6.018 1.00 0.00 H new ATOM 0 HA LEU A 41 4.316 6.230 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.536 7.874 5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.472 8.267 3.914 1.00 0.00 H new ATOM 0 HG LEU A 41 3.315 5.780 3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.397 4.570 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.625 4.948 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.130 5.910 5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.068 6.066 2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.789 7.463 3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.057 7.534 2.148 1.00 0.00 H new ATOM 663 N LEU A 42 6.392 7.619 3.901 1.00 0.00 N ATOM 664 CA LEU A 42 7.450 7.349 2.935 1.00 0.00 C ATOM 665 C LEU A 42 8.651 6.691 3.609 1.00 0.00 C ATOM 666 O LEU A 42 9.211 5.725 3.093 1.00 0.00 O ATOM 667 CB LEU A 42 7.883 8.645 2.248 1.00 0.00 C ATOM 668 CG LEU A 42 6.795 9.335 1.424 1.00 0.00 C ATOM 669 CD1 LEU A 42 7.234 10.735 1.024 1.00 0.00 C ATOM 670 CD2 LEU A 42 6.457 8.508 0.192 1.00 0.00 C ATOM 0 H LEU A 42 6.330 8.593 4.198 1.00 0.00 H new ATOM 0 HA LEU A 42 7.056 6.661 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.238 9.341 3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.729 8.428 1.596 1.00 0.00 H new ATOM 0 HG LEU A 42 5.899 9.420 2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.447 11.210 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.427 11.326 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.144 10.674 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.681 9.013 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.349 8.392 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.099 7.526 0.500 1.00 0.00 H new ATOM 682 N ALA A 43 9.040 7.221 4.764 1.00 0.00 N ATOM 683 CA ALA A 43 10.173 6.685 5.507 1.00 0.00 C ATOM 684 C ALA A 43 9.897 5.261 5.977 1.00 0.00 C ATOM 685 O ALA A 43 10.814 4.447 6.096 1.00 0.00 O ATOM 686 CB ALA A 43 10.498 7.581 6.692 1.00 0.00 C ATOM 0 H ALA A 43 8.587 8.021 5.205 1.00 0.00 H new ATOM 0 HA ALA A 43 11.034 6.658 4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.346 7.169 7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.747 8.580 6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.633 7.637 7.353 1.00 0.00 H new ATOM 692 N ASP A 44 8.630 4.967 6.244 1.00 0.00 N ATOM 693 CA ASP A 44 8.233 3.640 6.703 1.00 0.00 C ATOM 694 C ASP A 44 8.074 2.682 5.525 1.00 0.00 C ATOM 695 O ASP A 44 8.315 1.481 5.653 1.00 0.00 O ATOM 696 CB ASP A 44 6.923 3.721 7.491 1.00 0.00 C ATOM 697 CG ASP A 44 7.153 3.805 8.986 1.00 0.00 C ATOM 698 OD1 ASP A 44 8.270 4.189 9.395 1.00 0.00 O ATOM 699 OD2 ASP A 44 6.217 3.486 9.750 1.00 0.00 O ATOM 0 H ASP A 44 7.860 5.629 6.151 1.00 0.00 H new ATOM 0 HA ASP A 44 9.018 3.258 7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.358 4.594 7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.313 2.845 7.268 1.00 0.00 H new ATOM 704 N LEU A 45 7.666 3.220 4.382 1.00 0.00 N ATOM 705 CA LEU A 45 7.474 2.412 3.183 1.00 0.00 C ATOM 706 C LEU A 45 8.809 1.903 2.648 1.00 0.00 C ATOM 707 O LEU A 45 8.908 0.771 2.173 1.00 0.00 O ATOM 708 CB LEU A 45 6.754 3.227 2.104 1.00 0.00 C ATOM 709 CG LEU A 45 5.235 3.055 2.072 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.611 4.015 1.070 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.869 1.617 1.736 1.00 0.00 C ATOM 0 H LEU A 45 7.462 4.212 4.260 1.00 0.00 H new ATOM 0 HA LEU A 45 6.860 1.552 3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.982 4.282 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.157 2.949 1.130 1.00 0.00 H new ATOM 0 HG LEU A 45 4.840 3.287 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.530 3.879 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.845 5.041 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.011 3.814 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.784 1.512 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.275 1.357 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.285 0.950 2.491 1.00 0.00 H new ATOM 723 N THR A 46 9.834 2.745 2.726 1.00 0.00 N ATOM 724 CA THR A 46 11.162 2.378 2.250 1.00 0.00 C ATOM 725 C THR A 46 11.854 1.439 3.232 1.00 0.00 C ATOM 726 O THR A 46 12.650 0.587 2.836 1.00 0.00 O ATOM 727 CB THR A 46 12.015 3.630 2.039 1.00 0.00 C ATOM 728 OG1 THR A 46 11.356 4.549 1.187 1.00 0.00 O ATOM 729 CG2 THR A 46 13.371 3.334 1.434 1.00 0.00 C ATOM 0 H THR A 46 9.770 3.686 3.114 1.00 0.00 H new ATOM 0 HA THR A 46 11.047 1.859 1.299 1.00 0.00 H new ATOM 0 HB THR A 46 12.162 4.051 3.034 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.917 5.343 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.925 4.264 1.311 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.925 2.666 2.093 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.240 2.858 0.462 1.00 0.00 H new ATOM 737 N ARG A 47 11.543 1.599 4.514 1.00 0.00 N ATOM 738 CA ARG A 47 12.134 0.764 5.554 1.00 0.00 C ATOM 739 C ARG A 47 11.720 -0.694 5.385 1.00 0.00 C ATOM 740 O ARG A 47 12.463 -1.606 5.748 1.00 0.00 O ATOM 741 CB ARG A 47 11.718 1.267 6.937 1.00 0.00 C ATOM 742 CG ARG A 47 12.631 0.793 8.057 1.00 0.00 C ATOM 743 CD ARG A 47 12.608 1.750 9.238 1.00 0.00 C ATOM 744 NE ARG A 47 13.387 2.959 8.978 1.00 0.00 N ATOM 745 CZ ARG A 47 13.822 3.779 9.932 1.00 0.00 C ATOM 746 NH1 ARG A 47 13.556 3.526 11.207 1.00 0.00 N ATOM 747 NH2 ARG A 47 14.524 4.857 9.609 1.00 0.00 N ATOM 0 H ARG A 47 10.885 2.299 4.858 1.00 0.00 H new ATOM 0 HA ARG A 47 13.218 0.827 5.462 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.703 2.357 6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.700 0.936 7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.321 -0.199 8.385 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.650 0.701 7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.577 2.024 9.462 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.003 1.247 10.120 1.00 0.00 H new ATOM 0 HE ARG A 47 13.610 3.188 8.009 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.015 2.699 11.461 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.892 4.158 11.933 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.730 5.057 8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.858 5.486 10.339 1.00 0.00 H new ATOM 761 N THR A 48 10.530 -0.907 4.833 1.00 0.00 N ATOM 762 CA THR A 48 10.019 -2.256 4.617 1.00 0.00 C ATOM 763 C THR A 48 10.085 -2.635 3.141 1.00 0.00 C ATOM 764 O THR A 48 10.494 -3.742 2.793 1.00 0.00 O ATOM 765 CB THR A 48 8.577 -2.362 5.119 1.00 0.00 C ATOM 766 OG1 THR A 48 7.831 -1.217 4.747 1.00 0.00 O ATOM 767 CG2 THR A 48 8.476 -2.509 6.621 1.00 0.00 C ATOM 0 H THR A 48 9.902 -0.164 4.527 1.00 0.00 H new ATOM 0 HA THR A 48 10.645 -2.949 5.178 1.00 0.00 H new ATOM 0 HB THR A 48 8.175 -3.262 4.655 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.161 -1.025 5.436 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.427 -2.579 6.910 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.000 -3.412 6.934 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.928 -1.642 7.103 1.00 0.00 H new ATOM 775 N LEU A 49 9.678 -1.710 2.278 1.00 0.00 N ATOM 776 CA LEU A 49 9.691 -1.949 0.839 1.00 0.00 C ATOM 777 C LEU A 49 10.822 -1.178 0.168 1.00 0.00 C ATOM 778 O LEU A 49 10.610 -0.093 -0.375 1.00 0.00 O ATOM 779 CB LEU A 49 8.348 -1.548 0.224 1.00 0.00 C ATOM 780 CG LEU A 49 7.116 -2.108 0.937 1.00 0.00 C ATOM 781 CD1 LEU A 49 5.843 -1.580 0.296 1.00 0.00 C ATOM 782 CD2 LEU A 49 7.135 -3.629 0.916 1.00 0.00 C ATOM 0 H LEU A 49 9.335 -0.788 2.550 1.00 0.00 H new ATOM 0 HA LEU A 49 9.856 -3.014 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.280 -0.460 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.329 -1.877 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 49 7.139 -1.778 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.977 -1.989 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.826 -0.492 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.812 -1.880 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.252 -4.011 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.136 -3.979 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.031 -3.989 1.422 1.00 0.00 H new ATOM 794 N SER A 50 12.024 -1.745 0.208 1.00 0.00 N ATOM 795 CA SER A 50 13.190 -1.112 -0.397 1.00 0.00 C ATOM 796 C SER A 50 14.431 -1.982 -0.226 1.00 0.00 C ATOM 797 O SER A 50 14.896 -2.204 0.892 1.00 0.00 O ATOM 798 CB SER A 50 13.430 0.267 0.224 1.00 0.00 C ATOM 799 OG SER A 50 13.961 1.170 -0.730 1.00 0.00 O ATOM 0 H SER A 50 12.216 -2.642 0.654 1.00 0.00 H new ATOM 0 HA SER A 50 12.995 -0.993 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.493 0.660 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.117 0.176 1.065 1.00 0.00 H new ATOM 0 HG SER A 50 14.179 0.685 -1.553 1.00 0.00 H new ATOM 805 N ASP A 51 14.964 -2.472 -1.341 1.00 0.00 N ATOM 806 CA ASP A 51 16.151 -3.318 -1.313 1.00 0.00 C ATOM 807 C ASP A 51 17.266 -2.720 -2.167 1.00 0.00 C ATOM 808 O ASP A 51 18.190 -2.092 -1.646 1.00 0.00 O ATOM 809 CB ASP A 51 15.812 -4.727 -1.803 1.00 0.00 C ATOM 810 CG ASP A 51 14.955 -5.493 -0.815 1.00 0.00 C ATOM 811 OD1 ASP A 51 13.810 -5.063 -0.565 1.00 0.00 O ATOM 812 OD2 ASP A 51 15.431 -6.522 -0.289 1.00 0.00 O ATOM 0 H ASP A 51 14.592 -2.297 -2.275 1.00 0.00 H new ATOM 0 HA ASP A 51 16.501 -3.376 -0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.290 -4.661 -2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.735 -5.278 -1.982 1.00 0.00 H new ATOM 817 N ASN A 52 17.176 -2.917 -3.479 1.00 0.00 N ATOM 818 CA ASN A 52 18.178 -2.395 -4.401 1.00 0.00 C ATOM 819 C ASN A 52 17.806 -2.714 -5.846 1.00 0.00 C ATOM 820 O ASN A 52 17.678 -1.816 -6.677 1.00 0.00 O ATOM 821 CB ASN A 52 19.555 -2.981 -4.079 1.00 0.00 C ATOM 822 CG ASN A 52 20.656 -2.369 -4.922 1.00 0.00 C ATOM 823 OD1 ASN A 52 20.467 -2.097 -6.107 1.00 0.00 O ATOM 824 ND2 ASN A 52 21.816 -2.150 -4.313 1.00 0.00 N ATOM 0 H ASN A 52 16.420 -3.434 -3.927 1.00 0.00 H new ATOM 0 HA ASN A 52 18.214 -1.312 -4.282 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.777 -2.820 -3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.535 -4.059 -4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.594 -1.741 -4.830 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.929 -2.391 -3.328 1.00 0.00 H new ATOM 831 N VAL A 53 17.637 -4.000 -6.138 1.00 0.00 N ATOM 832 CA VAL A 53 17.281 -4.437 -7.482 1.00 0.00 C ATOM 833 C VAL A 53 15.897 -3.935 -7.877 1.00 0.00 C ATOM 834 O VAL A 53 15.650 -3.615 -9.039 1.00 0.00 O ATOM 835 CB VAL A 53 17.310 -5.973 -7.599 1.00 0.00 C ATOM 836 CG1 VAL A 53 17.136 -6.402 -9.048 1.00 0.00 C ATOM 837 CG2 VAL A 53 18.602 -6.528 -7.023 1.00 0.00 C ATOM 0 H VAL A 53 17.741 -4.757 -5.462 1.00 0.00 H new ATOM 0 HA VAL A 53 18.024 -4.013 -8.158 1.00 0.00 H new ATOM 0 HB VAL A 53 16.479 -6.378 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.159 -7.490 -9.111 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.180 -6.037 -9.423 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.944 -5.987 -9.650 1.00 0.00 H new ATOM 0 HG21 VAL A 53 18.604 -7.614 -7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 53 19.450 -6.116 -7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 53 18.679 -6.252 -5.971 1.00 0.00 H new ATOM 847 N ASN A 54 14.996 -3.867 -6.902 1.00 0.00 N ATOM 848 CA ASN A 54 13.636 -3.404 -7.149 1.00 0.00 C ATOM 849 C ASN A 54 13.541 -1.889 -6.996 1.00 0.00 C ATOM 850 O ASN A 54 13.303 -1.170 -7.967 1.00 0.00 O ATOM 851 CB ASN A 54 12.660 -4.089 -6.191 1.00 0.00 C ATOM 852 CG ASN A 54 11.921 -5.241 -6.845 1.00 0.00 C ATOM 853 OD1 ASN A 54 10.917 -5.041 -7.528 1.00 0.00 O ATOM 854 ND2 ASN A 54 12.415 -6.455 -6.637 1.00 0.00 N ATOM 0 H ASN A 54 15.184 -4.127 -5.934 1.00 0.00 H new ATOM 0 HA ASN A 54 13.370 -3.664 -8.174 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.206 -4.457 -5.322 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.938 -3.358 -5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.960 -7.269 -7.051 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.250 -6.574 -6.064 1.00 0.00 H new ATOM 861 N LEU A 55 13.728 -1.410 -5.770 1.00 0.00 N ATOM 862 CA LEU A 55 13.663 0.020 -5.491 1.00 0.00 C ATOM 863 C LEU A 55 14.839 0.460 -4.623 1.00 0.00 C ATOM 864 O LEU A 55 14.741 0.483 -3.396 1.00 0.00 O ATOM 865 CB LEU A 55 12.344 0.363 -4.796 1.00 0.00 C ATOM 866 CG LEU A 55 11.084 0.041 -5.602 1.00 0.00 C ATOM 867 CD1 LEU A 55 9.981 -0.472 -4.689 1.00 0.00 C ATOM 868 CD2 LEU A 55 10.615 1.267 -6.370 1.00 0.00 C ATOM 0 H LEU A 55 13.926 -1.991 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 55 13.717 0.554 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.299 -0.176 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.342 1.427 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 55 11.326 -0.743 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.093 -0.695 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.318 -1.377 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.740 0.289 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.718 1.020 -6.938 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.391 2.071 -5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.400 1.590 -7.054 1.00 0.00 H new ATOM 880 N PRO A 56 15.972 0.818 -5.251 1.00 0.00 N ATOM 881 CA PRO A 56 17.169 1.259 -4.529 1.00 0.00 C ATOM 882 C PRO A 56 17.008 2.655 -3.939 1.00 0.00 C ATOM 883 O PRO A 56 17.361 2.897 -2.784 1.00 0.00 O ATOM 884 CB PRO A 56 18.253 1.255 -5.608 1.00 0.00 C ATOM 885 CG PRO A 56 17.516 1.481 -6.882 1.00 0.00 C ATOM 886 CD PRO A 56 16.174 0.820 -6.713 1.00 0.00 C ATOM 0 HA PRO A 56 17.393 0.616 -3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 56 18.990 2.038 -5.432 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.792 0.308 -5.625 1.00 0.00 H new ATOM 0 HG2 PRO A 56 17.403 2.546 -7.083 1.00 0.00 H new ATOM 0 HG3 PRO A 56 18.057 1.053 -7.726 1.00 0.00 H new ATOM 0 HD2 PRO A 56 15.387 1.373 -7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.171 -0.191 -7.120 1.00 0.00 H new ATOM 894 N GLN A 57 16.472 3.572 -4.738 1.00 0.00 N ATOM 895 CA GLN A 57 16.264 4.946 -4.293 1.00 0.00 C ATOM 896 C GLN A 57 15.254 5.000 -3.151 1.00 0.00 C ATOM 897 O GLN A 57 15.426 5.752 -2.192 1.00 0.00 O ATOM 898 CB GLN A 57 15.785 5.815 -5.459 1.00 0.00 C ATOM 899 CG GLN A 57 16.892 6.636 -6.100 1.00 0.00 C ATOM 900 CD GLN A 57 16.724 6.770 -7.601 1.00 0.00 C ATOM 901 OE1 GLN A 57 16.559 7.871 -8.124 1.00 0.00 O ATOM 902 NE2 GLN A 57 16.768 5.643 -8.303 1.00 0.00 N ATOM 0 H GLN A 57 16.174 3.389 -5.696 1.00 0.00 H new ATOM 0 HA GLN A 57 17.216 5.333 -3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 57 15.333 5.175 -6.217 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.004 6.488 -5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 57 16.910 7.629 -5.650 1.00 0.00 H new ATOM 0 HG3 GLN A 57 17.854 6.171 -5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.907 4.751 -7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.663 5.669 -9.317 1.00 0.00 H new ATOM 911 N GLY A 58 14.199 4.198 -3.261 1.00 0.00 N ATOM 912 CA GLY A 58 13.178 4.171 -2.232 1.00 0.00 C ATOM 913 C GLY A 58 11.826 4.629 -2.742 1.00 0.00 C ATOM 914 O GLY A 58 11.718 5.150 -3.852 1.00 0.00 O ATOM 0 H GLY A 58 14.034 3.567 -4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.090 3.158 -1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.485 4.809 -1.403 1.00 0.00 H new ATOM 918 N VAL A 59 10.793 4.436 -1.929 1.00 0.00 N ATOM 919 CA VAL A 59 9.441 4.834 -2.303 1.00 0.00 C ATOM 920 C VAL A 59 9.333 6.349 -2.443 1.00 0.00 C ATOM 921 O VAL A 59 9.848 7.098 -1.612 1.00 0.00 O ATOM 922 CB VAL A 59 8.407 4.345 -1.268 1.00 0.00 C ATOM 923 CG1 VAL A 59 8.675 4.963 0.097 1.00 0.00 C ATOM 924 CG2 VAL A 59 6.992 4.658 -1.737 1.00 0.00 C ATOM 0 H VAL A 59 10.866 4.006 -1.007 1.00 0.00 H new ATOM 0 HA VAL A 59 9.227 4.369 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 59 8.503 3.263 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.934 4.604 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.672 4.680 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.612 6.049 0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.276 4.306 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.881 5.735 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.805 4.158 -2.687 1.00 0.00 H new ATOM 934 N ARG A 60 8.663 6.794 -3.500 1.00 0.00 N ATOM 935 CA ARG A 60 8.487 8.220 -3.749 1.00 0.00 C ATOM 936 C ARG A 60 7.110 8.504 -4.342 1.00 0.00 C ATOM 937 O ARG A 60 6.405 9.408 -3.895 1.00 0.00 O ATOM 938 CB ARG A 60 9.580 8.733 -4.690 1.00 0.00 C ATOM 939 CG ARG A 60 10.286 9.980 -4.181 1.00 0.00 C ATOM 940 CD ARG A 60 10.257 11.101 -5.209 1.00 0.00 C ATOM 941 NE ARG A 60 11.269 12.119 -4.937 1.00 0.00 N ATOM 942 CZ ARG A 60 11.605 13.077 -5.797 1.00 0.00 C ATOM 943 NH1 ARG A 60 11.014 13.151 -6.984 1.00 0.00 N ATOM 944 NH2 ARG A 60 12.536 13.963 -5.471 1.00 0.00 N ATOM 0 H ARG A 60 8.233 6.188 -4.198 1.00 0.00 H new ATOM 0 HA ARG A 60 8.565 8.743 -2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.317 7.944 -4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.139 8.947 -5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.810 10.318 -3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.320 9.738 -3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.419 10.685 -6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.270 11.563 -5.214 1.00 0.00 H new ATOM 0 HE ARG A 60 11.746 12.094 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.298 12.471 -7.241 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.276 13.888 -7.639 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.994 13.910 -4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.794 14.698 -6.130 1.00 0.00 H new ATOM 958 N THR A 61 6.734 7.723 -5.350 1.00 0.00 N ATOM 959 CA THR A 61 5.441 7.889 -6.004 1.00 0.00 C ATOM 960 C THR A 61 4.623 6.605 -5.925 1.00 0.00 C ATOM 961 O THR A 61 5.015 5.573 -6.470 1.00 0.00 O ATOM 962 CB THR A 61 5.634 8.296 -7.466 1.00 0.00 C ATOM 963 OG1 THR A 61 6.771 9.129 -7.609 1.00 0.00 O ATOM 964 CG2 THR A 61 4.447 9.036 -8.043 1.00 0.00 C ATOM 0 H THR A 61 7.306 6.970 -5.731 1.00 0.00 H new ATOM 0 HA THR A 61 4.897 8.677 -5.484 1.00 0.00 H new ATOM 0 HB THR A 61 5.759 7.361 -8.012 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.878 9.377 -8.551 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.650 9.295 -9.082 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.563 8.400 -7.993 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.272 9.946 -7.470 1.00 0.00 H new ATOM 972 N ILE A 62 3.483 6.675 -5.244 1.00 0.00 N ATOM 973 CA ILE A 62 2.610 5.518 -5.095 1.00 0.00 C ATOM 974 C ILE A 62 1.486 5.541 -6.125 1.00 0.00 C ATOM 975 O ILE A 62 0.769 6.533 -6.254 1.00 0.00 O ATOM 976 CB ILE A 62 1.995 5.457 -3.683 1.00 0.00 C ATOM 977 CG1 ILE A 62 3.083 5.632 -2.621 1.00 0.00 C ATOM 978 CG2 ILE A 62 1.258 4.142 -3.482 1.00 0.00 C ATOM 979 CD1 ILE A 62 2.539 5.973 -1.250 1.00 0.00 C ATOM 0 H ILE A 62 3.143 7.521 -4.787 1.00 0.00 H new ATOM 0 HA ILE A 62 3.227 4.634 -5.254 1.00 0.00 H new ATOM 0 HB ILE A 62 1.278 6.272 -3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.665 4.713 -2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.766 6.420 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.830 4.115 -2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.461 4.055 -4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.955 3.312 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.365 6.082 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.981 6.908 -1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.879 5.175 -0.912 1.00 0.00 H new ATOM 991 N TYR A 63 1.337 4.441 -6.855 1.00 0.00 N ATOM 992 CA TYR A 63 0.301 4.335 -7.875 1.00 0.00 C ATOM 993 C TYR A 63 -0.828 3.421 -7.408 1.00 0.00 C ATOM 994 O TYR A 63 -0.640 2.588 -6.522 1.00 0.00 O ATOM 995 CB TYR A 63 0.893 3.805 -9.182 1.00 0.00 C ATOM 996 CG TYR A 63 2.023 4.653 -9.722 1.00 0.00 C ATOM 997 CD1 TYR A 63 3.339 4.405 -9.354 1.00 0.00 C ATOM 998 CD2 TYR A 63 1.773 5.700 -10.600 1.00 0.00 C ATOM 999 CE1 TYR A 63 4.375 5.177 -9.844 1.00 0.00 C ATOM 1000 CE2 TYR A 63 2.804 6.476 -11.096 1.00 0.00 C ATOM 1001 CZ TYR A 63 4.103 6.210 -10.715 1.00 0.00 C ATOM 1002 OH TYR A 63 5.131 6.981 -11.206 1.00 0.00 O ATOM 0 H TYR A 63 1.921 3.610 -6.759 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.107 5.331 -8.048 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.256 2.790 -9.021 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.104 3.746 -9.931 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.556 3.595 -8.673 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.757 5.911 -10.900 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.393 4.972 -9.546 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.594 7.286 -11.778 1.00 0.00 H new ATOM 0 HH TYR A 63 4.769 7.665 -11.807 1.00 0.00 H new ATOM 1012 N THR A 64 -2.001 3.581 -8.012 1.00 0.00 N ATOM 1013 CA THR A 64 -3.160 2.771 -7.659 1.00 0.00 C ATOM 1014 C THR A 64 -3.030 1.361 -8.225 1.00 0.00 C ATOM 1015 O THR A 64 -2.142 1.084 -9.033 1.00 0.00 O ATOM 1016 CB THR A 64 -4.443 3.423 -8.177 1.00 0.00 C ATOM 1017 OG1 THR A 64 -4.199 4.112 -9.392 1.00 0.00 O ATOM 1018 CG2 THR A 64 -5.048 4.411 -7.203 1.00 0.00 C ATOM 0 H THR A 64 -2.174 4.265 -8.749 1.00 0.00 H new ATOM 0 HA THR A 64 -3.208 2.705 -6.572 1.00 0.00 H new ATOM 0 HB THR A 64 -5.146 2.603 -8.321 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.786 4.979 -9.199 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.955 4.837 -7.633 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.293 3.900 -6.272 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.333 5.209 -7.002 1.00 0.00 H new ATOM 1026 N ILE A 65 -3.920 0.472 -7.795 1.00 0.00 N ATOM 1027 CA ILE A 65 -3.905 -0.910 -8.260 1.00 0.00 C ATOM 1028 C ILE A 65 -4.228 -0.994 -9.749 1.00 0.00 C ATOM 1029 O ILE A 65 -3.797 -1.920 -10.436 1.00 0.00 O ATOM 1030 CB ILE A 65 -4.908 -1.778 -7.472 1.00 0.00 C ATOM 1031 CG1 ILE A 65 -4.798 -3.243 -7.900 1.00 0.00 C ATOM 1032 CG2 ILE A 65 -6.330 -1.265 -7.667 1.00 0.00 C ATOM 1033 CD1 ILE A 65 -3.500 -3.899 -7.483 1.00 0.00 C ATOM 0 H ILE A 65 -4.660 0.684 -7.126 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.898 -1.291 -8.091 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.664 -1.711 -6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.631 -3.801 -7.473 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.895 -3.305 -8.984 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.023 -1.890 -7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.398 -0.237 -7.312 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.588 -1.301 -8.725 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.492 -4.936 -7.820 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.662 -3.365 -7.931 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.410 -3.869 -6.397 1.00 0.00 H new ATOM 1045 N ASP A 66 -4.991 -0.023 -10.242 1.00 0.00 N ATOM 1046 CA ASP A 66 -5.372 0.011 -11.649 1.00 0.00 C ATOM 1047 C ASP A 66 -4.266 0.633 -12.497 1.00 0.00 C ATOM 1048 O ASP A 66 -4.092 0.279 -13.663 1.00 0.00 O ATOM 1049 CB ASP A 66 -6.673 0.795 -11.828 1.00 0.00 C ATOM 1050 CG ASP A 66 -7.636 0.106 -12.775 1.00 0.00 C ATOM 1051 OD1 ASP A 66 -7.166 -0.591 -13.698 1.00 0.00 O ATOM 1052 OD2 ASP A 66 -8.862 0.265 -12.593 1.00 0.00 O ATOM 0 H ASP A 66 -5.357 0.751 -9.687 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.527 -1.015 -11.983 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.152 0.925 -10.858 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.445 1.791 -12.207 1.00 0.00 H new ATOM 1057 N GLY A 67 -3.525 1.562 -11.905 1.00 0.00 N ATOM 1058 CA GLY A 67 -2.446 2.219 -12.621 1.00 0.00 C ATOM 1059 C GLY A 67 -2.929 3.399 -13.439 1.00 0.00 C ATOM 1060 O GLY A 67 -2.524 3.573 -14.589 1.00 0.00 O ATOM 0 H GLY A 67 -3.651 1.873 -10.942 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.694 2.558 -11.908 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.959 1.499 -13.279 1.00 0.00 H new ATOM 1064 N LEU A 68 -3.798 4.213 -12.847 1.00 0.00 N ATOM 1065 CA LEU A 68 -4.338 5.384 -13.529 1.00 0.00 C ATOM 1066 C LEU A 68 -3.980 6.662 -12.778 1.00 0.00 C ATOM 1067 O LEU A 68 -3.427 7.598 -13.355 1.00 0.00 O ATOM 1068 CB LEU A 68 -5.857 5.266 -13.663 1.00 0.00 C ATOM 1069 CG LEU A 68 -6.339 4.209 -14.659 1.00 0.00 C ATOM 1070 CD1 LEU A 68 -7.860 4.166 -14.696 1.00 0.00 C ATOM 1071 CD2 LEU A 68 -5.778 4.488 -16.045 1.00 0.00 C ATOM 0 H LEU A 68 -4.143 4.083 -11.896 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.895 5.432 -14.524 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.276 5.038 -12.683 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.256 6.235 -13.963 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.976 3.235 -14.331 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.185 3.409 -15.409 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.241 3.919 -13.705 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.244 5.140 -15.000 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.131 3.727 -16.740 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.112 5.470 -16.382 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.689 4.468 -16.007 1.00 0.00 H new ATOM 1083 N LYS A 69 -4.302 6.695 -11.489 1.00 0.00 N ATOM 1084 CA LYS A 69 -4.016 7.859 -10.659 1.00 0.00 C ATOM 1085 C LYS A 69 -2.899 7.555 -9.663 1.00 0.00 C ATOM 1086 O LYS A 69 -2.704 6.408 -9.265 1.00 0.00 O ATOM 1087 CB LYS A 69 -5.277 8.300 -9.912 1.00 0.00 C ATOM 1088 CG LYS A 69 -5.539 9.795 -9.991 1.00 0.00 C ATOM 1089 CD LYS A 69 -6.920 10.147 -9.461 1.00 0.00 C ATOM 1090 CE LYS A 69 -7.515 11.333 -10.202 1.00 0.00 C ATOM 1091 NZ LYS A 69 -8.686 11.906 -9.482 1.00 0.00 N ATOM 0 H LYS A 69 -4.761 5.929 -10.997 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.687 8.668 -11.311 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.136 7.767 -10.320 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.189 8.010 -8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.781 10.329 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.449 10.127 -11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.580 9.285 -9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.855 10.376 -8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.753 12.103 -10.327 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.820 11.021 -11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.063 12.713 -10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.424 11.179 -9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.390 12.227 -8.538 1.00 0.00 H new ATOM 1105 N LYS A 70 -2.170 8.593 -9.266 1.00 0.00 N ATOM 1106 CA LYS A 70 -1.073 8.437 -8.317 1.00 0.00 C ATOM 1107 C LYS A 70 -1.376 9.166 -7.012 1.00 0.00 C ATOM 1108 O LYS A 70 -2.015 10.218 -7.010 1.00 0.00 O ATOM 1109 CB LYS A 70 0.230 8.965 -8.920 1.00 0.00 C ATOM 1110 CG LYS A 70 0.101 10.349 -9.531 1.00 0.00 C ATOM 1111 CD LYS A 70 1.460 11.007 -9.712 1.00 0.00 C ATOM 1112 CE LYS A 70 1.761 11.979 -8.583 1.00 0.00 C ATOM 1113 NZ LYS A 70 1.046 13.274 -8.758 1.00 0.00 N ATOM 0 H LYS A 70 -2.319 9.550 -9.586 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.960 7.375 -8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.996 8.989 -8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.574 8.270 -9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.401 10.277 -10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.524 10.973 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.234 10.241 -9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.486 11.535 -10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.473 11.531 -7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.835 12.161 -8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.278 13.908 -7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.340 13.715 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.020 13.104 -8.776 1.00 0.00 H new ATOM 1127 N ILE A 71 -0.910 8.600 -5.903 1.00 0.00 N ATOM 1128 CA ILE A 71 -1.131 9.197 -4.591 1.00 0.00 C ATOM 1129 C ILE A 71 -0.050 10.220 -4.264 1.00 0.00 C ATOM 1130 O ILE A 71 1.134 9.991 -4.517 1.00 0.00 O ATOM 1131 CB ILE A 71 -1.159 8.125 -3.484 1.00 0.00 C ATOM 1132 CG1 ILE A 71 -2.090 6.977 -3.879 1.00 0.00 C ATOM 1133 CG2 ILE A 71 -1.596 8.739 -2.163 1.00 0.00 C ATOM 1134 CD1 ILE A 71 -3.534 7.400 -4.043 1.00 0.00 C ATOM 0 H ILE A 71 -0.378 7.730 -5.887 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.100 9.695 -4.629 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.153 7.725 -3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.739 6.540 -4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.032 6.196 -3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.611 7.969 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.897 9.525 -1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.594 9.163 -2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.137 6.536 -4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.902 7.810 -3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.604 8.160 -4.822 1.00 0.00 H new ATOM 1146 N SER A 72 -0.463 11.350 -3.699 1.00 0.00 N ATOM 1147 CA SER A 72 0.470 12.410 -3.337 1.00 0.00 C ATOM 1148 C SER A 72 0.508 12.609 -1.824 1.00 0.00 C ATOM 1149 O SER A 72 1.577 12.610 -1.214 1.00 0.00 O ATOM 1150 CB SER A 72 0.081 13.719 -4.024 1.00 0.00 C ATOM 1151 OG SER A 72 1.221 14.522 -4.277 1.00 0.00 O ATOM 0 H SER A 72 -1.438 11.555 -3.482 1.00 0.00 H new ATOM 0 HA SER A 72 1.464 12.113 -3.672 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.430 13.503 -4.962 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.622 14.267 -3.397 1.00 0.00 H new ATOM 0 HG SER A 72 0.945 15.352 -4.718 1.00 0.00 H new ATOM 1157 N SER A 73 -0.666 12.778 -1.225 1.00 0.00 N ATOM 1158 CA SER A 73 -0.769 12.978 0.216 1.00 0.00 C ATOM 1159 C SER A 73 -1.467 11.797 0.881 1.00 0.00 C ATOM 1160 O SER A 73 -1.696 10.764 0.252 1.00 0.00 O ATOM 1161 CB SER A 73 -1.527 14.271 0.519 1.00 0.00 C ATOM 1162 OG SER A 73 -1.365 15.216 -0.524 1.00 0.00 O ATOM 0 H SER A 73 -1.560 12.780 -1.716 1.00 0.00 H new ATOM 0 HA SER A 73 0.240 13.054 0.620 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.586 14.052 0.653 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.168 14.695 1.457 1.00 0.00 H new ATOM 0 HG SER A 73 -1.861 16.032 -0.306 1.00 0.00 H new ATOM 1168 N LEU A 74 -1.804 11.957 2.157 1.00 0.00 N ATOM 1169 CA LEU A 74 -2.475 10.904 2.908 1.00 0.00 C ATOM 1170 C LEU A 74 -3.988 10.993 2.734 1.00 0.00 C ATOM 1171 O LEU A 74 -4.687 9.979 2.765 1.00 0.00 O ATOM 1172 CB LEU A 74 -2.115 10.997 4.392 1.00 0.00 C ATOM 1173 CG LEU A 74 -0.616 11.054 4.691 1.00 0.00 C ATOM 1174 CD1 LEU A 74 -0.369 11.655 6.066 1.00 0.00 C ATOM 1175 CD2 LEU A 74 -0.002 9.665 4.596 1.00 0.00 C ATOM 0 H LEU A 74 -1.623 12.806 2.692 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.137 9.943 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.588 11.886 4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.541 10.137 4.908 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.139 11.693 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.703 11.688 6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.775 12.666 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.858 11.043 6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.065 9.723 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.482 9.005 5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.148 9.271 3.590 1.00 0.00 H new ATOM 1187 N ASP A 75 -4.488 12.211 2.551 1.00 0.00 N ATOM 1188 CA ASP A 75 -5.919 12.431 2.371 1.00 0.00 C ATOM 1189 C ASP A 75 -6.434 11.685 1.144 1.00 0.00 C ATOM 1190 O ASP A 75 -7.586 11.253 1.107 1.00 0.00 O ATOM 1191 CB ASP A 75 -6.213 13.926 2.234 1.00 0.00 C ATOM 1192 CG ASP A 75 -5.747 14.720 3.440 1.00 0.00 C ATOM 1193 OD1 ASP A 75 -5.781 14.170 4.561 1.00 0.00 O ATOM 1194 OD2 ASP A 75 -5.347 15.889 3.262 1.00 0.00 O ATOM 0 H ASP A 75 -3.924 13.060 2.523 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.434 12.046 3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.723 14.309 1.339 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.285 14.072 2.098 1.00 0.00 H new ATOM 1199 N GLN A 76 -5.572 11.538 0.143 1.00 0.00 N ATOM 1200 CA GLN A 76 -5.941 10.844 -1.086 1.00 0.00 C ATOM 1201 C GLN A 76 -6.199 9.365 -0.820 1.00 0.00 C ATOM 1202 O GLN A 76 -7.015 8.736 -1.493 1.00 0.00 O ATOM 1203 CB GLN A 76 -4.838 11.000 -2.134 1.00 0.00 C ATOM 1204 CG GLN A 76 -4.459 12.448 -2.409 1.00 0.00 C ATOM 1205 CD GLN A 76 -4.502 12.792 -3.885 1.00 0.00 C ATOM 1206 OE1 GLN A 76 -5.194 12.140 -4.667 1.00 0.00 O ATOM 1207 NE2 GLN A 76 -3.760 13.822 -4.274 1.00 0.00 N ATOM 0 H GLN A 76 -4.615 11.889 0.158 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.860 11.292 -1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.953 10.458 -1.801 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.164 10.536 -3.065 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.137 13.106 -1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.456 12.636 -2.025 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.201 14.335 -3.592 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.749 14.101 -5.255 1.00 0.00 H new ATOM 1216 N LEU A 77 -5.498 8.814 0.167 1.00 0.00 N ATOM 1217 CA LEU A 77 -5.652 7.408 0.522 1.00 0.00 C ATOM 1218 C LEU A 77 -7.090 7.103 0.929 1.00 0.00 C ATOM 1219 O LEU A 77 -7.855 8.006 1.267 1.00 0.00 O ATOM 1220 CB LEU A 77 -4.699 7.040 1.660 1.00 0.00 C ATOM 1221 CG LEU A 77 -3.219 6.998 1.278 1.00 0.00 C ATOM 1222 CD1 LEU A 77 -2.345 7.043 2.521 1.00 0.00 C ATOM 1223 CD2 LEU A 77 -2.917 5.754 0.455 1.00 0.00 C ATOM 0 H LEU A 77 -4.818 9.320 0.735 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.407 6.809 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.829 7.759 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.985 6.064 2.052 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.995 7.875 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.295 7.012 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.542 7.963 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.570 6.186 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.859 5.740 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.158 4.865 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.517 5.765 -0.455 1.00 0.00 H new ATOM 1235 N VAL A 78 -7.450 5.825 0.894 1.00 0.00 N ATOM 1236 CA VAL A 78 -8.797 5.400 1.260 1.00 0.00 C ATOM 1237 C VAL A 78 -8.762 4.125 2.097 1.00 0.00 C ATOM 1238 O VAL A 78 -7.856 3.304 1.959 1.00 0.00 O ATOM 1239 CB VAL A 78 -9.667 5.156 0.012 1.00 0.00 C ATOM 1240 CG1 VAL A 78 -11.114 4.910 0.410 1.00 0.00 C ATOM 1241 CG2 VAL A 78 -9.562 6.330 -0.949 1.00 0.00 C ATOM 0 H VAL A 78 -6.829 5.065 0.616 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.235 6.207 1.848 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.299 4.266 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.713 4.740 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.170 4.034 1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.497 5.780 0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.183 6.140 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.903 7.238 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.525 6.454 -1.260 1.00 0.00 H new ATOM 1251 N GLU A 79 -9.756 3.967 2.965 1.00 0.00 N ATOM 1252 CA GLU A 79 -9.839 2.792 3.824 1.00 0.00 C ATOM 1253 C GLU A 79 -10.275 1.566 3.029 1.00 0.00 C ATOM 1254 O GLU A 79 -11.364 1.540 2.456 1.00 0.00 O ATOM 1255 CB GLU A 79 -10.817 3.042 4.973 1.00 0.00 C ATOM 1256 CG GLU A 79 -10.814 1.945 6.025 1.00 0.00 C ATOM 1257 CD GLU A 79 -12.108 1.891 6.813 1.00 0.00 C ATOM 1258 OE1 GLU A 79 -13.188 1.970 6.189 1.00 0.00 O ATOM 1259 OE2 GLU A 79 -12.043 1.767 8.054 1.00 0.00 O ATOM 0 H GLU A 79 -10.514 4.637 3.092 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.847 2.603 4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.570 3.991 5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.824 3.142 4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.647 0.983 5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.982 2.106 6.710 1.00 0.00 H new ATOM 1266 N GLY A 80 -9.416 0.552 2.997 1.00 0.00 N ATOM 1267 CA GLY A 80 -9.730 -0.663 2.269 1.00 0.00 C ATOM 1268 C GLY A 80 -9.360 -0.572 0.801 1.00 0.00 C ATOM 1269 O GLY A 80 -10.173 -0.877 -0.071 1.00 0.00 O ATOM 0 H GLY A 80 -8.508 0.550 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.201 -1.501 2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.796 -0.872 2.360 1.00 0.00 H new ATOM 1273 N GLU A 81 -8.130 -0.150 0.529 1.00 0.00 N ATOM 1274 CA GLU A 81 -7.652 -0.019 -0.843 1.00 0.00 C ATOM 1275 C GLU A 81 -6.228 -0.547 -0.976 1.00 0.00 C ATOM 1276 O GLU A 81 -5.507 -0.674 0.013 1.00 0.00 O ATOM 1277 CB GLU A 81 -7.712 1.444 -1.287 1.00 0.00 C ATOM 1278 CG GLU A 81 -9.037 1.835 -1.919 1.00 0.00 C ATOM 1279 CD GLU A 81 -9.250 1.192 -3.275 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -8.791 1.768 -4.283 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -9.875 0.112 -3.328 1.00 0.00 O ATOM 0 H GLU A 81 -7.446 0.107 1.240 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.300 -0.613 -1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.528 2.084 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.910 1.631 -2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.851 1.548 -1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.079 2.919 -2.025 1.00 0.00 H new ATOM 1288 N SER A 82 -5.828 -0.853 -2.207 1.00 0.00 N ATOM 1289 CA SER A 82 -4.490 -1.367 -2.471 1.00 0.00 C ATOM 1290 C SER A 82 -3.741 -0.462 -3.444 1.00 0.00 C ATOM 1291 O SER A 82 -4.337 0.114 -4.355 1.00 0.00 O ATOM 1292 CB SER A 82 -4.568 -2.786 -3.035 1.00 0.00 C ATOM 1293 OG SER A 82 -5.492 -3.575 -2.307 1.00 0.00 O ATOM 0 H SER A 82 -6.413 -0.753 -3.037 1.00 0.00 H new ATOM 0 HA SER A 82 -3.944 -1.387 -1.528 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.864 -2.748 -4.083 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.582 -3.249 -2.999 1.00 0.00 H new ATOM 0 HG SER A 82 -5.524 -4.477 -2.689 1.00 0.00 H new ATOM 1299 N TYR A 83 -2.434 -0.338 -3.243 1.00 0.00 N ATOM 1300 CA TYR A 83 -1.604 0.497 -4.103 1.00 0.00 C ATOM 1301 C TYR A 83 -0.213 -0.107 -4.272 1.00 0.00 C ATOM 1302 O TYR A 83 0.228 -0.912 -3.452 1.00 0.00 O ATOM 1303 CB TYR A 83 -1.492 1.908 -3.523 1.00 0.00 C ATOM 1304 CG TYR A 83 -2.825 2.523 -3.162 1.00 0.00 C ATOM 1305 CD1 TYR A 83 -3.488 2.154 -1.997 1.00 0.00 C ATOM 1306 CD2 TYR A 83 -3.421 3.471 -3.984 1.00 0.00 C ATOM 1307 CE1 TYR A 83 -4.707 2.714 -1.664 1.00 0.00 C ATOM 1308 CE2 TYR A 83 -4.640 4.035 -3.656 1.00 0.00 C ATOM 1309 CZ TYR A 83 -5.278 3.653 -2.496 1.00 0.00 C ATOM 1310 OH TYR A 83 -6.492 4.211 -2.166 1.00 0.00 O ATOM 0 H TYR A 83 -1.926 -0.805 -2.492 1.00 0.00 H new ATOM 0 HA TYR A 83 -2.078 0.550 -5.083 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -0.863 1.877 -2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -0.989 2.550 -4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.044 1.419 -1.342 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.924 3.772 -4.894 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.210 2.417 -0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.090 4.771 -4.306 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.754 4.855 -2.856 1.00 0.00 H new ATOM 1320 N VAL A 84 0.471 0.286 -5.340 1.00 0.00 N ATOM 1321 CA VAL A 84 1.811 -0.218 -5.617 1.00 0.00 C ATOM 1322 C VAL A 84 2.869 0.835 -5.300 1.00 0.00 C ATOM 1323 O VAL A 84 2.721 2.005 -5.656 1.00 0.00 O ATOM 1324 CB VAL A 84 1.958 -0.650 -7.088 1.00 0.00 C ATOM 1325 CG1 VAL A 84 3.287 -1.354 -7.309 1.00 0.00 C ATOM 1326 CG2 VAL A 84 0.798 -1.544 -7.499 1.00 0.00 C ATOM 0 H VAL A 84 0.120 0.952 -6.028 1.00 0.00 H new ATOM 0 HA VAL A 84 1.961 -1.087 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 84 1.939 0.243 -7.713 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.372 -1.651 -8.354 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.104 -0.677 -7.057 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.340 -2.239 -6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.918 -1.840 -8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.783 -2.433 -6.869 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.140 -1.000 -7.382 1.00 0.00 H new ATOM 1336 N CYS A 85 3.936 0.412 -4.631 1.00 0.00 N ATOM 1337 CA CYS A 85 5.019 1.317 -4.266 1.00 0.00 C ATOM 1338 C CYS A 85 6.047 1.415 -5.390 1.00 0.00 C ATOM 1339 O CYS A 85 6.563 0.404 -5.862 1.00 0.00 O ATOM 1340 CB CYS A 85 5.697 0.844 -2.979 1.00 0.00 C ATOM 1341 SG CYS A 85 4.882 1.406 -1.466 1.00 0.00 S ATOM 0 H CYS A 85 4.074 -0.553 -4.330 1.00 0.00 H new ATOM 0 HA CYS A 85 4.592 2.306 -4.100 1.00 0.00 H new ATOM 0 HB2 CYS A 85 5.730 -0.245 -2.978 1.00 0.00 H new ATOM 0 HB3 CYS A 85 6.729 1.194 -2.975 1.00 0.00 H new ATOM 0 HG CYS A 85 4.308 2.552 -1.682 1.00 0.00 H new ATOM 1347 N GLY A 86 6.340 2.642 -5.811 1.00 0.00 N ATOM 1348 CA GLY A 86 7.305 2.850 -6.874 1.00 0.00 C ATOM 1349 C GLY A 86 8.363 3.871 -6.506 1.00 0.00 C ATOM 1350 O GLY A 86 8.315 4.461 -5.426 1.00 0.00 O ATOM 0 H GLY A 86 5.926 3.495 -5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.787 1.902 -7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.785 3.179 -7.774 1.00 0.00 H new ATOM 1354 N SER A 87 9.320 4.079 -7.403 1.00 0.00 N ATOM 1355 CA SER A 87 10.395 5.036 -7.164 1.00 0.00 C ATOM 1356 C SER A 87 10.763 5.772 -8.449 1.00 0.00 C ATOM 1357 O SER A 87 10.689 6.999 -8.516 1.00 0.00 O ATOM 1358 CB SER A 87 11.625 4.322 -6.601 1.00 0.00 C ATOM 1359 OG SER A 87 12.626 5.252 -6.224 1.00 0.00 O ATOM 0 H SER A 87 9.374 3.599 -8.301 1.00 0.00 H new ATOM 0 HA SER A 87 10.043 5.767 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.338 3.722 -5.738 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.024 3.635 -7.347 1.00 0.00 H new ATOM 0 HG SER A 87 12.391 5.654 -5.362 1.00 0.00 H new ATOM 1365 N ILE A 88 11.163 5.014 -9.464 1.00 0.00 N ATOM 1366 CA ILE A 88 11.544 5.594 -10.747 1.00 0.00 C ATOM 1367 C ILE A 88 10.970 4.790 -11.909 1.00 0.00 C ATOM 1368 O ILE A 88 10.440 5.356 -12.866 1.00 0.00 O ATOM 1369 CB ILE A 88 13.075 5.672 -10.897 1.00 0.00 C ATOM 1370 CG1 ILE A 88 13.707 4.304 -10.638 1.00 0.00 C ATOM 1371 CG2 ILE A 88 13.647 6.715 -9.949 1.00 0.00 C ATOM 1372 CD1 ILE A 88 13.927 3.491 -11.895 1.00 0.00 C ATOM 0 H ILE A 88 11.232 3.997 -9.424 1.00 0.00 H new ATOM 0 HA ILE A 88 11.133 6.603 -10.770 1.00 0.00 H new ATOM 0 HB ILE A 88 13.310 5.970 -11.919 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.663 4.444 -10.134 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.068 3.741 -9.958 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.730 6.759 -10.066 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.217 7.690 -10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.404 6.445 -8.921 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.378 2.533 -11.635 1.00 0.00 H new ATOM 0 HD12 ILE A 88 12.971 3.319 -12.389 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.591 4.034 -12.568 1.00 0.00 H new ATOM 1384 N GLU A 89 11.078 3.468 -11.821 1.00 0.00 N ATOM 1385 CA GLU A 89 10.569 2.586 -12.866 1.00 0.00 C ATOM 1386 C GLU A 89 9.079 2.822 -13.102 1.00 0.00 C ATOM 1387 O GLU A 89 8.365 3.275 -12.207 1.00 0.00 O ATOM 1388 CB GLU A 89 10.812 1.123 -12.491 1.00 0.00 C ATOM 1389 CG GLU A 89 10.083 0.690 -11.229 1.00 0.00 C ATOM 1390 CD GLU A 89 11.020 0.141 -10.171 1.00 0.00 C ATOM 1391 OE1 GLU A 89 11.501 -1.000 -10.337 1.00 0.00 O ATOM 1392 OE2 GLU A 89 11.273 0.852 -9.176 1.00 0.00 O ATOM 0 H GLU A 89 11.514 2.983 -11.036 1.00 0.00 H new ATOM 0 HA GLU A 89 11.104 2.812 -13.788 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.498 0.487 -13.319 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.882 0.964 -12.356 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.538 1.540 -10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.344 -0.070 -11.484 1.00 0.00 H new ATOM 1399 N PRO A 90 8.589 2.518 -14.317 1.00 0.00 N ATOM 1400 CA PRO A 90 7.176 2.700 -14.665 1.00 0.00 C ATOM 1401 C PRO A 90 6.264 1.746 -13.902 1.00 0.00 C ATOM 1402 O PRO A 90 6.726 0.773 -13.304 1.00 0.00 O ATOM 1403 CB PRO A 90 7.134 2.394 -16.165 1.00 0.00 C ATOM 1404 CG PRO A 90 8.315 1.520 -16.409 1.00 0.00 C ATOM 1405 CD PRO A 90 9.371 1.974 -15.441 1.00 0.00 C ATOM 0 HA PRO A 90 6.821 3.699 -14.411 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.207 1.892 -16.440 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.189 3.308 -16.757 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.064 0.471 -16.250 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.663 1.612 -17.438 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.009 1.148 -15.125 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.022 2.729 -15.881 1.00 0.00 H new ATOM 1413 N PHE A 91 4.967 2.032 -13.924 1.00 0.00 N ATOM 1414 CA PHE A 91 3.988 1.201 -13.233 1.00 0.00 C ATOM 1415 C PHE A 91 3.917 -0.190 -13.856 1.00 0.00 C ATOM 1416 O PHE A 91 3.923 -0.334 -15.079 1.00 0.00 O ATOM 1417 CB PHE A 91 2.609 1.861 -13.271 1.00 0.00 C ATOM 1418 CG PHE A 91 1.588 1.169 -12.413 1.00 0.00 C ATOM 1419 CD1 PHE A 91 1.595 1.334 -11.036 1.00 0.00 C ATOM 1420 CD2 PHE A 91 0.622 0.355 -12.982 1.00 0.00 C ATOM 1421 CE1 PHE A 91 0.658 0.699 -10.244 1.00 0.00 C ATOM 1422 CE2 PHE A 91 -0.318 -0.283 -12.195 1.00 0.00 C ATOM 1423 CZ PHE A 91 -0.300 -0.111 -10.824 1.00 0.00 C ATOM 0 H PHE A 91 4.569 2.834 -14.413 1.00 0.00 H new ATOM 0 HA PHE A 91 4.305 1.098 -12.195 1.00 0.00 H new ATOM 0 HB2 PHE A 91 2.702 2.897 -12.946 1.00 0.00 H new ATOM 0 HB3 PHE A 91 2.253 1.881 -14.301 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.341 1.966 -10.578 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.603 0.217 -14.053 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.674 0.835 -9.173 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.066 -0.915 -12.651 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.033 -0.609 -10.207 1.00 0.00 H new ATOM 1433 N LYS A 92 3.847 -1.211 -13.007 1.00 0.00 N ATOM 1434 CA LYS A 92 3.774 -2.591 -13.475 1.00 0.00 C ATOM 1435 C LYS A 92 2.454 -3.234 -13.061 1.00 0.00 C ATOM 1436 O LYS A 92 2.221 -3.490 -11.879 1.00 0.00 O ATOM 1437 CB LYS A 92 4.949 -3.400 -12.923 1.00 0.00 C ATOM 1438 CG LYS A 92 6.004 -3.730 -13.968 1.00 0.00 C ATOM 1439 CD LYS A 92 7.296 -4.206 -13.323 1.00 0.00 C ATOM 1440 CE LYS A 92 8.514 -3.654 -14.047 1.00 0.00 C ATOM 1441 NZ LYS A 92 8.555 -4.081 -15.473 1.00 0.00 N ATOM 0 H LYS A 92 3.839 -1.109 -11.992 1.00 0.00 H new ATOM 0 HA LYS A 92 3.828 -2.586 -14.564 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.415 -2.841 -12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.571 -4.328 -12.494 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.625 -4.501 -14.639 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.203 -2.848 -14.577 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.319 -3.894 -12.279 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.329 -5.295 -13.331 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.505 -2.565 -13.994 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.419 -3.990 -13.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.456 -3.784 -15.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.470 -5.116 -15.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.767 -3.641 -15.990 1.00 0.00 H new ATOM 1455 N LYS A 93 1.594 -3.493 -14.040 1.00 0.00 N ATOM 1456 CA LYS A 93 0.298 -4.108 -13.777 1.00 0.00 C ATOM 1457 C LYS A 93 0.436 -5.616 -13.600 1.00 0.00 C ATOM 1458 O LYS A 93 0.636 -6.348 -14.569 1.00 0.00 O ATOM 1459 CB LYS A 93 -0.675 -3.802 -14.916 1.00 0.00 C ATOM 1460 CG LYS A 93 -2.118 -3.652 -14.461 1.00 0.00 C ATOM 1461 CD LYS A 93 -2.879 -4.963 -14.581 1.00 0.00 C ATOM 1462 CE LYS A 93 -3.837 -5.160 -13.418 1.00 0.00 C ATOM 1463 NZ LYS A 93 -5.199 -4.642 -13.726 1.00 0.00 N ATOM 0 H LYS A 93 1.771 -3.287 -15.023 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.094 -3.688 -12.851 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.362 -2.884 -15.413 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.617 -4.600 -15.656 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.141 -3.310 -13.426 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.612 -2.887 -15.060 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.435 -4.977 -15.518 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.173 -5.793 -14.617 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.899 -6.221 -13.174 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.446 -4.652 -12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.822 -4.795 -12.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.145 -3.624 -13.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.583 -5.144 -14.552 1.00 0.00 H new ATOM 1477 N LEU A 94 0.329 -6.074 -12.358 1.00 0.00 N ATOM 1478 CA LEU A 94 0.442 -7.495 -12.055 1.00 0.00 C ATOM 1479 C LEU A 94 -0.644 -7.933 -11.078 1.00 0.00 C ATOM 1480 O LEU A 94 -0.978 -7.209 -10.140 1.00 0.00 O ATOM 1481 CB LEU A 94 1.823 -7.806 -11.471 1.00 0.00 C ATOM 1482 CG LEU A 94 3.005 -7.360 -12.334 1.00 0.00 C ATOM 1483 CD1 LEU A 94 4.284 -7.334 -11.513 1.00 0.00 C ATOM 1484 CD2 LEU A 94 3.159 -8.277 -13.538 1.00 0.00 C ATOM 0 H LEU A 94 0.164 -5.481 -11.544 1.00 0.00 H new ATOM 0 HA LEU A 94 0.314 -8.049 -12.985 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.904 -7.328 -10.495 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.898 -8.881 -11.306 1.00 0.00 H new ATOM 0 HG LEU A 94 2.809 -6.350 -12.694 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.114 -7.015 -12.143 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.169 -6.637 -10.683 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.487 -8.332 -11.124 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.004 -7.946 -14.142 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.334 -9.298 -13.198 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.250 -8.245 -14.138 1.00 0.00 H new ATOM 1496 N GLU A 95 -1.193 -9.123 -11.304 1.00 0.00 N ATOM 1497 CA GLU A 95 -2.241 -9.656 -10.442 1.00 0.00 C ATOM 1498 C GLU A 95 -1.729 -9.849 -9.019 1.00 0.00 C ATOM 1499 O GLU A 95 -1.102 -10.860 -8.704 1.00 0.00 O ATOM 1500 CB GLU A 95 -2.756 -10.986 -10.996 1.00 0.00 C ATOM 1501 CG GLU A 95 -3.656 -10.832 -12.212 1.00 0.00 C ATOM 1502 CD GLU A 95 -2.880 -10.500 -13.472 1.00 0.00 C ATOM 1503 OE1 GLU A 95 -2.566 -9.310 -13.680 1.00 0.00 O ATOM 1504 OE2 GLU A 95 -2.586 -11.432 -14.250 1.00 0.00 O ATOM 0 H GLU A 95 -0.929 -9.735 -12.076 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.060 -8.937 -10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.905 -11.613 -11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.305 -11.508 -10.212 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.214 -11.756 -12.366 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.387 -10.046 -12.022 1.00 0.00 H new ATOM 1511 N TYR A 96 -1.998 -8.870 -8.162 1.00 0.00 N ATOM 1512 CA TYR A 96 -1.563 -8.929 -6.770 1.00 0.00 C ATOM 1513 C TYR A 96 -2.619 -9.595 -5.895 1.00 0.00 C ATOM 1514 O TYR A 96 -2.347 -10.594 -5.228 1.00 0.00 O ATOM 1515 CB TYR A 96 -1.266 -7.523 -6.247 1.00 0.00 C ATOM 1516 CG TYR A 96 -0.173 -6.808 -7.010 1.00 0.00 C ATOM 1517 CD1 TYR A 96 1.157 -7.186 -6.872 1.00 0.00 C ATOM 1518 CD2 TYR A 96 -0.471 -5.757 -7.867 1.00 0.00 C ATOM 1519 CE1 TYR A 96 2.159 -6.535 -7.567 1.00 0.00 C ATOM 1520 CE2 TYR A 96 0.525 -5.101 -8.565 1.00 0.00 C ATOM 1521 CZ TYR A 96 1.838 -5.494 -8.413 1.00 0.00 C ATOM 1522 OH TYR A 96 2.832 -4.844 -9.107 1.00 0.00 O ATOM 0 H TYR A 96 -2.515 -8.026 -8.406 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.653 -9.527 -6.727 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -2.178 -6.928 -6.293 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -0.981 -7.588 -5.197 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.412 -8.001 -6.211 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.498 -5.447 -7.990 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.188 -6.840 -7.448 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.276 -4.284 -9.226 1.00 0.00 H new ATOM 0 HH TYR A 96 2.463 -4.472 -9.935 1.00 0.00 H new ATOM 1532 N THR A 97 -3.825 -9.035 -5.899 1.00 0.00 N ATOM 1533 CA THR A 97 -4.925 -9.570 -5.102 1.00 0.00 C ATOM 1534 C THR A 97 -5.128 -11.060 -5.366 1.00 0.00 C ATOM 1535 O THR A 97 -5.602 -11.794 -4.499 1.00 0.00 O ATOM 1536 CB THR A 97 -6.215 -8.807 -5.404 1.00 0.00 C ATOM 1537 OG1 THR A 97 -6.509 -8.846 -6.789 1.00 0.00 O ATOM 1538 CG2 THR A 97 -6.163 -7.354 -4.986 1.00 0.00 C ATOM 0 H THR A 97 -4.066 -8.209 -6.447 1.00 0.00 H new ATOM 0 HA THR A 97 -4.669 -9.443 -4.050 1.00 0.00 H new ATOM 0 HB THR A 97 -6.989 -9.308 -4.822 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.339 -8.354 -6.961 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.110 -6.871 -5.229 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.988 -7.290 -3.912 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.353 -6.852 -5.516 1.00 0.00 H new ATOM 1546 N LYS A 98 -4.771 -11.500 -6.568 1.00 0.00 N ATOM 1547 CA LYS A 98 -4.916 -12.902 -6.941 1.00 0.00 C ATOM 1548 C LYS A 98 -4.091 -13.800 -6.026 1.00 0.00 C ATOM 1549 O LYS A 98 -4.507 -14.908 -5.686 1.00 0.00 O ATOM 1550 CB LYS A 98 -4.494 -13.112 -8.397 1.00 0.00 C ATOM 1551 CG LYS A 98 -5.528 -12.636 -9.405 1.00 0.00 C ATOM 1552 CD LYS A 98 -5.611 -13.569 -10.601 1.00 0.00 C ATOM 1553 CE LYS A 98 -6.681 -13.120 -11.584 1.00 0.00 C ATOM 1554 NZ LYS A 98 -8.043 -13.169 -10.985 1.00 0.00 N ATOM 0 H LYS A 98 -4.380 -10.907 -7.300 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.966 -13.172 -6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.556 -12.585 -8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.300 -14.172 -8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.504 -12.572 -8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.273 -11.632 -9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.645 -13.604 -11.104 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.830 -14.581 -10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.466 -12.104 -11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.651 -13.756 -12.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.756 -13.089 -11.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.169 -14.071 -10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.156 -12.381 -10.315 1.00 0.00 H new ATOM 1568 N ASN A 99 -2.917 -13.317 -5.631 1.00 0.00 N ATOM 1569 CA ASN A 99 -2.033 -14.078 -4.756 1.00 0.00 C ATOM 1570 C ASN A 99 -2.085 -13.545 -3.327 1.00 0.00 C ATOM 1571 O ASN A 99 -1.112 -13.647 -2.581 1.00 0.00 O ATOM 1572 CB ASN A 99 -0.596 -14.027 -5.280 1.00 0.00 C ATOM 1573 CG ASN A 99 -0.496 -14.442 -6.734 1.00 0.00 C ATOM 1574 OD1 ASN A 99 -0.450 -15.631 -7.051 1.00 0.00 O ATOM 1575 ND2 ASN A 99 -0.462 -13.461 -7.629 1.00 0.00 N ATOM 0 H ASN A 99 -2.556 -12.403 -5.903 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.375 -15.113 -4.749 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.206 -13.015 -5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.032 -14.680 -4.674 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.395 -13.680 -8.623 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.503 -12.489 -7.322 1.00 0.00 H new ATOM 1582 N VAL A 100 -3.228 -12.979 -2.951 1.00 0.00 N ATOM 1583 CA VAL A 100 -3.406 -12.431 -1.611 1.00 0.00 C ATOM 1584 C VAL A 100 -4.804 -12.730 -1.080 1.00 0.00 C ATOM 1585 O VAL A 100 -5.804 -12.355 -1.692 1.00 0.00 O ATOM 1586 CB VAL A 100 -3.173 -10.909 -1.588 1.00 0.00 C ATOM 1587 CG1 VAL A 100 -3.247 -10.374 -0.165 1.00 0.00 C ATOM 1588 CG2 VAL A 100 -1.833 -10.563 -2.222 1.00 0.00 C ATOM 0 H VAL A 100 -4.044 -12.888 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.665 -12.911 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.962 -10.434 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.080 -9.297 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.231 -10.585 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.483 -10.856 0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.686 -9.483 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.031 -11.051 -1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.820 -10.906 -3.256 1.00 0.00 H new ATOM 1598 N ASN A 101 -4.865 -13.405 0.064 1.00 0.00 N ATOM 1599 CA ASN A 101 -6.141 -13.755 0.680 1.00 0.00 C ATOM 1600 C ASN A 101 -6.977 -12.505 0.954 1.00 0.00 C ATOM 1601 O ASN A 101 -6.665 -11.729 1.856 1.00 0.00 O ATOM 1602 CB ASN A 101 -5.903 -14.515 1.987 1.00 0.00 C ATOM 1603 CG ASN A 101 -5.724 -16.004 1.766 1.00 0.00 C ATOM 1604 OD1 ASN A 101 -6.508 -16.815 2.260 1.00 0.00 O ATOM 1605 ND2 ASN A 101 -4.689 -16.371 1.021 1.00 0.00 N ATOM 0 H ASN A 101 -4.046 -13.721 0.583 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.689 -14.392 -0.014 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.017 -14.115 2.481 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -6.745 -14.349 2.659 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.518 -17.360 0.838 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.065 -15.664 0.632 1.00 0.00 H new ATOM 1612 N PRO A 102 -8.055 -12.290 0.174 1.00 0.00 N ATOM 1613 CA PRO A 102 -8.932 -11.125 0.341 1.00 0.00 C ATOM 1614 C PRO A 102 -9.694 -11.158 1.664 1.00 0.00 C ATOM 1615 O PRO A 102 -10.922 -11.250 1.685 1.00 0.00 O ATOM 1616 CB PRO A 102 -9.907 -11.221 -0.843 1.00 0.00 C ATOM 1617 CG PRO A 102 -9.298 -12.208 -1.782 1.00 0.00 C ATOM 1618 CD PRO A 102 -8.504 -13.152 -0.929 1.00 0.00 C ATOM 0 HA PRO A 102 -8.364 -10.195 0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.893 -11.549 -0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.038 -10.251 -1.323 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.067 -12.740 -2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.660 -11.710 -2.512 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.111 -13.984 -0.572 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.664 -13.582 -1.475 1.00 0.00 H new ATOM 1626 N ASN A 103 -8.958 -11.082 2.768 1.00 0.00 N ATOM 1627 CA ASN A 103 -9.564 -11.103 4.094 1.00 0.00 C ATOM 1628 C ASN A 103 -8.627 -10.483 5.126 1.00 0.00 C ATOM 1629 O ASN A 103 -8.388 -11.057 6.190 1.00 0.00 O ATOM 1630 CB ASN A 103 -9.913 -12.537 4.496 1.00 0.00 C ATOM 1631 CG ASN A 103 -11.068 -12.598 5.477 1.00 0.00 C ATOM 1632 OD1 ASN A 103 -12.152 -13.080 5.148 1.00 0.00 O ATOM 1633 ND2 ASN A 103 -10.840 -12.107 6.689 1.00 0.00 N ATOM 0 H ASN A 103 -7.941 -11.005 2.770 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.480 -10.513 4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.167 -13.110 3.604 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.037 -13.010 4.940 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.579 -12.120 7.392 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -9.926 -11.717 6.918 1.00 0.00 H new ATOM 1640 N TRP A 104 -8.099 -9.307 4.804 1.00 0.00 N ATOM 1641 CA TRP A 104 -7.187 -8.606 5.701 1.00 0.00 C ATOM 1642 C TRP A 104 -7.862 -7.384 6.315 1.00 0.00 C ATOM 1643 O TRP A 104 -7.661 -7.077 7.491 1.00 0.00 O ATOM 1644 CB TRP A 104 -5.924 -8.182 4.948 1.00 0.00 C ATOM 1645 CG TRP A 104 -6.209 -7.437 3.680 1.00 0.00 C ATOM 1646 CD1 TRP A 104 -6.562 -7.973 2.475 1.00 0.00 C ATOM 1647 CD2 TRP A 104 -6.165 -6.019 3.491 1.00 0.00 C ATOM 1648 NE1 TRP A 104 -6.741 -6.974 1.549 1.00 0.00 N ATOM 1649 CE2 TRP A 104 -6.503 -5.765 2.149 1.00 0.00 C ATOM 1650 CE3 TRP A 104 -5.873 -4.937 4.329 1.00 0.00 C ATOM 1651 CZ2 TRP A 104 -6.556 -4.476 1.625 1.00 0.00 C ATOM 1652 CZ3 TRP A 104 -5.927 -3.659 3.808 1.00 0.00 C ATOM 1653 CH2 TRP A 104 -6.266 -3.437 2.467 1.00 0.00 C ATOM 0 H TRP A 104 -8.287 -8.819 3.928 1.00 0.00 H new ATOM 0 HA TRP A 104 -6.910 -9.288 6.505 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -5.315 -7.556 5.599 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -5.334 -9.068 4.715 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -6.683 -9.028 2.278 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -7.008 -7.110 0.574 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -5.610 -5.098 5.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -6.817 -4.303 0.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -5.704 -2.816 4.445 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -6.299 -2.425 2.090 1.00 0.00 H new ATOM 1664 N SER A 105 -8.662 -6.690 5.513 1.00 0.00 N ATOM 1665 CA SER A 105 -9.366 -5.501 5.978 1.00 0.00 C ATOM 1666 C SER A 105 -10.847 -5.795 6.195 1.00 0.00 C ATOM 1667 O SER A 105 -11.692 -4.910 6.067 1.00 0.00 O ATOM 1668 CB SER A 105 -9.203 -4.359 4.973 1.00 0.00 C ATOM 1669 OG SER A 105 -9.022 -3.119 5.634 1.00 0.00 O ATOM 0 H SER A 105 -8.839 -6.930 4.538 1.00 0.00 H new ATOM 0 HA SER A 105 -8.930 -5.202 6.931 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.348 -4.558 4.327 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.082 -4.307 4.331 1.00 0.00 H new ATOM 0 HG SER A 105 -9.802 -2.932 6.197 1.00 0.00 H new