USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 590 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 12 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.275) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= -0.0148 (180deg=-0.323) USER MOD Single : A 20 LYS NZ :NH3+ -156:sc= -1.01 (180deg=-1.4) USER MOD Single : A 22 GLN : amide:sc= -0.655 K(o=-0.65,f=-3.7!) USER MOD Single : A 23 ASN : amide:sc= -4.9 K(o=-4.9,f=-9!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0132 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -6.91! C(o=-6.9!,f=-7.8!) USER MOD Single : A 35 MET CE :methyl 158:sc= -1.06 (180deg=-2.09) USER MOD Single : A 37 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.0094) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.0736 (180deg=-0.54) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.863 X(o=-0.86,f=-0.81) USER MOD Single : A 50 MET CE :methyl 175:sc= -0.778 (180deg=-0.815) USER MOD Single : A 52 LYS NZ :NH3+ 155:sc= -3.06! (180deg=-3.94!) USER MOD Single : A 61 GLN : amide:sc= -4.93! C(o=-4.9!,f=-6.1!) USER MOD Single : A 63 ASN : amide:sc= 0.152 X(o=0.15,f=0.26) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -158:sc= -1.83! (180deg=-2.52!) USER MOD Single : A 70 MET CE :methyl 159:sc= -1.12 (180deg=-1.97) USER MOD Single : A 71 MET CE :methyl -105:sc= -0.562 (180deg=-2.27!) USER MOD Single : A 72 MET CE :methyl 175:sc= 0 (180deg=-0.00943) USER MOD Single : A 73 THR OG1 : rot 82:sc= 0.858 USER MOD Single : A 81 ASN : amide:sc= -1.6! K(o=-1.6!,f=-0.015) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 14.131 -0.771 -2.317 1.00 0.00 N ATOM 108 CA GLU A 9 13.849 -0.059 -3.558 1.00 0.00 C ATOM 109 C GLU A 9 12.376 -0.198 -3.932 1.00 0.00 C ATOM 110 O GLU A 9 11.753 0.754 -4.397 1.00 0.00 O ATOM 111 CB GLU A 9 14.717 -0.617 -4.688 1.00 0.00 C ATOM 112 CG GLU A 9 16.186 -0.290 -4.411 1.00 0.00 C ATOM 113 CD GLU A 9 17.072 -0.937 -5.470 1.00 0.00 C ATOM 114 OE1 GLU A 9 16.530 -1.553 -6.372 1.00 0.00 O ATOM 115 OE2 GLU A 9 18.280 -0.806 -5.363 1.00 0.00 O ATOM 0 HA GLU A 9 14.078 0.996 -3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.582 -1.696 -4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.411 -0.188 -5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.333 0.790 -4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.467 -0.649 -3.421 1.00 0.00 H new ATOM 122 N GLU A 10 11.825 -1.387 -3.723 1.00 0.00 N ATOM 123 CA GLU A 10 10.424 -1.633 -4.043 1.00 0.00 C ATOM 124 C GLU A 10 9.519 -0.698 -3.248 1.00 0.00 C ATOM 125 O GLU A 10 8.688 0.009 -3.816 1.00 0.00 O ATOM 126 CB GLU A 10 10.063 -3.086 -3.720 1.00 0.00 C ATOM 127 CG GLU A 10 8.607 -3.355 -4.110 1.00 0.00 C ATOM 128 CD GLU A 10 8.240 -4.799 -3.798 1.00 0.00 C ATOM 129 OE1 GLU A 10 9.146 -5.612 -3.700 1.00 0.00 O ATOM 130 OE2 GLU A 10 7.057 -5.075 -3.666 1.00 0.00 O ATOM 0 H GLU A 10 12.321 -2.190 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 10 10.277 -1.447 -5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.725 -3.764 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.206 -3.279 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.946 -2.678 -3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.464 -3.157 -5.172 1.00 0.00 H new ATOM 137 N LEU A 11 9.683 -0.699 -1.932 1.00 0.00 N ATOM 138 CA LEU A 11 8.865 0.146 -1.072 1.00 0.00 C ATOM 139 C LEU A 11 9.049 1.609 -1.434 1.00 0.00 C ATOM 140 O LEU A 11 8.084 2.376 -1.464 1.00 0.00 O ATOM 141 CB LEU A 11 9.267 -0.068 0.392 1.00 0.00 C ATOM 142 CG LEU A 11 8.863 -1.480 0.836 1.00 0.00 C ATOM 143 CD1 LEU A 11 9.611 -1.848 2.120 1.00 0.00 C ATOM 144 CD2 LEU A 11 7.351 -1.533 1.099 1.00 0.00 C ATOM 0 H LEU A 11 10.369 -1.271 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 11 7.818 -0.124 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.342 0.067 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.783 0.676 1.025 1.00 0.00 H new ATOM 0 HG LEU A 11 9.118 -2.187 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.323 -2.851 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.685 -1.820 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.358 -1.135 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.071 -2.538 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.093 -0.822 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.814 -1.276 0.186 1.00 0.00 H new ATOM 156 N LYS A 12 10.289 1.998 -1.698 1.00 0.00 N ATOM 157 CA LYS A 12 10.578 3.379 -2.052 1.00 0.00 C ATOM 158 C LYS A 12 9.968 3.743 -3.403 1.00 0.00 C ATOM 159 O LYS A 12 9.228 4.723 -3.518 1.00 0.00 O ATOM 160 CB LYS A 12 12.095 3.592 -2.108 1.00 0.00 C ATOM 161 CG LYS A 12 12.408 5.098 -2.040 1.00 0.00 C ATOM 162 CD LYS A 12 12.573 5.523 -0.578 1.00 0.00 C ATOM 163 CE LYS A 12 12.708 7.042 -0.501 1.00 0.00 C ATOM 164 NZ LYS A 12 13.965 7.463 -1.180 1.00 0.00 N ATOM 0 H LYS A 12 11.103 1.383 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 12 10.138 4.022 -1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.576 3.073 -1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.498 3.168 -3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.319 5.316 -2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.605 5.668 -2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.714 5.194 0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.454 5.047 -0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.849 7.519 -0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.719 7.365 0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.172 8.454 -0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.750 6.859 -0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.851 7.370 -2.210 1.00 0.00 H new ATOM 178 N GLU A 13 10.279 2.949 -4.420 1.00 0.00 N ATOM 179 CA GLU A 13 9.757 3.199 -5.758 1.00 0.00 C ATOM 180 C GLU A 13 8.232 3.210 -5.744 1.00 0.00 C ATOM 181 O GLU A 13 7.603 4.148 -6.242 1.00 0.00 O ATOM 182 CB GLU A 13 10.251 2.115 -6.720 1.00 0.00 C ATOM 183 CG GLU A 13 11.747 2.305 -6.983 1.00 0.00 C ATOM 184 CD GLU A 13 12.273 1.162 -7.845 1.00 0.00 C ATOM 185 OE1 GLU A 13 11.871 0.034 -7.609 1.00 0.00 O ATOM 186 OE2 GLU A 13 13.071 1.431 -8.729 1.00 0.00 O ATOM 0 H GLU A 13 10.885 2.132 -4.345 1.00 0.00 H new ATOM 0 HA GLU A 13 10.114 4.173 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.069 1.128 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.697 2.167 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.919 3.258 -7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.290 2.339 -6.038 1.00 0.00 H new ATOM 193 N ALA A 14 7.642 2.171 -5.159 1.00 0.00 N ATOM 194 CA ALA A 14 6.190 2.078 -5.081 1.00 0.00 C ATOM 195 C ALA A 14 5.619 3.292 -4.357 1.00 0.00 C ATOM 196 O ALA A 14 4.663 3.912 -4.823 1.00 0.00 O ATOM 197 CB ALA A 14 5.789 0.802 -4.341 1.00 0.00 C ATOM 0 H ALA A 14 8.143 1.389 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 14 5.788 2.050 -6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.702 0.739 -4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.176 -0.065 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.202 0.821 -3.333 1.00 0.00 H new ATOM 203 N PHE A 15 6.210 3.626 -3.216 1.00 0.00 N ATOM 204 CA PHE A 15 5.744 4.766 -2.435 1.00 0.00 C ATOM 205 C PHE A 15 5.681 6.017 -3.306 1.00 0.00 C ATOM 206 O PHE A 15 4.701 6.758 -3.273 1.00 0.00 O ATOM 207 CB PHE A 15 6.696 5.013 -1.260 1.00 0.00 C ATOM 208 CG PHE A 15 6.290 6.280 -0.537 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.114 6.307 0.220 1.00 0.00 C ATOM 210 CD2 PHE A 15 7.093 7.425 -0.626 1.00 0.00 C ATOM 211 CE1 PHE A 15 4.737 7.478 0.886 1.00 0.00 C ATOM 212 CE2 PHE A 15 6.716 8.595 0.041 1.00 0.00 C ATOM 213 CZ PHE A 15 5.539 8.622 0.795 1.00 0.00 C ATOM 0 H PHE A 15 7.005 3.130 -2.814 1.00 0.00 H new ATOM 0 HA PHE A 15 4.746 4.545 -2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.671 4.166 -0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.721 5.100 -1.621 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.497 5.423 0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.002 7.404 -1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.829 7.500 1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.334 9.478 -0.026 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.248 9.527 1.308 1.00 0.00 H new ATOM 223 N LYS A 16 6.732 6.242 -4.085 1.00 0.00 N ATOM 224 CA LYS A 16 6.781 7.405 -4.964 1.00 0.00 C ATOM 225 C LYS A 16 5.675 7.333 -6.013 1.00 0.00 C ATOM 226 O LYS A 16 5.105 8.353 -6.400 1.00 0.00 O ATOM 227 CB LYS A 16 8.143 7.476 -5.659 1.00 0.00 C ATOM 228 CG LYS A 16 8.230 8.765 -6.480 1.00 0.00 C ATOM 229 CD LYS A 16 9.607 8.858 -7.139 1.00 0.00 C ATOM 230 CE LYS A 16 9.704 10.157 -7.942 1.00 0.00 C ATOM 231 NZ LYS A 16 8.773 10.094 -9.103 1.00 0.00 N ATOM 0 H LYS A 16 7.555 5.641 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 16 6.634 8.300 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.943 7.449 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.278 6.610 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.449 8.778 -7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.063 9.630 -5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.388 8.829 -6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.767 8.001 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.455 11.008 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.726 10.307 -8.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.045 10.811 -9.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.822 9.150 -9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.802 10.277 -8.779 1.00 0.00 H new ATOM 245 N VAL A 17 5.380 6.120 -6.470 1.00 0.00 N ATOM 246 CA VAL A 17 4.335 5.924 -7.472 1.00 0.00 C ATOM 247 C VAL A 17 2.955 6.177 -6.871 1.00 0.00 C ATOM 248 O VAL A 17 2.105 6.820 -7.486 1.00 0.00 O ATOM 249 CB VAL A 17 4.407 4.504 -8.030 1.00 0.00 C ATOM 250 CG1 VAL A 17 3.223 4.262 -8.969 1.00 0.00 C ATOM 251 CG2 VAL A 17 5.717 4.328 -8.804 1.00 0.00 C ATOM 0 H VAL A 17 5.844 5.264 -6.167 1.00 0.00 H new ATOM 0 HA VAL A 17 4.495 6.637 -8.281 1.00 0.00 H new ATOM 0 HB VAL A 17 4.369 3.788 -7.209 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.275 3.248 -9.367 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.291 4.388 -8.419 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.259 4.977 -9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.771 3.315 -9.203 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.754 5.044 -9.625 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.561 4.499 -8.135 1.00 0.00 H new ATOM 261 N PHE A 18 2.735 5.650 -5.672 1.00 0.00 N ATOM 262 CA PHE A 18 1.453 5.818 -5.002 1.00 0.00 C ATOM 263 C PHE A 18 1.176 7.285 -4.721 1.00 0.00 C ATOM 264 O PHE A 18 0.069 7.772 -4.954 1.00 0.00 O ATOM 265 CB PHE A 18 1.442 5.023 -3.682 1.00 0.00 C ATOM 266 CG PHE A 18 0.820 3.664 -3.903 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.568 3.513 -3.794 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.623 2.568 -4.221 1.00 0.00 C ATOM 269 CE1 PHE A 18 -1.152 2.261 -4.003 1.00 0.00 C ATOM 270 CE2 PHE A 18 1.041 1.314 -4.430 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.348 1.161 -4.320 1.00 0.00 C ATOM 0 H PHE A 18 3.422 5.107 -5.148 1.00 0.00 H new ATOM 0 HA PHE A 18 0.671 5.439 -5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.459 4.910 -3.307 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.882 5.570 -2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.187 4.364 -3.549 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.693 2.688 -4.306 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.222 2.143 -3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.661 0.464 -4.676 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.798 0.192 -4.480 1.00 0.00 H new ATOM 281 N ASP A 19 2.183 7.984 -4.211 1.00 0.00 N ATOM 282 CA ASP A 19 2.031 9.399 -3.891 1.00 0.00 C ATOM 283 C ASP A 19 2.510 10.266 -5.052 1.00 0.00 C ATOM 284 O ASP A 19 3.541 10.932 -4.959 1.00 0.00 O ATOM 285 CB ASP A 19 2.839 9.735 -2.631 1.00 0.00 C ATOM 286 CG ASP A 19 2.308 11.019 -2.000 1.00 0.00 C ATOM 287 OD1 ASP A 19 1.099 11.143 -1.887 1.00 0.00 O ATOM 288 OD2 ASP A 19 3.114 11.858 -1.637 1.00 0.00 O ATOM 0 H ASP A 19 3.106 7.599 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 19 0.975 9.603 -3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.773 8.914 -1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.892 9.853 -2.885 1.00 0.00 H new ATOM 293 N LYS A 20 1.755 10.254 -6.142 1.00 0.00 N ATOM 294 CA LYS A 20 2.113 11.039 -7.315 1.00 0.00 C ATOM 295 C LYS A 20 2.316 12.501 -6.931 1.00 0.00 C ATOM 296 O LYS A 20 3.117 13.208 -7.543 1.00 0.00 O ATOM 297 CB LYS A 20 1.009 10.928 -8.373 1.00 0.00 C ATOM 298 CG LYS A 20 -0.267 11.595 -7.855 1.00 0.00 C ATOM 299 CD LYS A 20 -1.388 11.416 -8.878 1.00 0.00 C ATOM 300 CE LYS A 20 -2.550 12.347 -8.530 1.00 0.00 C ATOM 301 NZ LYS A 20 -3.171 11.912 -7.248 1.00 0.00 N ATOM 0 H LYS A 20 0.896 9.713 -6.238 1.00 0.00 H new ATOM 0 HA LYS A 20 3.045 10.651 -7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.330 11.404 -9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.816 9.880 -8.603 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.558 11.156 -6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.089 12.655 -7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.019 11.636 -9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.727 10.380 -8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.194 13.373 -8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.292 12.333 -9.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.155 12.246 -7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.155 10.874 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.637 12.312 -6.450 1.00 0.00 H new ATOM 315 N ASP A 21 1.577 12.949 -5.918 1.00 0.00 N ATOM 316 CA ASP A 21 1.683 14.331 -5.464 1.00 0.00 C ATOM 317 C ASP A 21 2.923 14.509 -4.593 1.00 0.00 C ATOM 318 O ASP A 21 3.320 15.632 -4.282 1.00 0.00 O ATOM 319 CB ASP A 21 0.435 14.717 -4.670 1.00 0.00 C ATOM 320 CG ASP A 21 0.417 13.986 -3.331 1.00 0.00 C ATOM 321 OD1 ASP A 21 1.262 13.131 -3.136 1.00 0.00 O ATOM 322 OD2 ASP A 21 -0.437 14.299 -2.521 1.00 0.00 O ATOM 0 H ASP A 21 0.905 12.381 -5.402 1.00 0.00 H new ATOM 0 HA ASP A 21 1.769 14.979 -6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.419 15.794 -4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.460 14.468 -5.241 1.00 0.00 H new ATOM 327 N GLN A 22 3.531 13.393 -4.206 1.00 0.00 N ATOM 328 CA GLN A 22 4.728 13.436 -3.373 1.00 0.00 C ATOM 329 C GLN A 22 4.537 14.395 -2.199 1.00 0.00 C ATOM 330 O GLN A 22 5.471 15.087 -1.792 1.00 0.00 O ATOM 331 CB GLN A 22 5.928 13.884 -4.215 1.00 0.00 C ATOM 332 CG GLN A 22 7.229 13.433 -3.543 1.00 0.00 C ATOM 333 CD GLN A 22 7.373 11.919 -3.657 1.00 0.00 C ATOM 334 OE1 GLN A 22 6.941 11.327 -4.646 1.00 0.00 O ATOM 335 NE2 GLN A 22 7.962 11.254 -2.702 1.00 0.00 N ATOM 0 H GLN A 22 3.218 12.454 -4.453 1.00 0.00 H new ATOM 0 HA GLN A 22 4.911 12.437 -2.978 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.859 13.461 -5.217 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.922 14.968 -4.326 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.081 13.925 -4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.229 13.729 -2.494 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.319 11.746 -1.883 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.065 10.242 -2.774 1.00 0.00 H new ATOM 344 N ASN A 23 3.322 14.439 -1.666 1.00 0.00 N ATOM 345 CA ASN A 23 3.024 15.317 -0.543 1.00 0.00 C ATOM 346 C ASN A 23 3.707 14.816 0.720 1.00 0.00 C ATOM 347 O ASN A 23 3.879 15.566 1.682 1.00 0.00 O ATOM 348 CB ASN A 23 1.515 15.380 -0.318 1.00 0.00 C ATOM 349 CG ASN A 23 1.001 14.029 0.175 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.412 12.985 -0.330 1.00 0.00 O ATOM 351 ND2 ASN A 23 0.122 13.988 1.138 1.00 0.00 N ATOM 0 H ASN A 23 2.533 13.881 -1.991 1.00 0.00 H new ATOM 0 HA ASN A 23 3.398 16.314 -0.774 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.280 16.155 0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.012 15.653 -1.246 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.226 13.090 1.473 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.218 14.854 1.556 1.00 0.00 H new ATOM 358 N GLY A 24 4.100 13.543 0.716 1.00 0.00 N ATOM 359 CA GLY A 24 4.769 12.947 1.873 1.00 0.00 C ATOM 360 C GLY A 24 3.958 11.787 2.431 1.00 0.00 C ATOM 361 O GLY A 24 4.508 10.878 3.051 1.00 0.00 O ATOM 0 H GLY A 24 3.968 12.907 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.760 12.597 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.910 13.703 2.646 1.00 0.00 H new ATOM 365 N TYR A 25 2.647 11.821 2.210 1.00 0.00 N ATOM 366 CA TYR A 25 1.767 10.758 2.700 1.00 0.00 C ATOM 367 C TYR A 25 0.743 10.382 1.640 1.00 0.00 C ATOM 368 O TYR A 25 0.261 11.237 0.905 1.00 0.00 O ATOM 369 CB TYR A 25 1.049 11.223 3.966 1.00 0.00 C ATOM 370 CG TYR A 25 2.025 11.959 4.857 1.00 0.00 C ATOM 371 CD1 TYR A 25 3.140 11.291 5.378 1.00 0.00 C ATOM 372 CD2 TYR A 25 1.814 13.310 5.163 1.00 0.00 C ATOM 373 CE1 TYR A 25 4.041 11.970 6.203 1.00 0.00 C ATOM 374 CE2 TYR A 25 2.716 13.990 5.987 1.00 0.00 C ATOM 375 CZ TYR A 25 3.829 13.320 6.508 1.00 0.00 C ATOM 376 OH TYR A 25 4.719 13.993 7.321 1.00 0.00 O ATOM 0 H TYR A 25 2.171 12.565 1.700 1.00 0.00 H new ATOM 0 HA TYR A 25 2.374 9.882 2.927 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.215 11.875 3.706 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.631 10.367 4.495 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.304 10.250 5.142 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.954 13.826 4.762 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.900 11.454 6.605 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.554 15.032 6.221 1.00 0.00 H new ATOM 0 HH TYR A 25 4.424 14.921 7.430 1.00 0.00 H new ATOM 386 N ILE A 26 0.412 9.096 1.573 1.00 0.00 N ATOM 387 CA ILE A 26 -0.563 8.615 0.596 1.00 0.00 C ATOM 388 C ILE A 26 -1.979 8.857 1.098 1.00 0.00 C ATOM 389 O ILE A 26 -2.272 8.642 2.274 1.00 0.00 O ATOM 390 CB ILE A 26 -0.357 7.127 0.335 1.00 0.00 C ATOM 391 CG1 ILE A 26 1.034 6.904 -0.263 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.419 6.626 -0.643 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.347 5.406 -0.277 1.00 0.00 C ATOM 0 H ILE A 26 0.800 8.372 2.178 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.419 9.164 -0.335 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.443 6.579 1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.075 7.305 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.783 7.438 0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.270 5.562 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.410 6.785 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.336 7.173 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.337 5.245 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.323 5.020 0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.604 4.885 -0.880 1.00 0.00 H new ATOM 405 N SER A 27 -2.854 9.314 0.204 1.00 0.00 N ATOM 406 CA SER A 27 -4.245 9.591 0.570 1.00 0.00 C ATOM 407 C SER A 27 -5.181 8.581 -0.085 1.00 0.00 C ATOM 408 O SER A 27 -4.860 7.998 -1.120 1.00 0.00 O ATOM 409 CB SER A 27 -4.624 11.001 0.128 1.00 0.00 C ATOM 410 OG SER A 27 -5.968 11.265 0.511 1.00 0.00 O ATOM 0 H SER A 27 -2.628 9.500 -0.773 1.00 0.00 H new ATOM 0 HA SER A 27 -4.343 9.510 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.954 11.730 0.583 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.515 11.098 -0.952 1.00 0.00 H new ATOM 0 HG SER A 27 -6.216 12.171 0.231 1.00 0.00 H new ATOM 416 N ALA A 28 -6.339 8.377 0.532 1.00 0.00 N ATOM 417 CA ALA A 28 -7.315 7.431 0.005 1.00 0.00 C ATOM 418 C ALA A 28 -7.567 7.691 -1.476 1.00 0.00 C ATOM 419 O ALA A 28 -7.620 6.759 -2.278 1.00 0.00 O ATOM 420 CB ALA A 28 -8.635 7.563 0.773 1.00 0.00 C ATOM 0 H ALA A 28 -6.623 8.849 1.390 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.918 6.423 0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.360 6.854 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.464 7.353 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.020 8.577 0.662 1.00 0.00 H new ATOM 426 N SER A 29 -7.719 8.961 -1.833 1.00 0.00 N ATOM 427 CA SER A 29 -7.977 9.324 -3.223 1.00 0.00 C ATOM 428 C SER A 29 -6.870 8.792 -4.131 1.00 0.00 C ATOM 429 O SER A 29 -7.144 8.196 -5.179 1.00 0.00 O ATOM 430 CB SER A 29 -8.046 10.847 -3.354 1.00 0.00 C ATOM 431 OG SER A 29 -8.295 11.191 -4.712 1.00 0.00 O ATOM 0 H SER A 29 -7.669 9.750 -1.188 1.00 0.00 H new ATOM 0 HA SER A 29 -8.927 8.882 -3.525 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.836 11.243 -2.716 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.111 11.295 -3.019 1.00 0.00 H new ATOM 0 HG SER A 29 -8.341 12.166 -4.799 1.00 0.00 H new ATOM 437 N GLU A 30 -5.624 8.993 -3.720 1.00 0.00 N ATOM 438 CA GLU A 30 -4.490 8.516 -4.502 1.00 0.00 C ATOM 439 C GLU A 30 -4.475 6.991 -4.550 1.00 0.00 C ATOM 440 O GLU A 30 -4.192 6.394 -5.594 1.00 0.00 O ATOM 441 CB GLU A 30 -3.185 9.027 -3.887 1.00 0.00 C ATOM 442 CG GLU A 30 -3.074 10.536 -4.105 1.00 0.00 C ATOM 443 CD GLU A 30 -1.863 11.085 -3.359 1.00 0.00 C ATOM 444 OE1 GLU A 30 -1.237 10.324 -2.639 1.00 0.00 O ATOM 445 OE2 GLU A 30 -1.582 12.262 -3.507 1.00 0.00 O ATOM 0 H GLU A 30 -5.374 9.478 -2.858 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.585 8.896 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.160 8.800 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.334 8.520 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.984 10.752 -5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.981 11.030 -3.755 1.00 0.00 H new ATOM 452 N LEU A 31 -4.779 6.366 -3.419 1.00 0.00 N ATOM 453 CA LEU A 31 -4.786 4.912 -3.351 1.00 0.00 C ATOM 454 C LEU A 31 -5.838 4.335 -4.297 1.00 0.00 C ATOM 455 O LEU A 31 -5.576 3.394 -5.056 1.00 0.00 O ATOM 456 CB LEU A 31 -5.081 4.466 -1.907 1.00 0.00 C ATOM 457 CG LEU A 31 -4.476 3.078 -1.662 1.00 0.00 C ATOM 458 CD1 LEU A 31 -4.630 2.706 -0.192 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.187 2.036 -2.541 1.00 0.00 C ATOM 0 H LEU A 31 -5.021 6.837 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.807 4.541 -3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.664 5.185 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.157 4.440 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.417 3.097 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.200 1.720 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.113 3.441 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.688 2.691 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.753 1.052 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.248 2.015 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.065 2.301 -3.591 1.00 0.00 H new ATOM 471 N ARG A 32 -7.030 4.916 -4.266 1.00 0.00 N ATOM 472 CA ARG A 32 -8.102 4.457 -5.133 1.00 0.00 C ATOM 473 C ARG A 32 -7.692 4.572 -6.594 1.00 0.00 C ATOM 474 O ARG A 32 -7.897 3.644 -7.373 1.00 0.00 O ATOM 475 CB ARG A 32 -9.363 5.302 -4.892 1.00 0.00 C ATOM 476 CG ARG A 32 -10.423 4.971 -5.948 1.00 0.00 C ATOM 477 CD ARG A 32 -11.694 5.760 -5.667 1.00 0.00 C ATOM 478 NE ARG A 32 -11.386 7.176 -5.499 1.00 0.00 N ATOM 479 CZ ARG A 32 -12.335 8.057 -5.195 1.00 0.00 C ATOM 480 NH1 ARG A 32 -13.570 7.661 -5.049 1.00 0.00 N ATOM 481 NH2 ARG A 32 -12.031 9.317 -5.045 1.00 0.00 N ATOM 0 H ARG A 32 -7.276 5.697 -3.657 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.309 3.412 -4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.757 5.106 -3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.114 6.362 -4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.047 5.212 -6.942 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.638 3.902 -5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.400 5.630 -6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.176 5.377 -4.768 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.425 7.496 -5.617 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.807 6.676 -5.168 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.298 8.336 -4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.066 9.626 -5.161 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.758 9.993 -4.812 1.00 0.00 H new ATOM 495 N HIS A 33 -7.124 5.714 -6.964 1.00 0.00 N ATOM 496 CA HIS A 33 -6.724 5.931 -8.344 1.00 0.00 C ATOM 497 C HIS A 33 -5.783 4.823 -8.801 1.00 0.00 C ATOM 498 O HIS A 33 -5.855 4.363 -9.939 1.00 0.00 O ATOM 499 CB HIS A 33 -6.046 7.316 -8.471 1.00 0.00 C ATOM 500 CG HIS A 33 -4.575 7.159 -8.751 1.00 0.00 C ATOM 501 ND1 HIS A 33 -3.610 7.440 -7.808 1.00 0.00 N ATOM 502 CD2 HIS A 33 -3.904 6.701 -9.856 1.00 0.00 C ATOM 503 CE1 HIS A 33 -2.420 7.153 -8.355 1.00 0.00 C ATOM 504 NE2 HIS A 33 -2.540 6.697 -9.605 1.00 0.00 N ATOM 0 H HIS A 33 -6.933 6.494 -6.335 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.605 5.910 -8.985 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.516 7.885 -9.273 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.189 7.883 -7.551 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.771 7.800 -6.867 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.367 6.391 -10.781 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.476 7.276 -7.845 1.00 0.00 H new ATOM 512 N VAL A 34 -4.872 4.443 -7.918 1.00 0.00 N ATOM 513 CA VAL A 34 -3.905 3.406 -8.246 1.00 0.00 C ATOM 514 C VAL A 34 -4.622 2.089 -8.502 1.00 0.00 C ATOM 515 O VAL A 34 -4.264 1.334 -9.415 1.00 0.00 O ATOM 516 CB VAL A 34 -2.905 3.237 -7.093 1.00 0.00 C ATOM 517 CG1 VAL A 34 -2.082 1.960 -7.304 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.961 4.441 -7.045 1.00 0.00 C ATOM 0 H VAL A 34 -4.782 4.832 -6.979 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.365 3.699 -9.146 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.455 3.167 -6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.374 1.844 -6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.749 1.098 -7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.538 2.029 -8.246 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.254 4.316 -6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.416 4.514 -7.986 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.540 5.351 -6.889 1.00 0.00 H new ATOM 528 N MET A 35 -5.625 1.798 -7.675 1.00 0.00 N ATOM 529 CA MET A 35 -6.362 0.546 -7.811 1.00 0.00 C ATOM 530 C MET A 35 -7.059 0.472 -9.164 1.00 0.00 C ATOM 531 O MET A 35 -7.037 -0.565 -9.827 1.00 0.00 O ATOM 532 CB MET A 35 -7.401 0.440 -6.691 1.00 0.00 C ATOM 533 CG MET A 35 -6.700 0.143 -5.362 1.00 0.00 C ATOM 534 SD MET A 35 -5.951 -1.506 -5.418 1.00 0.00 S ATOM 535 CE MET A 35 -5.209 -1.475 -3.773 1.00 0.00 C ATOM 0 H MET A 35 -5.941 2.402 -6.916 1.00 0.00 H new ATOM 0 HA MET A 35 -5.657 -0.282 -7.740 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.965 1.370 -6.616 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.117 -0.349 -6.920 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.934 0.894 -5.169 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.416 0.200 -4.542 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.034 -2.496 -3.434 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.261 -0.938 -3.811 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.883 -0.973 -3.079 1.00 0.00 H new ATOM 545 N ILE A 36 -7.660 1.579 -9.573 1.00 0.00 N ATOM 546 CA ILE A 36 -8.345 1.635 -10.862 1.00 0.00 C ATOM 547 C ILE A 36 -7.346 1.495 -12.001 1.00 0.00 C ATOM 548 O ILE A 36 -7.608 0.803 -12.987 1.00 0.00 O ATOM 549 CB ILE A 36 -9.113 2.951 -10.997 1.00 0.00 C ATOM 550 CG1 ILE A 36 -10.061 3.112 -9.803 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.925 2.945 -12.290 1.00 0.00 C ATOM 552 CD1 ILE A 36 -10.999 1.900 -9.704 1.00 0.00 C ATOM 0 H ILE A 36 -7.689 2.447 -9.038 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.052 0.807 -10.914 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.405 3.780 -11.019 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.485 3.212 -8.883 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.645 4.025 -9.914 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.470 3.884 -12.382 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.253 2.831 -13.141 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.632 2.116 -12.272 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.667 2.026 -8.852 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.587 1.820 -10.618 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.409 0.993 -9.571 1.00 0.00 H new ATOM 564 N ASN A 37 -6.208 2.159 -11.864 1.00 0.00 N ATOM 565 CA ASN A 37 -5.172 2.105 -12.891 1.00 0.00 C ATOM 566 C ASN A 37 -4.701 0.668 -13.091 1.00 0.00 C ATOM 567 O ASN A 37 -4.282 0.288 -14.182 1.00 0.00 O ATOM 568 CB ASN A 37 -3.985 2.986 -12.484 1.00 0.00 C ATOM 569 CG ASN A 37 -4.293 4.448 -12.789 1.00 0.00 C ATOM 570 OD1 ASN A 37 -3.379 5.269 -12.876 1.00 0.00 O ATOM 571 ND2 ASN A 37 -5.531 4.821 -12.957 1.00 0.00 N ATOM 0 H ASN A 37 -5.977 2.739 -11.058 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.589 2.474 -13.828 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.778 2.863 -11.421 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.089 2.675 -13.021 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.746 5.797 -13.162 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.284 4.137 -12.884 1.00 0.00 H new ATOM 578 N LEU A 38 -4.777 -0.125 -12.026 1.00 0.00 N ATOM 579 CA LEU A 38 -4.364 -1.524 -12.100 1.00 0.00 C ATOM 580 C LEU A 38 -5.463 -2.381 -12.711 1.00 0.00 C ATOM 581 O LEU A 38 -5.315 -3.596 -12.844 1.00 0.00 O ATOM 582 CB LEU A 38 -4.029 -2.043 -10.701 1.00 0.00 C ATOM 583 CG LEU A 38 -2.745 -1.374 -10.198 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.534 -1.721 -8.722 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.540 -1.871 -11.021 1.00 0.00 C ATOM 0 H LEU A 38 -5.117 0.172 -11.111 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.480 -1.586 -12.734 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.852 -1.833 -10.018 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.902 -3.125 -10.724 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.835 -0.293 -10.310 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.621 -1.246 -8.363 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.383 -1.363 -8.139 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.448 -2.802 -8.611 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.630 -1.392 -10.659 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.448 -2.952 -10.915 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.689 -1.621 -12.071 1.00 0.00 H new ATOM 597 N GLY A 39 -6.566 -1.740 -13.085 1.00 0.00 N ATOM 598 CA GLY A 39 -7.686 -2.456 -13.685 1.00 0.00 C ATOM 599 C GLY A 39 -8.502 -3.173 -12.621 1.00 0.00 C ATOM 600 O GLY A 39 -9.209 -4.138 -12.912 1.00 0.00 O ATOM 0 H GLY A 39 -6.708 -0.735 -12.984 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.322 -1.756 -14.227 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.314 -3.178 -14.412 1.00 0.00 H new ATOM 604 N GLU A 40 -8.401 -2.699 -11.380 1.00 0.00 N ATOM 605 CA GLU A 40 -9.135 -3.308 -10.271 1.00 0.00 C ATOM 606 C GLU A 40 -10.305 -2.424 -9.859 1.00 0.00 C ATOM 607 O GLU A 40 -10.131 -1.241 -9.568 1.00 0.00 O ATOM 608 CB GLU A 40 -8.201 -3.511 -9.078 1.00 0.00 C ATOM 609 CG GLU A 40 -7.160 -4.578 -9.421 1.00 0.00 C ATOM 610 CD GLU A 40 -6.168 -4.727 -8.273 1.00 0.00 C ATOM 611 OE1 GLU A 40 -6.335 -4.037 -7.279 1.00 0.00 O ATOM 612 OE2 GLU A 40 -5.257 -5.527 -8.402 1.00 0.00 O ATOM 0 H GLU A 40 -7.822 -1.901 -11.118 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.520 -4.274 -10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.706 -2.573 -8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.774 -3.815 -8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.653 -5.531 -9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.633 -4.303 -10.335 1.00 0.00 H new ATOM 619 N LYS A 41 -11.501 -3.006 -9.840 1.00 0.00 N ATOM 620 CA LYS A 41 -12.698 -2.259 -9.464 1.00 0.00 C ATOM 621 C LYS A 41 -12.953 -2.381 -7.969 1.00 0.00 C ATOM 622 O LYS A 41 -13.698 -3.257 -7.528 1.00 0.00 O ATOM 623 CB LYS A 41 -13.908 -2.793 -10.231 1.00 0.00 C ATOM 624 CG LYS A 41 -15.132 -1.928 -9.919 1.00 0.00 C ATOM 625 CD LYS A 41 -16.329 -2.428 -10.730 1.00 0.00 C ATOM 626 CE LYS A 41 -17.552 -1.560 -10.424 1.00 0.00 C ATOM 627 NZ LYS A 41 -17.298 -0.165 -10.884 1.00 0.00 N ATOM 0 H LYS A 41 -11.667 -3.984 -10.078 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.543 -1.209 -9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.706 -2.784 -11.302 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.101 -3.829 -9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.358 -1.969 -8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.925 -0.885 -10.161 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.101 -2.391 -11.795 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.538 -3.469 -10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.433 -1.964 -10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.760 -1.570 -9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.204 0.334 -10.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.714 0.331 -10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.799 -0.186 -11.796 1.00 0.00 H new ATOM 641 N LEU A 42 -12.333 -1.498 -7.190 1.00 0.00 N ATOM 642 CA LEU A 42 -12.501 -1.512 -5.735 1.00 0.00 C ATOM 643 C LEU A 42 -13.213 -0.249 -5.271 1.00 0.00 C ATOM 644 O LEU A 42 -12.955 0.844 -5.776 1.00 0.00 O ATOM 645 CB LEU A 42 -11.136 -1.605 -5.057 1.00 0.00 C ATOM 646 CG LEU A 42 -10.356 -2.789 -5.637 1.00 0.00 C ATOM 647 CD1 LEU A 42 -8.959 -2.838 -5.012 1.00 0.00 C ATOM 648 CD2 LEU A 42 -11.100 -4.098 -5.333 1.00 0.00 C ATOM 0 H LEU A 42 -11.713 -0.767 -7.537 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.103 -2.379 -5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.579 -0.680 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.260 -1.730 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.267 -2.667 -6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.405 -3.681 -5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.429 -1.912 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.047 -2.957 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.542 -4.938 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.194 -4.221 -4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.093 -4.065 -5.782 1.00 0.00 H new ATOM 660 N THR A 43 -14.114 -0.408 -4.308 1.00 0.00 N ATOM 661 CA THR A 43 -14.864 0.729 -3.784 1.00 0.00 C ATOM 662 C THR A 43 -14.078 1.424 -2.677 1.00 0.00 C ATOM 663 O THR A 43 -13.103 0.881 -2.159 1.00 0.00 O ATOM 664 CB THR A 43 -16.216 0.258 -3.236 1.00 0.00 C ATOM 665 OG1 THR A 43 -16.783 -0.690 -4.130 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.163 1.453 -3.092 1.00 0.00 C ATOM 0 H THR A 43 -14.342 -1.304 -3.877 1.00 0.00 H new ATOM 0 HA THR A 43 -15.029 1.437 -4.597 1.00 0.00 H new ATOM 0 HB THR A 43 -16.068 -0.202 -2.259 1.00 0.00 H new ATOM 0 HG1 THR A 43 -17.647 -0.994 -3.780 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.122 1.112 -2.702 1.00 0.00 H new ATOM 0 HG22 THR A 43 -16.730 2.180 -2.405 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.312 1.919 -4.066 1.00 0.00 H new ATOM 674 N ASP A 44 -14.509 2.626 -2.317 1.00 0.00 N ATOM 675 CA ASP A 44 -13.838 3.390 -1.272 1.00 0.00 C ATOM 676 C ASP A 44 -13.722 2.557 0.000 1.00 0.00 C ATOM 677 O ASP A 44 -12.712 2.616 0.700 1.00 0.00 O ATOM 678 CB ASP A 44 -14.619 4.672 -0.976 1.00 0.00 C ATOM 679 CG ASP A 44 -13.921 5.465 0.124 1.00 0.00 C ATOM 680 OD1 ASP A 44 -12.788 5.137 0.434 1.00 0.00 O ATOM 681 OD2 ASP A 44 -14.529 6.391 0.637 1.00 0.00 O ATOM 0 H ASP A 44 -15.317 3.092 -2.731 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.838 3.650 -1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -14.696 5.277 -1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.636 4.426 -0.669 1.00 0.00 H new ATOM 686 N GLU A 45 -14.760 1.781 0.292 1.00 0.00 N ATOM 687 CA GLU A 45 -14.759 0.940 1.484 1.00 0.00 C ATOM 688 C GLU A 45 -13.450 0.167 1.591 1.00 0.00 C ATOM 689 O GLU A 45 -12.830 0.130 2.650 1.00 0.00 O ATOM 690 CB GLU A 45 -15.930 -0.046 1.424 1.00 0.00 C ATOM 691 CG GLU A 45 -17.249 0.723 1.518 1.00 0.00 C ATOM 692 CD GLU A 45 -17.412 1.311 2.917 1.00 0.00 C ATOM 693 OE1 GLU A 45 -16.615 0.974 3.778 1.00 0.00 O ATOM 694 OE2 GLU A 45 -18.339 2.078 3.109 1.00 0.00 O ATOM 0 H GLU A 45 -15.606 1.716 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.864 1.580 2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.893 -0.614 0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.857 -0.765 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.268 1.520 0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.084 0.059 1.294 1.00 0.00 H new ATOM 701 N GLU A 46 -13.033 -0.445 0.486 1.00 0.00 N ATOM 702 CA GLU A 46 -11.793 -1.210 0.469 1.00 0.00 C ATOM 703 C GLU A 46 -10.609 -0.331 0.879 1.00 0.00 C ATOM 704 O GLU A 46 -9.698 -0.767 1.592 1.00 0.00 O ATOM 705 CB GLU A 46 -11.549 -1.777 -0.932 1.00 0.00 C ATOM 706 CG GLU A 46 -12.514 -2.936 -1.194 1.00 0.00 C ATOM 707 CD GLU A 46 -13.926 -2.404 -1.396 1.00 0.00 C ATOM 708 OE1 GLU A 46 -14.058 -1.225 -1.670 1.00 0.00 O ATOM 709 OE2 GLU A 46 -14.856 -3.182 -1.271 1.00 0.00 O ATOM 0 H GLU A 46 -13.533 -0.426 -0.403 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.885 -2.029 1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.690 -0.997 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.519 -2.121 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.196 -3.492 -2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.495 -3.632 -0.355 1.00 0.00 H new ATOM 716 N VAL A 47 -10.631 0.913 0.433 1.00 0.00 N ATOM 717 CA VAL A 47 -9.564 1.848 0.760 1.00 0.00 C ATOM 718 C VAL A 47 -9.619 2.241 2.231 1.00 0.00 C ATOM 719 O VAL A 47 -8.586 2.423 2.876 1.00 0.00 O ATOM 720 CB VAL A 47 -9.671 3.096 -0.116 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.631 4.128 0.327 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.417 2.716 -1.576 1.00 0.00 C ATOM 0 H VAL A 47 -11.371 1.299 -0.153 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.610 1.357 0.569 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.669 3.522 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.710 5.016 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.809 4.401 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.632 3.703 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.493 3.605 -2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.419 2.289 -1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.158 1.983 -1.895 1.00 0.00 H new ATOM 732 N GLU A 48 -10.829 2.407 2.744 1.00 0.00 N ATOM 733 CA GLU A 48 -11.008 2.811 4.135 1.00 0.00 C ATOM 734 C GLU A 48 -10.510 1.732 5.089 1.00 0.00 C ATOM 735 O GLU A 48 -9.747 2.014 6.013 1.00 0.00 O ATOM 736 CB GLU A 48 -12.489 3.085 4.410 1.00 0.00 C ATOM 737 CG GLU A 48 -12.942 4.313 3.615 1.00 0.00 C ATOM 738 CD GLU A 48 -14.436 4.547 3.818 1.00 0.00 C ATOM 739 OE1 GLU A 48 -15.042 3.780 4.549 1.00 0.00 O ATOM 740 OE2 GLU A 48 -14.953 5.490 3.240 1.00 0.00 O ATOM 0 H GLU A 48 -11.696 2.270 2.225 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.426 3.717 4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.087 2.218 4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.646 3.251 5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.382 5.191 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.729 4.169 2.556 1.00 0.00 H new ATOM 747 N GLN A 49 -10.951 0.501 4.860 1.00 0.00 N ATOM 748 CA GLN A 49 -10.552 -0.612 5.712 1.00 0.00 C ATOM 749 C GLN A 49 -9.048 -0.819 5.652 1.00 0.00 C ATOM 750 O GLN A 49 -8.431 -1.220 6.636 1.00 0.00 O ATOM 751 CB GLN A 49 -11.269 -1.892 5.281 1.00 0.00 C ATOM 752 CG GLN A 49 -10.907 -2.209 3.836 1.00 0.00 C ATOM 753 CD GLN A 49 -11.696 -3.417 3.347 1.00 0.00 C ATOM 754 OE1 GLN A 49 -11.122 -4.479 3.107 1.00 0.00 O ATOM 755 NE2 GLN A 49 -12.987 -3.321 3.185 1.00 0.00 N ATOM 0 H GLN A 49 -11.580 0.249 4.098 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.832 -0.375 6.738 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.982 -2.719 5.930 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.348 -1.769 5.379 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.119 -1.347 3.203 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.838 -2.408 3.757 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.462 -2.441 3.384 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.521 -4.126 2.859 1.00 0.00 H new ATOM 764 N MET A 50 -8.458 -0.543 4.494 1.00 0.00 N ATOM 765 CA MET A 50 -7.014 -0.692 4.341 1.00 0.00 C ATOM 766 C MET A 50 -6.268 0.378 5.132 1.00 0.00 C ATOM 767 O MET A 50 -5.269 0.087 5.792 1.00 0.00 O ATOM 768 CB MET A 50 -6.651 -0.565 2.857 1.00 0.00 C ATOM 769 CG MET A 50 -7.014 -1.855 2.126 1.00 0.00 C ATOM 770 SD MET A 50 -6.862 -1.597 0.338 1.00 0.00 S ATOM 771 CE MET A 50 -5.062 -1.478 0.274 1.00 0.00 C ATOM 0 H MET A 50 -8.947 -0.220 3.659 1.00 0.00 H new ATOM 0 HA MET A 50 -6.723 -1.671 4.722 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.182 0.277 2.414 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.585 -0.362 2.749 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.357 -2.664 2.445 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.032 -2.154 2.376 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.739 -1.404 -0.764 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.736 -0.592 0.819 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.622 -2.366 0.729 1.00 0.00 H new ATOM 781 N ILE A 51 -6.754 1.614 5.060 1.00 0.00 N ATOM 782 CA ILE A 51 -6.114 2.713 5.770 1.00 0.00 C ATOM 783 C ILE A 51 -6.267 2.551 7.278 1.00 0.00 C ATOM 784 O ILE A 51 -5.307 2.695 8.020 1.00 0.00 O ATOM 785 CB ILE A 51 -6.730 4.046 5.337 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.351 4.330 3.880 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.204 5.176 6.226 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.197 5.487 3.349 1.00 0.00 C ATOM 0 H ILE A 51 -7.580 1.876 4.523 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.052 2.702 5.523 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.814 3.988 5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.292 4.578 3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.510 3.440 3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.646 6.122 5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.471 4.977 7.264 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.119 5.235 6.136 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.927 5.689 2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.253 5.221 3.404 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.015 6.377 3.951 1.00 0.00 H new ATOM 800 N LYS A 52 -7.480 2.260 7.721 1.00 0.00 N ATOM 801 CA LYS A 52 -7.736 2.095 9.143 1.00 0.00 C ATOM 802 C LYS A 52 -6.928 0.921 9.694 1.00 0.00 C ATOM 803 O LYS A 52 -6.333 1.012 10.764 1.00 0.00 O ATOM 804 CB LYS A 52 -9.249 1.872 9.376 1.00 0.00 C ATOM 805 CG LYS A 52 -9.578 0.375 9.365 1.00 0.00 C ATOM 806 CD LYS A 52 -11.065 0.166 9.544 1.00 0.00 C ATOM 807 CE LYS A 52 -11.344 -1.332 9.678 1.00 0.00 C ATOM 808 NZ LYS A 52 -10.867 -2.041 8.458 1.00 0.00 N ATOM 0 H LYS A 52 -8.296 2.134 7.122 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.427 2.998 9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.544 2.308 10.330 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.822 2.382 8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.251 -0.070 8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.034 -0.130 10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.416 0.695 10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.608 0.576 8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.842 -1.728 10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.412 -1.502 9.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.658 -3.033 8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.604 -2.006 7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.005 -1.580 8.103 1.00 0.00 H new ATOM 822 N GLU A 53 -6.956 -0.197 8.964 1.00 0.00 N ATOM 823 CA GLU A 53 -6.255 -1.389 9.392 1.00 0.00 C ATOM 824 C GLU A 53 -4.759 -1.117 9.423 1.00 0.00 C ATOM 825 O GLU A 53 -4.075 -1.475 10.379 1.00 0.00 O ATOM 826 CB GLU A 53 -6.562 -2.550 8.437 1.00 0.00 C ATOM 827 CG GLU A 53 -5.548 -3.669 8.645 1.00 0.00 C ATOM 828 CD GLU A 53 -6.060 -4.975 8.058 1.00 0.00 C ATOM 829 OE1 GLU A 53 -7.030 -4.922 7.322 1.00 0.00 O ATOM 830 OE2 GLU A 53 -5.481 -6.006 8.358 1.00 0.00 O ATOM 0 H GLU A 53 -7.456 -0.292 8.080 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.589 -1.663 10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.571 -2.923 8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.528 -2.203 7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.601 -3.400 8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.352 -3.795 9.710 1.00 0.00 H new ATOM 837 N ALA A 54 -4.257 -0.494 8.364 1.00 0.00 N ATOM 838 CA ALA A 54 -2.836 -0.188 8.276 1.00 0.00 C ATOM 839 C ALA A 54 -2.475 0.965 9.205 1.00 0.00 C ATOM 840 O ALA A 54 -1.494 0.900 9.944 1.00 0.00 O ATOM 841 CB ALA A 54 -2.467 0.177 6.837 1.00 0.00 C ATOM 0 H ALA A 54 -4.808 -0.193 7.560 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.276 -1.072 8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.402 0.404 6.781 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.694 -0.662 6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.041 1.049 6.524 1.00 0.00 H new ATOM 847 N ASP A 55 -3.277 2.022 9.160 1.00 0.00 N ATOM 848 CA ASP A 55 -3.036 3.193 9.995 1.00 0.00 C ATOM 849 C ASP A 55 -3.278 2.860 11.459 1.00 0.00 C ATOM 850 O ASP A 55 -4.309 2.288 11.814 1.00 0.00 O ATOM 851 CB ASP A 55 -3.959 4.340 9.576 1.00 0.00 C ATOM 852 CG ASP A 55 -3.557 5.621 10.292 1.00 0.00 C ATOM 853 OD1 ASP A 55 -2.950 5.519 11.342 1.00 0.00 O ATOM 854 OD2 ASP A 55 -3.858 6.685 9.777 1.00 0.00 O ATOM 0 H ASP A 55 -4.097 2.093 8.557 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.998 3.498 9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.906 4.485 8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.993 4.090 9.813 1.00 0.00 H new ATOM 859 N LEU A 56 -2.323 3.222 12.311 1.00 0.00 N ATOM 860 CA LEU A 56 -2.441 2.963 13.747 1.00 0.00 C ATOM 861 C LEU A 56 -2.681 4.254 14.505 1.00 0.00 C ATOM 862 O LEU A 56 -2.956 4.234 15.705 1.00 0.00 O ATOM 863 CB LEU A 56 -1.166 2.298 14.259 1.00 0.00 C ATOM 864 CG LEU A 56 -0.996 0.931 13.583 1.00 0.00 C ATOM 865 CD1 LEU A 56 0.450 0.456 13.744 1.00 0.00 C ATOM 866 CD2 LEU A 56 -1.939 -0.093 14.234 1.00 0.00 C ATOM 0 H LEU A 56 -1.461 3.694 12.036 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.290 2.299 13.910 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.303 2.930 14.048 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.215 2.177 15.341 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.237 1.025 12.524 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.570 -0.515 13.264 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.123 1.176 13.279 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.688 0.368 14.804 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.814 -1.062 13.750 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.702 -0.184 15.294 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.971 0.239 14.120 1.00 0.00 H new ATOM 878 N ASP A 57 -2.574 5.382 13.805 1.00 0.00 N ATOM 879 CA ASP A 57 -2.781 6.691 14.428 1.00 0.00 C ATOM 880 C ASP A 57 -3.988 7.390 13.814 1.00 0.00 C ATOM 881 O ASP A 57 -4.401 8.452 14.278 1.00 0.00 O ATOM 882 CB ASP A 57 -1.534 7.555 14.242 1.00 0.00 C ATOM 883 CG ASP A 57 -1.190 7.666 12.760 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.102 7.627 11.952 1.00 0.00 O ATOM 885 OD2 ASP A 57 -0.016 7.798 12.455 1.00 0.00 O ATOM 0 H ASP A 57 -2.346 5.418 12.811 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.966 6.545 15.492 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.704 8.548 14.659 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.696 7.120 14.786 1.00 0.00 H new ATOM 890 N GLY A 58 -4.549 6.788 12.768 1.00 0.00 N ATOM 891 CA GLY A 58 -5.710 7.365 12.101 1.00 0.00 C ATOM 892 C GLY A 58 -5.525 8.862 11.883 1.00 0.00 C ATOM 893 O GLY A 58 -6.360 9.667 12.298 1.00 0.00 O ATOM 0 H GLY A 58 -4.221 5.909 12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.866 6.871 11.142 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.603 7.189 12.700 1.00 0.00 H new ATOM 897 N ASP A 59 -4.423 9.230 11.235 1.00 0.00 N ATOM 898 CA ASP A 59 -4.140 10.639 10.975 1.00 0.00 C ATOM 899 C ASP A 59 -4.881 11.110 9.732 1.00 0.00 C ATOM 900 O ASP A 59 -4.930 12.306 9.442 1.00 0.00 O ATOM 901 CB ASP A 59 -2.638 10.841 10.774 1.00 0.00 C ATOM 902 CG ASP A 59 -2.151 10.000 9.600 1.00 0.00 C ATOM 903 OD1 ASP A 59 -2.943 9.233 9.081 1.00 0.00 O ATOM 904 OD2 ASP A 59 -0.993 10.134 9.239 1.00 0.00 O ATOM 0 H ASP A 59 -3.719 8.581 10.884 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.476 11.222 11.833 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.426 11.894 10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.101 10.561 11.680 1.00 0.00 H new ATOM 909 N GLY A 60 -5.470 10.167 9.002 1.00 0.00 N ATOM 910 CA GLY A 60 -6.214 10.498 7.786 1.00 0.00 C ATOM 911 C GLY A 60 -5.413 10.145 6.543 1.00 0.00 C ATOM 912 O GLY A 60 -5.948 10.114 5.435 1.00 0.00 O ATOM 0 H GLY A 60 -5.448 9.173 9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.161 9.959 7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.452 11.562 7.779 1.00 0.00 H new ATOM 916 N GLN A 61 -4.122 9.877 6.727 1.00 0.00 N ATOM 917 CA GLN A 61 -3.251 9.525 5.606 1.00 0.00 C ATOM 918 C GLN A 61 -2.281 8.422 6.008 1.00 0.00 C ATOM 919 O GLN A 61 -1.933 8.282 7.182 1.00 0.00 O ATOM 920 CB GLN A 61 -2.469 10.758 5.149 1.00 0.00 C ATOM 921 CG GLN A 61 -1.714 11.355 6.338 1.00 0.00 C ATOM 922 CD GLN A 61 -1.126 12.708 5.956 1.00 0.00 C ATOM 923 OE1 GLN A 61 -1.423 13.233 4.883 1.00 0.00 O ATOM 924 NE2 GLN A 61 -0.309 13.309 6.775 1.00 0.00 N ATOM 0 H GLN A 61 -3.658 9.896 7.635 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.871 9.164 4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.768 10.485 4.360 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.150 11.498 4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.388 11.469 7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.918 10.679 6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.064 12.872 7.664 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.086 14.216 6.527 1.00 0.00 H new ATOM 933 N VAL A 62 -1.849 7.635 5.028 1.00 0.00 N ATOM 934 CA VAL A 62 -0.921 6.540 5.296 1.00 0.00 C ATOM 935 C VAL A 62 0.517 7.044 5.248 1.00 0.00 C ATOM 936 O VAL A 62 0.943 7.657 4.258 1.00 0.00 O ATOM 937 CB VAL A 62 -1.107 5.433 4.260 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.416 4.159 4.739 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.600 5.165 4.061 1.00 0.00 C ATOM 0 H VAL A 62 -2.123 7.732 4.050 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.128 6.144 6.290 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.666 5.746 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.551 3.371 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.648 4.351 4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.852 3.843 5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.732 4.375 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.043 4.855 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.090 6.074 3.712 1.00 0.00 H new ATOM 949 N ASN A 63 1.262 6.786 6.325 1.00 0.00 N ATOM 950 CA ASN A 63 2.653 7.218 6.406 1.00 0.00 C ATOM 951 C ASN A 63 3.570 6.187 5.762 1.00 0.00 C ATOM 952 O ASN A 63 3.217 5.015 5.643 1.00 0.00 O ATOM 953 CB ASN A 63 3.055 7.421 7.867 1.00 0.00 C ATOM 954 CG ASN A 63 2.108 8.412 8.536 1.00 0.00 C ATOM 955 OD1 ASN A 63 1.911 9.520 8.036 1.00 0.00 O ATOM 956 ND2 ASN A 63 1.504 8.076 9.644 1.00 0.00 N ATOM 0 H ASN A 63 0.926 6.283 7.146 1.00 0.00 H new ATOM 0 HA ASN A 63 2.752 8.162 5.870 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.030 6.468 8.395 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.079 7.790 7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.868 8.732 10.097 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.669 7.158 10.056 1.00 0.00 H new ATOM 963 N TYR A 64 4.749 6.632 5.341 1.00 0.00 N ATOM 964 CA TYR A 64 5.703 5.739 4.699 1.00 0.00 C ATOM 965 C TYR A 64 5.966 4.518 5.576 1.00 0.00 C ATOM 966 O TYR A 64 5.945 3.384 5.099 1.00 0.00 O ATOM 967 CB TYR A 64 7.024 6.477 4.455 1.00 0.00 C ATOM 968 CG TYR A 64 7.992 5.560 3.743 1.00 0.00 C ATOM 969 CD1 TYR A 64 8.804 4.690 4.480 1.00 0.00 C ATOM 970 CD2 TYR A 64 8.077 5.583 2.347 1.00 0.00 C ATOM 971 CE1 TYR A 64 9.699 3.841 3.818 1.00 0.00 C ATOM 972 CE2 TYR A 64 8.973 4.735 1.685 1.00 0.00 C ATOM 973 CZ TYR A 64 9.783 3.864 2.421 1.00 0.00 C ATOM 974 OH TYR A 64 10.666 3.026 1.769 1.00 0.00 O ATOM 0 H TYR A 64 5.064 7.598 5.432 1.00 0.00 H new ATOM 0 HA TYR A 64 5.282 5.412 3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.848 7.371 3.857 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.449 6.806 5.403 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.740 4.674 5.558 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.451 6.255 1.779 1.00 0.00 H new ATOM 0 HE1 TYR A 64 10.325 3.168 4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.039 4.753 0.607 1.00 0.00 H new ATOM 0 HH TYR A 64 10.598 3.168 0.802 1.00 0.00 H new ATOM 984 N GLU A 65 6.207 4.757 6.860 1.00 0.00 N ATOM 985 CA GLU A 65 6.478 3.665 7.792 1.00 0.00 C ATOM 986 C GLU A 65 5.291 2.706 7.861 1.00 0.00 C ATOM 987 O GLU A 65 5.461 1.480 7.852 1.00 0.00 O ATOM 988 CB GLU A 65 6.757 4.230 9.186 1.00 0.00 C ATOM 989 CG GLU A 65 7.945 5.188 9.118 1.00 0.00 C ATOM 990 CD GLU A 65 8.222 5.778 10.498 1.00 0.00 C ATOM 991 OE1 GLU A 65 7.483 5.458 11.415 1.00 0.00 O ATOM 992 OE2 GLU A 65 9.169 6.537 10.619 1.00 0.00 O ATOM 0 H GLU A 65 6.221 5.687 7.278 1.00 0.00 H new ATOM 0 HA GLU A 65 7.351 3.118 7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.877 4.751 9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.969 3.419 9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.827 4.660 8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.737 5.988 8.407 1.00 0.00 H new ATOM 999 N GLU A 66 4.092 3.272 7.923 1.00 0.00 N ATOM 1000 CA GLU A 66 2.879 2.461 7.991 1.00 0.00 C ATOM 1001 C GLU A 66 2.756 1.580 6.752 1.00 0.00 C ATOM 1002 O GLU A 66 2.264 0.461 6.823 1.00 0.00 O ATOM 1003 CB GLU A 66 1.647 3.360 8.107 1.00 0.00 C ATOM 1004 CG GLU A 66 1.629 4.029 9.484 1.00 0.00 C ATOM 1005 CD GLU A 66 0.460 5.002 9.576 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.305 5.067 8.628 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.344 5.664 10.593 1.00 0.00 O ATOM 0 H GLU A 66 3.932 4.279 7.928 1.00 0.00 H new ATOM 0 HA GLU A 66 2.942 1.824 8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.662 4.118 7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.740 2.772 7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.545 3.272 10.264 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.567 4.558 9.653 1.00 0.00 H new ATOM 1014 N PHE A 67 3.201 2.096 5.619 1.00 0.00 N ATOM 1015 CA PHE A 67 3.141 1.342 4.374 1.00 0.00 C ATOM 1016 C PHE A 67 4.107 0.163 4.411 1.00 0.00 C ATOM 1017 O PHE A 67 3.768 -0.950 4.001 1.00 0.00 O ATOM 1018 CB PHE A 67 3.488 2.252 3.195 1.00 0.00 C ATOM 1019 CG PHE A 67 3.460 1.451 1.912 1.00 0.00 C ATOM 1020 CD1 PHE A 67 2.246 0.948 1.427 1.00 0.00 C ATOM 1021 CD2 PHE A 67 4.647 1.212 1.207 1.00 0.00 C ATOM 1022 CE1 PHE A 67 2.220 0.207 0.241 1.00 0.00 C ATOM 1023 CE2 PHE A 67 4.620 0.471 0.020 1.00 0.00 C ATOM 1024 CZ PHE A 67 3.406 -0.031 -0.463 1.00 0.00 C ATOM 0 H PHE A 67 3.606 3.028 5.533 1.00 0.00 H new ATOM 0 HA PHE A 67 2.127 0.960 4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.777 3.076 3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.475 2.692 3.340 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.330 1.132 1.969 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.583 1.600 1.580 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.284 -0.182 -0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.535 0.287 -0.523 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.384 -0.602 -1.379 1.00 0.00 H new ATOM 1034 N VAL A 68 5.323 0.418 4.886 1.00 0.00 N ATOM 1035 CA VAL A 68 6.336 -0.630 4.940 1.00 0.00 C ATOM 1036 C VAL A 68 5.866 -1.803 5.794 1.00 0.00 C ATOM 1037 O VAL A 68 5.843 -2.949 5.334 1.00 0.00 O ATOM 1038 CB VAL A 68 7.631 -0.063 5.541 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.648 -1.192 5.735 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.218 0.996 4.601 1.00 0.00 C ATOM 0 H VAL A 68 5.627 1.327 5.234 1.00 0.00 H new ATOM 0 HA VAL A 68 6.513 -0.984 3.924 1.00 0.00 H new ATOM 0 HB VAL A 68 7.407 0.393 6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.565 -0.786 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.235 -1.942 6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.868 -1.653 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.136 1.395 5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.437 0.543 3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.498 1.804 4.468 1.00 0.00 H new ATOM 1050 N LYS A 69 5.485 -1.513 7.031 1.00 0.00 N ATOM 1051 CA LYS A 69 5.028 -2.561 7.935 1.00 0.00 C ATOM 1052 C LYS A 69 3.845 -3.310 7.338 1.00 0.00 C ATOM 1053 O LYS A 69 3.738 -4.532 7.475 1.00 0.00 O ATOM 1054 CB LYS A 69 4.633 -1.954 9.279 1.00 0.00 C ATOM 1055 CG LYS A 69 3.367 -1.115 9.113 1.00 0.00 C ATOM 1056 CD LYS A 69 3.101 -0.315 10.388 1.00 0.00 C ATOM 1057 CE LYS A 69 3.048 -1.266 11.583 1.00 0.00 C ATOM 1058 NZ LYS A 69 2.322 -2.510 11.195 1.00 0.00 N ATOM 0 H LYS A 69 5.483 -0.573 7.428 1.00 0.00 H new ATOM 0 HA LYS A 69 5.845 -3.267 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.464 -2.744 10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.444 -1.334 9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.477 -0.439 8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.517 -1.762 8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.885 0.427 10.535 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.160 0.228 10.300 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.058 -1.509 11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.545 -0.785 12.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.959 -2.980 12.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.528 -2.268 10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.973 -3.151 10.697 1.00 0.00 H new ATOM 1072 N MET A 70 2.954 -2.573 6.684 1.00 0.00 N ATOM 1073 CA MET A 70 1.781 -3.190 6.081 1.00 0.00 C ATOM 1074 C MET A 70 2.195 -4.213 5.028 1.00 0.00 C ATOM 1075 O MET A 70 1.645 -5.302 4.970 1.00 0.00 O ATOM 1076 CB MET A 70 0.899 -2.108 5.423 1.00 0.00 C ATOM 1077 CG MET A 70 -0.566 -2.364 5.738 1.00 0.00 C ATOM 1078 SD MET A 70 -0.985 -4.059 5.255 1.00 0.00 S ATOM 1079 CE MET A 70 -2.096 -4.417 6.631 1.00 0.00 C ATOM 0 H MET A 70 3.020 -1.563 6.559 1.00 0.00 H new ATOM 0 HA MET A 70 1.217 -3.696 6.864 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.190 -1.122 5.785 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.052 -2.110 4.344 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.753 -2.218 6.802 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.196 -1.653 5.203 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.754 -5.243 6.362 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.511 -4.690 7.509 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.695 -3.534 6.854 1.00 0.00 H new ATOM 1089 N MET A 71 3.162 -3.847 4.199 1.00 0.00 N ATOM 1090 CA MET A 71 3.634 -4.737 3.150 1.00 0.00 C ATOM 1091 C MET A 71 4.319 -5.955 3.749 1.00 0.00 C ATOM 1092 O MET A 71 4.351 -7.026 3.138 1.00 0.00 O ATOM 1093 CB MET A 71 4.609 -3.998 2.233 1.00 0.00 C ATOM 1094 CG MET A 71 5.068 -4.935 1.115 1.00 0.00 C ATOM 1095 SD MET A 71 5.775 -3.966 -0.238 1.00 0.00 S ATOM 1096 CE MET A 71 4.229 -3.666 -1.129 1.00 0.00 C ATOM 0 H MET A 71 3.633 -2.943 4.233 1.00 0.00 H new ATOM 0 HA MET A 71 2.773 -5.069 2.569 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.129 -3.116 1.809 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.469 -3.648 2.805 1.00 0.00 H new ATOM 0 HG2 MET A 71 5.808 -5.638 1.497 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.226 -5.524 0.752 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.191 -4.300 -2.015 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.384 -3.898 -0.480 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.179 -2.619 -1.429 1.00 0.00 H new ATOM 1106 N MET A 72 4.868 -5.788 4.946 1.00 0.00 N ATOM 1107 CA MET A 72 5.551 -6.888 5.620 1.00 0.00 C ATOM 1108 C MET A 72 4.557 -7.764 6.375 1.00 0.00 C ATOM 1109 O MET A 72 4.397 -8.945 6.069 1.00 0.00 O ATOM 1110 CB MET A 72 6.585 -6.331 6.602 1.00 0.00 C ATOM 1111 CG MET A 72 7.657 -5.560 5.829 1.00 0.00 C ATOM 1112 SD MET A 72 8.626 -6.711 4.823 1.00 0.00 S ATOM 1113 CE MET A 72 9.425 -5.474 3.771 1.00 0.00 C ATOM 0 H MET A 72 4.855 -4.911 5.467 1.00 0.00 H new ATOM 0 HA MET A 72 6.049 -7.496 4.864 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.100 -5.675 7.325 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.042 -7.144 7.166 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.191 -4.808 5.192 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.309 -5.030 6.523 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.149 -5.963 3.119 1.00 0.00 H new ATOM 0 HE2 MET A 72 8.672 -4.971 3.164 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.936 -4.741 4.395 1.00 0.00 H new ATOM 1123 N THR A 73 3.895 -7.179 7.370 1.00 0.00 N ATOM 1124 CA THR A 73 2.931 -7.924 8.176 1.00 0.00 C ATOM 1125 C THR A 73 2.041 -8.783 7.286 1.00 0.00 C ATOM 1126 O THR A 73 1.509 -9.804 7.723 1.00 0.00 O ATOM 1127 CB THR A 73 2.063 -6.951 8.976 1.00 0.00 C ATOM 1128 OG1 THR A 73 2.896 -6.033 9.670 1.00 0.00 O ATOM 1129 CG2 THR A 73 1.218 -7.731 9.985 1.00 0.00 C ATOM 0 H THR A 73 4.006 -6.201 7.636 1.00 0.00 H new ATOM 0 HA THR A 73 3.479 -8.573 8.859 1.00 0.00 H new ATOM 0 HB THR A 73 1.408 -6.407 8.295 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.166 -5.313 9.063 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.600 -7.038 10.555 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.578 -8.437 9.455 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.873 -8.275 10.665 1.00 0.00 H new ATOM 1137 N VAL A 74 1.893 -8.372 6.036 1.00 0.00 N ATOM 1138 CA VAL A 74 1.073 -9.118 5.092 1.00 0.00 C ATOM 1139 C VAL A 74 1.622 -10.526 4.900 1.00 0.00 C ATOM 1140 O VAL A 74 0.862 -11.494 4.852 1.00 0.00 O ATOM 1141 CB VAL A 74 1.028 -8.383 3.743 1.00 0.00 C ATOM 1142 CG1 VAL A 74 0.528 -9.340 2.646 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.071 -7.174 3.845 1.00 0.00 C ATOM 0 H VAL A 74 2.326 -7.532 5.653 1.00 0.00 H new ATOM 0 HA VAL A 74 0.062 -9.193 5.494 1.00 0.00 H new ATOM 0 HB VAL A 74 2.030 -8.035 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.498 -8.815 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.204 -10.192 2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.472 -9.692 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.040 -6.653 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.929 -7.522 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.427 -6.492 4.618 1.00 0.00 H new ATOM 1205 N GLY A 80 -4.703 -7.565 5.624 1.00 0.00 N ATOM 1206 CA GLY A 80 -6.158 -7.490 5.539 1.00 0.00 C ATOM 1207 C GLY A 80 -6.652 -8.046 4.209 1.00 0.00 C ATOM 1208 O GLY A 80 -5.948 -8.806 3.542 1.00 0.00 O ATOM 0 HA2 GLY A 80 -6.604 -8.050 6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.480 -6.454 5.647 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.868 -7.669 3.832 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.446 -8.133 2.575 1.00 0.00 C ATOM 1214 C ASN A 81 -7.953 -7.285 1.405 1.00 0.00 C ATOM 1215 O ASN A 81 -7.653 -7.804 0.324 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.974 -8.066 2.650 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.495 -9.104 3.636 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -11.675 -9.090 3.987 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -9.681 -10.007 4.113 1.00 0.00 N ATOM 0 H ASN A 81 -8.470 -7.048 4.373 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.132 -9.164 2.413 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.287 -7.069 2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.403 -8.243 1.663 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.023 -10.702 4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.704 -10.018 3.821 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.864 -5.977 1.625 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.407 -5.071 0.583 1.00 0.00 C ATOM 1228 C GLY A 82 -5.907 -5.219 0.334 1.00 0.00 C ATOM 1229 O GLY A 82 -5.471 -5.422 -0.802 1.00 0.00 O ATOM 0 H GLY A 82 -8.101 -5.526 2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.952 -5.271 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.630 -4.043 0.869 1.00 0.00 H new ATOM 1233 N TRP A 83 -5.126 -5.126 1.404 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.678 -5.257 1.291 1.00 0.00 C ATOM 1235 C TRP A 83 -3.319 -6.601 0.666 1.00 0.00 C ATOM 1236 O TRP A 83 -2.436 -6.684 -0.187 1.00 0.00 O ATOM 1237 CB TRP A 83 -3.034 -5.141 2.673 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.224 -3.756 3.200 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -3.946 -3.436 4.298 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.709 -2.502 2.668 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -3.901 -2.066 4.479 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.153 -1.446 3.498 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.908 -2.181 1.557 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.813 -0.118 3.236 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.564 -0.847 1.291 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -2.016 0.184 2.128 1.00 0.00 C ATOM 0 H TRP A 83 -5.467 -4.962 2.351 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.302 -4.458 0.653 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.480 -5.865 3.355 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.971 -5.375 2.611 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.472 -4.136 4.930 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.364 -1.574 5.243 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.556 -2.966 0.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.163 0.671 3.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.947 -0.612 0.436 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.749 1.209 1.917 1.00 0.00 H new ATOM 1257 N SER A 84 -4.014 -7.651 1.090 1.00 0.00 N ATOM 1258 CA SER A 84 -3.767 -8.988 0.562 1.00 0.00 C ATOM 1259 C SER A 84 -4.045 -9.023 -0.939 1.00 0.00 C ATOM 1260 O SER A 84 -3.314 -9.659 -1.705 1.00 0.00 O ATOM 1261 CB SER A 84 -4.657 -10.007 1.272 1.00 0.00 C ATOM 1262 OG SER A 84 -4.662 -11.220 0.533 1.00 0.00 O ATOM 0 H SER A 84 -4.750 -7.603 1.795 1.00 0.00 H new ATOM 0 HA SER A 84 -2.722 -9.242 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.291 -10.185 2.283 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.672 -9.619 1.364 1.00 0.00 H new ATOM 0 HG SER A 84 -5.231 -11.877 0.986 1.00 0.00 H new ATOM 1268 N ARG A 85 -5.101 -8.327 -1.356 1.00 0.00 N ATOM 1269 CA ARG A 85 -5.455 -8.283 -2.772 1.00 0.00 C ATOM 1270 C ARG A 85 -4.351 -7.623 -3.586 1.00 0.00 C ATOM 1271 O ARG A 85 -4.014 -8.085 -4.678 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.764 -7.510 -2.951 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.940 -8.363 -2.440 1.00 0.00 C ATOM 1274 CD ARG A 85 -8.492 -9.216 -3.584 1.00 0.00 C ATOM 1275 NE ARG A 85 -9.511 -10.127 -3.084 1.00 0.00 N ATOM 1276 CZ ARG A 85 -10.751 -9.710 -2.855 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -11.072 -8.463 -3.073 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -11.647 -10.546 -2.409 1.00 0.00 N ATOM 0 H ARG A 85 -5.718 -7.793 -0.744 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.582 -9.305 -3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.720 -6.568 -2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.911 -7.262 -4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.609 -9.004 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.724 -7.718 -2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.915 -8.573 -4.356 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.684 -9.782 -4.048 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.269 -11.102 -2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.370 -7.809 -3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.024 -8.143 -2.897 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.395 -11.519 -2.236 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.600 -10.227 -2.233 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.800 -6.541 -3.053 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.731 -5.832 -3.741 1.00 0.00 C ATOM 1294 C LEU A 86 -1.447 -6.656 -3.723 1.00 0.00 C ATOM 1295 O LEU A 86 -0.758 -6.775 -4.718 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.480 -4.483 -3.064 1.00 0.00 C ATOM 1297 CG LEU A 86 -1.546 -3.629 -3.935 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -2.305 -3.135 -5.181 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -1.051 -2.429 -3.128 1.00 0.00 C ATOM 0 H LEU A 86 -4.072 -6.139 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.034 -5.670 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.425 -3.962 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.036 -4.636 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.694 -4.232 -4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.639 -2.530 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.654 -3.992 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.160 -2.534 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.388 -1.823 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.903 -1.827 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.508 -2.780 -2.250 1.00 0.00 H new ATOM 1311 N ARG A 87 -1.133 -7.233 -2.578 1.00 0.00 N ATOM 1312 CA ARG A 87 0.071 -8.043 -2.452 1.00 0.00 C ATOM 1313 C ARG A 87 -0.053 -9.342 -3.234 1.00 0.00 C ATOM 1314 O ARG A 87 0.945 -10.028 -3.464 1.00 0.00 O ATOM 1315 CB ARG A 87 0.346 -8.334 -0.954 1.00 0.00 C ATOM 1316 CG ARG A 87 1.571 -7.540 -0.487 1.00 0.00 C ATOM 1317 CD ARG A 87 2.844 -8.204 -1.045 1.00 0.00 C ATOM 1318 NE ARG A 87 3.817 -7.186 -1.413 1.00 0.00 N ATOM 1319 CZ ARG A 87 4.997 -7.520 -1.925 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.297 -8.778 -2.102 1.00 0.00 N ATOM 1321 NH2 ARG A 87 5.852 -6.592 -2.257 1.00 0.00 N ATOM 0 H ARG A 87 -1.688 -7.159 -1.726 1.00 0.00 H new ATOM 0 HA ARG A 87 0.909 -7.486 -2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.524 -8.063 -0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.515 -9.401 -0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.504 -6.508 -0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.608 -7.512 0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.271 -8.874 -0.299 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.595 -8.812 -1.915 1.00 0.00 H new ATOM 0 HE ARG A 87 3.590 -6.201 -1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.626 -9.503 -1.847 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.202 -9.036 -2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.615 -5.609 -2.124 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.757 -6.850 -2.650 1.00 0.00 H new ATOM 1335 N ARG A 88 -1.272 -9.670 -3.625 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.511 -10.888 -4.390 1.00 0.00 C ATOM 1337 C ARG A 88 -1.187 -10.649 -5.860 1.00 0.00 C ATOM 1338 O ARG A 88 -0.555 -11.479 -6.512 1.00 0.00 O ATOM 1339 CB ARG A 88 -2.964 -11.325 -4.239 1.00 0.00 C ATOM 1340 CG ARG A 88 -3.178 -12.646 -4.977 1.00 0.00 C ATOM 1341 CD ARG A 88 -4.597 -13.149 -4.720 1.00 0.00 C ATOM 1342 NE ARG A 88 -4.818 -14.412 -5.415 1.00 0.00 N ATOM 1343 CZ ARG A 88 -5.926 -15.120 -5.218 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -6.838 -14.687 -4.391 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -6.100 -16.248 -5.851 1.00 0.00 N ATOM 0 H ARG A 88 -2.107 -9.118 -3.429 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.865 -11.679 -4.008 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.212 -11.441 -3.184 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.629 -10.560 -4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.018 -12.508 -6.046 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.452 -13.385 -4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.755 -13.282 -3.650 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.320 -12.408 -5.059 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.111 -14.758 -6.063 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.701 -13.806 -3.896 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.688 -15.230 -4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.386 -16.586 -6.496 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.950 -16.792 -5.700 1.00 0.00 H new