USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 146:sc= -0.355 (180deg=-1.76!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 23 ASN : amide:sc= -5.49! C(o=-5.5!,f=-15!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -7.04! C(o=-7!,f=-6.8!) USER MOD Single : A 35 MET CE :methyl 165:sc= -0.105 (180deg=-0.141) USER MOD Single : A 37 ASN : amide:sc= -1.94! C(o=-1.9!,f=-3.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -150:sc= -1.29 USER MOD Single : A 49 GLN : amide:sc= -2.69! K(o=-2.7!,f=-0.3) USER MOD Single : A 50 MET CE :methyl 153:sc= -0.239 (180deg=-1.65) USER MOD Single : A 52 LYS NZ :NH3+ 148:sc= -0.263 (180deg=-1.22!) USER MOD Single : A 61 GLN : amide:sc= -0.616 K(o=-0.62,f=-1.6!) USER MOD Single : A 63 ASN : amide:sc= -1.04 K(o=-1,f=-12!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 159:sc= -2.39 (180deg=-4.45!) USER MOD Single : A 70 MET CE :methyl -144:sc= -0.279 (180deg=-1.58!) USER MOD Single : A 71 MET CE :methyl -149:sc= -2.66 (180deg=-3.38) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 85:sc= 1.15 USER MOD Single : A 81 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.2!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 14.204 -0.963 -2.407 1.00 0.00 N ATOM 108 CA GLU A 9 13.863 -0.273 -3.647 1.00 0.00 C ATOM 109 C GLU A 9 12.372 -0.418 -3.942 1.00 0.00 C ATOM 110 O GLU A 9 11.720 0.534 -4.361 1.00 0.00 O ATOM 111 CB GLU A 9 14.674 -0.858 -4.807 1.00 0.00 C ATOM 112 CG GLU A 9 16.165 -0.631 -4.552 1.00 0.00 C ATOM 113 CD GLU A 9 16.482 0.859 -4.599 1.00 0.00 C ATOM 114 OE1 GLU A 9 15.688 1.597 -5.159 1.00 0.00 O ATOM 115 OE2 GLU A 9 17.515 1.241 -4.076 1.00 0.00 O ATOM 0 HA GLU A 9 14.101 0.785 -3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.469 -1.924 -4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.379 -0.388 -5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.442 -1.039 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.755 -1.160 -5.300 1.00 0.00 H new ATOM 122 N GLU A 10 11.839 -1.615 -3.717 1.00 0.00 N ATOM 123 CA GLU A 10 10.425 -1.863 -3.961 1.00 0.00 C ATOM 124 C GLU A 10 9.566 -0.915 -3.132 1.00 0.00 C ATOM 125 O GLU A 10 8.691 -0.230 -3.662 1.00 0.00 O ATOM 126 CB GLU A 10 10.083 -3.312 -3.600 1.00 0.00 C ATOM 127 CG GLU A 10 8.607 -3.583 -3.910 1.00 0.00 C ATOM 128 CD GLU A 10 8.270 -5.040 -3.604 1.00 0.00 C ATOM 129 OE1 GLU A 10 9.193 -5.830 -3.503 1.00 0.00 O ATOM 130 OE2 GLU A 10 7.093 -5.344 -3.483 1.00 0.00 O ATOM 0 H GLU A 10 12.360 -2.420 -3.370 1.00 0.00 H new ATOM 0 HA GLU A 10 10.219 -1.692 -5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.716 -3.997 -4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.282 -3.491 -2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.975 -2.922 -3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.401 -3.365 -4.958 1.00 0.00 H new ATOM 137 N LEU A 11 9.815 -0.883 -1.830 1.00 0.00 N ATOM 138 CA LEU A 11 9.042 -0.022 -0.941 1.00 0.00 C ATOM 139 C LEU A 11 9.115 1.424 -1.405 1.00 0.00 C ATOM 140 O LEU A 11 8.094 2.108 -1.494 1.00 0.00 O ATOM 141 CB LEU A 11 9.614 -0.115 0.479 1.00 0.00 C ATOM 142 CG LEU A 11 9.412 -1.534 1.024 1.00 0.00 C ATOM 143 CD1 LEU A 11 10.322 -1.755 2.234 1.00 0.00 C ATOM 144 CD2 LEU A 11 7.948 -1.727 1.445 1.00 0.00 C ATOM 0 H LEU A 11 10.537 -1.436 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 11 8.003 -0.350 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.675 0.135 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.121 0.608 1.128 1.00 0.00 H new ATOM 0 HG LEU A 11 9.661 -2.254 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.176 -2.764 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.362 -1.627 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.076 -1.031 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.811 -2.737 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.694 -1.004 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.299 -1.577 0.583 1.00 0.00 H new ATOM 156 N LYS A 12 10.327 1.887 -1.713 1.00 0.00 N ATOM 157 CA LYS A 12 10.506 3.260 -2.175 1.00 0.00 C ATOM 158 C LYS A 12 9.840 3.472 -3.531 1.00 0.00 C ATOM 159 O LYS A 12 9.027 4.383 -3.699 1.00 0.00 O ATOM 160 CB LYS A 12 11.995 3.583 -2.283 1.00 0.00 C ATOM 161 CG LYS A 12 12.591 3.725 -0.879 1.00 0.00 C ATOM 162 CD LYS A 12 14.051 4.168 -0.988 1.00 0.00 C ATOM 163 CE LYS A 12 14.608 4.430 0.413 1.00 0.00 C ATOM 164 NZ LYS A 12 16.011 4.928 0.304 1.00 0.00 N ATOM 0 H LYS A 12 11.186 1.340 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 12 10.037 3.925 -1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.510 2.794 -2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.138 4.506 -2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.021 4.453 -0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.526 2.776 -0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.640 3.399 -1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.125 5.070 -1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.990 5.163 0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.580 3.515 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.391 5.107 1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.597 4.214 -0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.024 5.811 -0.245 1.00 0.00 H new ATOM 178 N GLU A 13 10.181 2.623 -4.491 1.00 0.00 N ATOM 179 CA GLU A 13 9.606 2.727 -5.828 1.00 0.00 C ATOM 180 C GLU A 13 8.082 2.748 -5.754 1.00 0.00 C ATOM 181 O GLU A 13 7.440 3.716 -6.177 1.00 0.00 O ATOM 182 CB GLU A 13 10.063 1.541 -6.684 1.00 0.00 C ATOM 183 CG GLU A 13 11.529 1.730 -7.082 1.00 0.00 C ATOM 184 CD GLU A 13 12.039 0.482 -7.795 1.00 0.00 C ATOM 185 OE1 GLU A 13 11.268 -0.451 -7.939 1.00 0.00 O ATOM 186 OE2 GLU A 13 13.196 0.479 -8.185 1.00 0.00 O ATOM 0 H GLU A 13 10.847 1.860 -4.372 1.00 0.00 H new ATOM 0 HA GLU A 13 9.949 3.657 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.944 0.611 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.441 1.462 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.629 2.598 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.133 1.926 -6.196 1.00 0.00 H new ATOM 193 N ALA A 14 7.508 1.680 -5.210 1.00 0.00 N ATOM 194 CA ALA A 14 6.058 1.589 -5.083 1.00 0.00 C ATOM 195 C ALA A 14 5.513 2.816 -4.361 1.00 0.00 C ATOM 196 O ALA A 14 4.535 3.424 -4.797 1.00 0.00 O ATOM 197 CB ALA A 14 5.681 0.325 -4.308 1.00 0.00 C ATOM 0 H ALA A 14 8.019 0.872 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 14 5.622 1.543 -6.081 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.597 0.264 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.051 -0.552 -4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.127 0.361 -3.314 1.00 0.00 H new ATOM 203 N PHE A 15 6.153 3.179 -3.255 1.00 0.00 N ATOM 204 CA PHE A 15 5.716 4.336 -2.480 1.00 0.00 C ATOM 205 C PHE A 15 5.607 5.565 -3.376 1.00 0.00 C ATOM 206 O PHE A 15 4.620 6.296 -3.324 1.00 0.00 O ATOM 207 CB PHE A 15 6.716 4.612 -1.351 1.00 0.00 C ATOM 208 CG PHE A 15 6.365 5.917 -0.670 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.239 5.994 0.157 1.00 0.00 C ATOM 210 CD2 PHE A 15 7.165 7.049 -0.871 1.00 0.00 C ATOM 211 CE1 PHE A 15 4.912 7.201 0.783 1.00 0.00 C ATOM 212 CE2 PHE A 15 6.838 8.257 -0.246 1.00 0.00 C ATOM 213 CZ PHE A 15 5.711 8.332 0.580 1.00 0.00 C ATOM 0 H PHE A 15 6.968 2.695 -2.877 1.00 0.00 H new ATOM 0 HA PHE A 15 4.736 4.121 -2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.698 3.796 -0.628 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.728 4.660 -1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.622 5.121 0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.035 6.989 -1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.044 7.260 1.422 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.454 9.130 -0.401 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.457 9.265 1.062 1.00 0.00 H new ATOM 223 N LYS A 16 6.628 5.787 -4.193 1.00 0.00 N ATOM 224 CA LYS A 16 6.632 6.934 -5.091 1.00 0.00 C ATOM 225 C LYS A 16 5.453 6.861 -6.059 1.00 0.00 C ATOM 226 O LYS A 16 4.856 7.882 -6.400 1.00 0.00 O ATOM 227 CB LYS A 16 7.937 6.963 -5.887 1.00 0.00 C ATOM 228 CG LYS A 16 8.013 8.260 -6.703 1.00 0.00 C ATOM 229 CD LYS A 16 9.103 8.130 -7.778 1.00 0.00 C ATOM 230 CE LYS A 16 8.515 7.473 -9.030 1.00 0.00 C ATOM 231 NZ LYS A 16 9.541 7.446 -10.104 1.00 0.00 N ATOM 0 H LYS A 16 7.456 5.195 -4.253 1.00 0.00 H new ATOM 0 HA LYS A 16 6.544 7.841 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.789 6.897 -5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.989 6.100 -6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.050 8.464 -7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.234 9.102 -6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.503 9.113 -8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.933 7.534 -7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.186 6.459 -8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.637 8.025 -9.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.142 7.000 -10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.834 8.418 -10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.366 6.901 -9.782 1.00 0.00 H new ATOM 245 N VAL A 17 5.129 5.651 -6.497 1.00 0.00 N ATOM 246 CA VAL A 17 4.019 5.457 -7.426 1.00 0.00 C ATOM 247 C VAL A 17 2.693 5.813 -6.759 1.00 0.00 C ATOM 248 O VAL A 17 1.792 6.352 -7.397 1.00 0.00 O ATOM 249 CB VAL A 17 3.986 4.009 -7.908 1.00 0.00 C ATOM 250 CG1 VAL A 17 2.795 3.810 -8.847 1.00 0.00 C ATOM 251 CG2 VAL A 17 5.286 3.695 -8.656 1.00 0.00 C ATOM 0 H VAL A 17 5.613 4.795 -6.228 1.00 0.00 H new ATOM 0 HA VAL A 17 4.166 6.115 -8.282 1.00 0.00 H new ATOM 0 HB VAL A 17 3.887 3.341 -7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.772 2.776 -9.191 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.871 4.036 -8.315 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.893 4.476 -9.705 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.266 2.662 -9.002 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.383 4.362 -9.512 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.134 3.837 -7.987 1.00 0.00 H new ATOM 261 N PHE A 18 2.579 5.493 -5.477 1.00 0.00 N ATOM 262 CA PHE A 18 1.359 5.785 -4.733 1.00 0.00 C ATOM 263 C PHE A 18 1.333 7.240 -4.285 1.00 0.00 C ATOM 264 O PHE A 18 0.294 7.900 -4.343 1.00 0.00 O ATOM 265 CB PHE A 18 1.264 4.871 -3.505 1.00 0.00 C ATOM 266 CG PHE A 18 0.797 3.499 -3.930 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.535 3.308 -4.323 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.687 2.421 -3.931 1.00 0.00 C ATOM 269 CE1 PHE A 18 -0.972 2.042 -4.719 1.00 0.00 C ATOM 270 CE2 PHE A 18 1.250 1.153 -4.326 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.079 0.964 -4.720 1.00 0.00 C ATOM 0 H PHE A 18 3.310 5.035 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 18 0.508 5.606 -5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.235 4.800 -3.016 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.571 5.293 -2.778 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.223 4.140 -4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.713 2.568 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.998 1.895 -5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.938 0.320 -4.327 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.417 -0.015 -5.025 1.00 0.00 H new ATOM 281 N ASP A 19 2.481 7.737 -3.834 1.00 0.00 N ATOM 282 CA ASP A 19 2.574 9.115 -3.369 1.00 0.00 C ATOM 283 C ASP A 19 2.890 10.058 -4.526 1.00 0.00 C ATOM 284 O ASP A 19 3.887 10.780 -4.495 1.00 0.00 O ATOM 285 CB ASP A 19 3.664 9.233 -2.300 1.00 0.00 C ATOM 286 CG ASP A 19 3.514 10.548 -1.540 1.00 0.00 C ATOM 287 OD1 ASP A 19 2.398 11.021 -1.431 1.00 0.00 O ATOM 288 OD2 ASP A 19 4.517 11.055 -1.069 1.00 0.00 O ATOM 0 H ASP A 19 3.353 7.210 -3.781 1.00 0.00 H new ATOM 0 HA ASP A 19 1.612 9.397 -2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.597 8.394 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.648 9.184 -2.766 1.00 0.00 H new ATOM 293 N LYS A 20 2.033 10.050 -5.539 1.00 0.00 N ATOM 294 CA LYS A 20 2.231 10.910 -6.698 1.00 0.00 C ATOM 295 C LYS A 20 2.290 12.369 -6.270 1.00 0.00 C ATOM 296 O LYS A 20 3.094 13.144 -6.787 1.00 0.00 O ATOM 297 CB LYS A 20 1.092 10.710 -7.699 1.00 0.00 C ATOM 298 CG LYS A 20 1.330 9.431 -8.505 1.00 0.00 C ATOM 299 CD LYS A 20 0.150 9.194 -9.457 1.00 0.00 C ATOM 300 CE LYS A 20 0.329 10.041 -10.721 1.00 0.00 C ATOM 301 NZ LYS A 20 1.644 9.720 -11.348 1.00 0.00 N ATOM 0 H LYS A 20 1.200 9.462 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 20 3.176 10.643 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.140 10.647 -7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.030 11.567 -8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.257 9.514 -9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.444 8.581 -7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.089 8.138 -9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.786 9.454 -8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.480 9.842 -11.424 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.281 11.101 -10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.561 9.789 -12.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.362 10.393 -11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.927 8.754 -11.087 1.00 0.00 H new ATOM 315 N ASP A 21 1.434 12.739 -5.325 1.00 0.00 N ATOM 316 CA ASP A 21 1.401 14.111 -4.834 1.00 0.00 C ATOM 317 C ASP A 21 2.685 14.435 -4.079 1.00 0.00 C ATOM 318 O ASP A 21 2.992 15.599 -3.826 1.00 0.00 O ATOM 319 CB ASP A 21 0.197 14.310 -3.912 1.00 0.00 C ATOM 320 CG ASP A 21 0.402 13.541 -2.612 1.00 0.00 C ATOM 321 OD1 ASP A 21 1.371 12.811 -2.527 1.00 0.00 O ATOM 322 OD2 ASP A 21 -0.414 13.695 -1.720 1.00 0.00 O ATOM 0 H ASP A 21 0.758 12.114 -4.886 1.00 0.00 H new ATOM 0 HA ASP A 21 1.314 14.783 -5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.063 15.371 -3.699 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.711 13.967 -4.407 1.00 0.00 H new ATOM 327 N GLN A 22 3.431 13.394 -3.721 1.00 0.00 N ATOM 328 CA GLN A 22 4.686 13.578 -2.998 1.00 0.00 C ATOM 329 C GLN A 22 4.460 14.360 -1.708 1.00 0.00 C ATOM 330 O GLN A 22 5.354 15.067 -1.238 1.00 0.00 O ATOM 331 CB GLN A 22 5.691 14.321 -3.882 1.00 0.00 C ATOM 332 CG GLN A 22 6.063 13.445 -5.080 1.00 0.00 C ATOM 333 CD GLN A 22 7.106 14.151 -5.939 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.637 15.191 -5.544 1.00 0.00 O ATOM 335 NE2 GLN A 22 7.429 13.653 -7.101 1.00 0.00 N ATOM 0 H GLN A 22 3.192 12.422 -3.917 1.00 0.00 H new ATOM 0 HA GLN A 22 5.082 12.595 -2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.263 15.263 -4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.584 14.568 -3.307 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.453 12.488 -4.734 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.175 13.231 -5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.989 12.792 -7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.121 14.124 -7.683 1.00 0.00 H new ATOM 344 N ASN A 23 3.268 14.225 -1.141 1.00 0.00 N ATOM 345 CA ASN A 23 2.938 14.920 0.098 1.00 0.00 C ATOM 346 C ASN A 23 3.621 14.248 1.281 1.00 0.00 C ATOM 347 O ASN A 23 3.718 14.823 2.366 1.00 0.00 O ATOM 348 CB ASN A 23 1.425 14.922 0.312 1.00 0.00 C ATOM 349 CG ASN A 23 0.932 13.501 0.563 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.620 12.536 0.229 1.00 0.00 O ATOM 351 ND2 ASN A 23 -0.222 13.315 1.141 1.00 0.00 N ATOM 0 H ASN A 23 2.518 13.645 -1.516 1.00 0.00 H new ATOM 0 HA ASN A 23 3.292 15.948 0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.170 15.559 1.159 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.926 15.340 -0.563 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.557 12.368 1.318 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.789 14.117 1.416 1.00 0.00 H new ATOM 358 N GLY A 24 4.101 13.025 1.066 1.00 0.00 N ATOM 359 CA GLY A 24 4.787 12.280 2.121 1.00 0.00 C ATOM 360 C GLY A 24 3.910 11.166 2.662 1.00 0.00 C ATOM 361 O GLY A 24 4.413 10.122 3.079 1.00 0.00 O ATOM 0 H GLY A 24 4.029 12.531 0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.714 11.860 1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.060 12.957 2.930 1.00 0.00 H new ATOM 365 N TYR A 25 2.596 11.381 2.644 1.00 0.00 N ATOM 366 CA TYR A 25 1.653 10.375 3.139 1.00 0.00 C ATOM 367 C TYR A 25 0.649 10.008 2.056 1.00 0.00 C ATOM 368 O TYR A 25 0.076 10.878 1.414 1.00 0.00 O ATOM 369 CB TYR A 25 0.913 10.927 4.362 1.00 0.00 C ATOM 370 CG TYR A 25 1.856 11.773 5.189 1.00 0.00 C ATOM 371 CD1 TYR A 25 3.127 11.289 5.520 1.00 0.00 C ATOM 372 CD2 TYR A 25 1.458 13.042 5.627 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.998 12.069 6.284 1.00 0.00 C ATOM 374 CE2 TYR A 25 2.330 13.825 6.390 1.00 0.00 C ATOM 375 CZ TYR A 25 3.601 13.339 6.719 1.00 0.00 C ATOM 376 OH TYR A 25 4.462 14.112 7.471 1.00 0.00 O ATOM 0 H TYR A 25 2.161 12.235 2.295 1.00 0.00 H new ATOM 0 HA TYR A 25 2.208 9.479 3.419 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.058 11.524 4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.522 10.106 4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.435 10.310 5.184 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.477 13.416 5.375 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.978 11.692 6.539 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.023 14.805 6.725 1.00 0.00 H new ATOM 0 HH TYR A 25 4.031 14.965 7.689 1.00 0.00 H new ATOM 386 N ILE A 26 0.436 8.711 1.874 1.00 0.00 N ATOM 387 CA ILE A 26 -0.506 8.232 0.872 1.00 0.00 C ATOM 388 C ILE A 26 -1.937 8.443 1.340 1.00 0.00 C ATOM 389 O ILE A 26 -2.264 8.198 2.503 1.00 0.00 O ATOM 390 CB ILE A 26 -0.272 6.748 0.596 1.00 0.00 C ATOM 391 CG1 ILE A 26 1.122 6.554 -0.006 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.329 6.236 -0.385 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.468 5.064 -0.021 1.00 0.00 C ATOM 0 H ILE A 26 0.901 7.975 2.405 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.347 8.799 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.345 6.190 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.151 6.955 -1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.861 7.104 0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.161 5.177 -0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.321 6.372 0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.259 6.793 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.461 4.925 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.455 4.677 0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.735 4.526 -0.622 1.00 0.00 H new ATOM 405 N SER A 27 -2.792 8.908 0.428 1.00 0.00 N ATOM 406 CA SER A 27 -4.196 9.152 0.757 1.00 0.00 C ATOM 407 C SER A 27 -5.084 8.073 0.148 1.00 0.00 C ATOM 408 O SER A 27 -4.594 7.112 -0.445 1.00 0.00 O ATOM 409 CB SER A 27 -4.622 10.524 0.234 1.00 0.00 C ATOM 410 OG SER A 27 -5.083 10.393 -1.104 1.00 0.00 O ATOM 0 H SER A 27 -2.539 9.122 -0.537 1.00 0.00 H new ATOM 0 HA SER A 27 -4.307 9.127 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.410 10.938 0.864 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.783 11.219 0.276 1.00 0.00 H new ATOM 0 HG SER A 27 -5.359 11.270 -1.442 1.00 0.00 H new ATOM 416 N ALA A 28 -6.393 8.236 0.299 1.00 0.00 N ATOM 417 CA ALA A 28 -7.345 7.271 -0.241 1.00 0.00 C ATOM 418 C ALA A 28 -7.571 7.517 -1.729 1.00 0.00 C ATOM 419 O ALA A 28 -7.699 6.574 -2.511 1.00 0.00 O ATOM 420 CB ALA A 28 -8.677 7.381 0.503 1.00 0.00 C ATOM 0 H ALA A 28 -6.819 9.023 0.788 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.935 6.270 -0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.383 6.658 0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.520 7.177 1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.079 8.387 0.383 1.00 0.00 H new ATOM 426 N SER A 29 -7.625 8.786 -2.113 1.00 0.00 N ATOM 427 CA SER A 29 -7.848 9.143 -3.510 1.00 0.00 C ATOM 428 C SER A 29 -6.741 8.577 -4.393 1.00 0.00 C ATOM 429 O SER A 29 -7.006 8.043 -5.474 1.00 0.00 O ATOM 430 CB SER A 29 -7.893 10.665 -3.660 1.00 0.00 C ATOM 431 OG SER A 29 -8.971 11.180 -2.891 1.00 0.00 O ATOM 0 H SER A 29 -7.518 9.581 -1.483 1.00 0.00 H new ATOM 0 HA SER A 29 -8.801 8.718 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.952 11.103 -3.327 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.017 10.935 -4.709 1.00 0.00 H new ATOM 0 HG SER A 29 -9.002 12.155 -2.983 1.00 0.00 H new ATOM 437 N GLU A 30 -5.504 8.696 -3.929 1.00 0.00 N ATOM 438 CA GLU A 30 -4.366 8.194 -4.688 1.00 0.00 C ATOM 439 C GLU A 30 -4.418 6.675 -4.796 1.00 0.00 C ATOM 440 O GLU A 30 -4.158 6.110 -5.856 1.00 0.00 O ATOM 441 CB GLU A 30 -3.058 8.612 -4.008 1.00 0.00 C ATOM 442 CG GLU A 30 -2.898 10.131 -4.099 1.00 0.00 C ATOM 443 CD GLU A 30 -1.601 10.557 -3.426 1.00 0.00 C ATOM 444 OE1 GLU A 30 -0.842 9.684 -3.039 1.00 0.00 O ATOM 445 OE2 GLU A 30 -1.381 11.752 -3.307 1.00 0.00 O ATOM 0 H GLU A 30 -5.264 9.132 -3.039 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.409 8.620 -5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.062 8.298 -2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.213 8.117 -4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.895 10.443 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.745 10.624 -3.621 1.00 0.00 H new ATOM 452 N LEU A 31 -4.757 6.019 -3.693 1.00 0.00 N ATOM 453 CA LEU A 31 -4.833 4.567 -3.679 1.00 0.00 C ATOM 454 C LEU A 31 -5.894 4.071 -4.655 1.00 0.00 C ATOM 455 O LEU A 31 -5.675 3.110 -5.393 1.00 0.00 O ATOM 456 CB LEU A 31 -5.169 4.079 -2.266 1.00 0.00 C ATOM 457 CG LEU A 31 -4.992 2.552 -2.191 1.00 0.00 C ATOM 458 CD1 LEU A 31 -3.505 2.211 -2.027 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.774 2.006 -0.996 1.00 0.00 C ATOM 0 H LEU A 31 -4.982 6.467 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.865 4.169 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.520 4.567 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.194 4.349 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.367 2.100 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.383 1.129 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.947 2.598 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.127 2.664 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.649 0.925 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.400 2.460 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.831 2.243 -1.114 1.00 0.00 H new ATOM 471 N ARG A 32 -7.044 4.729 -4.653 1.00 0.00 N ATOM 472 CA ARG A 32 -8.130 4.352 -5.543 1.00 0.00 C ATOM 473 C ARG A 32 -7.725 4.558 -7.000 1.00 0.00 C ATOM 474 O ARG A 32 -8.044 3.739 -7.863 1.00 0.00 O ATOM 475 CB ARG A 32 -9.370 5.199 -5.247 1.00 0.00 C ATOM 476 CG ARG A 32 -10.534 4.730 -6.124 1.00 0.00 C ATOM 477 CD ARG A 32 -11.733 5.659 -5.926 1.00 0.00 C ATOM 478 NE ARG A 32 -12.916 5.107 -6.575 1.00 0.00 N ATOM 479 CZ ARG A 32 -14.006 5.846 -6.762 1.00 0.00 C ATOM 480 NH1 ARG A 32 -14.031 7.087 -6.361 1.00 0.00 N ATOM 481 NH2 ARG A 32 -15.054 5.327 -7.343 1.00 0.00 N ATOM 0 H ARG A 32 -7.248 5.524 -4.047 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.355 3.298 -5.377 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.638 5.114 -4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.158 6.251 -5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.234 4.725 -7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.807 3.707 -5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.924 5.795 -4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.510 6.643 -6.338 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.908 4.137 -6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.214 7.492 -5.904 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.867 7.653 -6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.036 4.355 -7.653 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.890 5.893 -7.487 1.00 0.00 H new ATOM 495 N HIS A 33 -7.022 5.655 -7.274 1.00 0.00 N ATOM 496 CA HIS A 33 -6.595 5.951 -8.631 1.00 0.00 C ATOM 497 C HIS A 33 -5.652 4.867 -9.142 1.00 0.00 C ATOM 498 O HIS A 33 -5.693 4.492 -10.315 1.00 0.00 O ATOM 499 CB HIS A 33 -5.915 7.340 -8.666 1.00 0.00 C ATOM 500 CG HIS A 33 -4.454 7.200 -8.998 1.00 0.00 C ATOM 501 ND1 HIS A 33 -3.463 7.422 -8.067 1.00 0.00 N ATOM 502 CD2 HIS A 33 -3.817 6.819 -10.150 1.00 0.00 C ATOM 503 CE1 HIS A 33 -2.291 7.176 -8.666 1.00 0.00 C ATOM 504 NE2 HIS A 33 -2.446 6.804 -9.942 1.00 0.00 N ATOM 0 H HIS A 33 -6.740 6.345 -6.578 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.465 5.970 -9.287 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.404 7.973 -9.407 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.030 7.833 -7.700 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.308 6.568 -11.079 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.333 7.267 -8.177 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.717 6.563 -10.613 1.00 0.00 H new ATOM 512 N VAL A 34 -4.778 4.409 -8.265 1.00 0.00 N ATOM 513 CA VAL A 34 -3.813 3.384 -8.634 1.00 0.00 C ATOM 514 C VAL A 34 -4.525 2.061 -8.871 1.00 0.00 C ATOM 515 O VAL A 34 -4.213 1.327 -9.813 1.00 0.00 O ATOM 516 CB VAL A 34 -2.762 3.217 -7.527 1.00 0.00 C ATOM 517 CG1 VAL A 34 -1.911 1.966 -7.807 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.850 4.445 -7.487 1.00 0.00 C ATOM 0 H VAL A 34 -4.714 4.726 -7.298 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.312 3.692 -9.552 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.270 3.110 -6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.166 1.849 -7.020 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.554 1.086 -7.831 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.409 2.075 -8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.107 4.321 -6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.346 4.556 -8.447 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.446 5.335 -7.285 1.00 0.00 H new ATOM 528 N MET A 35 -5.478 1.747 -7.999 1.00 0.00 N ATOM 529 CA MET A 35 -6.220 0.497 -8.110 1.00 0.00 C ATOM 530 C MET A 35 -7.047 0.470 -9.390 1.00 0.00 C ATOM 531 O MET A 35 -7.136 -0.559 -10.060 1.00 0.00 O ATOM 532 CB MET A 35 -7.138 0.330 -6.898 1.00 0.00 C ATOM 533 CG MET A 35 -6.293 0.066 -5.648 1.00 0.00 C ATOM 534 SD MET A 35 -5.667 -1.636 -5.685 1.00 0.00 S ATOM 535 CE MET A 35 -5.933 -2.019 -3.935 1.00 0.00 C ATOM 0 H MET A 35 -5.753 2.336 -7.213 1.00 0.00 H new ATOM 0 HA MET A 35 -5.506 -0.326 -8.142 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.741 1.227 -6.759 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.829 -0.496 -7.063 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.461 0.769 -5.604 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.892 0.224 -4.751 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.867 -3.096 -3.784 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.172 -1.521 -3.334 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.920 -1.671 -3.632 1.00 0.00 H new ATOM 545 N ILE A 36 -7.649 1.608 -9.724 1.00 0.00 N ATOM 546 CA ILE A 36 -8.457 1.703 -10.930 1.00 0.00 C ATOM 547 C ILE A 36 -7.587 1.548 -12.169 1.00 0.00 C ATOM 548 O ILE A 36 -7.947 0.840 -13.109 1.00 0.00 O ATOM 549 CB ILE A 36 -9.185 3.050 -10.963 1.00 0.00 C ATOM 550 CG1 ILE A 36 -10.200 3.111 -9.807 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.921 3.205 -12.300 1.00 0.00 C ATOM 552 CD1 ILE A 36 -11.503 2.408 -10.215 1.00 0.00 C ATOM 0 H ILE A 36 -7.592 2.469 -9.180 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.193 0.899 -10.922 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.460 3.857 -10.855 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.782 2.635 -8.920 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.404 4.149 -9.545 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.438 4.164 -12.321 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.202 3.162 -13.118 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.646 2.399 -12.412 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.215 2.456 -9.391 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.925 2.903 -11.089 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.294 1.365 -10.454 1.00 0.00 H new ATOM 564 N ASN A 37 -6.444 2.226 -12.165 1.00 0.00 N ATOM 565 CA ASN A 37 -5.523 2.160 -13.296 1.00 0.00 C ATOM 566 C ASN A 37 -4.989 0.740 -13.450 1.00 0.00 C ATOM 567 O ASN A 37 -4.595 0.326 -14.539 1.00 0.00 O ATOM 568 CB ASN A 37 -4.359 3.127 -13.082 1.00 0.00 C ATOM 569 CG ASN A 37 -3.443 3.114 -14.301 1.00 0.00 C ATOM 570 OD1 ASN A 37 -3.701 2.391 -15.265 1.00 0.00 O ATOM 571 ND2 ASN A 37 -2.383 3.873 -14.316 1.00 0.00 N ATOM 0 H ASN A 37 -6.134 2.823 -11.398 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.059 2.442 -14.202 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.738 4.135 -12.912 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.798 2.843 -12.192 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.765 3.869 -15.127 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.172 4.470 -13.517 1.00 0.00 H new ATOM 578 N LEU A 38 -4.981 -0.007 -12.346 1.00 0.00 N ATOM 579 CA LEU A 38 -4.500 -1.384 -12.371 1.00 0.00 C ATOM 580 C LEU A 38 -5.591 -2.327 -12.858 1.00 0.00 C ATOM 581 O LEU A 38 -5.385 -3.540 -12.947 1.00 0.00 O ATOM 582 CB LEU A 38 -4.045 -1.803 -10.970 1.00 0.00 C ATOM 583 CG LEU A 38 -2.694 -1.153 -10.656 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.384 -1.316 -9.166 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.585 -1.826 -11.491 1.00 0.00 C ATOM 0 H LEU A 38 -5.299 0.316 -11.432 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.657 -1.441 -13.059 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.786 -1.502 -10.230 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.961 -2.888 -10.913 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.737 -0.093 -10.905 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.423 -0.854 -8.942 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.165 -0.834 -8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.344 -2.376 -8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.626 -1.360 -11.264 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.540 -2.887 -11.248 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.805 -1.706 -12.552 1.00 0.00 H new ATOM 597 N GLY A 39 -6.753 -1.767 -13.175 1.00 0.00 N ATOM 598 CA GLY A 39 -7.871 -2.569 -13.657 1.00 0.00 C ATOM 599 C GLY A 39 -8.671 -3.143 -12.499 1.00 0.00 C ATOM 600 O GLY A 39 -9.332 -4.173 -12.643 1.00 0.00 O ATOM 0 H GLY A 39 -6.945 -0.767 -13.108 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.520 -1.956 -14.283 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.498 -3.380 -14.283 1.00 0.00 H new ATOM 604 N GLU A 40 -8.612 -2.476 -11.347 1.00 0.00 N ATOM 605 CA GLU A 40 -9.343 -2.931 -10.168 1.00 0.00 C ATOM 606 C GLU A 40 -10.395 -1.904 -9.776 1.00 0.00 C ATOM 607 O GLU A 40 -10.085 -0.736 -9.549 1.00 0.00 O ATOM 608 CB GLU A 40 -8.366 -3.151 -9.003 1.00 0.00 C ATOM 609 CG GLU A 40 -8.826 -4.344 -8.168 1.00 0.00 C ATOM 610 CD GLU A 40 -8.529 -5.641 -8.912 1.00 0.00 C ATOM 611 OE1 GLU A 40 -7.890 -5.571 -9.951 1.00 0.00 O ATOM 612 OE2 GLU A 40 -8.943 -6.684 -8.436 1.00 0.00 O ATOM 0 H GLU A 40 -8.069 -1.624 -11.206 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.840 -3.873 -10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.361 -3.328 -9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.317 -2.257 -8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.317 -4.342 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.894 -4.267 -7.965 1.00 0.00 H new ATOM 619 N LYS A 41 -11.640 -2.348 -9.687 1.00 0.00 N ATOM 620 CA LYS A 41 -12.740 -1.455 -9.321 1.00 0.00 C ATOM 621 C LYS A 41 -13.245 -1.753 -7.918 1.00 0.00 C ATOM 622 O LYS A 41 -13.955 -2.732 -7.696 1.00 0.00 O ATOM 623 CB LYS A 41 -13.891 -1.619 -10.310 1.00 0.00 C ATOM 624 CG LYS A 41 -13.458 -1.108 -11.686 1.00 0.00 C ATOM 625 CD LYS A 41 -14.661 -1.109 -12.636 1.00 0.00 C ATOM 626 CE LYS A 41 -15.091 -2.551 -12.926 1.00 0.00 C ATOM 627 NZ LYS A 41 -15.940 -2.581 -14.145 1.00 0.00 N ATOM 0 H LYS A 41 -11.917 -3.314 -9.861 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.365 -0.432 -9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.182 -2.667 -10.375 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.764 -1.066 -9.963 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.051 -0.101 -11.600 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.665 -1.739 -12.087 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.488 -0.556 -12.191 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.402 -0.603 -13.566 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.213 -3.182 -13.066 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.642 -2.955 -12.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.231 -3.560 -14.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.784 -1.992 -13.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.400 -2.212 -14.953 1.00 0.00 H new ATOM 641 N LEU A 42 -12.869 -0.903 -6.969 1.00 0.00 N ATOM 642 CA LEU A 42 -13.287 -1.076 -5.577 1.00 0.00 C ATOM 643 C LEU A 42 -13.911 0.214 -5.054 1.00 0.00 C ATOM 644 O LEU A 42 -13.635 1.302 -5.558 1.00 0.00 O ATOM 645 CB LEU A 42 -12.083 -1.474 -4.702 1.00 0.00 C ATOM 646 CG LEU A 42 -10.795 -0.930 -5.322 1.00 0.00 C ATOM 647 CD1 LEU A 42 -10.829 0.605 -5.316 1.00 0.00 C ATOM 648 CD2 LEU A 42 -9.602 -1.420 -4.510 1.00 0.00 C ATOM 0 H LEU A 42 -12.277 -0.089 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 42 -14.030 -1.872 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.208 -1.080 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.027 -2.559 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.706 -1.282 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.910 0.991 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.684 0.952 -5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.916 0.963 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.681 -1.035 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.691 -1.066 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.579 -2.510 -4.518 1.00 0.00 H new ATOM 660 N THR A 43 -14.751 0.083 -4.032 1.00 0.00 N ATOM 661 CA THR A 43 -15.409 1.244 -3.447 1.00 0.00 C ATOM 662 C THR A 43 -14.501 1.928 -2.428 1.00 0.00 C ATOM 663 O THR A 43 -13.521 1.350 -1.969 1.00 0.00 O ATOM 664 CB THR A 43 -16.720 0.809 -2.783 1.00 0.00 C ATOM 665 OG1 THR A 43 -16.540 -0.463 -2.178 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.832 0.727 -3.822 1.00 0.00 C ATOM 0 H THR A 43 -14.990 -0.807 -3.596 1.00 0.00 H new ATOM 0 HA THR A 43 -15.625 1.961 -4.239 1.00 0.00 H new ATOM 0 HB THR A 43 -16.998 1.541 -2.025 1.00 0.00 H new ATOM 0 HG1 THR A 43 -17.390 -0.950 -2.182 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.759 0.417 -3.339 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.972 1.705 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.561 0.000 -4.588 1.00 0.00 H new ATOM 674 N ASP A 44 -14.846 3.163 -2.079 1.00 0.00 N ATOM 675 CA ASP A 44 -14.057 3.921 -1.120 1.00 0.00 C ATOM 676 C ASP A 44 -13.936 3.160 0.197 1.00 0.00 C ATOM 677 O ASP A 44 -12.910 3.218 0.868 1.00 0.00 O ATOM 678 CB ASP A 44 -14.712 5.279 -0.860 1.00 0.00 C ATOM 679 CG ASP A 44 -13.717 6.217 -0.182 1.00 0.00 C ATOM 680 OD1 ASP A 44 -13.580 6.131 1.028 1.00 0.00 O ATOM 681 OD2 ASP A 44 -13.108 7.009 -0.882 1.00 0.00 O ATOM 0 H ASP A 44 -15.661 3.656 -2.444 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.061 4.069 -1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.052 5.714 -1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.593 5.153 -0.230 1.00 0.00 H new ATOM 686 N GLU A 45 -14.991 2.445 0.556 1.00 0.00 N ATOM 687 CA GLU A 45 -14.985 1.677 1.801 1.00 0.00 C ATOM 688 C GLU A 45 -13.760 0.767 1.861 1.00 0.00 C ATOM 689 O GLU A 45 -13.063 0.721 2.870 1.00 0.00 O ATOM 690 CB GLU A 45 -16.270 0.828 1.899 1.00 0.00 C ATOM 691 CG GLU A 45 -16.851 0.623 0.501 1.00 0.00 C ATOM 692 CD GLU A 45 -17.823 -0.549 0.501 1.00 0.00 C ATOM 693 OE1 GLU A 45 -17.563 -1.503 1.214 1.00 0.00 O ATOM 694 OE2 GLU A 45 -18.808 -0.478 -0.212 1.00 0.00 O ATOM 0 H GLU A 45 -15.853 2.377 0.015 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.946 2.373 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.048 -0.136 2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.999 1.325 2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.363 1.529 0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.047 0.438 -0.211 1.00 0.00 H new ATOM 701 N GLU A 46 -13.515 0.040 0.778 1.00 0.00 N ATOM 702 CA GLU A 46 -12.378 -0.867 0.723 1.00 0.00 C ATOM 703 C GLU A 46 -11.078 -0.094 0.951 1.00 0.00 C ATOM 704 O GLU A 46 -10.144 -0.587 1.594 1.00 0.00 O ATOM 705 CB GLU A 46 -12.329 -1.560 -0.640 1.00 0.00 C ATOM 706 CG GLU A 46 -13.575 -2.430 -0.816 1.00 0.00 C ATOM 707 CD GLU A 46 -13.550 -3.584 0.182 1.00 0.00 C ATOM 708 OE1 GLU A 46 -12.539 -4.261 0.249 1.00 0.00 O ATOM 709 OE2 GLU A 46 -14.545 -3.772 0.863 1.00 0.00 O ATOM 0 H GLU A 46 -14.084 0.061 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.490 -1.618 1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.276 -0.817 -1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.431 -2.173 -0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.472 -1.829 -0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.617 -2.819 -1.833 1.00 0.00 H new ATOM 716 N VAL A 47 -11.028 1.130 0.423 1.00 0.00 N ATOM 717 CA VAL A 47 -9.840 1.963 0.579 1.00 0.00 C ATOM 718 C VAL A 47 -9.667 2.392 2.035 1.00 0.00 C ATOM 719 O VAL A 47 -8.570 2.299 2.597 1.00 0.00 O ATOM 720 CB VAL A 47 -9.949 3.198 -0.319 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.792 4.157 -0.019 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.888 2.768 -1.785 1.00 0.00 C ATOM 0 H VAL A 47 -11.785 1.560 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.968 1.379 0.286 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.895 3.703 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.872 5.035 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.836 4.465 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.844 3.654 -0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.966 3.647 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.942 2.262 -1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.713 2.089 -2.000 1.00 0.00 H new ATOM 732 N GLU A 48 -10.754 2.859 2.639 1.00 0.00 N ATOM 733 CA GLU A 48 -10.711 3.297 4.027 1.00 0.00 C ATOM 734 C GLU A 48 -10.306 2.139 4.930 1.00 0.00 C ATOM 735 O GLU A 48 -9.430 2.277 5.774 1.00 0.00 O ATOM 736 CB GLU A 48 -12.083 3.824 4.452 1.00 0.00 C ATOM 737 CG GLU A 48 -12.377 5.135 3.720 1.00 0.00 C ATOM 738 CD GLU A 48 -13.781 5.620 4.063 1.00 0.00 C ATOM 739 OE1 GLU A 48 -14.414 4.999 4.902 1.00 0.00 O ATOM 740 OE2 GLU A 48 -14.206 6.604 3.478 1.00 0.00 O ATOM 0 H GLU A 48 -11.668 2.943 2.193 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.975 4.096 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.854 3.087 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.104 3.985 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.643 5.891 4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.287 4.988 2.644 1.00 0.00 H new ATOM 747 N GLN A 49 -10.943 0.988 4.735 1.00 0.00 N ATOM 748 CA GLN A 49 -10.638 -0.188 5.544 1.00 0.00 C ATOM 749 C GLN A 49 -9.143 -0.470 5.525 1.00 0.00 C ATOM 750 O GLN A 49 -8.544 -0.699 6.569 1.00 0.00 O ATOM 751 CB GLN A 49 -11.398 -1.403 5.004 1.00 0.00 C ATOM 752 CG GLN A 49 -12.896 -1.227 5.265 1.00 0.00 C ATOM 753 CD GLN A 49 -13.204 -1.504 6.730 1.00 0.00 C ATOM 754 OE1 GLN A 49 -14.364 -1.453 7.142 1.00 0.00 O ATOM 755 NE2 GLN A 49 -12.231 -1.797 7.549 1.00 0.00 N ATOM 0 H GLN A 49 -11.667 0.845 4.031 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.948 0.005 6.571 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.215 -1.514 3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.039 -2.313 5.485 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.202 -0.214 5.006 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.467 -1.905 4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.271 -1.839 7.206 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.430 -1.984 8.532 1.00 0.00 H new ATOM 764 N MET A 50 -8.549 -0.437 4.334 1.00 0.00 N ATOM 765 CA MET A 50 -7.114 -0.678 4.201 1.00 0.00 C ATOM 766 C MET A 50 -6.325 0.374 4.977 1.00 0.00 C ATOM 767 O MET A 50 -5.307 0.074 5.606 1.00 0.00 O ATOM 768 CB MET A 50 -6.719 -0.616 2.727 1.00 0.00 C ATOM 769 CG MET A 50 -7.280 -1.833 1.995 1.00 0.00 C ATOM 770 SD MET A 50 -7.020 -1.631 0.212 1.00 0.00 S ATOM 771 CE MET A 50 -5.220 -1.808 0.220 1.00 0.00 C ATOM 0 H MET A 50 -9.033 -0.248 3.456 1.00 0.00 H new ATOM 0 HA MET A 50 -6.886 -1.665 4.605 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.101 0.300 2.276 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.633 -0.590 2.632 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.789 -2.741 2.345 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.343 -1.943 2.209 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.888 -2.190 -0.745 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.760 -0.837 0.404 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.926 -2.504 1.006 1.00 0.00 H new ATOM 781 N ILE A 51 -6.804 1.612 4.937 1.00 0.00 N ATOM 782 CA ILE A 51 -6.143 2.700 5.645 1.00 0.00 C ATOM 783 C ILE A 51 -6.301 2.545 7.155 1.00 0.00 C ATOM 784 O ILE A 51 -5.365 2.788 7.911 1.00 0.00 O ATOM 785 CB ILE A 51 -6.718 4.046 5.200 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.331 4.302 3.741 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.152 5.169 6.078 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.125 5.493 3.203 1.00 0.00 C ATOM 0 H ILE A 51 -7.643 1.886 4.425 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.081 2.664 5.403 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.803 4.025 5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.262 4.501 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.533 3.416 3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.565 6.125 5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.422 4.988 7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.066 5.192 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.849 5.675 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.192 5.276 3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.901 6.378 3.798 1.00 0.00 H new ATOM 800 N LYS A 52 -7.500 2.188 7.586 1.00 0.00 N ATOM 801 CA LYS A 52 -7.778 2.058 9.009 1.00 0.00 C ATOM 802 C LYS A 52 -6.916 0.975 9.643 1.00 0.00 C ATOM 803 O LYS A 52 -6.319 1.187 10.697 1.00 0.00 O ATOM 804 CB LYS A 52 -9.252 1.704 9.216 1.00 0.00 C ATOM 805 CG LYS A 52 -10.131 2.877 8.785 1.00 0.00 C ATOM 806 CD LYS A 52 -11.617 2.505 8.933 1.00 0.00 C ATOM 807 CE LYS A 52 -12.069 2.767 10.373 1.00 0.00 C ATOM 808 NZ LYS A 52 -11.943 4.223 10.672 1.00 0.00 N ATOM 0 H LYS A 52 -8.292 1.984 6.977 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.548 3.011 9.485 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.507 0.815 8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.435 1.466 10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.905 3.754 9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.916 3.142 7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.220 3.091 8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.767 1.456 8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.102 2.445 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.462 2.187 11.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.684 4.505 11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.008 4.413 11.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.048 4.768 9.793 1.00 0.00 H new ATOM 822 N GLU A 53 -6.859 -0.179 8.992 1.00 0.00 N ATOM 823 CA GLU A 53 -6.074 -1.290 9.506 1.00 0.00 C ATOM 824 C GLU A 53 -4.581 -0.985 9.431 1.00 0.00 C ATOM 825 O GLU A 53 -3.813 -1.385 10.309 1.00 0.00 O ATOM 826 CB GLU A 53 -6.383 -2.562 8.713 1.00 0.00 C ATOM 827 CG GLU A 53 -5.971 -2.367 7.256 1.00 0.00 C ATOM 828 CD GLU A 53 -6.383 -3.581 6.430 1.00 0.00 C ATOM 829 OE1 GLU A 53 -5.646 -4.552 6.440 1.00 0.00 O ATOM 830 OE2 GLU A 53 -7.430 -3.528 5.810 1.00 0.00 O ATOM 0 H GLU A 53 -7.343 -0.368 8.114 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.343 -1.441 10.551 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.849 -3.410 9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.447 -2.791 8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.439 -1.468 6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.893 -2.222 7.191 1.00 0.00 H new ATOM 837 N ALA A 54 -4.179 -0.294 8.373 1.00 0.00 N ATOM 838 CA ALA A 54 -2.777 0.049 8.190 1.00 0.00 C ATOM 839 C ALA A 54 -2.370 1.192 9.112 1.00 0.00 C ATOM 840 O ALA A 54 -1.374 1.102 9.827 1.00 0.00 O ATOM 841 CB ALA A 54 -2.529 0.458 6.733 1.00 0.00 C ATOM 0 H ALA A 54 -4.799 0.038 7.634 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.177 -0.827 8.436 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.478 0.714 6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.786 -0.371 6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.146 1.322 6.488 1.00 0.00 H new ATOM 847 N ASP A 55 -3.148 2.266 9.085 1.00 0.00 N ATOM 848 CA ASP A 55 -2.860 3.428 9.914 1.00 0.00 C ATOM 849 C ASP A 55 -3.182 3.146 11.374 1.00 0.00 C ATOM 850 O ASP A 55 -4.183 2.506 11.687 1.00 0.00 O ATOM 851 CB ASP A 55 -3.681 4.629 9.443 1.00 0.00 C ATOM 852 CG ASP A 55 -3.453 5.818 10.367 1.00 0.00 C ATOM 853 OD1 ASP A 55 -2.457 5.811 11.067 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.286 6.709 10.371 1.00 0.00 O ATOM 0 H ASP A 55 -3.979 2.356 8.501 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.797 3.650 9.822 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.401 4.893 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.740 4.371 9.426 1.00 0.00 H new ATOM 859 N LEU A 56 -2.323 3.623 12.269 1.00 0.00 N ATOM 860 CA LEU A 56 -2.530 3.419 13.701 1.00 0.00 C ATOM 861 C LEU A 56 -2.945 4.723 14.365 1.00 0.00 C ATOM 862 O LEU A 56 -3.175 4.772 15.573 1.00 0.00 O ATOM 863 CB LEU A 56 -1.244 2.904 14.348 1.00 0.00 C ATOM 864 CG LEU A 56 -0.085 3.893 14.082 1.00 0.00 C ATOM 865 CD1 LEU A 56 0.843 3.934 15.295 1.00 0.00 C ATOM 866 CD2 LEU A 56 0.699 3.438 12.852 1.00 0.00 C ATOM 0 H LEU A 56 -1.482 4.150 12.032 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.322 2.682 13.835 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.390 2.783 15.421 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.994 1.922 13.948 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.491 4.889 13.906 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.659 4.631 15.105 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.283 4.261 16.171 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.250 2.939 15.475 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.516 4.134 12.663 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.104 2.441 13.027 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.036 3.413 11.987 1.00 0.00 H new ATOM 878 N ASP A 57 -3.021 5.792 13.574 1.00 0.00 N ATOM 879 CA ASP A 57 -3.396 7.106 14.102 1.00 0.00 C ATOM 880 C ASP A 57 -4.737 7.548 13.521 1.00 0.00 C ATOM 881 O ASP A 57 -5.252 8.609 13.869 1.00 0.00 O ATOM 882 CB ASP A 57 -2.314 8.144 13.742 1.00 0.00 C ATOM 883 CG ASP A 57 -0.966 7.457 13.566 1.00 0.00 C ATOM 884 OD1 ASP A 57 -0.342 7.150 14.570 1.00 0.00 O ATOM 885 OD2 ASP A 57 -0.581 7.238 12.423 1.00 0.00 O ATOM 0 H ASP A 57 -2.830 5.777 12.572 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.484 7.033 15.186 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.589 8.663 12.824 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.247 8.898 14.527 1.00 0.00 H new ATOM 890 N GLY A 58 -5.292 6.727 12.636 1.00 0.00 N ATOM 891 CA GLY A 58 -6.571 7.047 12.014 1.00 0.00 C ATOM 892 C GLY A 58 -6.593 8.488 11.528 1.00 0.00 C ATOM 893 O GLY A 58 -7.561 9.215 11.750 1.00 0.00 O ATOM 0 H GLY A 58 -4.881 5.843 12.336 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.751 6.374 11.176 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.378 6.888 12.730 1.00 0.00 H new ATOM 897 N ASP A 59 -5.516 8.906 10.864 1.00 0.00 N ATOM 898 CA ASP A 59 -5.422 10.271 10.352 1.00 0.00 C ATOM 899 C ASP A 59 -5.743 10.306 8.863 1.00 0.00 C ATOM 900 O ASP A 59 -5.516 11.313 8.197 1.00 0.00 O ATOM 901 CB ASP A 59 -4.013 10.818 10.587 1.00 0.00 C ATOM 902 CG ASP A 59 -2.976 9.888 9.963 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.303 8.738 9.724 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.867 10.339 9.738 1.00 0.00 O ATOM 0 H ASP A 59 -4.702 8.323 10.669 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.145 10.891 10.882 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.925 11.815 10.155 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.827 10.917 11.656 1.00 0.00 H new ATOM 909 N GLY A 60 -6.269 9.200 8.349 1.00 0.00 N ATOM 910 CA GLY A 60 -6.620 9.117 6.935 1.00 0.00 C ATOM 911 C GLY A 60 -5.390 9.305 6.062 1.00 0.00 C ATOM 912 O GLY A 60 -5.495 9.421 4.841 1.00 0.00 O ATOM 0 H GLY A 60 -6.461 8.354 8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.076 8.150 6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.362 9.878 6.695 1.00 0.00 H new ATOM 916 N GLN A 61 -4.219 9.340 6.693 1.00 0.00 N ATOM 917 CA GLN A 61 -2.964 9.520 5.959 1.00 0.00 C ATOM 918 C GLN A 61 -1.959 8.447 6.346 1.00 0.00 C ATOM 919 O GLN A 61 -1.497 8.396 7.486 1.00 0.00 O ATOM 920 CB GLN A 61 -2.381 10.902 6.262 1.00 0.00 C ATOM 921 CG GLN A 61 -3.359 11.985 5.798 1.00 0.00 C ATOM 922 CD GLN A 61 -3.515 11.935 4.282 1.00 0.00 C ATOM 923 OE1 GLN A 61 -2.525 12.000 3.553 1.00 0.00 O ATOM 924 NE2 GLN A 61 -4.705 11.818 3.762 1.00 0.00 N ATOM 0 H GLN A 61 -4.110 9.247 7.703 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.171 9.437 4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.192 11.002 7.331 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.423 11.022 5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.328 11.840 6.276 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.997 12.967 6.102 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.523 11.764 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.817 11.780 2.749 1.00 0.00 H new ATOM 933 N VAL A 62 -1.619 7.589 5.389 1.00 0.00 N ATOM 934 CA VAL A 62 -0.664 6.515 5.648 1.00 0.00 C ATOM 935 C VAL A 62 0.762 7.018 5.451 1.00 0.00 C ATOM 936 O VAL A 62 1.124 7.490 4.372 1.00 0.00 O ATOM 937 CB VAL A 62 -0.926 5.344 4.698 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.222 4.091 5.220 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.430 5.087 4.611 1.00 0.00 C ATOM 0 H VAL A 62 -1.985 7.614 4.437 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.786 6.181 6.678 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.540 5.587 3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.410 3.259 4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.851 4.275 5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.604 3.845 6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.618 4.253 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.816 4.845 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.930 5.979 4.235 1.00 0.00 H new ATOM 949 N ASN A 63 1.572 6.909 6.502 1.00 0.00 N ATOM 950 CA ASN A 63 2.960 7.351 6.439 1.00 0.00 C ATOM 951 C ASN A 63 3.843 6.260 5.848 1.00 0.00 C ATOM 952 O ASN A 63 3.471 5.087 5.836 1.00 0.00 O ATOM 953 CB ASN A 63 3.460 7.720 7.835 1.00 0.00 C ATOM 954 CG ASN A 63 4.916 8.160 7.770 1.00 0.00 C ATOM 955 OD1 ASN A 63 5.815 7.326 7.672 1.00 0.00 O ATOM 956 ND2 ASN A 63 5.206 9.432 7.820 1.00 0.00 N ATOM 0 H ASN A 63 1.291 6.520 7.402 1.00 0.00 H new ATOM 0 HA ASN A 63 3.011 8.230 5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.848 8.521 8.249 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.360 6.865 8.503 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.179 9.735 7.778 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.460 10.122 7.901 1.00 0.00 H new ATOM 963 N TYR A 64 5.012 6.653 5.357 1.00 0.00 N ATOM 964 CA TYR A 64 5.935 5.697 4.758 1.00 0.00 C ATOM 965 C TYR A 64 6.191 4.536 5.711 1.00 0.00 C ATOM 966 O TYR A 64 6.214 3.379 5.297 1.00 0.00 O ATOM 967 CB TYR A 64 7.263 6.389 4.433 1.00 0.00 C ATOM 968 CG TYR A 64 8.213 5.393 3.808 1.00 0.00 C ATOM 969 CD1 TYR A 64 8.041 5.006 2.473 1.00 0.00 C ATOM 970 CD2 TYR A 64 9.263 4.854 4.561 1.00 0.00 C ATOM 971 CE1 TYR A 64 8.919 4.084 1.892 1.00 0.00 C ATOM 972 CE2 TYR A 64 10.140 3.932 3.981 1.00 0.00 C ATOM 973 CZ TYR A 64 9.968 3.546 2.646 1.00 0.00 C ATOM 974 OH TYR A 64 10.834 2.637 2.075 1.00 0.00 O ATOM 0 H TYR A 64 5.341 7.618 5.361 1.00 0.00 H new ATOM 0 HA TYR A 64 5.488 5.313 3.841 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.093 7.222 3.751 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.700 6.804 5.341 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.230 5.419 1.892 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.396 5.151 5.591 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.787 3.788 0.862 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.950 3.518 4.563 1.00 0.00 H new ATOM 0 HH TYR A 64 11.504 2.364 2.736 1.00 0.00 H new ATOM 984 N GLU A 65 6.381 4.849 6.988 1.00 0.00 N ATOM 985 CA GLU A 65 6.642 3.818 7.987 1.00 0.00 C ATOM 986 C GLU A 65 5.473 2.839 8.067 1.00 0.00 C ATOM 987 O GLU A 65 5.669 1.625 8.077 1.00 0.00 O ATOM 988 CB GLU A 65 6.857 4.465 9.356 1.00 0.00 C ATOM 989 CG GLU A 65 8.028 5.445 9.276 1.00 0.00 C ATOM 990 CD GLU A 65 8.262 6.092 10.638 1.00 0.00 C ATOM 991 OE1 GLU A 65 7.527 5.771 11.557 1.00 0.00 O ATOM 992 OE2 GLU A 65 9.174 6.895 10.744 1.00 0.00 O ATOM 0 H GLU A 65 6.360 5.801 7.354 1.00 0.00 H new ATOM 0 HA GLU A 65 7.539 3.273 7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.953 4.986 9.670 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.060 3.699 10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.928 4.923 8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.820 6.213 8.531 1.00 0.00 H new ATOM 999 N GLU A 66 4.261 3.380 8.119 1.00 0.00 N ATOM 1000 CA GLU A 66 3.065 2.543 8.194 1.00 0.00 C ATOM 1001 C GLU A 66 2.972 1.637 6.969 1.00 0.00 C ATOM 1002 O GLU A 66 2.523 0.495 7.051 1.00 0.00 O ATOM 1003 CB GLU A 66 1.817 3.421 8.289 1.00 0.00 C ATOM 1004 CG GLU A 66 1.762 4.085 9.664 1.00 0.00 C ATOM 1005 CD GLU A 66 0.575 5.043 9.739 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.055 5.265 8.717 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.324 5.554 10.814 1.00 0.00 O ATOM 0 H GLU A 66 4.079 4.384 8.111 1.00 0.00 H new ATOM 0 HA GLU A 66 3.131 1.920 9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.834 4.181 7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.923 2.819 8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.675 3.325 10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.689 4.627 9.852 1.00 0.00 H new ATOM 1014 N PHE A 67 3.393 2.155 5.826 1.00 0.00 N ATOM 1015 CA PHE A 67 3.361 1.378 4.595 1.00 0.00 C ATOM 1016 C PHE A 67 4.372 0.239 4.657 1.00 0.00 C ATOM 1017 O PHE A 67 4.061 -0.906 4.326 1.00 0.00 O ATOM 1018 CB PHE A 67 3.681 2.279 3.400 1.00 0.00 C ATOM 1019 CG PHE A 67 3.633 1.464 2.128 1.00 0.00 C ATOM 1020 CD1 PHE A 67 4.789 0.827 1.661 1.00 0.00 C ATOM 1021 CD2 PHE A 67 2.436 1.350 1.413 1.00 0.00 C ATOM 1022 CE1 PHE A 67 4.746 0.074 0.482 1.00 0.00 C ATOM 1023 CE2 PHE A 67 2.393 0.598 0.233 1.00 0.00 C ATOM 1024 CZ PHE A 67 3.548 -0.041 -0.232 1.00 0.00 C ATOM 0 H PHE A 67 3.758 3.102 5.724 1.00 0.00 H new ATOM 0 HA PHE A 67 2.362 0.959 4.477 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.965 3.099 3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.668 2.726 3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.714 0.917 2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.544 1.843 1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.638 -0.418 0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.469 0.511 -0.318 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.515 -0.623 -1.141 1.00 0.00 H new ATOM 1034 N VAL A 68 5.594 0.560 5.071 1.00 0.00 N ATOM 1035 CA VAL A 68 6.647 -0.443 5.142 1.00 0.00 C ATOM 1036 C VAL A 68 6.242 -1.590 6.069 1.00 0.00 C ATOM 1037 O VAL A 68 6.250 -2.759 5.665 1.00 0.00 O ATOM 1038 CB VAL A 68 7.938 0.199 5.675 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.968 -0.892 5.993 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.515 1.143 4.616 1.00 0.00 C ATOM 0 H VAL A 68 5.876 1.497 5.359 1.00 0.00 H new ATOM 0 HA VAL A 68 6.811 -0.838 4.140 1.00 0.00 H new ATOM 0 HB VAL A 68 7.710 0.759 6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.881 -0.432 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.563 -1.566 6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.193 -1.455 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.430 1.598 4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.737 0.580 3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.789 1.923 4.390 1.00 0.00 H new ATOM 1050 N LYS A 69 5.898 -1.252 7.305 1.00 0.00 N ATOM 1051 CA LYS A 69 5.516 -2.268 8.274 1.00 0.00 C ATOM 1052 C LYS A 69 4.376 -3.121 7.726 1.00 0.00 C ATOM 1053 O LYS A 69 4.385 -4.344 7.857 1.00 0.00 O ATOM 1054 CB LYS A 69 5.100 -1.594 9.597 1.00 0.00 C ATOM 1055 CG LYS A 69 3.614 -1.235 9.564 1.00 0.00 C ATOM 1056 CD LYS A 69 3.232 -0.477 10.819 1.00 0.00 C ATOM 1057 CE LYS A 69 1.711 -0.319 10.868 1.00 0.00 C ATOM 1058 NZ LYS A 69 1.267 0.582 9.768 1.00 0.00 N ATOM 0 H LYS A 69 5.876 -0.295 7.656 1.00 0.00 H new ATOM 0 HA LYS A 69 6.369 -2.920 8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.301 -2.264 10.433 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.695 -0.695 9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.398 -0.629 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.015 -2.142 9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.583 -1.011 11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.712 0.502 10.827 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.231 -1.293 10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.409 0.091 11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.259 0.418 9.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.407 1.572 10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.824 0.385 8.912 1.00 0.00 H new ATOM 1072 N MET A 70 3.382 -2.455 7.144 1.00 0.00 N ATOM 1073 CA MET A 70 2.234 -3.157 6.596 1.00 0.00 C ATOM 1074 C MET A 70 2.660 -4.017 5.420 1.00 0.00 C ATOM 1075 O MET A 70 2.232 -5.161 5.289 1.00 0.00 O ATOM 1076 CB MET A 70 1.170 -2.149 6.145 1.00 0.00 C ATOM 1077 CG MET A 70 0.425 -1.593 7.360 1.00 0.00 C ATOM 1078 SD MET A 70 -0.427 -2.935 8.235 1.00 0.00 S ATOM 1079 CE MET A 70 -1.526 -3.426 6.885 1.00 0.00 C ATOM 0 H MET A 70 3.351 -1.441 7.042 1.00 0.00 H new ATOM 0 HA MET A 70 1.812 -3.799 7.370 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.640 -1.335 5.593 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.466 -2.630 5.466 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.127 -1.098 8.032 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.296 -0.840 7.041 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.492 -3.724 7.292 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.663 -2.586 6.204 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.086 -4.264 6.344 1.00 0.00 H new ATOM 1089 N MET A 71 3.514 -3.464 4.568 1.00 0.00 N ATOM 1090 CA MET A 71 3.990 -4.191 3.405 1.00 0.00 C ATOM 1091 C MET A 71 4.546 -5.549 3.818 1.00 0.00 C ATOM 1092 O MET A 71 4.323 -6.554 3.141 1.00 0.00 O ATOM 1093 CB MET A 71 5.090 -3.387 2.704 1.00 0.00 C ATOM 1094 CG MET A 71 5.326 -3.958 1.293 1.00 0.00 C ATOM 1095 SD MET A 71 4.479 -2.919 0.070 1.00 0.00 S ATOM 1096 CE MET A 71 4.056 -4.234 -1.088 1.00 0.00 C ATOM 0 H MET A 71 3.888 -2.520 4.662 1.00 0.00 H new ATOM 0 HA MET A 71 3.153 -4.340 2.723 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.803 -2.338 2.639 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.012 -3.430 3.284 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.394 -3.994 1.078 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.954 -4.981 1.236 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.041 -3.835 -2.102 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.798 -5.029 -1.022 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.073 -4.634 -0.841 1.00 0.00 H new ATOM 1106 N MET A 72 5.264 -5.572 4.936 1.00 0.00 N ATOM 1107 CA MET A 72 5.834 -6.820 5.439 1.00 0.00 C ATOM 1108 C MET A 72 4.760 -7.671 6.116 1.00 0.00 C ATOM 1109 O MET A 72 4.651 -8.872 5.866 1.00 0.00 O ATOM 1110 CB MET A 72 6.950 -6.520 6.436 1.00 0.00 C ATOM 1111 CG MET A 72 8.142 -5.914 5.693 1.00 0.00 C ATOM 1112 SD MET A 72 9.460 -5.541 6.875 1.00 0.00 S ATOM 1113 CE MET A 72 10.514 -4.599 5.747 1.00 0.00 C ATOM 0 H MET A 72 5.465 -4.751 5.507 1.00 0.00 H new ATOM 0 HA MET A 72 6.240 -7.375 4.594 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.594 -5.830 7.201 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.252 -7.434 6.947 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.504 -6.609 4.935 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.837 -5.006 5.173 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.405 -4.263 6.277 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.807 -5.232 4.909 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.966 -3.734 5.374 1.00 0.00 H new ATOM 1123 N THR A 73 3.965 -7.038 6.974 1.00 0.00 N ATOM 1124 CA THR A 73 2.903 -7.743 7.686 1.00 0.00 C ATOM 1125 C THR A 73 2.119 -8.634 6.727 1.00 0.00 C ATOM 1126 O THR A 73 1.609 -9.684 7.117 1.00 0.00 O ATOM 1127 CB THR A 73 1.955 -6.738 8.341 1.00 0.00 C ATOM 1128 OG1 THR A 73 2.708 -5.809 9.107 1.00 0.00 O ATOM 1129 CG2 THR A 73 0.969 -7.478 9.248 1.00 0.00 C ATOM 0 H THR A 73 4.035 -6.044 7.192 1.00 0.00 H new ATOM 0 HA THR A 73 3.358 -8.366 8.456 1.00 0.00 H new ATOM 0 HB THR A 73 1.400 -6.204 7.569 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.022 -5.085 8.526 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.294 -6.760 9.714 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.391 -8.187 8.655 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.518 -8.014 10.022 1.00 0.00 H new ATOM 1137 N VAL A 74 2.031 -8.206 5.471 1.00 0.00 N ATOM 1138 CA VAL A 74 1.306 -8.973 4.467 1.00 0.00 C ATOM 1139 C VAL A 74 1.923 -10.358 4.305 1.00 0.00 C ATOM 1140 O VAL A 74 1.214 -11.364 4.265 1.00 0.00 O ATOM 1141 CB VAL A 74 1.333 -8.237 3.126 1.00 0.00 C ATOM 1142 CG1 VAL A 74 0.765 -9.143 2.029 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.480 -6.966 3.229 1.00 0.00 C ATOM 0 H VAL A 74 2.449 -7.341 5.128 1.00 0.00 H new ATOM 0 HA VAL A 74 0.273 -9.085 4.797 1.00 0.00 H new ATOM 0 HB VAL A 74 2.361 -7.971 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.786 -8.616 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.368 -10.048 1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.263 -9.410 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.497 -6.438 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.547 -7.236 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.883 -6.319 4.008 1.00 0.00 H new ATOM 1205 N GLY A 80 -4.920 -8.260 6.047 1.00 0.00 N ATOM 1206 CA GLY A 80 -5.600 -7.235 5.268 1.00 0.00 C ATOM 1207 C GLY A 80 -6.254 -7.835 4.030 1.00 0.00 C ATOM 1208 O GLY A 80 -5.612 -8.551 3.263 1.00 0.00 O ATOM 0 HA2 GLY A 80 -6.356 -6.747 5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.887 -6.466 4.971 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.536 -7.541 3.840 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.263 -8.062 2.687 1.00 0.00 C ATOM 1214 C ASN A 81 -7.856 -7.317 1.415 1.00 0.00 C ATOM 1215 O ASN A 81 -7.600 -7.931 0.374 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.771 -7.908 2.915 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.266 -8.973 3.888 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -9.594 -9.982 4.100 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -11.410 -8.809 4.496 1.00 0.00 N ATOM 0 H ASN A 81 -8.089 -6.951 4.462 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.018 -9.117 2.567 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.987 -6.915 3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.301 -7.996 1.967 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.748 -9.518 5.147 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.966 -7.972 4.319 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.787 -5.992 1.508 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.406 -5.179 0.360 1.00 0.00 C ATOM 1228 C GLY A 82 -5.908 -5.287 0.088 1.00 0.00 C ATOM 1229 O GLY A 82 -5.485 -5.482 -1.052 1.00 0.00 O ATOM 0 H GLY A 82 -7.988 -5.464 2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.963 -5.501 -0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.672 -4.138 0.542 1.00 0.00 H new ATOM 1233 N TRP A 83 -5.110 -5.167 1.147 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.660 -5.263 1.011 1.00 0.00 C ATOM 1235 C TRP A 83 -3.285 -6.603 0.382 1.00 0.00 C ATOM 1236 O TRP A 83 -2.422 -6.673 -0.490 1.00 0.00 O ATOM 1237 CB TRP A 83 -3.001 -5.131 2.383 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.157 -3.732 2.877 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -3.993 -3.348 3.867 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.479 -2.527 2.423 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -3.870 -1.983 4.054 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -2.949 -1.431 3.186 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.513 -2.279 1.432 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.475 -0.135 2.974 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.034 -0.977 1.217 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -1.514 0.093 1.986 1.00 0.00 C ATOM 0 H TRP A 83 -5.439 -5.005 2.099 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.308 -4.457 0.367 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.456 -5.829 3.086 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.944 -5.389 2.317 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.650 -4.001 4.422 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.395 -1.450 4.747 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.137 -3.095 0.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.848 0.685 3.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.291 -0.798 0.454 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.141 1.092 1.815 1.00 0.00 H new ATOM 1257 N SER A 84 -3.949 -7.667 0.827 1.00 0.00 N ATOM 1258 CA SER A 84 -3.690 -9.002 0.292 1.00 0.00 C ATOM 1259 C SER A 84 -4.039 -9.053 -1.192 1.00 0.00 C ATOM 1260 O SER A 84 -3.338 -9.686 -1.988 1.00 0.00 O ATOM 1261 CB SER A 84 -4.513 -10.042 1.048 1.00 0.00 C ATOM 1262 OG SER A 84 -4.259 -11.329 0.503 1.00 0.00 O ATOM 0 H SER A 84 -4.666 -7.632 1.552 1.00 0.00 H new ATOM 0 HA SER A 84 -2.630 -9.225 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.256 -10.026 2.107 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.575 -9.806 0.974 1.00 0.00 H new ATOM 0 HG SER A 84 -4.785 -11.999 0.988 1.00 0.00 H new ATOM 1268 N ARG A 85 -5.128 -8.375 -1.563 1.00 0.00 N ATOM 1269 CA ARG A 85 -5.546 -8.345 -2.963 1.00 0.00 C ATOM 1270 C ARG A 85 -4.484 -7.682 -3.835 1.00 0.00 C ATOM 1271 O ARG A 85 -4.173 -8.165 -4.924 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.875 -7.594 -3.091 1.00 0.00 C ATOM 1273 CG ARG A 85 -8.022 -8.504 -2.650 1.00 0.00 C ATOM 1274 CD ARG A 85 -9.325 -7.703 -2.628 1.00 0.00 C ATOM 1275 NE ARG A 85 -9.662 -7.251 -3.973 1.00 0.00 N ATOM 1276 CZ ARG A 85 -10.690 -6.434 -4.184 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -11.415 -6.024 -3.179 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -10.973 -6.043 -5.396 1.00 0.00 N ATOM 0 H ARG A 85 -5.726 -7.849 -0.925 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.676 -9.371 -3.307 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.856 -6.693 -2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.026 -7.275 -4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.113 -9.349 -3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.817 -8.913 -1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -10.132 -8.319 -2.231 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.222 -6.845 -1.964 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.101 -7.566 -4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -11.193 -6.330 -2.232 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.203 -5.397 -3.341 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.406 -6.364 -6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.761 -5.416 -5.559 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.938 -6.577 -3.350 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.908 -5.863 -4.086 1.00 0.00 C ATOM 1294 C LEU A 86 -1.623 -6.684 -4.125 1.00 0.00 C ATOM 1295 O LEU A 86 -0.895 -6.672 -5.115 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.638 -4.508 -3.430 1.00 0.00 C ATOM 1297 CG LEU A 86 -1.712 -3.668 -4.335 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -2.556 -2.874 -5.333 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -0.896 -2.704 -3.473 1.00 0.00 C ATOM 0 H LEU A 86 -4.190 -6.158 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.256 -5.702 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.577 -3.980 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.176 -4.651 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.037 -4.329 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.902 -2.281 -5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.136 -3.562 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.232 -2.212 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.242 -2.110 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.570 -2.042 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.294 -3.271 -2.763 1.00 0.00 H new ATOM 1311 N ARG A 87 -1.339 -7.381 -3.031 1.00 0.00 N ATOM 1312 CA ARG A 87 -0.132 -8.188 -2.947 1.00 0.00 C ATOM 1313 C ARG A 87 -0.299 -9.489 -3.718 1.00 0.00 C ATOM 1314 O ARG A 87 0.678 -10.185 -4.002 1.00 0.00 O ATOM 1315 CB ARG A 87 0.191 -8.494 -1.476 1.00 0.00 C ATOM 1316 CG ARG A 87 1.718 -8.627 -1.302 1.00 0.00 C ATOM 1317 CD ARG A 87 2.321 -7.246 -1.006 1.00 0.00 C ATOM 1318 NE ARG A 87 3.683 -7.176 -1.518 1.00 0.00 N ATOM 1319 CZ ARG A 87 3.928 -6.785 -2.767 1.00 0.00 C ATOM 1320 NH1 ARG A 87 2.939 -6.457 -3.556 1.00 0.00 N ATOM 1321 NH2 ARG A 87 5.156 -6.725 -3.203 1.00 0.00 N ATOM 0 H ARG A 87 -1.925 -7.403 -2.196 1.00 0.00 H new ATOM 0 HA ARG A 87 0.690 -7.625 -3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.191 -7.699 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.303 -9.416 -1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.943 -9.316 -0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.163 -9.044 -2.205 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.711 -6.468 -1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.318 -7.061 0.068 1.00 0.00 H new ATOM 0 HE ARG A 87 4.461 -7.431 -0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.979 -6.500 -3.215 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.128 -6.158 -4.513 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.929 -6.978 -2.587 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.343 -6.425 -4.160 1.00 0.00 H new ATOM 1335 N ARG A 88 -1.542 -9.815 -4.050 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.829 -11.034 -4.796 1.00 0.00 C ATOM 1337 C ARG A 88 -1.704 -10.795 -6.293 1.00 0.00 C ATOM 1338 O ARG A 88 -1.110 -11.599 -7.011 1.00 0.00 O ATOM 1339 CB ARG A 88 -3.242 -11.522 -4.471 1.00 0.00 C ATOM 1340 CG ARG A 88 -3.264 -12.135 -3.051 1.00 0.00 C ATOM 1341 CD ARG A 88 -3.207 -13.661 -3.153 1.00 0.00 C ATOM 1342 NE ARG A 88 -1.964 -14.076 -3.797 1.00 0.00 N ATOM 1343 CZ ARG A 88 -1.852 -15.269 -4.371 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -2.867 -16.090 -4.367 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -0.732 -15.619 -4.938 1.00 0.00 N ATOM 0 H ARG A 88 -2.363 -9.256 -3.816 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.104 -11.793 -4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.947 -10.693 -4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.559 -12.264 -5.204 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.418 -11.767 -2.471 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.168 -11.829 -2.525 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.275 -14.102 -2.159 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.061 -14.027 -3.723 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.168 -13.439 -3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.744 -15.815 -3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.783 -17.006 -4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.060 -14.977 -4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.648 -16.535 -5.378 1.00 0.00 H new