USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 MET CE :methyl -146:sc= -0.538 (180deg=-1.73!) USER MOD Set 1.2: A 48 MET CE :methyl 163:sc= -4.68! (180deg=-5.34!) USER MOD Set 2.1: A 20 THR OG1 : rot 131:sc= -0.269 USER MOD Set 2.2: A 51 TYR OH : rot -11:sc= -0.506 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.91! USER MOD Single : A 14 GLN : amide:sc= -0.939 K(o=-0.94,f=-0.068) USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= 0.942 (180deg=0.86) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 22 SER OG : rot 72:sc= 1.24 USER MOD Single : A 24 LYS NZ :NH3+ 144:sc= 1.14 (180deg=0.268) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -71:sc= 1.16 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 30:sc= 0.953 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.798 K(o=0.8,f=-6!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 139 N LEU A 10 -9.825 8.345 5.054 1.00 0.00 N ATOM 140 CA LEU A 10 -10.344 8.121 3.756 1.00 0.00 C ATOM 141 C LEU A 10 -11.275 6.930 3.803 1.00 0.00 C ATOM 142 O LEU A 10 -11.577 6.395 4.879 1.00 0.00 O ATOM 143 CB LEU A 10 -9.198 7.801 2.762 1.00 0.00 C ATOM 144 CG LEU A 10 -7.855 8.567 2.877 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.019 8.024 4.020 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.084 8.471 1.578 1.00 0.00 C ATOM 0 HA LEU A 10 -10.870 9.017 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.976 6.737 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.583 7.965 1.755 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.077 9.614 3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.082 8.577 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.567 8.135 4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.807 6.969 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.143 9.013 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.879 7.424 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.674 8.906 0.772 1.00 0.00 H new ATOM 158 N THR A 11 -11.727 6.502 2.657 1.00 0.00 N ATOM 159 CA THR A 11 -12.578 5.361 2.599 1.00 0.00 C ATOM 160 C THR A 11 -11.746 4.158 2.229 1.00 0.00 C ATOM 161 O THR A 11 -10.565 4.303 1.902 1.00 0.00 O ATOM 162 CB THR A 11 -13.736 5.546 1.583 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.237 5.397 0.252 1.00 0.00 O ATOM 164 CG2 THR A 11 -14.306 6.944 1.685 1.00 0.00 C ATOM 0 H THR A 11 -11.517 6.930 1.755 1.00 0.00 H new ATOM 0 HA THR A 11 -13.037 5.221 3.578 1.00 0.00 H new ATOM 0 HB THR A 11 -14.500 4.801 1.805 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.971 5.513 -0.387 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.117 7.059 0.966 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.687 7.109 2.693 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.524 7.672 1.469 1.00 0.00 H new ATOM 172 N PHE A 12 -12.348 2.986 2.257 1.00 0.00 N ATOM 173 CA PHE A 12 -11.640 1.780 1.921 1.00 0.00 C ATOM 174 C PHE A 12 -11.202 1.821 0.464 1.00 0.00 C ATOM 175 O PHE A 12 -10.088 1.464 0.096 1.00 0.00 O ATOM 176 CB PHE A 12 -12.497 0.535 2.217 1.00 0.00 C ATOM 177 CG PHE A 12 -11.842 -0.759 1.829 1.00 0.00 C ATOM 178 CD1 PHE A 12 -12.429 -1.605 0.904 1.00 0.00 C ATOM 179 CD2 PHE A 12 -10.626 -1.113 2.371 1.00 0.00 C ATOM 180 CE1 PHE A 12 -11.805 -2.779 0.533 1.00 0.00 C ATOM 181 CE2 PHE A 12 -10.005 -2.280 2.005 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.588 -3.111 1.090 1.00 0.00 C ATOM 0 H PHE A 12 -13.327 2.849 2.510 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.748 1.713 2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.728 0.509 3.282 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.445 0.624 1.687 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.383 -1.345 0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.155 -0.463 3.094 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.268 -3.434 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.053 -2.543 2.441 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.095 -4.028 0.803 1.00 0.00 H new ATOM 192 N ASP A 13 -12.111 2.345 -0.320 1.00 0.00 N ATOM 193 CA ASP A 13 -11.884 2.585 -1.738 1.00 0.00 C ATOM 194 C ASP A 13 -10.854 3.660 -1.986 1.00 0.00 C ATOM 195 O ASP A 13 -10.052 3.552 -2.899 1.00 0.00 O ATOM 196 CB ASP A 13 -13.176 2.845 -2.498 1.00 0.00 C ATOM 197 CG ASP A 13 -14.068 1.626 -2.518 1.00 0.00 C ATOM 198 OD1 ASP A 13 -15.076 1.604 -1.798 1.00 0.00 O ATOM 199 OD2 ASP A 13 -13.757 0.654 -3.240 1.00 0.00 O ATOM 0 H ASP A 13 -13.038 2.622 0.002 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.468 1.660 -2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.708 3.677 -2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.943 3.142 -3.521 1.00 0.00 H new ATOM 204 N GLN A 14 -10.827 4.657 -1.120 1.00 0.00 N ATOM 205 CA GLN A 14 -9.880 5.755 -1.258 1.00 0.00 C ATOM 206 C GLN A 14 -8.500 5.264 -0.874 1.00 0.00 C ATOM 207 O GLN A 14 -7.505 5.652 -1.470 1.00 0.00 O ATOM 208 CB GLN A 14 -10.266 6.960 -0.403 1.00 0.00 C ATOM 209 CG GLN A 14 -11.567 7.664 -0.800 1.00 0.00 C ATOM 210 CD GLN A 14 -11.544 8.288 -2.185 1.00 0.00 C ATOM 211 OE1 GLN A 14 -12.590 8.381 -2.867 1.00 0.00 O ATOM 212 NE2 GLN A 14 -10.412 8.746 -2.592 1.00 0.00 N ATOM 0 H GLN A 14 -11.448 4.731 -0.314 1.00 0.00 H new ATOM 0 HA GLN A 14 -9.890 6.086 -2.297 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.352 6.635 0.634 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.454 7.686 -0.443 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.385 6.945 -0.752 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.783 8.442 -0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.583 8.650 -2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.344 9.205 -3.500 1.00 0.00 H new ATOM 221 N VAL A 15 -8.455 4.414 0.143 1.00 0.00 N ATOM 222 CA VAL A 15 -7.215 3.896 0.658 1.00 0.00 C ATOM 223 C VAL A 15 -6.665 2.929 -0.329 1.00 0.00 C ATOM 224 O VAL A 15 -5.449 2.899 -0.573 1.00 0.00 O ATOM 225 CB VAL A 15 -7.337 3.286 2.080 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.065 2.553 2.441 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.528 4.395 3.086 1.00 0.00 C ATOM 0 H VAL A 15 -9.284 4.070 0.628 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.521 4.727 0.786 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.184 2.600 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.161 2.129 3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.890 1.753 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.226 3.249 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.614 3.969 4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.672 5.069 3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.436 4.949 2.849 1.00 0.00 H new ATOM 237 N LYS A 16 -7.539 2.138 -0.913 1.00 0.00 N ATOM 238 CA LYS A 16 -7.159 1.306 -1.992 1.00 0.00 C ATOM 239 C LYS A 16 -6.534 2.148 -3.102 1.00 0.00 C ATOM 240 O LYS A 16 -5.453 1.862 -3.540 1.00 0.00 O ATOM 241 CB LYS A 16 -8.356 0.499 -2.508 1.00 0.00 C ATOM 242 CG LYS A 16 -8.692 -0.761 -1.686 1.00 0.00 C ATOM 243 CD LYS A 16 -9.776 -1.634 -2.350 1.00 0.00 C ATOM 244 CE LYS A 16 -11.104 -0.901 -2.459 1.00 0.00 C ATOM 245 NZ LYS A 16 -12.166 -1.662 -3.181 1.00 0.00 N ATOM 0 H LYS A 16 -8.520 2.066 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.414 0.592 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.232 1.147 -2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.158 0.201 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.787 -1.353 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.029 -0.463 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.443 -1.933 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.912 -2.548 -1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.460 -0.666 -1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.941 0.048 -2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.964 -1.029 -3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.779 -2.040 -4.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.496 -2.448 -2.585 1.00 0.00 H new ATOM 259 N GLU A 17 -7.184 3.224 -3.495 1.00 0.00 N ATOM 260 CA GLU A 17 -6.607 4.111 -4.498 1.00 0.00 C ATOM 261 C GLU A 17 -5.288 4.766 -4.039 1.00 0.00 C ATOM 262 O GLU A 17 -4.426 5.041 -4.864 1.00 0.00 O ATOM 263 CB GLU A 17 -7.590 5.160 -4.983 1.00 0.00 C ATOM 264 CG GLU A 17 -8.783 4.589 -5.722 1.00 0.00 C ATOM 265 CD GLU A 17 -9.705 5.664 -6.219 1.00 0.00 C ATOM 266 OE1 GLU A 17 -9.982 6.616 -5.475 1.00 0.00 O ATOM 267 OE2 GLU A 17 -10.216 5.572 -7.361 1.00 0.00 O ATOM 0 H GLU A 17 -8.099 3.507 -3.145 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.368 3.466 -5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.946 5.734 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.068 5.857 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.435 3.992 -6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.332 3.918 -5.061 1.00 0.00 H new ATOM 274 N GLN A 18 -5.102 4.950 -2.719 1.00 0.00 N ATOM 275 CA GLN A 18 -3.942 5.556 -2.156 1.00 0.00 C ATOM 276 C GLN A 18 -2.802 4.625 -2.380 1.00 0.00 C ATOM 277 O GLN A 18 -1.806 4.957 -3.034 1.00 0.00 O ATOM 278 CB GLN A 18 -4.238 5.820 -0.667 1.00 0.00 C ATOM 279 CG GLN A 18 -3.042 6.042 0.179 1.00 0.00 C ATOM 280 CD GLN A 18 -3.365 6.306 1.639 1.00 0.00 C ATOM 281 OE1 GLN A 18 -3.456 5.385 2.435 1.00 0.00 O ATOM 282 NE2 GLN A 18 -3.518 7.554 2.005 1.00 0.00 N ATOM 0 H GLN A 18 -5.788 4.665 -2.020 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.681 6.511 -2.613 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.886 6.693 -0.590 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.795 4.973 -0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.394 5.168 0.112 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.480 6.887 -0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.436 8.301 1.316 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.719 7.779 2.979 1.00 0.00 H new ATOM 291 N LEU A 19 -2.982 3.465 -1.873 1.00 0.00 N ATOM 292 CA LEU A 19 -2.027 2.433 -1.931 1.00 0.00 C ATOM 293 C LEU A 19 -1.765 1.987 -3.352 1.00 0.00 C ATOM 294 O LEU A 19 -0.618 1.805 -3.744 1.00 0.00 O ATOM 295 CB LEU A 19 -2.533 1.309 -1.107 1.00 0.00 C ATOM 296 CG LEU A 19 -2.391 1.439 0.412 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.036 0.266 1.091 1.00 0.00 C ATOM 298 CD2 LEU A 19 -0.926 1.547 0.827 1.00 0.00 C ATOM 0 H LEU A 19 -3.838 3.200 -1.385 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.073 2.793 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.589 1.169 -1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.016 0.401 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.895 2.355 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.930 0.367 2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.094 0.232 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.553 -0.655 0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.861 1.638 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.390 0.654 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.480 2.426 0.362 1.00 0.00 H new ATOM 310 N THR A 20 -2.820 1.873 -4.119 1.00 0.00 N ATOM 311 CA THR A 20 -2.721 1.482 -5.504 1.00 0.00 C ATOM 312 C THR A 20 -1.873 2.461 -6.281 1.00 0.00 C ATOM 313 O THR A 20 -0.874 2.069 -6.861 1.00 0.00 O ATOM 314 CB THR A 20 -4.128 1.361 -6.145 1.00 0.00 C ATOM 315 OG1 THR A 20 -4.808 0.228 -5.603 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.085 1.291 -7.673 1.00 0.00 C ATOM 0 H THR A 20 -3.773 2.049 -3.801 1.00 0.00 H new ATOM 0 HA THR A 20 -2.240 0.505 -5.542 1.00 0.00 H new ATOM 0 HB THR A 20 -4.677 2.270 -5.899 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.709 0.491 -5.320 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.100 1.207 -8.062 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.619 2.195 -8.066 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.505 0.421 -7.981 1.00 0.00 H new ATOM 324 N GLU A 21 -2.205 3.736 -6.192 1.00 0.00 N ATOM 325 CA GLU A 21 -1.538 4.755 -6.992 1.00 0.00 C ATOM 326 C GLU A 21 -0.064 4.850 -6.604 1.00 0.00 C ATOM 327 O GLU A 21 0.820 4.989 -7.443 1.00 0.00 O ATOM 328 CB GLU A 21 -2.269 6.076 -6.818 1.00 0.00 C ATOM 329 CG GLU A 21 -1.758 7.229 -7.661 1.00 0.00 C ATOM 330 CD GLU A 21 -2.573 8.482 -7.457 1.00 0.00 C ATOM 331 OE1 GLU A 21 -2.329 9.211 -6.478 1.00 0.00 O ATOM 332 OE2 GLU A 21 -3.476 8.765 -8.268 1.00 0.00 O ATOM 0 H GLU A 21 -2.933 4.094 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.568 4.488 -8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.323 5.920 -7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.213 6.365 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.717 7.429 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.783 6.948 -8.714 1.00 0.00 H new ATOM 339 N SER A 22 0.165 4.727 -5.324 1.00 0.00 N ATOM 340 CA SER A 22 1.506 4.767 -4.759 1.00 0.00 C ATOM 341 C SER A 22 2.331 3.573 -5.248 1.00 0.00 C ATOM 342 O SER A 22 3.464 3.734 -5.721 1.00 0.00 O ATOM 343 CB SER A 22 1.434 4.777 -3.235 1.00 0.00 C ATOM 344 OG SER A 22 0.688 5.896 -2.770 1.00 0.00 O ATOM 0 H SER A 22 -0.572 4.595 -4.631 1.00 0.00 H new ATOM 0 HA SER A 22 1.997 5.682 -5.092 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.972 3.855 -2.883 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.441 4.808 -2.819 1.00 0.00 H new ATOM 0 HG SER A 22 -0.263 5.757 -2.960 1.00 0.00 H new ATOM 350 N GLY A 23 1.735 2.387 -5.184 1.00 0.00 N ATOM 351 CA GLY A 23 2.374 1.177 -5.637 1.00 0.00 C ATOM 352 C GLY A 23 2.671 1.229 -7.111 1.00 0.00 C ATOM 353 O GLY A 23 3.647 0.695 -7.561 1.00 0.00 O ATOM 0 H GLY A 23 0.794 2.248 -4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.300 1.024 -5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.731 0.323 -5.424 1.00 0.00 H new ATOM 357 N LYS A 24 1.805 1.899 -7.831 1.00 0.00 N ATOM 358 CA LYS A 24 1.956 2.090 -9.265 1.00 0.00 C ATOM 359 C LYS A 24 3.147 2.966 -9.624 1.00 0.00 C ATOM 360 O LYS A 24 3.730 2.834 -10.696 1.00 0.00 O ATOM 361 CB LYS A 24 0.678 2.635 -9.831 1.00 0.00 C ATOM 362 CG LYS A 24 -0.465 1.631 -9.752 1.00 0.00 C ATOM 363 CD LYS A 24 -0.350 0.522 -10.808 1.00 0.00 C ATOM 364 CE LYS A 24 -0.586 1.068 -12.201 1.00 0.00 C ATOM 365 NZ LYS A 24 -0.350 0.086 -13.281 1.00 0.00 N ATOM 0 H LYS A 24 0.968 2.333 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 24 2.164 1.118 -9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.401 3.540 -9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.837 2.920 -10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.481 1.182 -8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.413 2.154 -9.881 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.639 0.067 -10.755 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.074 -0.264 -10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.612 1.428 -12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.065 1.928 -12.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.038 0.239 -14.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.614 0.204 -13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.460 -0.877 -12.904 1.00 0.00 H new ATOM 379 N LYS A 25 3.488 3.885 -8.746 1.00 0.00 N ATOM 380 CA LYS A 25 4.635 4.749 -8.940 1.00 0.00 C ATOM 381 C LYS A 25 5.892 3.990 -8.647 1.00 0.00 C ATOM 382 O LYS A 25 6.849 3.998 -9.412 1.00 0.00 O ATOM 383 CB LYS A 25 4.552 5.932 -7.995 1.00 0.00 C ATOM 384 CG LYS A 25 3.318 6.769 -8.162 1.00 0.00 C ATOM 385 CD LYS A 25 3.273 7.871 -7.132 1.00 0.00 C ATOM 386 CE LYS A 25 1.988 8.646 -7.243 1.00 0.00 C ATOM 387 NZ LYS A 25 1.955 9.814 -6.339 1.00 0.00 N ATOM 0 H LYS A 25 2.979 4.055 -7.878 1.00 0.00 H new ATOM 0 HA LYS A 25 4.642 5.099 -9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.593 5.566 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.428 6.563 -8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.298 7.200 -9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.432 6.141 -8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.363 7.446 -6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.121 8.541 -7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.857 8.982 -8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.149 7.989 -7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.051 10.315 -6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.053 9.494 -5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.738 10.457 -6.573 1.00 0.00 H new ATOM 401 N ARG A 26 5.845 3.294 -7.545 1.00 0.00 N ATOM 402 CA ARG A 26 7.011 2.609 -7.012 1.00 0.00 C ATOM 403 C ARG A 26 7.296 1.334 -7.775 1.00 0.00 C ATOM 404 O ARG A 26 8.416 1.062 -8.198 1.00 0.00 O ATOM 405 CB ARG A 26 6.797 2.253 -5.546 1.00 0.00 C ATOM 406 CG ARG A 26 6.480 3.420 -4.646 1.00 0.00 C ATOM 407 CD ARG A 26 6.110 2.939 -3.257 1.00 0.00 C ATOM 408 NE ARG A 26 7.224 2.320 -2.516 1.00 0.00 N ATOM 409 CZ ARG A 26 7.061 1.653 -1.361 1.00 0.00 C ATOM 410 NH1 ARG A 26 5.845 1.424 -0.902 1.00 0.00 N ATOM 411 NH2 ARG A 26 8.115 1.219 -0.692 1.00 0.00 N ATOM 0 H ARG A 26 5.001 3.180 -6.984 1.00 0.00 H new ATOM 0 HA ARG A 26 7.857 3.288 -7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.984 1.530 -5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.694 1.759 -5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.341 4.086 -4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.658 3.998 -5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.730 3.783 -2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.297 2.217 -3.339 1.00 0.00 H new ATOM 0 HE ARG A 26 8.166 2.402 -2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.033 1.753 -1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.718 0.918 -0.026 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.054 1.390 -1.052 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.990 0.713 0.185 1.00 0.00 H new ATOM 425 N GLY A 27 6.241 0.582 -7.951 1.00 0.00 N ATOM 426 CA GLY A 27 6.287 -0.720 -8.533 1.00 0.00 C ATOM 427 C GLY A 27 6.211 -1.743 -7.449 1.00 0.00 C ATOM 428 O GLY A 27 6.295 -2.952 -7.696 1.00 0.00 O ATOM 0 H GLY A 27 5.301 0.874 -7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.460 -0.849 -9.231 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.207 -0.844 -9.104 1.00 0.00 H new ATOM 432 N VAL A 28 5.980 -1.262 -6.235 1.00 0.00 N ATOM 433 CA VAL A 28 6.052 -2.092 -5.086 1.00 0.00 C ATOM 434 C VAL A 28 5.302 -1.478 -3.914 1.00 0.00 C ATOM 435 O VAL A 28 5.052 -0.265 -3.890 1.00 0.00 O ATOM 436 CB VAL A 28 7.532 -2.285 -4.712 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.168 -1.040 -4.126 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.743 -3.471 -3.867 1.00 0.00 C ATOM 0 H VAL A 28 5.741 -0.290 -6.041 1.00 0.00 H new ATOM 0 HA VAL A 28 5.587 -3.052 -5.313 1.00 0.00 H new ATOM 0 HB VAL A 28 8.054 -2.469 -5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.211 -1.244 -3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.116 -0.229 -4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.635 -0.751 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.803 -3.565 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.172 -3.367 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.411 -4.362 -4.400 1.00 0.00 H new ATOM 448 N LEU A 29 4.911 -2.338 -3.004 1.00 0.00 N ATOM 449 CA LEU A 29 4.284 -1.994 -1.756 1.00 0.00 C ATOM 450 C LEU A 29 4.619 -3.072 -0.743 1.00 0.00 C ATOM 451 O LEU A 29 4.615 -4.239 -1.081 1.00 0.00 O ATOM 452 CB LEU A 29 2.760 -1.931 -1.897 1.00 0.00 C ATOM 453 CG LEU A 29 2.143 -0.735 -2.617 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.650 -0.932 -2.749 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.414 0.543 -1.853 1.00 0.00 C ATOM 0 H LEU A 29 5.028 -3.344 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 29 4.648 -1.016 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.438 -2.833 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.333 -1.971 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 29 2.593 -0.658 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.214 -0.076 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.452 -1.838 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.206 -1.024 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.967 1.385 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.981 0.469 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.490 0.697 -1.771 1.00 0.00 H new ATOM 467 N THR A 30 4.958 -2.699 0.450 1.00 0.00 N ATOM 468 CA THR A 30 5.162 -3.662 1.509 1.00 0.00 C ATOM 469 C THR A 30 3.821 -4.079 2.111 1.00 0.00 C ATOM 470 O THR A 30 2.915 -3.258 2.224 1.00 0.00 O ATOM 471 CB THR A 30 6.061 -3.113 2.642 1.00 0.00 C ATOM 472 OG1 THR A 30 5.581 -1.872 3.142 1.00 0.00 O ATOM 473 CG2 THR A 30 7.486 -2.977 2.205 1.00 0.00 C ATOM 0 H THR A 30 5.103 -1.728 0.726 1.00 0.00 H new ATOM 0 HA THR A 30 5.663 -4.518 1.058 1.00 0.00 H new ATOM 0 HB THR A 30 6.021 -3.844 3.449 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.727 -1.171 2.473 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.084 -2.589 3.029 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.870 -3.953 1.907 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.544 -2.291 1.360 1.00 0.00 H new ATOM 481 N TYR A 31 3.700 -5.343 2.509 1.00 0.00 N ATOM 482 CA TYR A 31 2.463 -5.842 3.144 1.00 0.00 C ATOM 483 C TYR A 31 2.111 -5.008 4.383 1.00 0.00 C ATOM 484 O TYR A 31 0.944 -4.690 4.625 1.00 0.00 O ATOM 485 CB TYR A 31 2.599 -7.315 3.556 1.00 0.00 C ATOM 486 CG TYR A 31 2.791 -8.300 2.417 1.00 0.00 C ATOM 487 CD1 TYR A 31 1.707 -8.827 1.743 1.00 0.00 C ATOM 488 CD2 TYR A 31 4.049 -8.721 2.048 1.00 0.00 C ATOM 489 CE1 TYR A 31 1.873 -9.748 0.728 1.00 0.00 C ATOM 490 CE2 TYR A 31 4.232 -9.634 1.033 1.00 0.00 C ATOM 491 CZ TYR A 31 3.139 -10.147 0.377 1.00 0.00 C ATOM 492 OH TYR A 31 3.317 -11.073 -0.628 1.00 0.00 O ATOM 0 H TYR A 31 4.434 -6.044 2.408 1.00 0.00 H new ATOM 0 HA TYR A 31 1.666 -5.753 2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.445 -7.406 4.238 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.707 -7.601 4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.710 -8.513 2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.911 -8.327 2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.013 -10.152 0.214 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.228 -9.945 0.755 1.00 0.00 H new ATOM 0 HH TYR A 31 4.274 -11.243 -0.750 1.00 0.00 H new ATOM 502 N GLU A 32 3.142 -4.611 5.127 1.00 0.00 N ATOM 503 CA GLU A 32 2.961 -3.851 6.354 1.00 0.00 C ATOM 504 C GLU A 32 2.302 -2.491 6.105 1.00 0.00 C ATOM 505 O GLU A 32 1.414 -2.091 6.862 1.00 0.00 O ATOM 506 CB GLU A 32 4.286 -3.680 7.117 1.00 0.00 C ATOM 507 CG GLU A 32 4.134 -2.936 8.447 1.00 0.00 C ATOM 508 CD GLU A 32 5.414 -2.825 9.235 1.00 0.00 C ATOM 509 OE1 GLU A 32 5.669 -3.685 10.102 1.00 0.00 O ATOM 510 OE2 GLU A 32 6.174 -1.864 9.025 1.00 0.00 O ATOM 0 H GLU A 32 4.116 -4.807 4.896 1.00 0.00 H new ATOM 0 HA GLU A 32 2.282 -4.433 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.716 -4.663 7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.992 -3.140 6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.752 -1.934 8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.388 -3.448 9.055 1.00 0.00 H new ATOM 517 N GLU A 33 2.681 -1.806 5.022 1.00 0.00 N ATOM 518 CA GLU A 33 2.153 -0.468 4.772 1.00 0.00 C ATOM 519 C GLU A 33 0.745 -0.575 4.226 1.00 0.00 C ATOM 520 O GLU A 33 -0.094 0.310 4.437 1.00 0.00 O ATOM 521 CB GLU A 33 3.057 0.332 3.817 1.00 0.00 C ATOM 522 CG GLU A 33 3.057 -0.161 2.385 1.00 0.00 C ATOM 523 CD GLU A 33 4.071 0.527 1.533 1.00 0.00 C ATOM 524 OE1 GLU A 33 3.854 1.681 1.142 1.00 0.00 O ATOM 525 OE2 GLU A 33 5.116 -0.095 1.212 1.00 0.00 O ATOM 0 H GLU A 33 3.337 -2.149 4.320 1.00 0.00 H new ATOM 0 HA GLU A 33 2.131 0.077 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.741 1.375 3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.078 0.304 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.250 -1.234 2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.067 -0.011 1.955 1.00 0.00 H new ATOM 532 N ILE A 34 0.483 -1.681 3.558 1.00 0.00 N ATOM 533 CA ILE A 34 -0.815 -1.951 3.022 1.00 0.00 C ATOM 534 C ILE A 34 -1.806 -2.168 4.148 1.00 0.00 C ATOM 535 O ILE A 34 -2.859 -1.528 4.186 1.00 0.00 O ATOM 536 CB ILE A 34 -0.803 -3.157 2.068 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.121 -2.873 0.883 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.208 -3.437 1.584 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.300 -4.042 -0.051 1.00 0.00 C ATOM 0 H ILE A 34 1.172 -2.411 3.377 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.122 -1.084 2.438 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.431 -4.034 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.277 -2.029 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.098 -2.571 1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.196 -4.292 0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.850 -3.657 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.592 -2.563 1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.969 -3.759 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.728 -4.882 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.668 -4.332 -0.461 1.00 0.00 H new ATOM 551 N ALA A 35 -1.432 -3.003 5.134 1.00 0.00 N ATOM 552 CA ALA A 35 -2.254 -3.309 6.281 1.00 0.00 C ATOM 553 C ALA A 35 -2.416 -2.087 7.164 1.00 0.00 C ATOM 554 O ALA A 35 -3.430 -1.912 7.832 1.00 0.00 O ATOM 555 CB ALA A 35 -1.664 -4.473 7.060 1.00 0.00 C ATOM 0 H ALA A 35 -0.532 -3.484 5.141 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.244 -3.602 5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.295 -4.691 7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.611 -5.352 6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.662 -4.212 7.401 1.00 0.00 H new ATOM 561 N GLU A 36 -1.402 -1.228 7.116 1.00 0.00 N ATOM 562 CA GLU A 36 -1.286 -0.047 7.951 1.00 0.00 C ATOM 563 C GLU A 36 -2.451 0.884 7.729 1.00 0.00 C ATOM 564 O GLU A 36 -3.193 1.209 8.650 1.00 0.00 O ATOM 565 CB GLU A 36 0.023 0.666 7.599 1.00 0.00 C ATOM 566 CG GLU A 36 0.277 1.972 8.311 1.00 0.00 C ATOM 567 CD GLU A 36 1.515 2.647 7.795 1.00 0.00 C ATOM 568 OE1 GLU A 36 1.444 3.350 6.766 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.581 2.495 8.396 1.00 0.00 O ATOM 0 H GLU A 36 -0.617 -1.342 6.474 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.288 -0.343 9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.851 -0.009 7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.035 0.852 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.580 2.632 8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.379 1.791 9.381 1.00 0.00 H new ATOM 576 N ARG A 37 -2.653 1.265 6.486 1.00 0.00 N ATOM 577 CA ARG A 37 -3.694 2.199 6.128 1.00 0.00 C ATOM 578 C ARG A 37 -5.068 1.549 6.255 1.00 0.00 C ATOM 579 O ARG A 37 -6.077 2.226 6.440 1.00 0.00 O ATOM 580 CB ARG A 37 -3.446 2.711 4.703 1.00 0.00 C ATOM 581 CG ARG A 37 -2.033 3.236 4.484 1.00 0.00 C ATOM 582 CD ARG A 37 -1.721 4.418 5.401 1.00 0.00 C ATOM 583 NE ARG A 37 -0.307 4.806 5.336 1.00 0.00 N ATOM 584 CZ ARG A 37 0.164 5.991 4.924 1.00 0.00 C ATOM 585 NH1 ARG A 37 -0.671 6.985 4.608 1.00 0.00 N ATOM 586 NH2 ARG A 37 1.475 6.189 4.860 1.00 0.00 N ATOM 0 H ARG A 37 -2.099 0.935 5.696 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.673 3.047 6.813 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.639 1.904 3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.159 3.505 4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.315 2.436 4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.915 3.541 3.444 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.343 5.268 5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.979 4.158 6.428 1.00 0.00 H new ATOM 0 HE ARG A 37 0.379 4.111 5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.679 6.846 4.679 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.300 7.883 4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.117 5.442 5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.840 7.089 4.547 1.00 0.00 H new ATOM 600 N MET A 38 -5.095 0.234 6.210 1.00 0.00 N ATOM 601 CA MET A 38 -6.343 -0.498 6.314 1.00 0.00 C ATOM 602 C MET A 38 -6.743 -0.743 7.758 1.00 0.00 C ATOM 603 O MET A 38 -7.863 -1.182 8.016 1.00 0.00 O ATOM 604 CB MET A 38 -6.278 -1.828 5.578 1.00 0.00 C ATOM 605 CG MET A 38 -6.019 -1.709 4.101 1.00 0.00 C ATOM 606 SD MET A 38 -7.286 -0.767 3.248 1.00 0.00 S ATOM 607 CE MET A 38 -6.718 -0.919 1.560 1.00 0.00 C ATOM 0 H MET A 38 -4.267 -0.352 6.102 1.00 0.00 H new ATOM 0 HA MET A 38 -7.100 0.131 5.846 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.493 -2.438 6.024 1.00 0.00 H new ATOM 0 HB3 MET A 38 -7.218 -2.359 5.728 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.051 -1.234 3.943 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.959 -2.706 3.666 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.950 -0.004 1.014 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.640 -1.083 1.552 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.217 -1.763 1.083 1.00 0.00 H new ATOM 617 N SER A 39 -5.868 -0.415 8.701 1.00 0.00 N ATOM 618 CA SER A 39 -6.120 -0.680 10.118 1.00 0.00 C ATOM 619 C SER A 39 -7.312 0.124 10.661 1.00 0.00 C ATOM 620 O SER A 39 -7.932 -0.259 11.643 1.00 0.00 O ATOM 621 CB SER A 39 -4.855 -0.445 10.926 1.00 0.00 C ATOM 622 OG SER A 39 -3.808 -1.271 10.425 1.00 0.00 O ATOM 0 H SER A 39 -4.973 0.037 8.512 1.00 0.00 H new ATOM 0 HA SER A 39 -6.400 -1.729 10.220 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.564 0.604 10.868 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.036 -0.668 11.977 1.00 0.00 H new ATOM 0 HG SER A 39 -3.946 -1.429 9.468 1.00 0.00 H new ATOM 628 N SER A 40 -7.641 1.214 9.988 1.00 0.00 N ATOM 629 CA SER A 40 -8.799 2.011 10.322 1.00 0.00 C ATOM 630 C SER A 40 -10.074 1.193 10.072 1.00 0.00 C ATOM 631 O SER A 40 -11.034 1.246 10.845 1.00 0.00 O ATOM 632 CB SER A 40 -8.805 3.277 9.456 1.00 0.00 C ATOM 633 OG SER A 40 -9.857 4.164 9.803 1.00 0.00 O ATOM 0 H SER A 40 -7.108 1.568 9.193 1.00 0.00 H new ATOM 0 HA SER A 40 -8.763 2.295 11.374 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.850 3.791 9.562 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.901 2.996 8.407 1.00 0.00 H new ATOM 0 HG SER A 40 -9.821 4.956 9.227 1.00 0.00 H new ATOM 639 N PHE A 41 -10.043 0.404 9.014 1.00 0.00 N ATOM 640 CA PHE A 41 -11.188 -0.389 8.606 1.00 0.00 C ATOM 641 C PHE A 41 -11.137 -1.750 9.270 1.00 0.00 C ATOM 642 O PHE A 41 -12.172 -2.381 9.486 1.00 0.00 O ATOM 643 CB PHE A 41 -11.160 -0.554 7.092 1.00 0.00 C ATOM 644 CG PHE A 41 -10.959 0.741 6.381 1.00 0.00 C ATOM 645 CD1 PHE A 41 -11.902 1.750 6.452 1.00 0.00 C ATOM 646 CD2 PHE A 41 -9.799 0.958 5.671 1.00 0.00 C ATOM 647 CE1 PHE A 41 -11.680 2.954 5.826 1.00 0.00 C ATOM 648 CE2 PHE A 41 -9.575 2.150 5.039 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.513 3.154 5.118 1.00 0.00 C ATOM 0 H PHE A 41 -9.225 0.295 8.414 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.107 0.114 8.906 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.360 -1.243 6.819 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -12.096 -1.005 6.761 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -12.818 1.591 7.002 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -9.056 0.176 5.613 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -12.417 3.741 5.888 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.664 2.303 4.479 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.335 4.099 4.626 1.00 0.00 H new ATOM 659 N GLU A 42 -9.917 -2.163 9.617 1.00 0.00 N ATOM 660 CA GLU A 42 -9.620 -3.448 10.234 1.00 0.00 C ATOM 661 C GLU A 42 -9.865 -4.558 9.228 1.00 0.00 C ATOM 662 O GLU A 42 -10.755 -5.412 9.384 1.00 0.00 O ATOM 663 CB GLU A 42 -10.399 -3.646 11.542 1.00 0.00 C ATOM 664 CG GLU A 42 -10.109 -2.565 12.571 1.00 0.00 C ATOM 665 CD GLU A 42 -11.063 -2.583 13.720 1.00 0.00 C ATOM 666 OE1 GLU A 42 -12.180 -2.044 13.578 1.00 0.00 O ATOM 667 OE2 GLU A 42 -10.730 -3.102 14.784 1.00 0.00 O ATOM 0 H GLU A 42 -9.085 -1.591 9.470 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.568 -3.475 10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.467 -3.657 11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.149 -4.619 11.964 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.094 -2.692 12.947 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.150 -1.589 12.087 1.00 0.00 H new ATOM 674 N ILE A 43 -9.098 -4.492 8.166 1.00 0.00 N ATOM 675 CA ILE A 43 -9.178 -5.420 7.063 1.00 0.00 C ATOM 676 C ILE A 43 -8.295 -6.623 7.365 1.00 0.00 C ATOM 677 O ILE A 43 -7.126 -6.481 7.743 1.00 0.00 O ATOM 678 CB ILE A 43 -8.719 -4.733 5.744 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.582 -3.517 5.426 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.721 -5.686 4.580 1.00 0.00 C ATOM 681 CD1 ILE A 43 -11.018 -3.851 5.112 1.00 0.00 C ATOM 0 H ILE A 43 -8.384 -3.774 8.042 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.210 -5.746 6.935 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.693 -4.403 5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.556 -2.833 6.275 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.148 -2.988 4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.394 -5.163 3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.042 -6.513 4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.729 -6.073 4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.566 -2.934 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -11.057 -4.509 4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.471 -4.352 5.968 1.00 0.00 H new ATOM 693 N GLU A 44 -8.869 -7.774 7.252 1.00 0.00 N ATOM 694 CA GLU A 44 -8.209 -9.033 7.531 1.00 0.00 C ATOM 695 C GLU A 44 -7.340 -9.472 6.386 1.00 0.00 C ATOM 696 O GLU A 44 -7.450 -8.943 5.277 1.00 0.00 O ATOM 697 CB GLU A 44 -9.256 -10.083 7.796 1.00 0.00 C ATOM 698 CG GLU A 44 -10.084 -9.766 9.003 1.00 0.00 C ATOM 699 CD GLU A 44 -9.275 -9.856 10.266 1.00 0.00 C ATOM 700 OE1 GLU A 44 -8.923 -8.802 10.848 1.00 0.00 O ATOM 701 OE2 GLU A 44 -8.941 -10.979 10.685 1.00 0.00 O ATOM 0 H GLU A 44 -9.839 -7.882 6.955 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.568 -8.899 8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.906 -10.173 6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.772 -11.050 7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.500 -8.763 8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.926 -10.456 9.059 1.00 0.00 H new ATOM 708 N SER A 45 -6.516 -10.471 6.643 1.00 0.00 N ATOM 709 CA SER A 45 -5.616 -11.024 5.654 1.00 0.00 C ATOM 710 C SER A 45 -6.418 -11.573 4.463 1.00 0.00 C ATOM 711 O SER A 45 -6.007 -11.438 3.321 1.00 0.00 O ATOM 712 CB SER A 45 -4.744 -12.119 6.297 1.00 0.00 C ATOM 713 OG SER A 45 -3.742 -12.575 5.412 1.00 0.00 O ATOM 0 H SER A 45 -6.454 -10.924 7.555 1.00 0.00 H new ATOM 0 HA SER A 45 -4.956 -10.240 5.281 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.280 -11.729 7.203 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.374 -12.957 6.597 1.00 0.00 H new ATOM 0 HG SER A 45 -3.207 -13.268 5.853 1.00 0.00 H new ATOM 719 N ASP A 46 -7.601 -12.126 4.756 1.00 0.00 N ATOM 720 CA ASP A 46 -8.515 -12.665 3.745 1.00 0.00 C ATOM 721 C ASP A 46 -8.856 -11.597 2.729 1.00 0.00 C ATOM 722 O ASP A 46 -8.751 -11.788 1.520 1.00 0.00 O ATOM 723 CB ASP A 46 -9.803 -13.077 4.416 1.00 0.00 C ATOM 724 CG ASP A 46 -10.768 -13.780 3.481 1.00 0.00 C ATOM 725 OD1 ASP A 46 -10.832 -15.029 3.501 1.00 0.00 O ATOM 726 OD2 ASP A 46 -11.474 -13.108 2.703 1.00 0.00 O ATOM 0 H ASP A 46 -7.953 -12.212 5.710 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.034 -13.512 3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.574 -13.736 5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.288 -12.193 4.830 1.00 0.00 H new ATOM 731 N GLN A 47 -9.224 -10.465 3.251 1.00 0.00 N ATOM 732 CA GLN A 47 -9.640 -9.339 2.471 1.00 0.00 C ATOM 733 C GLN A 47 -8.431 -8.713 1.775 1.00 0.00 C ATOM 734 O GLN A 47 -8.497 -8.324 0.606 1.00 0.00 O ATOM 735 CB GLN A 47 -10.271 -8.335 3.395 1.00 0.00 C ATOM 736 CG GLN A 47 -11.367 -8.894 4.265 1.00 0.00 C ATOM 737 CD GLN A 47 -11.938 -7.852 5.174 1.00 0.00 C ATOM 738 OE1 GLN A 47 -11.479 -7.679 6.298 1.00 0.00 O ATOM 739 NE2 GLN A 47 -12.891 -7.125 4.693 1.00 0.00 N ATOM 0 H GLN A 47 -9.243 -10.295 4.257 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.355 -9.653 1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.497 -7.911 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.677 -7.517 2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.159 -9.302 3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.975 -9.720 4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.243 -7.303 3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.291 -6.373 5.254 1.00 0.00 H new ATOM 748 N MET A 48 -7.316 -8.650 2.505 1.00 0.00 N ATOM 749 CA MET A 48 -6.071 -8.087 1.985 1.00 0.00 C ATOM 750 C MET A 48 -5.555 -8.889 0.807 1.00 0.00 C ATOM 751 O MET A 48 -5.054 -8.325 -0.143 1.00 0.00 O ATOM 752 CB MET A 48 -4.974 -7.989 3.066 1.00 0.00 C ATOM 753 CG MET A 48 -5.171 -6.926 4.152 1.00 0.00 C ATOM 754 SD MET A 48 -4.695 -5.220 3.687 1.00 0.00 S ATOM 755 CE MET A 48 -5.722 -4.851 2.267 1.00 0.00 C ATOM 0 H MET A 48 -7.251 -8.985 3.466 1.00 0.00 H new ATOM 0 HA MET A 48 -6.308 -7.076 1.654 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.888 -8.961 3.553 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.023 -7.796 2.569 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.221 -6.924 4.446 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.595 -7.218 5.030 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.738 -3.774 2.100 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.317 -5.349 1.386 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.737 -5.205 2.450 1.00 0.00 H new ATOM 765 N ASP A 49 -5.699 -10.200 0.889 1.00 0.00 N ATOM 766 CA ASP A 49 -5.277 -11.156 -0.161 1.00 0.00 C ATOM 767 C ASP A 49 -5.835 -10.772 -1.515 1.00 0.00 C ATOM 768 O ASP A 49 -5.096 -10.690 -2.506 1.00 0.00 O ATOM 769 CB ASP A 49 -5.744 -12.566 0.210 1.00 0.00 C ATOM 770 CG ASP A 49 -5.438 -13.611 -0.839 1.00 0.00 C ATOM 771 OD1 ASP A 49 -6.266 -13.824 -1.750 1.00 0.00 O ATOM 772 OD2 ASP A 49 -4.386 -14.275 -0.739 1.00 0.00 O ATOM 0 H ASP A 49 -6.120 -10.656 1.699 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.189 -11.131 -0.225 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.272 -12.859 1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.819 -12.547 0.386 1.00 0.00 H new ATOM 777 N GLU A 50 -7.121 -10.486 -1.549 1.00 0.00 N ATOM 778 CA GLU A 50 -7.773 -10.111 -2.782 1.00 0.00 C ATOM 779 C GLU A 50 -7.267 -8.767 -3.277 1.00 0.00 C ATOM 780 O GLU A 50 -7.128 -8.553 -4.485 1.00 0.00 O ATOM 781 CB GLU A 50 -9.284 -10.123 -2.625 1.00 0.00 C ATOM 782 CG GLU A 50 -9.827 -11.505 -2.324 1.00 0.00 C ATOM 783 CD GLU A 50 -11.312 -11.522 -2.142 1.00 0.00 C ATOM 784 OE1 GLU A 50 -11.782 -11.413 -0.991 1.00 0.00 O ATOM 785 OE2 GLU A 50 -12.043 -11.651 -3.128 1.00 0.00 O ATOM 0 H GLU A 50 -7.734 -10.507 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.521 -10.852 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.568 -9.442 -1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.744 -9.747 -3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.558 -12.180 -3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.351 -11.888 -1.421 1.00 0.00 H new ATOM 792 N TYR A 51 -6.938 -7.887 -2.345 1.00 0.00 N ATOM 793 CA TYR A 51 -6.372 -6.602 -2.692 1.00 0.00 C ATOM 794 C TYR A 51 -4.946 -6.795 -3.220 1.00 0.00 C ATOM 795 O TYR A 51 -4.537 -6.104 -4.142 1.00 0.00 O ATOM 796 CB TYR A 51 -6.439 -5.633 -1.523 1.00 0.00 C ATOM 797 CG TYR A 51 -5.912 -4.262 -1.844 1.00 0.00 C ATOM 798 CD1 TYR A 51 -6.346 -3.558 -2.972 1.00 0.00 C ATOM 799 CD2 TYR A 51 -4.986 -3.657 -1.017 1.00 0.00 C ATOM 800 CE1 TYR A 51 -5.858 -2.311 -3.244 1.00 0.00 C ATOM 801 CE2 TYR A 51 -4.503 -2.409 -1.293 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.941 -1.746 -2.403 1.00 0.00 C ATOM 803 OH TYR A 51 -4.451 -0.520 -2.680 1.00 0.00 O ATOM 0 H TYR A 51 -7.055 -8.043 -1.344 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.965 -6.151 -3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.474 -5.547 -1.193 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.872 -6.045 -0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.073 -4.004 -3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.638 -4.179 -0.138 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.195 -1.775 -4.119 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.779 -1.950 -0.637 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.714 -0.260 -3.588 1.00 0.00 H new ATOM 813 N TYR A 52 -4.193 -7.735 -2.648 1.00 0.00 N ATOM 814 CA TYR A 52 -2.816 -8.017 -3.087 1.00 0.00 C ATOM 815 C TYR A 52 -2.825 -8.463 -4.515 1.00 0.00 C ATOM 816 O TYR A 52 -2.047 -7.996 -5.345 1.00 0.00 O ATOM 817 CB TYR A 52 -2.135 -9.098 -2.229 1.00 0.00 C ATOM 818 CG TYR A 52 -1.944 -8.735 -0.780 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.637 -7.439 -0.403 1.00 0.00 C ATOM 820 CD2 TYR A 52 -2.062 -9.694 0.211 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.461 -7.111 0.912 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.888 -9.371 1.536 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.589 -8.078 1.881 1.00 0.00 C ATOM 824 OH TYR A 52 -1.414 -7.750 3.198 1.00 0.00 O ATOM 0 H TYR A 52 -4.511 -8.320 -1.875 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.247 -7.094 -2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.728 -10.011 -2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.161 -9.324 -2.663 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.535 -6.675 -1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.295 -10.713 -0.061 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.222 -6.095 1.189 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.986 -10.129 2.299 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.540 -8.548 3.753 1.00 0.00 H new ATOM 834 N GLU A 53 -3.768 -9.328 -4.793 1.00 0.00 N ATOM 835 CA GLU A 53 -3.996 -9.874 -6.097 1.00 0.00 C ATOM 836 C GLU A 53 -4.382 -8.752 -7.063 1.00 0.00 C ATOM 837 O GLU A 53 -3.876 -8.692 -8.188 1.00 0.00 O ATOM 838 CB GLU A 53 -5.114 -10.883 -5.958 1.00 0.00 C ATOM 839 CG GLU A 53 -5.501 -11.624 -7.202 1.00 0.00 C ATOM 840 CD GLU A 53 -6.637 -12.540 -6.902 1.00 0.00 C ATOM 841 OE1 GLU A 53 -7.803 -12.112 -7.031 1.00 0.00 O ATOM 842 OE2 GLU A 53 -6.396 -13.684 -6.474 1.00 0.00 O ATOM 0 H GLU A 53 -4.418 -9.680 -4.090 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.102 -10.354 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.824 -11.613 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.996 -10.366 -5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.785 -10.920 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.651 -12.193 -7.578 1.00 0.00 H new ATOM 849 N PHE A 54 -5.244 -7.850 -6.592 1.00 0.00 N ATOM 850 CA PHE A 54 -5.662 -6.689 -7.347 1.00 0.00 C ATOM 851 C PHE A 54 -4.452 -5.819 -7.705 1.00 0.00 C ATOM 852 O PHE A 54 -4.259 -5.456 -8.867 1.00 0.00 O ATOM 853 CB PHE A 54 -6.706 -5.888 -6.544 1.00 0.00 C ATOM 854 CG PHE A 54 -6.944 -4.505 -7.062 1.00 0.00 C ATOM 855 CD1 PHE A 54 -7.784 -4.269 -8.131 1.00 0.00 C ATOM 856 CD2 PHE A 54 -6.296 -3.442 -6.475 1.00 0.00 C ATOM 857 CE1 PHE A 54 -7.961 -2.984 -8.603 1.00 0.00 C ATOM 858 CE2 PHE A 54 -6.470 -2.167 -6.934 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.296 -1.933 -7.994 1.00 0.00 C ATOM 0 H PHE A 54 -5.670 -7.914 -5.667 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.124 -7.017 -8.278 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.649 -6.434 -6.549 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.380 -5.825 -5.506 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.304 -5.091 -8.599 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.638 -3.619 -5.637 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.615 -2.799 -9.443 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.954 -1.346 -6.458 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.432 -0.926 -8.359 1.00 0.00 H new ATOM 869 N LEU A 55 -3.653 -5.504 -6.701 1.00 0.00 N ATOM 870 CA LEU A 55 -2.445 -4.705 -6.862 1.00 0.00 C ATOM 871 C LEU A 55 -1.492 -5.331 -7.871 1.00 0.00 C ATOM 872 O LEU A 55 -0.926 -4.645 -8.732 1.00 0.00 O ATOM 873 CB LEU A 55 -1.753 -4.524 -5.517 1.00 0.00 C ATOM 874 CG LEU A 55 -2.483 -3.652 -4.509 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.805 -3.740 -3.159 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.509 -2.204 -4.988 1.00 0.00 C ATOM 0 H LEU A 55 -3.824 -5.798 -5.739 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.737 -3.728 -7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.599 -5.508 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.766 -4.096 -5.692 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.508 -4.009 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.336 -3.112 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.817 -4.773 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.774 -3.398 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.035 -1.589 -4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.488 -1.840 -5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.023 -2.147 -5.947 1.00 0.00 H new ATOM 888 N GLY A 56 -1.350 -6.646 -7.747 1.00 0.00 N ATOM 889 CA GLY A 56 -0.514 -7.411 -8.656 1.00 0.00 C ATOM 890 C GLY A 56 -0.983 -7.280 -10.089 1.00 0.00 C ATOM 891 O GLY A 56 -0.162 -7.168 -11.003 1.00 0.00 O ATOM 0 H GLY A 56 -1.805 -7.202 -7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.518 -7.068 -8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.524 -8.461 -8.364 1.00 0.00 H new ATOM 895 N GLU A 57 -2.301 -7.278 -10.280 1.00 0.00 N ATOM 896 CA GLU A 57 -2.896 -7.117 -11.581 1.00 0.00 C ATOM 897 C GLU A 57 -2.593 -5.741 -12.172 1.00 0.00 C ATOM 898 O GLU A 57 -2.420 -5.596 -13.381 1.00 0.00 O ATOM 899 CB GLU A 57 -4.399 -7.321 -11.487 1.00 0.00 C ATOM 900 CG GLU A 57 -4.826 -8.737 -11.142 1.00 0.00 C ATOM 901 CD GLU A 57 -4.397 -9.736 -12.181 1.00 0.00 C ATOM 902 OE1 GLU A 57 -5.128 -9.924 -13.173 1.00 0.00 O ATOM 903 OE2 GLU A 57 -3.327 -10.358 -12.024 1.00 0.00 O ATOM 0 H GLU A 57 -2.979 -7.389 -9.526 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.464 -7.867 -12.244 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.798 -6.642 -10.734 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.850 -7.042 -12.439 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.402 -9.016 -10.177 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.910 -8.771 -11.036 1.00 0.00 H new ATOM 910 N GLN A 58 -2.514 -4.729 -11.305 1.00 0.00 N ATOM 911 CA GLN A 58 -2.264 -3.367 -11.743 1.00 0.00 C ATOM 912 C GLN A 58 -0.785 -3.227 -12.068 1.00 0.00 C ATOM 913 O GLN A 58 -0.417 -2.674 -13.092 1.00 0.00 O ATOM 914 CB GLN A 58 -2.650 -2.370 -10.633 1.00 0.00 C ATOM 915 CG GLN A 58 -4.060 -2.542 -10.075 1.00 0.00 C ATOM 916 CD GLN A 58 -5.145 -2.362 -11.113 1.00 0.00 C ATOM 917 OE1 GLN A 58 -5.640 -1.256 -11.325 1.00 0.00 O ATOM 918 NE2 GLN A 58 -5.534 -3.433 -11.749 1.00 0.00 N ATOM 0 H GLN A 58 -2.621 -4.834 -10.296 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.865 -3.150 -12.626 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.937 -2.467 -9.814 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.551 -1.357 -11.024 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.150 -3.535 -9.636 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.214 -1.823 -9.271 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.099 -4.333 -11.546 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.273 -3.370 -12.450 1.00 0.00 H new ATOM 927 N GLY A 59 0.044 -3.712 -11.195 1.00 0.00 N ATOM 928 CA GLY A 59 1.469 -3.685 -11.439 1.00 0.00 C ATOM 929 C GLY A 59 2.234 -3.297 -10.210 1.00 0.00 C ATOM 930 O GLY A 59 3.070 -2.389 -10.237 1.00 0.00 O ATOM 0 H GLY A 59 -0.232 -4.132 -10.307 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.799 -4.667 -11.778 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.688 -2.980 -12.241 1.00 0.00 H new ATOM 934 N VAL A 60 1.933 -3.957 -9.118 1.00 0.00 N ATOM 935 CA VAL A 60 2.581 -3.689 -7.862 1.00 0.00 C ATOM 936 C VAL A 60 3.019 -4.995 -7.250 1.00 0.00 C ATOM 937 O VAL A 60 2.221 -5.923 -7.122 1.00 0.00 O ATOM 938 CB VAL A 60 1.627 -3.002 -6.852 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.386 -2.600 -5.618 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.901 -1.806 -7.465 1.00 0.00 C ATOM 0 H VAL A 60 1.231 -4.696 -9.078 1.00 0.00 H new ATOM 0 HA VAL A 60 3.423 -3.027 -8.062 1.00 0.00 H new ATOM 0 HB VAL A 60 0.859 -3.725 -6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.707 -2.118 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.821 -3.485 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.180 -1.905 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.244 -1.358 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.631 -1.068 -7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.309 -2.138 -8.318 1.00 0.00 H new ATOM 950 N GLU A 61 4.264 -5.075 -6.899 1.00 0.00 N ATOM 951 CA GLU A 61 4.788 -6.225 -6.221 1.00 0.00 C ATOM 952 C GLU A 61 4.717 -5.990 -4.738 1.00 0.00 C ATOM 953 O GLU A 61 5.092 -4.923 -4.258 1.00 0.00 O ATOM 954 CB GLU A 61 6.211 -6.474 -6.670 1.00 0.00 C ATOM 955 CG GLU A 61 6.277 -6.911 -8.110 1.00 0.00 C ATOM 956 CD GLU A 61 7.679 -7.034 -8.629 1.00 0.00 C ATOM 957 OE1 GLU A 61 8.412 -7.958 -8.228 1.00 0.00 O ATOM 958 OE2 GLU A 61 8.071 -6.217 -9.476 1.00 0.00 O ATOM 0 H GLU A 61 4.951 -4.342 -7.074 1.00 0.00 H new ATOM 0 HA GLU A 61 4.199 -7.110 -6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.797 -5.564 -6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.663 -7.238 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.773 -7.872 -8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.731 -6.196 -8.725 1.00 0.00 H new ATOM 965 N LEU A 62 4.182 -6.927 -4.014 1.00 0.00 N ATOM 966 CA LEU A 62 4.074 -6.754 -2.602 1.00 0.00 C ATOM 967 C LEU A 62 5.283 -7.354 -1.904 1.00 0.00 C ATOM 968 O LEU A 62 5.475 -8.569 -1.895 1.00 0.00 O ATOM 969 CB LEU A 62 2.766 -7.344 -2.038 1.00 0.00 C ATOM 970 CG LEU A 62 1.441 -6.957 -2.739 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.413 -5.526 -3.245 1.00 0.00 C ATOM 972 CD2 LEU A 62 1.023 -7.968 -3.789 1.00 0.00 C ATOM 0 H LEU A 62 3.818 -7.809 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 62 4.047 -5.682 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.852 -8.430 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.690 -7.050 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 62 0.678 -6.992 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.454 -5.328 -3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.549 -4.841 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.216 -5.380 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.088 -7.649 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.797 -8.041 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.882 -8.942 -3.321 1.00 0.00 H new ATOM 984 N ILE A 63 6.125 -6.504 -1.375 1.00 0.00 N ATOM 985 CA ILE A 63 7.293 -6.963 -0.663 1.00 0.00 C ATOM 986 C ILE A 63 7.043 -7.123 0.832 1.00 0.00 C ATOM 987 O ILE A 63 6.124 -6.529 1.404 1.00 0.00 O ATOM 988 CB ILE A 63 8.539 -6.112 -0.910 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.286 -4.663 -0.580 1.00 0.00 C ATOM 990 CG2 ILE A 63 8.986 -6.259 -2.333 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.507 -3.762 -0.704 1.00 0.00 C ATOM 0 H ILE A 63 6.025 -5.490 -1.423 1.00 0.00 H new ATOM 0 HA ILE A 63 7.496 -7.949 -1.080 1.00 0.00 H new ATOM 0 HB ILE A 63 9.332 -6.467 -0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.504 -4.285 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.904 -4.597 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.874 -5.649 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.220 -7.304 -2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.189 -5.930 -3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.232 -2.739 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.286 -4.109 -0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.879 -3.792 -1.728 1.00 0.00 H new