USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 683 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 15 HIS : no HD1:sc= -0.0263 X(o=-0.026,f=-0.12) USER MOD Single : A 26 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.022) USER MOD Single : A 29 SER OG : rot -160:sc= -0.518 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00868 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -106:sc= 0.236 USER MOD Single : A 38 SER OG : rot 120:sc= -0.662 USER MOD Single : A 41 ASN : amide:sc= -0.0121 K(o=-0.012,f=-0.68) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.389 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.065 USER MOD Single : A 55 HIS : no HD1:sc= -0.0381 X(o=-0.038,f=-0.038) USER MOD Single : A 57 ASN : amide:sc= -1.85 X(o=-1.8,f=-2.1) USER MOD Single : A 60 ASN : amide:sc= -0.622 K(o=-0.62,f=-2.7!) USER MOD Single : A 65 GLN : amide:sc= -0.916 X(o=-0.92,f=-0.6) USER MOD Single : A 69 TYR OH : rot -172:sc= 0.0957 USER MOD Single : A 70 HIS : no HD1:sc= -2.66 X(o=-2.7,f=-2.4!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.7) USER MOD Single : A 80 LYS NZ :NH3+ -132:sc= -0.178 (180deg=-2.77!) USER MOD Single : A 82 SER OG : rot -104:sc= 1.12 USER MOD Single : A 84 THR OG1 : rot -23:sc= 0.644 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.636 K(o=-0.64,f=-5!) USER MOD Single : A 95 SER OG : rot 46:sc= 0.00741 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -128:sc= -0.578 (180deg=-1.19!) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -14.972 -7.303 10.111 1.00 0.00 N ATOM 174 CA VAL A 14 -15.260 -6.083 9.367 1.00 0.00 C ATOM 175 C VAL A 14 -16.292 -6.335 8.274 1.00 0.00 C ATOM 176 O VAL A 14 -16.282 -7.382 7.626 1.00 0.00 O ATOM 177 CB VAL A 14 -13.985 -5.500 8.729 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.326 -4.309 7.847 1.00 0.00 C ATOM 179 CG2 VAL A 14 -12.983 -5.108 9.805 1.00 0.00 C ATOM 0 HA VAL A 14 -15.661 -5.365 10.082 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.529 -6.267 8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.413 -3.910 7.405 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.005 -4.625 7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.805 -3.536 8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.088 -4.698 9.337 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.427 -4.357 10.459 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.715 -5.987 10.391 1.00 0.00 H new ATOM 189 N HIS A 15 -17.183 -5.369 8.073 1.00 0.00 N ATOM 190 CA HIS A 15 -18.222 -5.486 7.057 1.00 0.00 C ATOM 191 C HIS A 15 -18.333 -4.200 6.243 1.00 0.00 C ATOM 192 O HIS A 15 -18.808 -3.179 6.740 1.00 0.00 O ATOM 193 CB HIS A 15 -19.567 -5.809 7.708 1.00 0.00 C ATOM 194 CG HIS A 15 -19.703 -7.242 8.124 1.00 0.00 C ATOM 195 ND1 HIS A 15 -19.443 -8.299 7.277 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.071 -7.789 9.305 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.648 -9.435 7.920 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.029 -9.153 9.153 1.00 0.00 N ATOM 0 H HIS A 15 -17.206 -4.496 8.601 1.00 0.00 H new ATOM 0 HA HIS A 15 -17.948 -6.299 6.384 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.701 -5.171 8.582 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.367 -5.565 7.010 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -20.347 -7.253 10.201 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.525 -10.426 7.508 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.255 -9.837 9.875 1.00 0.00 H new ATOM 206 N ILE A 16 -17.892 -4.258 4.991 1.00 0.00 N ATOM 207 CA ILE A 16 -17.942 -3.099 4.109 1.00 0.00 C ATOM 208 C ILE A 16 -19.368 -2.576 3.969 1.00 0.00 C ATOM 209 O ILE A 16 -20.171 -3.128 3.216 1.00 0.00 O ATOM 210 CB ILE A 16 -17.390 -3.431 2.711 1.00 0.00 C ATOM 211 CG1 ILE A 16 -15.947 -3.929 2.813 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.471 -2.210 1.806 1.00 0.00 C ATOM 213 CD1 ILE A 16 -14.985 -2.889 3.345 1.00 0.00 C ATOM 0 H ILE A 16 -17.496 -5.096 4.565 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.318 -2.330 4.564 1.00 0.00 H new ATOM 0 HB ILE A 16 -17.998 -4.224 2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.918 -4.804 3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.612 -4.252 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.077 -2.460 0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.510 -1.895 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.884 -1.399 2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.981 -3.311 3.390 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -14.984 -2.022 2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.296 -2.583 4.344 1.00 0.00 H new ATOM 225 N ILE A 17 -19.675 -1.509 4.699 1.00 0.00 N ATOM 226 CA ILE A 17 -21.003 -0.910 4.653 1.00 0.00 C ATOM 227 C ILE A 17 -21.212 -0.133 3.358 1.00 0.00 C ATOM 228 O ILE A 17 -22.091 -0.461 2.562 1.00 0.00 O ATOM 229 CB ILE A 17 -21.236 0.034 5.848 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.800 -0.639 7.151 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.699 0.444 5.922 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.002 0.225 8.375 1.00 0.00 C ATOM 0 H ILE A 17 -19.023 -1.042 5.329 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.720 -1.729 4.702 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.634 0.931 5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.358 -1.567 7.275 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.746 -0.908 7.076 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.847 1.111 6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -22.980 0.959 5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.320 -0.443 6.045 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.671 -0.317 9.261 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.422 1.142 8.273 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.059 0.473 8.475 1.00 0.00 H new ATOM 244 N GLU A 18 -20.397 0.897 3.154 1.00 0.00 N ATOM 245 CA GLU A 18 -20.493 1.720 1.954 1.00 0.00 C ATOM 246 C GLU A 18 -19.156 1.769 1.220 1.00 0.00 C ATOM 247 O GLU A 18 -18.371 2.701 1.399 1.00 0.00 O ATOM 248 CB GLU A 18 -20.941 3.137 2.315 1.00 0.00 C ATOM 249 CG GLU A 18 -22.221 3.181 3.133 1.00 0.00 C ATOM 250 CD GLU A 18 -22.957 4.500 2.995 1.00 0.00 C ATOM 251 OE1 GLU A 18 -22.444 5.393 2.289 1.00 0.00 O ATOM 252 OE2 GLU A 18 -24.044 4.639 3.593 1.00 0.00 O ATOM 0 H GLU A 18 -19.664 1.181 3.803 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.234 1.270 1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.145 3.629 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.086 3.708 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.877 2.369 2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.983 3.010 4.183 1.00 0.00 H new ATOM 259 N ASP A 19 -18.904 0.760 0.394 1.00 0.00 N ATOM 260 CA ASP A 19 -17.662 0.687 -0.368 1.00 0.00 C ATOM 261 C ASP A 19 -17.446 1.962 -1.177 1.00 0.00 C ATOM 262 O ASP A 19 -18.400 2.660 -1.523 1.00 0.00 O ATOM 263 CB ASP A 19 -17.681 -0.526 -1.299 1.00 0.00 C ATOM 264 CG ASP A 19 -16.466 -0.580 -2.205 1.00 0.00 C ATOM 265 OD1 ASP A 19 -16.449 0.151 -3.217 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.533 -1.351 -1.901 1.00 0.00 O ATOM 0 H ASP A 19 -19.543 -0.019 0.235 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.837 0.581 0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.727 -1.437 -0.703 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.584 -0.498 -1.909 1.00 0.00 H new ATOM 271 N LEU A 20 -16.187 2.260 -1.476 1.00 0.00 N ATOM 272 CA LEU A 20 -15.844 3.452 -2.245 1.00 0.00 C ATOM 273 C LEU A 20 -16.613 3.490 -3.561 1.00 0.00 C ATOM 274 O LEU A 20 -17.335 2.552 -3.897 1.00 0.00 O ATOM 275 CB LEU A 20 -14.340 3.491 -2.518 1.00 0.00 C ATOM 276 CG LEU A 20 -13.431 3.326 -1.299 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.212 2.488 -1.652 1.00 0.00 C ATOM 278 CD2 LEU A 20 -13.009 4.685 -0.761 1.00 0.00 C ATOM 0 H LEU A 20 -15.386 1.693 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.123 4.327 -1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.101 2.704 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.103 4.441 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.990 2.807 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.577 2.381 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.533 1.503 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.651 2.979 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.363 4.548 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.468 5.231 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.893 5.251 -0.469 1.00 0.00 H new ATOM 290 N GLU A 21 -16.452 4.581 -4.303 1.00 0.00 N ATOM 291 CA GLU A 21 -17.130 4.740 -5.584 1.00 0.00 C ATOM 292 C GLU A 21 -16.122 4.931 -6.714 1.00 0.00 C ATOM 293 O GLU A 21 -15.862 4.010 -7.490 1.00 0.00 O ATOM 294 CB GLU A 21 -18.088 5.933 -5.535 1.00 0.00 C ATOM 295 CG GLU A 21 -17.715 6.970 -4.489 1.00 0.00 C ATOM 296 CD GLU A 21 -18.242 8.352 -4.824 1.00 0.00 C ATOM 297 OE1 GLU A 21 -19.361 8.443 -5.371 1.00 0.00 O ATOM 298 OE2 GLU A 21 -17.535 9.341 -4.541 1.00 0.00 O ATOM 0 H GLU A 21 -15.858 5.367 -4.039 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.700 3.832 -5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.112 6.410 -6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.096 5.571 -5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.107 6.661 -3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.630 7.012 -4.395 1.00 0.00 H new ATOM 305 N ASP A 22 -15.559 6.131 -6.801 1.00 0.00 N ATOM 306 CA ASP A 22 -14.579 6.443 -7.835 1.00 0.00 C ATOM 307 C ASP A 22 -14.111 7.890 -7.720 1.00 0.00 C ATOM 308 O ASP A 22 -14.763 8.716 -7.082 1.00 0.00 O ATOM 309 CB ASP A 22 -15.174 6.194 -9.222 1.00 0.00 C ATOM 310 CG ASP A 22 -16.593 6.712 -9.345 1.00 0.00 C ATOM 311 OD1 ASP A 22 -16.887 7.781 -8.769 1.00 0.00 O ATOM 312 OD2 ASP A 22 -17.410 6.050 -10.018 1.00 0.00 O ATOM 0 H ASP A 22 -15.764 6.904 -6.168 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.718 5.790 -7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.548 6.675 -9.974 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.161 5.125 -9.433 1.00 0.00 H new ATOM 317 N VAL A 23 -12.974 8.190 -8.342 1.00 0.00 N ATOM 318 CA VAL A 23 -12.418 9.537 -8.310 1.00 0.00 C ATOM 319 C VAL A 23 -11.629 9.836 -9.580 1.00 0.00 C ATOM 320 O VAL A 23 -10.972 8.956 -10.136 1.00 0.00 O ATOM 321 CB VAL A 23 -11.500 9.736 -7.089 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.903 11.135 -7.092 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.264 9.476 -5.800 1.00 0.00 C ATOM 0 H VAL A 23 -12.421 7.518 -8.874 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.260 10.226 -8.238 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.682 9.018 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.258 11.257 -6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.319 11.279 -8.001 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.705 11.873 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.600 9.621 -4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.103 10.168 -5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.637 8.452 -5.799 1.00 0.00 H new ATOM 333 N ASP A 24 -11.698 11.083 -10.032 1.00 0.00 N ATOM 334 CA ASP A 24 -10.989 11.499 -11.236 1.00 0.00 C ATOM 335 C ASP A 24 -10.670 12.990 -11.191 1.00 0.00 C ATOM 336 O ASP A 24 -11.549 13.830 -11.382 1.00 0.00 O ATOM 337 CB ASP A 24 -11.821 11.181 -12.480 1.00 0.00 C ATOM 338 CG ASP A 24 -13.203 11.802 -12.426 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.014 11.372 -11.579 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.473 12.717 -13.231 1.00 0.00 O ATOM 0 H ASP A 24 -12.237 11.823 -9.583 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.051 10.946 -11.284 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.298 11.542 -13.366 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.915 10.100 -12.584 1.00 0.00 H new ATOM 345 N VAL A 25 -9.406 13.312 -10.935 1.00 0.00 N ATOM 346 CA VAL A 25 -8.970 14.702 -10.864 1.00 0.00 C ATOM 347 C VAL A 25 -7.528 14.850 -11.334 1.00 0.00 C ATOM 348 O VAL A 25 -6.772 13.879 -11.364 1.00 0.00 O ATOM 349 CB VAL A 25 -9.091 15.255 -9.432 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.500 15.051 -8.897 1.00 0.00 C ATOM 351 CG2 VAL A 25 -8.066 14.599 -8.519 1.00 0.00 C ATOM 0 H VAL A 25 -8.666 12.629 -10.773 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.624 15.273 -11.523 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.889 16.326 -9.457 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.566 15.448 -7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.211 15.572 -9.538 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.734 13.987 -8.885 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.166 15.002 -7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.234 13.522 -8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.063 14.802 -8.893 1.00 0.00 H new ATOM 361 N GLN A 26 -7.153 16.072 -11.700 1.00 0.00 N ATOM 362 CA GLN A 26 -5.800 16.347 -12.169 1.00 0.00 C ATOM 363 C GLN A 26 -4.771 16.000 -11.098 1.00 0.00 C ATOM 364 O GLN A 26 -4.953 16.319 -9.924 1.00 0.00 O ATOM 365 CB GLN A 26 -5.664 17.818 -12.566 1.00 0.00 C ATOM 366 CG GLN A 26 -5.625 18.767 -11.379 1.00 0.00 C ATOM 367 CD GLN A 26 -6.347 20.072 -11.650 1.00 0.00 C ATOM 368 OE1 GLN A 26 -5.775 21.153 -11.507 1.00 0.00 O ATOM 369 NE2 GLN A 26 -7.611 19.978 -12.045 1.00 0.00 N ATOM 0 H GLN A 26 -7.767 16.886 -11.681 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.612 15.723 -13.043 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.754 17.945 -13.152 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.499 18.090 -13.211 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.076 18.280 -10.514 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.587 18.977 -11.121 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.046 19.061 -12.150 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.148 20.823 -12.243 1.00 0.00 H new ATOM 378 N GLU A 27 -3.691 15.344 -11.512 1.00 0.00 N ATOM 379 CA GLU A 27 -2.635 14.953 -10.587 1.00 0.00 C ATOM 380 C GLU A 27 -2.170 16.146 -9.756 1.00 0.00 C ATOM 381 O GLU A 27 -2.210 17.287 -10.212 1.00 0.00 O ATOM 382 CB GLU A 27 -1.450 14.359 -11.352 1.00 0.00 C ATOM 383 CG GLU A 27 -0.541 15.405 -11.974 1.00 0.00 C ATOM 384 CD GLU A 27 0.770 15.557 -11.228 1.00 0.00 C ATOM 385 OE1 GLU A 27 0.787 16.262 -10.197 1.00 0.00 O ATOM 386 OE2 GLU A 27 1.779 14.971 -11.674 1.00 0.00 O ATOM 0 H GLU A 27 -3.525 15.073 -12.481 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.039 14.198 -9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.865 13.739 -10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.827 13.704 -12.138 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.336 15.133 -13.009 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.057 16.365 -11.993 1.00 0.00 H new ATOM 393 N GLY A 28 -1.731 15.871 -8.531 1.00 0.00 N ATOM 394 CA GLY A 28 -1.266 16.930 -7.655 1.00 0.00 C ATOM 395 C GLY A 28 -2.370 17.479 -6.773 1.00 0.00 C ATOM 396 O GLY A 28 -2.102 18.167 -5.788 1.00 0.00 O ATOM 0 H GLY A 28 -1.689 14.934 -8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.459 16.551 -7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.850 17.738 -8.256 1.00 0.00 H new ATOM 400 N SER A 29 -3.614 17.175 -7.127 1.00 0.00 N ATOM 401 CA SER A 29 -4.763 17.647 -6.363 1.00 0.00 C ATOM 402 C SER A 29 -5.044 16.727 -5.179 1.00 0.00 C ATOM 403 O SER A 29 -4.289 15.792 -4.913 1.00 0.00 O ATOM 404 CB SER A 29 -5.999 17.733 -7.261 1.00 0.00 C ATOM 405 OG SER A 29 -5.847 18.745 -8.242 1.00 0.00 O ATOM 0 H SER A 29 -3.852 16.604 -7.938 1.00 0.00 H new ATOM 0 HA SER A 29 -4.530 18.641 -5.981 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.166 16.772 -7.748 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.880 17.940 -6.654 1.00 0.00 H new ATOM 0 HG SER A 29 -6.728 19.001 -8.587 1.00 0.00 H new ATOM 411 N SER A 30 -6.136 17.000 -4.472 1.00 0.00 N ATOM 412 CA SER A 30 -6.516 16.199 -3.314 1.00 0.00 C ATOM 413 C SER A 30 -7.736 15.338 -3.626 1.00 0.00 C ATOM 414 O SER A 30 -8.868 15.822 -3.626 1.00 0.00 O ATOM 415 CB SER A 30 -6.809 17.105 -2.116 1.00 0.00 C ATOM 416 OG SER A 30 -7.103 18.426 -2.535 1.00 0.00 O ATOM 0 H SER A 30 -6.773 17.769 -4.681 1.00 0.00 H new ATOM 0 HA SER A 30 -5.683 15.541 -3.068 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.650 16.704 -1.550 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.950 17.116 -1.445 1.00 0.00 H new ATOM 0 HG SER A 30 -7.288 18.984 -1.751 1.00 0.00 H new ATOM 422 N ALA A 31 -7.497 14.058 -3.891 1.00 0.00 N ATOM 423 CA ALA A 31 -8.575 13.127 -4.202 1.00 0.00 C ATOM 424 C ALA A 31 -9.178 12.541 -2.930 1.00 0.00 C ATOM 425 O ALA A 31 -8.501 11.844 -2.173 1.00 0.00 O ATOM 426 CB ALA A 31 -8.067 12.016 -5.109 1.00 0.00 C ATOM 0 H ALA A 31 -6.566 13.642 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.358 13.677 -4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.882 11.328 -5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.690 12.447 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.264 11.476 -4.608 1.00 0.00 H new ATOM 432 N THR A 32 -10.455 12.828 -2.700 1.00 0.00 N ATOM 433 CA THR A 32 -11.149 12.330 -1.519 1.00 0.00 C ATOM 434 C THR A 32 -11.718 10.937 -1.761 1.00 0.00 C ATOM 435 O THR A 32 -12.338 10.679 -2.794 1.00 0.00 O ATOM 436 CB THR A 32 -12.293 13.273 -1.100 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.823 14.626 -1.060 1.00 0.00 O ATOM 438 CG2 THR A 32 -12.846 12.883 0.262 1.00 0.00 C ATOM 0 H THR A 32 -11.030 13.403 -3.316 1.00 0.00 H new ATOM 0 HA THR A 32 -10.413 12.284 -0.717 1.00 0.00 H new ATOM 0 HB THR A 32 -13.092 13.187 -1.836 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.556 15.219 -0.795 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.652 13.563 0.536 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.230 11.864 0.221 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.053 12.942 1.007 1.00 0.00 H new ATOM 446 N PHE A 33 -11.504 10.041 -0.804 1.00 0.00 N ATOM 447 CA PHE A 33 -11.996 8.672 -0.914 1.00 0.00 C ATOM 448 C PHE A 33 -12.737 8.257 0.354 1.00 0.00 C ATOM 449 O PHE A 33 -12.123 7.843 1.337 1.00 0.00 O ATOM 450 CB PHE A 33 -10.835 7.711 -1.178 1.00 0.00 C ATOM 451 CG PHE A 33 -10.430 7.642 -2.622 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.149 6.871 -3.521 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.331 8.350 -3.082 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.778 6.805 -4.851 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.955 8.289 -4.410 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.680 7.516 -5.296 1.00 0.00 C ATOM 0 H PHE A 33 -10.993 10.238 0.057 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.693 8.628 -1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.976 8.020 -0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.116 6.714 -0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.009 6.315 -3.179 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.761 8.957 -2.394 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.346 6.199 -5.541 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.096 8.845 -4.755 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.389 7.467 -6.335 1.00 0.00 H new ATOM 466 N ARG A 34 -14.061 8.372 0.322 1.00 0.00 N ATOM 467 CA ARG A 34 -14.886 8.010 1.468 1.00 0.00 C ATOM 468 C ARG A 34 -15.302 6.544 1.398 1.00 0.00 C ATOM 469 O ARG A 34 -15.457 5.984 0.312 1.00 0.00 O ATOM 470 CB ARG A 34 -16.128 8.901 1.530 1.00 0.00 C ATOM 471 CG ARG A 34 -16.027 10.018 2.556 1.00 0.00 C ATOM 472 CD ARG A 34 -16.962 11.169 2.221 1.00 0.00 C ATOM 473 NE ARG A 34 -16.590 11.831 0.974 1.00 0.00 N ATOM 474 CZ ARG A 34 -17.402 12.636 0.299 1.00 0.00 C ATOM 475 NH1 ARG A 34 -18.625 12.879 0.749 1.00 0.00 N ATOM 476 NH2 ARG A 34 -16.991 13.202 -0.829 1.00 0.00 N ATOM 0 H ARG A 34 -14.585 8.713 -0.484 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.294 8.159 2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.301 9.338 0.546 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.996 8.284 1.762 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.268 9.628 3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.001 10.382 2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.983 10.796 2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.950 11.895 3.034 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.655 11.666 0.601 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.945 12.447 1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.246 13.498 0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.050 13.019 -1.178 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.616 13.820 -1.347 1.00 0.00 H new ATOM 490 N CYS A 35 -15.480 5.929 2.562 1.00 0.00 N ATOM 491 CA CYS A 35 -15.877 4.527 2.633 1.00 0.00 C ATOM 492 C CYS A 35 -16.348 4.165 4.038 1.00 0.00 C ATOM 493 O CYS A 35 -15.615 4.336 5.012 1.00 0.00 O ATOM 494 CB CYS A 35 -14.711 3.624 2.225 1.00 0.00 C ATOM 495 SG CYS A 35 -13.156 4.001 3.068 1.00 0.00 S ATOM 0 H CYS A 35 -15.356 6.379 3.469 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.705 4.374 1.941 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -14.980 2.587 2.428 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.559 3.709 1.149 1.00 0.00 H new ATOM 0 HG CYS A 35 -12.348 4.597 2.242 1.00 0.00 H new ATOM 501 N ARG A 36 -17.576 3.667 4.134 1.00 0.00 N ATOM 502 CA ARG A 36 -18.147 3.285 5.420 1.00 0.00 C ATOM 503 C ARG A 36 -17.874 1.814 5.720 1.00 0.00 C ATOM 504 O ARG A 36 -18.431 0.925 5.075 1.00 0.00 O ATOM 505 CB ARG A 36 -19.654 3.547 5.432 1.00 0.00 C ATOM 506 CG ARG A 36 -20.231 3.716 6.828 1.00 0.00 C ATOM 507 CD ARG A 36 -21.751 3.770 6.799 1.00 0.00 C ATOM 508 NE ARG A 36 -22.329 3.618 8.132 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.624 3.761 8.391 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.471 4.056 7.415 1.00 0.00 N ATOM 511 NH2 ARG A 36 -24.074 3.607 9.630 1.00 0.00 N ATOM 0 H ARG A 36 -18.195 3.519 3.337 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.674 3.891 6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.863 4.445 4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.162 2.720 4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.907 2.889 7.460 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.842 4.630 7.276 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.072 4.720 6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -22.130 2.982 6.148 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.705 3.390 8.906 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.129 4.174 6.461 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.465 4.165 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.425 3.379 10.383 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -25.068 3.717 9.829 1.00 0.00 H new ATOM 525 N ILE A 37 -17.013 1.565 6.701 1.00 0.00 N ATOM 526 CA ILE A 37 -16.667 0.202 7.086 1.00 0.00 C ATOM 527 C ILE A 37 -16.904 -0.025 8.576 1.00 0.00 C ATOM 528 O ILE A 37 -16.496 0.782 9.410 1.00 0.00 O ATOM 529 CB ILE A 37 -15.198 -0.120 6.757 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.261 0.754 7.594 1.00 0.00 C ATOM 531 CG2 ILE A 37 -14.932 0.080 5.272 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.701 0.049 8.809 1.00 0.00 C ATOM 0 H ILE A 37 -16.542 2.289 7.244 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.313 -0.462 6.512 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.006 -1.164 7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.435 1.091 6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.800 1.644 7.917 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.889 -0.151 5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.578 -0.581 4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.138 1.116 5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.046 0.729 9.354 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.519 -0.264 9.457 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.133 -0.826 8.492 1.00 0.00 H new ATOM 544 N SER A 38 -17.566 -1.131 8.902 1.00 0.00 N ATOM 545 CA SER A 38 -17.859 -1.465 10.291 1.00 0.00 C ATOM 546 C SER A 38 -16.769 -2.357 10.877 1.00 0.00 C ATOM 547 O SER A 38 -16.093 -3.102 10.168 1.00 0.00 O ATOM 548 CB SER A 38 -19.216 -2.164 10.393 1.00 0.00 C ATOM 549 OG SER A 38 -19.216 -3.127 11.433 1.00 0.00 O ATOM 0 H SER A 38 -17.909 -1.811 8.223 1.00 0.00 H new ATOM 0 HA SER A 38 -17.891 -0.538 10.863 1.00 0.00 H new ATOM 0 HB2 SER A 38 -19.996 -1.425 10.577 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.452 -2.648 9.445 1.00 0.00 H new ATOM 0 HG SER A 38 -19.903 -2.896 12.093 1.00 0.00 H new ATOM 555 N PRO A 39 -16.594 -2.280 12.205 1.00 0.00 N ATOM 556 CA PRO A 39 -17.393 -1.397 13.059 1.00 0.00 C ATOM 557 C PRO A 39 -17.070 0.076 12.833 1.00 0.00 C ATOM 558 O PRO A 39 -16.054 0.412 12.225 1.00 0.00 O ATOM 559 CB PRO A 39 -16.997 -1.820 14.476 1.00 0.00 C ATOM 560 CG PRO A 39 -15.633 -2.401 14.330 1.00 0.00 C ATOM 561 CD PRO A 39 -15.602 -3.050 12.974 1.00 0.00 C ATOM 0 HA PRO A 39 -18.460 -1.489 12.855 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -16.994 -0.969 15.157 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.697 -2.550 14.881 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.869 -1.628 14.410 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.433 -3.129 15.116 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.611 -2.992 12.523 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.867 -4.106 13.028 1.00 0.00 H new ATOM 569 N ALA A 40 -17.940 0.951 13.326 1.00 0.00 N ATOM 570 CA ALA A 40 -17.746 2.388 13.179 1.00 0.00 C ATOM 571 C ALA A 40 -16.555 2.868 14.003 1.00 0.00 C ATOM 572 O ALA A 40 -16.102 4.002 13.854 1.00 0.00 O ATOM 573 CB ALA A 40 -19.007 3.136 13.586 1.00 0.00 C ATOM 0 H ALA A 40 -18.787 0.689 13.831 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.537 2.596 12.130 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.847 4.208 13.471 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.836 2.823 12.952 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.242 2.914 14.627 1.00 0.00 H new ATOM 579 N ASN A 41 -16.054 1.996 14.873 1.00 0.00 N ATOM 580 CA ASN A 41 -14.917 2.332 15.722 1.00 0.00 C ATOM 581 C ASN A 41 -13.717 1.447 15.399 1.00 0.00 C ATOM 582 O ASN A 41 -12.962 1.058 16.291 1.00 0.00 O ATOM 583 CB ASN A 41 -15.293 2.182 17.197 1.00 0.00 C ATOM 584 CG ASN A 41 -16.172 3.317 17.688 1.00 0.00 C ATOM 585 OD1 ASN A 41 -15.950 4.480 17.348 1.00 0.00 O ATOM 586 ND2 ASN A 41 -17.175 2.984 18.491 1.00 0.00 N ATOM 0 H ASN A 41 -16.417 1.053 15.008 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.644 3.369 15.527 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.812 1.235 17.342 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -14.385 2.143 17.799 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -17.800 3.705 18.853 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -17.321 2.007 18.746 1.00 0.00 H new ATOM 593 N TYR A 42 -13.548 1.132 14.120 1.00 0.00 N ATOM 594 CA TYR A 42 -12.441 0.291 13.679 1.00 0.00 C ATOM 595 C TYR A 42 -11.225 1.138 13.315 1.00 0.00 C ATOM 596 O TYR A 42 -11.340 2.131 12.597 1.00 0.00 O ATOM 597 CB TYR A 42 -12.865 -0.557 12.479 1.00 0.00 C ATOM 598 CG TYR A 42 -11.799 -1.525 12.016 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.725 -1.091 11.249 1.00 0.00 C ATOM 600 CD2 TYR A 42 -11.868 -2.873 12.344 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.749 -1.971 10.823 1.00 0.00 C ATOM 602 CE2 TYR A 42 -10.896 -3.761 11.923 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.839 -3.305 11.163 1.00 0.00 C ATOM 604 OH TYR A 42 -8.870 -4.186 10.741 1.00 0.00 O ATOM 0 H TYR A 42 -14.163 1.446 13.370 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.167 -0.369 14.503 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.764 -1.116 12.739 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.128 0.103 11.653 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.652 -0.047 10.981 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.695 -3.233 12.938 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.921 -1.617 10.227 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -10.964 -4.806 12.188 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.082 -5.086 11.067 1.00 0.00 H new ATOM 614 N GLU A 43 -10.061 0.736 13.814 1.00 0.00 N ATOM 615 CA GLU A 43 -8.824 1.457 13.542 1.00 0.00 C ATOM 616 C GLU A 43 -7.643 0.800 14.252 1.00 0.00 C ATOM 617 O GLU A 43 -7.805 0.051 15.216 1.00 0.00 O ATOM 618 CB GLU A 43 -8.950 2.916 13.983 1.00 0.00 C ATOM 619 CG GLU A 43 -9.808 3.106 15.222 1.00 0.00 C ATOM 620 CD GLU A 43 -9.511 4.406 15.944 1.00 0.00 C ATOM 621 OE1 GLU A 43 -8.668 5.181 15.447 1.00 0.00 O ATOM 622 OE2 GLU A 43 -10.121 4.648 17.007 1.00 0.00 O ATOM 0 H GLU A 43 -9.949 -0.085 14.409 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.644 1.424 12.467 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.954 3.315 14.176 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.374 3.499 13.165 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.860 3.085 14.937 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.645 2.271 15.903 1.00 0.00 H new ATOM 629 N PRO A 44 -6.427 1.086 13.765 1.00 0.00 N ATOM 630 CA PRO A 44 -6.222 1.975 12.618 1.00 0.00 C ATOM 631 C PRO A 44 -6.708 1.357 11.311 1.00 0.00 C ATOM 632 O PRO A 44 -7.157 0.211 11.284 1.00 0.00 O ATOM 633 CB PRO A 44 -4.704 2.170 12.586 1.00 0.00 C ATOM 634 CG PRO A 44 -4.153 0.955 13.248 1.00 0.00 C ATOM 635 CD PRO A 44 -5.157 0.562 14.296 1.00 0.00 C ATOM 0 HA PRO A 44 -6.782 2.905 12.718 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.338 2.264 11.564 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.410 3.077 13.115 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.006 0.151 12.527 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.181 1.162 13.697 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.194 -0.519 14.432 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.917 0.997 15.266 1.00 0.00 H new ATOM 643 N VAL A 45 -6.614 2.123 10.228 1.00 0.00 N ATOM 644 CA VAL A 45 -7.042 1.650 8.918 1.00 0.00 C ATOM 645 C VAL A 45 -5.879 1.632 7.933 1.00 0.00 C ATOM 646 O VAL A 45 -4.978 2.468 8.004 1.00 0.00 O ATOM 647 CB VAL A 45 -8.171 2.527 8.346 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.472 2.278 9.093 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.786 3.997 8.406 1.00 0.00 C ATOM 0 H VAL A 45 -6.245 3.074 10.233 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.414 0.635 9.055 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.323 2.257 7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.258 2.907 8.675 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.754 1.230 8.993 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.338 2.519 10.148 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.595 4.602 7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.606 4.284 9.442 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.881 4.160 7.821 1.00 0.00 H new ATOM 659 N HIS A 46 -5.904 0.673 7.012 1.00 0.00 N ATOM 660 CA HIS A 46 -4.851 0.546 6.011 1.00 0.00 C ATOM 661 C HIS A 46 -5.357 0.968 4.635 1.00 0.00 C ATOM 662 O HIS A 46 -6.485 0.653 4.254 1.00 0.00 O ATOM 663 CB HIS A 46 -4.338 -0.893 5.959 1.00 0.00 C ATOM 664 CG HIS A 46 -3.886 -1.415 7.288 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.161 -0.661 8.187 1.00 0.00 N ATOM 666 CD2 HIS A 46 -4.062 -2.625 7.870 1.00 0.00 C ATOM 667 CE1 HIS A 46 -2.909 -1.385 9.263 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.445 -2.580 9.096 1.00 0.00 N ATOM 0 H HIS A 46 -6.642 -0.027 6.939 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.031 1.205 6.296 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.128 -1.538 5.574 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.508 -0.949 5.254 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.589 -3.468 7.449 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.358 -1.055 10.132 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.407 -3.346 9.769 1.00 0.00 H new ATOM 676 N TRP A 47 -4.517 1.681 3.894 1.00 0.00 N ATOM 677 CA TRP A 47 -4.880 2.147 2.560 1.00 0.00 C ATOM 678 C TRP A 47 -3.774 1.838 1.556 1.00 0.00 C ATOM 679 O TRP A 47 -2.608 2.162 1.784 1.00 0.00 O ATOM 680 CB TRP A 47 -5.161 3.650 2.581 1.00 0.00 C ATOM 681 CG TRP A 47 -6.401 4.011 3.342 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.593 3.910 4.691 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.620 4.529 2.799 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.859 4.335 5.018 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.508 4.720 3.875 1.00 0.00 C ATOM 686 CE3 TRP A 47 -8.047 4.853 1.508 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.796 5.218 3.697 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.325 5.347 1.333 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.188 5.526 2.423 1.00 0.00 C ATOM 0 H TRP A 47 -3.580 1.949 4.194 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.783 1.620 2.252 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.309 4.166 3.023 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.254 4.009 1.556 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.859 3.550 5.396 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.251 4.360 5.959 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.389 4.719 0.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.462 5.356 4.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.665 5.600 0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.181 5.915 2.254 1.00 0.00 H new ATOM 700 N PHE A 48 -4.147 1.211 0.446 1.00 0.00 N ATOM 701 CA PHE A 48 -3.186 0.858 -0.593 1.00 0.00 C ATOM 702 C PHE A 48 -3.618 1.416 -1.946 1.00 0.00 C ATOM 703 O PHE A 48 -4.782 1.768 -2.142 1.00 0.00 O ATOM 704 CB PHE A 48 -3.033 -0.662 -0.680 1.00 0.00 C ATOM 705 CG PHE A 48 -2.487 -1.283 0.574 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.320 -1.554 1.648 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.142 -1.595 0.679 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.820 -2.124 2.803 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.636 -2.166 1.831 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.476 -2.432 2.894 1.00 0.00 C ATOM 0 H PHE A 48 -5.108 0.937 0.242 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.225 1.298 -0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.004 -1.105 -0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.374 -0.906 -1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.372 -1.317 1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.480 -1.390 -0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.479 -2.329 3.634 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.415 -2.404 1.900 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.083 -2.880 3.795 1.00 0.00 H new ATOM 720 N LEU A 49 -2.673 1.494 -2.875 1.00 0.00 N ATOM 721 CA LEU A 49 -2.954 2.009 -4.211 1.00 0.00 C ATOM 722 C LEU A 49 -2.271 1.159 -5.278 1.00 0.00 C ATOM 723 O LEU A 49 -1.069 1.285 -5.510 1.00 0.00 O ATOM 724 CB LEU A 49 -2.490 3.462 -4.326 1.00 0.00 C ATOM 725 CG LEU A 49 -2.758 4.148 -5.667 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.612 3.895 -6.634 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.074 3.666 -6.259 1.00 0.00 C ATOM 0 H LEU A 49 -1.705 1.207 -2.729 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.031 1.964 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.976 4.041 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.418 3.497 -4.131 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.832 5.222 -5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.820 4.390 -7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.687 4.290 -6.213 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.506 2.823 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.248 4.165 -7.213 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.029 2.588 -6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.889 3.899 -5.573 1.00 0.00 H new ATOM 739 N ASP A 50 -3.047 0.296 -5.924 1.00 0.00 N ATOM 740 CA ASP A 50 -2.518 -0.573 -6.969 1.00 0.00 C ATOM 741 C ASP A 50 -1.531 -1.582 -6.389 1.00 0.00 C ATOM 742 O ASP A 50 -1.882 -2.735 -6.137 1.00 0.00 O ATOM 743 CB ASP A 50 -1.836 0.258 -8.057 1.00 0.00 C ATOM 744 CG ASP A 50 -2.681 0.375 -9.311 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.921 0.278 -9.202 1.00 0.00 O ATOM 746 OD2 ASP A 50 -2.101 0.565 -10.400 1.00 0.00 O ATOM 0 H ASP A 50 -4.044 0.179 -5.743 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.352 -1.119 -7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.625 1.255 -7.670 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.877 -0.195 -8.309 1.00 0.00 H new ATOM 751 N LYS A 51 -0.295 -1.140 -6.182 1.00 0.00 N ATOM 752 CA LYS A 51 0.743 -2.003 -5.632 1.00 0.00 C ATOM 753 C LYS A 51 1.678 -1.216 -4.719 1.00 0.00 C ATOM 754 O LYS A 51 2.888 -1.442 -4.707 1.00 0.00 O ATOM 755 CB LYS A 51 1.545 -2.654 -6.761 1.00 0.00 C ATOM 756 CG LYS A 51 0.697 -3.060 -7.954 1.00 0.00 C ATOM 757 CD LYS A 51 1.551 -3.617 -9.081 1.00 0.00 C ATOM 758 CE LYS A 51 1.713 -2.608 -10.207 1.00 0.00 C ATOM 759 NZ LYS A 51 1.741 -3.266 -11.543 1.00 0.00 N ATOM 0 H LYS A 51 0.012 -0.189 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 51 0.258 -2.781 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.317 -1.960 -7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.055 -3.535 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.033 -3.808 -7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.136 -2.197 -8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.532 -3.893 -8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.094 -4.527 -9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.893 -1.891 -10.173 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.635 -2.045 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.853 -2.544 -12.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.539 -3.932 -11.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.851 -3.782 -11.694 1.00 0.00 H new ATOM 773 N THR A 52 1.108 -0.290 -3.953 1.00 0.00 N ATOM 774 CA THR A 52 1.890 0.531 -3.037 1.00 0.00 C ATOM 775 C THR A 52 1.048 0.984 -1.850 1.00 0.00 C ATOM 776 O THR A 52 -0.080 1.455 -2.001 1.00 0.00 O ATOM 777 CB THR A 52 2.467 1.770 -3.745 1.00 0.00 C ATOM 778 OG1 THR A 52 3.213 1.371 -4.901 1.00 0.00 O ATOM 779 CG2 THR A 52 3.363 2.563 -2.806 1.00 0.00 C ATOM 0 H THR A 52 0.108 -0.090 -3.949 1.00 0.00 H new ATOM 0 HA THR A 52 2.712 -0.089 -2.681 1.00 0.00 H new ATOM 0 HB THR A 52 1.636 2.406 -4.051 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.575 2.165 -5.347 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.759 3.433 -3.329 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.785 2.891 -1.942 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.188 1.934 -2.473 1.00 0.00 H new ATOM 787 N PRO A 53 1.606 0.840 -0.638 1.00 0.00 N ATOM 788 CA PRO A 53 0.923 1.231 0.599 1.00 0.00 C ATOM 789 C PRO A 53 0.786 2.743 0.733 1.00 0.00 C ATOM 790 O PRO A 53 1.434 3.502 0.010 1.00 0.00 O ATOM 791 CB PRO A 53 1.834 0.677 1.697 1.00 0.00 C ATOM 792 CG PRO A 53 3.182 0.602 1.068 1.00 0.00 C ATOM 793 CD PRO A 53 2.946 0.286 -0.383 1.00 0.00 C ATOM 0 HA PRO A 53 -0.097 0.849 0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.841 1.328 2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.498 -0.304 2.032 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.718 1.545 1.180 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.791 -0.169 1.541 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.700 0.746 -1.022 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.980 -0.787 -0.571 1.00 0.00 H new ATOM 801 N LEU A 54 -0.060 3.176 1.661 1.00 0.00 N ATOM 802 CA LEU A 54 -0.281 4.600 1.891 1.00 0.00 C ATOM 803 C LEU A 54 -0.442 4.893 3.379 1.00 0.00 C ATOM 804 O LEU A 54 -1.205 4.223 4.075 1.00 0.00 O ATOM 805 CB LEU A 54 -1.520 5.073 1.129 1.00 0.00 C ATOM 806 CG LEU A 54 -1.450 4.974 -0.395 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.827 4.696 -0.976 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.866 6.249 -0.986 1.00 0.00 C ATOM 0 H LEU A 54 -0.604 2.562 2.267 1.00 0.00 H new ATOM 0 HA LEU A 54 0.591 5.142 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.376 4.492 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.712 6.112 1.397 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.795 4.143 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.757 4.629 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.207 3.755 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.506 5.505 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.824 6.161 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.495 7.097 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.140 6.404 -0.595 1.00 0.00 H new ATOM 820 N HIS A 55 0.280 5.900 3.860 1.00 0.00 N ATOM 821 CA HIS A 55 0.215 6.284 5.266 1.00 0.00 C ATOM 822 C HIS A 55 0.062 7.795 5.410 1.00 0.00 C ATOM 823 O HIS A 55 0.570 8.561 4.591 1.00 0.00 O ATOM 824 CB HIS A 55 1.470 5.815 6.003 1.00 0.00 C ATOM 825 CG HIS A 55 1.844 4.395 5.705 1.00 0.00 C ATOM 826 ND1 HIS A 55 1.099 3.315 6.128 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.892 3.882 5.018 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.673 2.199 5.717 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.762 2.515 5.040 1.00 0.00 N ATOM 0 H HIS A 55 0.916 6.465 3.297 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.658 5.804 5.708 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.303 6.465 5.735 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.313 5.923 7.076 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.682 4.443 4.542 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.313 1.198 5.903 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.403 1.852 4.604 1.00 0.00 H new ATOM 837 N ALA A 56 -0.643 8.217 6.454 1.00 0.00 N ATOM 838 CA ALA A 56 -0.862 9.636 6.706 1.00 0.00 C ATOM 839 C ALA A 56 0.461 10.391 6.782 1.00 0.00 C ATOM 840 O ALA A 56 1.372 9.994 7.508 1.00 0.00 O ATOM 841 CB ALA A 56 -1.656 9.828 7.989 1.00 0.00 C ATOM 0 H ALA A 56 -1.073 7.596 7.140 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.435 10.043 5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.812 10.892 8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.621 9.330 7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.105 9.399 8.826 1.00 0.00 H new ATOM 847 N ASN A 57 0.560 11.480 6.027 1.00 0.00 N ATOM 848 CA ASN A 57 1.773 12.289 6.009 1.00 0.00 C ATOM 849 C ASN A 57 1.457 13.736 5.640 1.00 0.00 C ATOM 850 O ASN A 57 0.292 14.112 5.507 1.00 0.00 O ATOM 851 CB ASN A 57 2.784 11.708 5.018 1.00 0.00 C ATOM 852 CG ASN A 57 3.307 10.353 5.453 1.00 0.00 C ATOM 853 OD1 ASN A 57 3.792 10.193 6.574 1.00 0.00 O ATOM 854 ND2 ASN A 57 3.210 9.369 4.567 1.00 0.00 N ATOM 0 H ASN A 57 -0.185 11.822 5.420 1.00 0.00 H new ATOM 0 HA ASN A 57 2.205 12.274 7.010 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.316 11.616 4.038 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.620 12.399 4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.544 8.435 4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.801 9.547 3.650 1.00 0.00 H new ATOM 861 N GLU A 58 2.501 14.541 5.475 1.00 0.00 N ATOM 862 CA GLU A 58 2.334 15.946 5.121 1.00 0.00 C ATOM 863 C GLU A 58 1.433 16.095 3.899 1.00 0.00 C ATOM 864 O GLU A 58 0.754 17.110 3.734 1.00 0.00 O ATOM 865 CB GLU A 58 3.694 16.592 4.848 1.00 0.00 C ATOM 866 CG GLU A 58 3.597 17.994 4.271 1.00 0.00 C ATOM 867 CD GLU A 58 4.536 18.971 4.951 1.00 0.00 C ATOM 868 OE1 GLU A 58 4.476 19.084 6.193 1.00 0.00 O ATOM 869 OE2 GLU A 58 5.330 19.623 4.241 1.00 0.00 O ATOM 0 H GLU A 58 3.471 14.245 5.581 1.00 0.00 H new ATOM 0 HA GLU A 58 1.862 16.453 5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.262 16.629 5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.254 15.962 4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.823 17.961 3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.572 18.353 4.368 1.00 0.00 H new ATOM 876 N LEU A 59 1.432 15.079 3.044 1.00 0.00 N ATOM 877 CA LEU A 59 0.615 15.096 1.835 1.00 0.00 C ATOM 878 C LEU A 59 -0.580 14.157 1.972 1.00 0.00 C ATOM 879 O LEU A 59 -1.690 14.484 1.555 1.00 0.00 O ATOM 880 CB LEU A 59 1.456 14.696 0.622 1.00 0.00 C ATOM 881 CG LEU A 59 2.837 15.344 0.520 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.713 14.582 -0.463 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.713 16.803 0.106 1.00 0.00 C ATOM 0 H LEU A 59 1.988 14.232 3.165 1.00 0.00 H new ATOM 0 HA LEU A 59 0.242 16.110 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.585 13.614 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.895 14.939 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 59 3.309 15.305 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.692 15.058 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.830 13.553 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.246 14.589 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.706 17.248 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.221 16.865 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.123 17.343 0.847 1.00 0.00 H new ATOM 895 N ASN A 60 -0.343 12.989 2.561 1.00 0.00 N ATOM 896 CA ASN A 60 -1.400 12.003 2.754 1.00 0.00 C ATOM 897 C ASN A 60 -2.266 12.363 3.958 1.00 0.00 C ATOM 898 O ASN A 60 -1.757 12.588 5.055 1.00 0.00 O ATOM 899 CB ASN A 60 -0.798 10.609 2.943 1.00 0.00 C ATOM 900 CG ASN A 60 0.177 10.246 1.840 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.253 10.833 1.730 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.198 9.274 1.016 1.00 0.00 N ATOM 0 H ASN A 60 0.571 12.703 2.912 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.029 12.002 1.864 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.287 10.564 3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.600 9.871 2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.416 8.986 0.254 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.100 8.815 1.145 1.00 0.00 H new ATOM 909 N GLU A 61 -3.577 12.413 3.743 1.00 0.00 N ATOM 910 CA GLU A 61 -4.513 12.745 4.811 1.00 0.00 C ATOM 911 C GLU A 61 -5.542 11.634 4.997 1.00 0.00 C ATOM 912 O GLU A 61 -6.156 11.175 4.034 1.00 0.00 O ATOM 913 CB GLU A 61 -5.222 14.066 4.505 1.00 0.00 C ATOM 914 CG GLU A 61 -5.090 15.099 5.612 1.00 0.00 C ATOM 915 CD GLU A 61 -6.354 15.913 5.804 1.00 0.00 C ATOM 916 OE1 GLU A 61 -6.672 16.735 4.919 1.00 0.00 O ATOM 917 OE2 GLU A 61 -7.027 15.728 6.840 1.00 0.00 O ATOM 0 H GLU A 61 -4.014 12.228 2.840 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.947 12.851 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.816 14.481 3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.279 13.869 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.841 14.595 6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.262 15.769 5.381 1.00 0.00 H new ATOM 924 N ILE A 62 -5.725 11.208 6.242 1.00 0.00 N ATOM 925 CA ILE A 62 -6.679 10.152 6.556 1.00 0.00 C ATOM 926 C ILE A 62 -7.557 10.539 7.741 1.00 0.00 C ATOM 927 O ILE A 62 -7.164 10.379 8.896 1.00 0.00 O ATOM 928 CB ILE A 62 -5.966 8.824 6.871 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.131 8.371 5.672 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.980 7.756 7.252 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.753 7.874 6.048 1.00 0.00 C ATOM 0 H ILE A 62 -5.225 11.578 7.050 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.304 10.018 5.673 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.297 8.980 7.717 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.664 7.578 5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.031 9.203 4.975 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.461 6.823 7.472 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.535 8.079 8.133 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.672 7.600 6.425 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.218 7.570 5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.202 8.672 6.546 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.845 7.022 6.721 1.00 0.00 H new ATOM 943 N ASP A 63 -8.749 11.045 7.446 1.00 0.00 N ATOM 944 CA ASP A 63 -9.686 11.452 8.487 1.00 0.00 C ATOM 945 C ASP A 63 -10.454 10.250 9.028 1.00 0.00 C ATOM 946 O ASP A 63 -10.214 9.114 8.620 1.00 0.00 O ATOM 947 CB ASP A 63 -10.664 12.496 7.945 1.00 0.00 C ATOM 948 CG ASP A 63 -11.041 13.532 8.984 1.00 0.00 C ATOM 949 OD1 ASP A 63 -10.166 13.904 9.795 1.00 0.00 O ATOM 950 OD2 ASP A 63 -12.210 13.971 8.989 1.00 0.00 O ATOM 0 H ASP A 63 -9.090 11.183 6.495 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.113 11.892 9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.218 12.995 7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.566 11.996 7.592 1.00 0.00 H new ATOM 955 N ALA A 64 -11.377 10.509 9.948 1.00 0.00 N ATOM 956 CA ALA A 64 -12.181 9.448 10.543 1.00 0.00 C ATOM 957 C ALA A 64 -13.570 9.955 10.914 1.00 0.00 C ATOM 958 O ALA A 64 -13.938 9.982 12.088 1.00 0.00 O ATOM 959 CB ALA A 64 -11.480 8.880 11.768 1.00 0.00 C ATOM 0 H ALA A 64 -11.587 11.444 10.298 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.298 8.655 9.804 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.091 8.089 12.203 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.512 8.472 11.477 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.334 9.671 12.503 1.00 0.00 H new ATOM 965 N GLN A 65 -14.338 10.355 9.905 1.00 0.00 N ATOM 966 CA GLN A 65 -15.687 10.862 10.126 1.00 0.00 C ATOM 967 C GLN A 65 -16.502 9.889 10.973 1.00 0.00 C ATOM 968 O GLN A 65 -16.174 8.709 11.095 1.00 0.00 O ATOM 969 CB GLN A 65 -16.389 11.104 8.789 1.00 0.00 C ATOM 970 CG GLN A 65 -16.158 12.496 8.224 1.00 0.00 C ATOM 971 CD GLN A 65 -16.723 12.661 6.827 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.735 12.051 6.479 1.00 0.00 O ATOM 973 NE2 GLN A 65 -16.073 13.489 6.018 1.00 0.00 N ATOM 0 H GLN A 65 -14.049 10.338 8.927 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.609 11.807 10.664 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -16.041 10.365 8.067 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.460 10.946 8.916 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.614 13.233 8.885 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.088 12.703 8.206 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.238 13.974 6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.408 13.640 5.067 1.00 0.00 H new ATOM 982 N PRO A 66 -17.590 10.395 11.573 1.00 0.00 N ATOM 983 CA PRO A 66 -18.474 9.588 12.419 1.00 0.00 C ATOM 984 C PRO A 66 -19.271 8.566 11.615 1.00 0.00 C ATOM 985 O PRO A 66 -19.737 8.855 10.513 1.00 0.00 O ATOM 986 CB PRO A 66 -19.410 10.624 13.044 1.00 0.00 C ATOM 987 CG PRO A 66 -19.415 11.760 12.080 1.00 0.00 C ATOM 988 CD PRO A 66 -18.041 11.793 11.471 1.00 0.00 C ATOM 0 HA PRO A 66 -17.916 9.002 13.150 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.412 10.219 13.184 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.054 10.939 14.025 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.178 11.619 11.314 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.641 12.699 12.585 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.068 12.132 10.435 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.378 12.470 12.011 1.00 0.00 H new ATOM 996 N GLY A 67 -19.425 7.370 12.174 1.00 0.00 N ATOM 997 CA GLY A 67 -20.167 6.323 11.495 1.00 0.00 C ATOM 998 C GLY A 67 -19.269 5.402 10.694 1.00 0.00 C ATOM 999 O GLY A 67 -19.724 4.729 9.770 1.00 0.00 O ATOM 0 H GLY A 67 -19.049 7.107 13.085 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.719 5.738 12.230 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.903 6.776 10.831 1.00 0.00 H new ATOM 1003 N GLY A 68 -17.988 5.372 11.048 1.00 0.00 N ATOM 1004 CA GLY A 68 -17.043 4.525 10.343 1.00 0.00 C ATOM 1005 C GLY A 68 -16.714 5.049 8.960 1.00 0.00 C ATOM 1006 O GLY A 68 -16.389 4.277 8.057 1.00 0.00 O ATOM 0 H GLY A 68 -17.588 5.919 11.810 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.125 4.446 10.926 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.454 3.519 10.259 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.800 6.363 8.791 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.513 6.989 7.506 1.00 0.00 C ATOM 1012 C TYR A 69 -15.053 7.426 7.426 1.00 0.00 C ATOM 1013 O TYR A 69 -14.694 8.518 7.869 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.429 8.193 7.285 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.753 7.838 6.645 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.829 7.419 7.416 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -18.926 7.922 5.269 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -21.040 7.092 6.836 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -20.133 7.599 4.680 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.187 7.184 5.467 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.391 6.861 4.885 1.00 0.00 O ATOM 0 H TYR A 69 -17.066 7.016 9.528 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.697 6.252 6.724 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.617 8.677 8.244 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.914 8.920 6.656 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.718 7.347 8.488 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.103 8.245 4.649 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.866 6.766 7.450 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -20.251 7.671 3.609 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.292 6.856 3.910 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.214 6.565 6.859 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.793 6.860 6.720 1.00 0.00 C ATOM 1033 C HIS A 70 -12.520 7.618 5.424 1.00 0.00 C ATOM 1034 O HIS A 70 -12.601 7.053 4.333 1.00 0.00 O ATOM 1035 CB HIS A 70 -11.976 5.568 6.750 1.00 0.00 C ATOM 1036 CG HIS A 70 -11.995 4.879 8.079 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.273 5.321 9.168 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.657 3.773 8.494 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.488 4.517 10.193 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.324 3.569 9.810 1.00 0.00 N ATOM 0 H HIS A 70 -14.494 5.657 6.488 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.494 7.489 7.559 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.361 4.887 5.991 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.944 5.794 6.482 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -13.323 3.165 7.900 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.054 4.617 11.177 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.667 2.808 10.397 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.197 8.901 5.551 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.912 9.737 4.390 1.00 0.00 C ATOM 1050 C VAL A 71 -10.413 9.822 4.130 1.00 0.00 C ATOM 1051 O VAL A 71 -9.620 10.009 5.054 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.472 11.160 4.572 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.337 11.956 3.283 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.924 11.107 5.025 1.00 0.00 C ATOM 0 H VAL A 71 -12.126 9.385 6.446 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.400 9.269 3.535 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.892 11.664 5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.738 12.959 3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.285 12.023 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.891 11.457 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.304 12.121 5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.520 10.585 4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.990 10.577 5.975 1.00 0.00 H new ATOM 1064 N LEU A 72 -10.029 9.684 2.865 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.623 9.747 2.481 1.00 0.00 C ATOM 1066 C LEU A 72 -8.387 10.849 1.454 1.00 0.00 C ATOM 1067 O LEU A 72 -8.839 10.756 0.312 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.168 8.400 1.915 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.733 8.342 1.392 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.782 7.894 2.491 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.640 7.411 0.192 1.00 0.00 C ATOM 0 H LEU A 72 -10.672 9.528 2.088 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.039 9.976 3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.281 7.645 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.841 8.124 1.103 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.442 9.343 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.765 7.859 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.827 8.599 3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.071 6.903 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.611 7.382 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.951 6.408 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.291 7.775 -0.602 1.00 0.00 H new ATOM 1083 N THR A 73 -7.674 11.893 1.866 1.00 0.00 N ATOM 1084 CA THR A 73 -7.377 13.012 0.981 1.00 0.00 C ATOM 1085 C THR A 73 -5.910 13.012 0.568 1.00 0.00 C ATOM 1086 O THR A 73 -5.063 13.595 1.245 1.00 0.00 O ATOM 1087 CB THR A 73 -7.710 14.360 1.650 1.00 0.00 C ATOM 1088 OG1 THR A 73 -9.094 14.398 2.012 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.392 15.519 0.717 1.00 0.00 C ATOM 0 H THR A 73 -7.292 11.986 2.807 1.00 0.00 H new ATOM 0 HA THR A 73 -8.001 12.889 0.096 1.00 0.00 H new ATOM 0 HB THR A 73 -7.098 14.457 2.547 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.297 15.257 2.438 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.635 16.460 1.210 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.331 15.504 0.466 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.982 15.424 -0.195 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.615 12.355 -0.549 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.249 12.279 -1.054 1.00 0.00 C ATOM 1099 C LEU A 74 -3.845 13.586 -1.729 1.00 0.00 C ATOM 1100 O LEU A 74 -4.173 13.823 -2.891 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.112 11.118 -2.041 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.948 9.729 -1.425 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.363 8.653 -2.416 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.511 9.513 -0.971 1.00 0.00 C ATOM 0 H LEU A 74 -6.304 11.867 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.584 12.108 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.993 11.107 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.253 11.313 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.598 9.661 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.239 7.671 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.408 8.796 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.740 8.720 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.413 8.519 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.842 9.602 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.248 10.264 -0.226 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.128 14.429 -0.993 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.678 15.711 -1.521 1.00 0.00 C ATOM 1118 C ARG A 75 -1.402 15.544 -2.341 1.00 0.00 C ATOM 1119 O ARG A 75 -0.580 14.675 -2.054 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.438 16.701 -0.379 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.596 16.793 0.601 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.336 17.839 1.674 1.00 0.00 C ATOM 1123 NE ARG A 75 -4.571 18.290 2.310 1.00 0.00 N ATOM 1124 CZ ARG A 75 -4.611 19.212 3.265 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -3.491 19.779 3.692 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -5.774 19.569 3.795 1.00 0.00 N ATOM 0 H ARG A 75 -2.846 14.247 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.459 16.101 -2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.538 16.408 0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.250 17.689 -0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.511 17.042 0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.756 15.822 1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.669 17.424 2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.824 18.693 1.231 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.451 17.874 2.004 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.595 19.507 3.287 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.525 20.487 4.426 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.638 19.135 3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.804 20.277 4.528 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.247 16.382 -3.361 1.00 0.00 N ATOM 1141 CA GLN A 76 -0.072 16.326 -4.222 1.00 0.00 C ATOM 1142 C GLN A 76 0.091 14.937 -4.831 1.00 0.00 C ATOM 1143 O GLN A 76 1.064 14.235 -4.552 1.00 0.00 O ATOM 1144 CB GLN A 76 1.184 16.699 -3.433 1.00 0.00 C ATOM 1145 CG GLN A 76 1.110 18.073 -2.786 1.00 0.00 C ATOM 1146 CD GLN A 76 2.472 18.719 -2.629 1.00 0.00 C ATOM 1147 OE1 GLN A 76 3.339 18.585 -3.494 1.00 0.00 O ATOM 1148 NE2 GLN A 76 2.670 19.424 -1.522 1.00 0.00 N ATOM 0 H GLN A 76 -1.920 17.107 -3.611 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.211 17.044 -5.030 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.352 15.950 -2.659 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.045 16.667 -4.100 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.473 18.720 -3.389 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.639 17.984 -1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.924 19.509 -0.831 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.568 19.881 -1.362 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.868 14.545 -5.663 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.832 13.239 -6.312 1.00 0.00 C ATOM 1159 C LEU A 77 -0.026 13.296 -7.606 1.00 0.00 C ATOM 1160 O LEU A 77 0.508 14.343 -7.971 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.253 12.753 -6.604 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.034 12.209 -5.408 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.531 12.322 -5.652 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.645 10.764 -5.130 1.00 0.00 C ATOM 0 H LEU A 77 -1.680 15.113 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.347 12.537 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.817 13.580 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.200 11.973 -7.363 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.783 12.807 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.071 11.930 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.797 13.368 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.799 11.749 -6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.211 10.393 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.867 10.153 -6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.579 10.710 -4.910 1.00 0.00 H new ATOM 1176 N ALA A 78 0.055 12.164 -8.297 1.00 0.00 N ATOM 1177 CA ALA A 78 0.792 12.086 -9.552 1.00 0.00 C ATOM 1178 C ALA A 78 0.071 11.193 -10.557 1.00 0.00 C ATOM 1179 O ALA A 78 -0.708 10.317 -10.178 1.00 0.00 O ATOM 1180 CB ALA A 78 2.203 11.573 -9.305 1.00 0.00 C ATOM 0 H ALA A 78 -0.381 11.288 -8.009 1.00 0.00 H new ATOM 0 HA ALA A 78 0.851 13.090 -9.973 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.742 11.520 -10.251 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.723 12.251 -8.629 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.156 10.580 -8.858 1.00 0.00 H new ATOM 1186 N LEU A 79 0.335 11.421 -11.839 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.289 10.637 -12.899 1.00 0.00 C ATOM 1188 C LEU A 79 -0.042 9.147 -12.693 1.00 0.00 C ATOM 1189 O LEU A 79 -0.818 8.308 -13.151 1.00 0.00 O ATOM 1190 CB LEU A 79 0.248 11.071 -14.264 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.017 12.524 -14.659 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.855 12.924 -15.839 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.488 12.729 -14.986 1.00 0.00 C ATOM 0 H LEU A 79 0.977 12.142 -12.169 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.364 10.816 -12.864 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.325 10.902 -14.279 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.187 10.424 -15.026 1.00 0.00 H new ATOM 0 HG LEU A 79 0.238 13.162 -13.813 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.653 13.961 -16.106 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.905 12.817 -15.568 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.633 12.280 -16.690 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.657 13.769 -15.265 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.770 12.080 -15.815 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.092 12.485 -14.112 1.00 0.00 H new ATOM 1205 N LYS A 80 1.044 8.823 -11.999 1.00 0.00 N ATOM 1206 CA LYS A 80 1.394 7.434 -11.727 1.00 0.00 C ATOM 1207 C LYS A 80 0.477 6.840 -10.662 1.00 0.00 C ATOM 1208 O LYS A 80 0.208 5.639 -10.661 1.00 0.00 O ATOM 1209 CB LYS A 80 2.852 7.332 -11.274 1.00 0.00 C ATOM 1210 CG LYS A 80 3.158 8.138 -10.024 1.00 0.00 C ATOM 1211 CD LYS A 80 4.417 8.972 -10.192 1.00 0.00 C ATOM 1212 CE LYS A 80 5.045 9.309 -8.848 1.00 0.00 C ATOM 1213 NZ LYS A 80 5.196 10.779 -8.660 1.00 0.00 N ATOM 0 H LYS A 80 1.698 9.505 -11.614 1.00 0.00 H new ATOM 0 HA LYS A 80 1.266 6.867 -12.649 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.094 6.285 -11.090 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.500 7.671 -12.083 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.316 8.791 -9.796 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.278 7.464 -9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.136 8.428 -10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.177 9.893 -10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.429 8.902 -8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.022 8.831 -8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.159 10.989 -8.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.029 11.264 -9.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.506 11.112 -7.956 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.001 7.689 -9.759 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.890 7.249 -8.691 1.00 0.00 C ATOM 1229 C ASP A 81 -2.178 6.665 -9.262 1.00 0.00 C ATOM 1230 O ASP A 81 -2.840 5.850 -8.619 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.214 8.415 -7.755 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.427 7.966 -6.323 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -0.423 7.701 -5.629 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.597 7.878 -5.896 1.00 0.00 O ATOM 0 H ASP A 81 0.213 8.686 -9.746 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.380 6.470 -8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.401 9.140 -7.788 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.110 8.924 -8.110 1.00 0.00 H new ATOM 1239 N SER A 82 -2.528 7.088 -10.472 1.00 0.00 N ATOM 1240 CA SER A 82 -3.740 6.611 -11.127 1.00 0.00 C ATOM 1241 C SER A 82 -3.791 5.086 -11.132 1.00 0.00 C ATOM 1242 O SER A 82 -3.051 4.431 -11.864 1.00 0.00 O ATOM 1243 CB SER A 82 -3.811 7.139 -12.562 1.00 0.00 C ATOM 1244 OG SER A 82 -2.775 6.592 -13.358 1.00 0.00 O ATOM 0 H SER A 82 -1.990 7.760 -11.019 1.00 0.00 H new ATOM 0 HA SER A 82 -4.597 6.984 -10.566 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.779 6.889 -12.997 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.735 8.226 -12.557 1.00 0.00 H new ATOM 0 HG SER A 82 -2.075 7.264 -13.491 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.672 4.527 -10.306 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.804 3.084 -10.230 1.00 0.00 C ATOM 1252 C GLY A 83 -6.121 2.655 -9.614 1.00 0.00 C ATOM 1253 O GLY A 83 -7.180 2.813 -10.221 1.00 0.00 O ATOM 0 H GLY A 83 -5.296 5.048 -9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.720 2.661 -11.231 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.981 2.677 -9.642 1.00 0.00 H new ATOM 1257 N THR A 84 -6.056 2.107 -8.404 1.00 0.00 N ATOM 1258 CA THR A 84 -7.252 1.650 -7.707 1.00 0.00 C ATOM 1259 C THR A 84 -6.997 1.514 -6.210 1.00 0.00 C ATOM 1260 O THR A 84 -6.233 0.649 -5.777 1.00 0.00 O ATOM 1261 CB THR A 84 -7.742 0.298 -8.258 1.00 0.00 C ATOM 1262 OG1 THR A 84 -7.887 0.373 -9.681 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.069 -0.095 -7.627 1.00 0.00 C ATOM 0 H THR A 84 -5.188 1.969 -7.887 1.00 0.00 H new ATOM 0 HA THR A 84 -8.023 2.402 -7.875 1.00 0.00 H new ATOM 0 HB THR A 84 -7.001 -0.461 -8.008 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.006 1.308 -9.949 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.395 -1.053 -8.032 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.947 -0.180 -6.547 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.817 0.666 -7.849 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.640 2.370 -5.424 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.484 2.343 -3.975 1.00 0.00 C ATOM 1273 C ILE A 85 -7.942 1.008 -3.398 1.00 0.00 C ATOM 1274 O ILE A 85 -9.106 0.629 -3.529 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.276 3.479 -3.302 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.809 4.838 -3.828 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.122 3.409 -1.790 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.371 5.157 -3.484 1.00 0.00 C ATOM 0 H ILE A 85 -8.275 3.092 -5.766 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.422 2.480 -3.769 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.332 3.359 -3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.928 4.860 -4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.453 5.617 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.688 4.219 -1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.499 2.452 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.069 3.506 -1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.108 6.135 -3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.250 5.168 -2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.717 4.399 -3.915 1.00 0.00 H new ATOM 1290 N TYR A 86 -7.019 0.299 -2.758 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.327 -0.995 -2.161 1.00 0.00 C ATOM 1292 C TYR A 86 -7.386 -0.893 -0.640 1.00 0.00 C ATOM 1293 O TYR A 86 -6.451 -1.286 0.058 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.281 -2.033 -2.573 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.503 -2.600 -3.957 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.570 -3.451 -4.218 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.646 -2.283 -5.004 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.776 -3.971 -5.480 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.845 -2.798 -6.270 1.00 0.00 C ATOM 1300 CZ TYR A 86 -6.911 -3.642 -6.503 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.114 -4.157 -7.763 1.00 0.00 O ATOM 0 H TYR A 86 -6.051 0.599 -2.639 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.305 -1.310 -2.525 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.292 -1.576 -2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.287 -2.849 -1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.250 -3.710 -3.420 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.810 -1.623 -4.825 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.610 -4.632 -5.665 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.170 -2.541 -7.073 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.417 -3.826 -8.368 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.494 -0.362 -0.132 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.677 -0.207 1.307 1.00 0.00 C ATOM 1313 C PHE A 87 -8.578 -1.554 2.016 1.00 0.00 C ATOM 1314 O PHE A 87 -8.913 -2.593 1.447 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.032 0.440 1.603 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.345 0.531 3.069 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.781 1.525 3.851 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.203 -0.379 3.665 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -10.068 1.612 5.200 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.494 -0.298 5.013 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.925 0.698 5.782 1.00 0.00 C ATOM 0 H PHE A 87 -9.278 -0.032 -0.695 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.884 0.440 1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.049 1.441 1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.815 -0.133 1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.109 2.241 3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.650 -1.161 3.069 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.623 2.393 5.798 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.166 -1.013 5.465 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.150 0.762 6.836 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.116 -1.528 3.262 1.00 0.00 N ATOM 1332 CA GLU A 88 -7.971 -2.747 4.049 1.00 0.00 C ATOM 1333 C GLU A 88 -8.529 -2.556 5.456 1.00 0.00 C ATOM 1334 O GLU A 88 -8.298 -1.528 6.092 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.500 -3.161 4.123 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.127 -4.260 3.142 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.653 -4.614 3.196 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.092 -4.647 4.312 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.061 -4.858 2.124 1.00 0.00 O ATOM 0 H GLU A 88 -7.836 -0.676 3.748 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.538 -3.537 3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.876 -2.288 3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.277 -3.498 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.719 -5.150 3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.384 -3.943 2.131 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.266 -3.553 5.935 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.855 -3.496 7.266 1.00 0.00 C ATOM 1348 C ALA A 89 -10.357 -4.868 7.704 1.00 0.00 C ATOM 1349 O ALA A 89 -11.458 -5.281 7.344 1.00 0.00 O ATOM 1350 CB ALA A 89 -10.990 -2.483 7.298 1.00 0.00 C ATOM 0 H ALA A 89 -9.469 -4.410 5.420 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.081 -3.181 7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.421 -2.451 8.299 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.605 -1.497 7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.758 -2.774 6.581 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.540 -5.572 8.483 1.00 0.00 N ATOM 1357 CA GLY A 90 -9.918 -6.890 8.955 1.00 0.00 C ATOM 1358 C GLY A 90 -9.808 -7.947 7.875 1.00 0.00 C ATOM 1359 O GLY A 90 -8.711 -8.258 7.410 1.00 0.00 O ATOM 0 H GLY A 90 -8.623 -5.252 8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.283 -7.167 9.796 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.942 -6.859 9.326 1.00 0.00 H new ATOM 1363 N ASP A 91 -10.947 -8.502 7.474 1.00 0.00 N ATOM 1364 CA ASP A 91 -10.974 -9.531 6.441 1.00 0.00 C ATOM 1365 C ASP A 91 -11.664 -9.018 5.181 1.00 0.00 C ATOM 1366 O ASP A 91 -12.036 -9.799 4.305 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.690 -10.782 6.956 1.00 0.00 C ATOM 1368 CG ASP A 91 -10.945 -11.446 8.097 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -11.053 -10.957 9.241 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -10.255 -12.456 7.847 1.00 0.00 O ATOM 0 H ASP A 91 -11.863 -8.256 7.849 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.944 -9.787 6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.693 -10.513 7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.806 -11.494 6.138 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.831 -7.702 5.098 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.478 -7.086 3.946 1.00 0.00 C ATOM 1377 C GLN A 92 -11.478 -6.273 3.131 1.00 0.00 C ATOM 1378 O GLN A 92 -10.290 -6.230 3.451 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.631 -6.190 4.400 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.807 -6.959 4.980 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.619 -7.674 3.918 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.361 -7.047 3.161 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.481 -8.993 3.855 1.00 0.00 N ATOM 0 H GLN A 92 -11.527 -7.042 5.814 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.873 -7.882 3.315 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.262 -5.488 5.148 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.977 -5.599 3.552 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.439 -7.688 5.702 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.454 -6.270 5.524 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.855 -9.472 4.502 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -16.001 -9.528 3.159 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.966 -5.631 2.075 1.00 0.00 N ATOM 1393 CA ARG A 93 -11.114 -4.820 1.212 1.00 0.00 C ATOM 1394 C ARG A 93 -11.943 -4.096 0.156 1.00 0.00 C ATOM 1395 O ARG A 93 -12.634 -4.725 -0.645 1.00 0.00 O ATOM 1396 CB ARG A 93 -10.058 -5.696 0.535 1.00 0.00 C ATOM 1397 CG ARG A 93 -9.097 -4.917 -0.349 1.00 0.00 C ATOM 1398 CD ARG A 93 -8.521 -5.792 -1.451 1.00 0.00 C ATOM 1399 NE ARG A 93 -9.458 -5.967 -2.557 1.00 0.00 N ATOM 1400 CZ ARG A 93 -9.212 -6.734 -3.614 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -8.066 -7.394 -3.706 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -10.115 -6.843 -4.580 1.00 0.00 N ATOM 0 H ARG A 93 -12.947 -5.656 1.796 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.615 -4.075 1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.489 -6.222 1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.559 -6.454 -0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.616 -4.067 -0.792 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.287 -4.515 0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.599 -5.345 -1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.259 -6.767 -1.040 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.350 -5.474 -2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.370 -7.314 -2.964 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.880 -7.982 -4.518 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.999 -6.338 -4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.926 -7.432 -5.391 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.868 -2.769 0.160 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.610 -1.959 -0.798 1.00 0.00 C ATOM 1418 C ALA A 94 -11.790 -1.714 -2.061 1.00 0.00 C ATOM 1419 O ALA A 94 -10.568 -1.858 -2.056 1.00 0.00 O ATOM 1420 CB ALA A 94 -13.018 -0.636 -0.167 1.00 0.00 C ATOM 0 H ALA A 94 -11.301 -2.232 0.816 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.509 -2.507 -1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.571 -0.041 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.649 -0.826 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.127 -0.091 0.144 1.00 0.00 H new ATOM 1426 N SER A 95 -12.471 -1.346 -3.141 1.00 0.00 N ATOM 1427 CA SER A 95 -11.806 -1.086 -4.412 1.00 0.00 C ATOM 1428 C SER A 95 -12.499 0.045 -5.167 1.00 0.00 C ATOM 1429 O SER A 95 -13.667 -0.066 -5.538 1.00 0.00 O ATOM 1430 CB SER A 95 -11.789 -2.352 -5.271 1.00 0.00 C ATOM 1431 OG SER A 95 -13.024 -3.042 -5.186 1.00 0.00 O ATOM 0 H SER A 95 -13.483 -1.221 -3.161 1.00 0.00 H new ATOM 0 HA SER A 95 -10.780 -0.784 -4.202 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.587 -2.088 -6.309 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.980 -3.006 -4.945 1.00 0.00 H new ATOM 0 HG SER A 95 -13.762 -2.404 -5.275 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.770 1.133 -5.389 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.312 2.284 -6.101 1.00 0.00 C ATOM 1439 C ALA A 96 -11.399 2.700 -7.248 1.00 0.00 C ATOM 1440 O ALA A 96 -10.176 2.703 -7.111 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.522 3.447 -5.142 1.00 0.00 C ATOM 0 H ALA A 96 -10.802 1.242 -5.086 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.275 1.998 -6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.927 4.300 -5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.221 3.152 -4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.569 3.724 -4.692 1.00 0.00 H new ATOM 1447 N ALA A 97 -12.000 3.052 -8.380 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.241 3.471 -9.551 1.00 0.00 C ATOM 1449 C ALA A 97 -10.580 4.826 -9.320 1.00 0.00 C ATOM 1450 O ALA A 97 -11.220 5.870 -9.447 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.143 3.523 -10.775 1.00 0.00 C ATOM 0 H ALA A 97 -13.012 3.055 -8.510 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.454 2.737 -9.725 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.562 3.838 -11.642 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.564 2.534 -10.959 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.951 4.234 -10.602 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.296 4.802 -8.981 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.548 6.029 -8.731 1.00 0.00 C ATOM 1459 C LEU A 98 -7.971 6.588 -10.028 1.00 0.00 C ATOM 1460 O LEU A 98 -6.877 6.210 -10.446 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.421 5.769 -7.729 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.339 6.846 -7.641 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -6.967 8.223 -7.498 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.399 6.563 -6.478 1.00 0.00 C ATOM 0 H LEU A 98 -8.751 3.947 -8.873 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.235 6.765 -8.313 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.863 5.644 -6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.944 4.823 -7.987 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.759 6.828 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.182 8.976 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.599 8.426 -8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.572 8.255 -6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.635 7.339 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.965 6.553 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.922 5.594 -6.623 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.713 7.493 -10.658 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.275 8.105 -11.907 1.00 0.00 C ATOM 1478 C ARG A 99 -7.565 9.430 -11.643 1.00 0.00 C ATOM 1479 O ARG A 99 -7.962 10.195 -10.764 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.469 8.330 -12.836 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.108 7.042 -13.330 1.00 0.00 C ATOM 1482 CD ARG A 99 -11.243 7.320 -14.303 1.00 0.00 C ATOM 1483 NE ARG A 99 -12.016 6.117 -14.601 1.00 0.00 N ATOM 1484 CZ ARG A 99 -12.809 5.997 -15.659 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -12.933 7.001 -16.516 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -13.480 4.871 -15.862 1.00 0.00 N ATOM 0 H ARG A 99 -9.620 7.819 -10.324 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.572 7.425 -12.389 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.220 8.920 -12.312 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.145 8.917 -13.695 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.354 6.424 -13.817 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.487 6.473 -12.481 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.902 8.080 -13.883 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.836 7.727 -15.228 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.943 5.326 -13.961 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.418 7.868 -16.363 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.543 6.906 -17.328 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.387 4.096 -15.205 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.089 4.780 -16.675 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.513 9.695 -12.410 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.748 10.927 -12.260 1.00 0.00 C ATOM 1502 C VAL A 100 -5.173 11.383 -13.597 1.00 0.00 C ATOM 1503 O VAL A 100 -4.223 10.792 -14.111 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.597 10.754 -11.251 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.771 12.028 -11.159 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.141 10.362 -9.886 1.00 0.00 C ATOM 0 H VAL A 100 -6.171 9.073 -13.142 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.438 11.684 -11.887 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.947 9.953 -11.602 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.963 11.887 -10.441 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.351 12.261 -12.138 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.407 12.851 -10.832 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.315 10.244 -9.185 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.814 11.140 -9.525 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.685 9.421 -9.968 1.00 0.00 H new ATOM 1516 N THR A 101 -5.754 12.440 -14.155 1.00 0.00 N ATOM 1517 CA THR A 101 -5.301 12.976 -15.432 1.00 0.00 C ATOM 1518 C THR A 101 -4.263 14.074 -15.231 1.00 0.00 C ATOM 1519 O THR A 101 -4.000 14.492 -14.103 1.00 0.00 O ATOM 1520 CB THR A 101 -6.475 13.540 -16.254 1.00 0.00 C ATOM 1521 OG1 THR A 101 -6.934 14.766 -15.674 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.622 12.542 -16.315 1.00 0.00 C ATOM 0 H THR A 101 -6.540 12.942 -13.742 1.00 0.00 H new ATOM 0 HA THR A 101 -4.849 12.148 -15.979 1.00 0.00 H new ATOM 0 HB THR A 101 -6.123 13.727 -17.268 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.679 15.119 -16.203 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.439 12.963 -16.901 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.277 11.620 -16.783 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.972 12.328 -15.305 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.677 14.537 -16.330 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.667 15.588 -16.272 1.00 0.00 C ATOM 1532 C GLU A 102 -3.204 16.819 -15.548 1.00 0.00 C ATOM 1533 O GLU A 102 -4.415 16.990 -15.402 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.214 15.969 -17.683 1.00 0.00 C ATOM 1535 CG GLU A 102 -1.021 15.168 -18.176 1.00 0.00 C ATOM 1536 CD GLU A 102 -0.943 15.110 -19.689 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -1.844 14.503 -20.306 1.00 0.00 O ATOM 1538 OE2 GLU A 102 0.018 15.670 -20.256 1.00 0.00 O ATOM 0 H GLU A 102 -3.884 14.202 -17.271 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.812 15.205 -15.715 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.046 15.828 -18.373 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.961 17.029 -17.701 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.105 15.610 -17.785 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.080 14.154 -17.780 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.295 17.676 -15.095 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.675 18.892 -14.387 1.00 0.00 C ATOM 1547 C LYS A 103 -1.999 20.113 -15.002 1.00 0.00 C ATOM 1548 O LYS A 103 -0.982 20.010 -15.689 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.303 18.782 -12.906 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.922 19.325 -12.584 1.00 0.00 C ATOM 1551 CD LYS A 103 0.165 18.552 -13.312 1.00 0.00 C ATOM 1552 CE LYS A 103 1.424 18.431 -12.467 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.349 17.390 -12.995 1.00 0.00 N ATOM 0 H LYS A 103 -1.289 17.550 -15.206 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.755 19.012 -14.476 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.043 19.320 -12.313 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.352 17.736 -12.604 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.870 20.378 -12.863 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.750 19.271 -11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.202 17.557 -13.565 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.402 19.052 -14.251 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.937 19.392 -12.440 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.150 18.187 -11.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.606 16.733 -12.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.880 16.864 -13.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.209 17.844 -13.364 1.00 0.00 H new