USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 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 27 ASN : amide:sc= -0.0183 X(o=-0.018,f=-0.0039) USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.178 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -176:sc= -1.75 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 147:sc= -2.1 (180deg=-3.92!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -2.01 X(o=-2,f=-2.5) USER MOD Single : A 57 CYS SG : rot -77:sc= -2.27 USER MOD Single : A 63 MET CE :methyl -166:sc= -2.51 (180deg=-2.99) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000656) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -159:sc= -0.567 (180deg=-0.898) USER MOD Single : A 86 SER OG : rot -70:sc= 1.83 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 14 6.240 18.639 -11.941 1.00 0.00 N ATOM 163 CA SER A 14 6.004 19.415 -10.736 1.00 0.00 C ATOM 164 C SER A 14 4.919 18.748 -9.889 1.00 0.00 C ATOM 165 O SER A 14 5.202 17.831 -9.119 1.00 0.00 O ATOM 166 CB SER A 14 5.605 20.852 -11.075 1.00 0.00 C ATOM 167 OG SER A 14 5.130 21.559 -9.932 1.00 0.00 O ATOM 0 HA SER A 14 6.932 19.450 -10.165 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.463 21.377 -11.495 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.831 20.842 -11.842 1.00 0.00 H new ATOM 0 HG SER A 14 4.887 22.473 -10.190 1.00 0.00 H new ATOM 173 N LYS A 15 3.698 19.235 -10.058 1.00 0.00 N ATOM 174 CA LYS A 15 2.568 18.698 -9.319 1.00 0.00 C ATOM 175 C LYS A 15 2.459 17.195 -9.584 1.00 0.00 C ATOM 176 O LYS A 15 2.239 16.413 -8.660 1.00 0.00 O ATOM 177 CB LYS A 15 1.293 19.475 -9.651 1.00 0.00 C ATOM 178 CG LYS A 15 0.114 18.977 -8.812 1.00 0.00 C ATOM 179 CD LYS A 15 -0.742 17.986 -9.603 1.00 0.00 C ATOM 180 CE LYS A 15 -2.207 18.427 -9.631 1.00 0.00 C ATOM 181 NZ LYS A 15 -2.869 17.947 -10.864 1.00 0.00 N ATOM 0 H LYS A 15 3.467 19.996 -10.696 1.00 0.00 H new ATOM 0 HA LYS A 15 2.720 18.823 -8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.452 20.538 -9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.062 19.366 -10.711 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.485 18.500 -7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.498 19.823 -8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.363 17.905 -10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.665 16.995 -9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.727 18.037 -8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.267 19.514 -9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.862 18.255 -10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.382 18.340 -11.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.828 16.908 -10.898 1.00 0.00 H new ATOM 195 N VAL A 16 2.619 16.837 -10.849 1.00 0.00 N ATOM 196 CA VAL A 16 2.541 15.441 -11.247 1.00 0.00 C ATOM 197 C VAL A 16 3.691 14.666 -10.601 1.00 0.00 C ATOM 198 O VAL A 16 3.471 13.635 -9.968 1.00 0.00 O ATOM 199 CB VAL A 16 2.529 15.332 -12.773 1.00 0.00 C ATOM 200 CG1 VAL A 16 2.275 13.890 -13.217 1.00 0.00 C ATOM 201 CG2 VAL A 16 1.497 16.283 -13.383 1.00 0.00 C ATOM 0 H VAL A 16 2.802 17.489 -11.612 1.00 0.00 H new ATOM 0 HA VAL A 16 1.611 14.995 -10.895 1.00 0.00 H new ATOM 0 HB VAL A 16 3.513 15.627 -13.138 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.271 13.840 -14.306 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.062 13.245 -12.827 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.310 13.556 -12.835 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.509 16.185 -14.469 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.505 16.033 -13.007 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.741 17.309 -13.108 1.00 0.00 H new ATOM 211 N GLU A 17 4.893 15.193 -10.785 1.00 0.00 N ATOM 212 CA GLU A 17 6.079 14.563 -10.228 1.00 0.00 C ATOM 213 C GLU A 17 5.812 14.106 -8.793 1.00 0.00 C ATOM 214 O GLU A 17 6.404 13.133 -8.328 1.00 0.00 O ATOM 215 CB GLU A 17 7.281 15.508 -10.288 1.00 0.00 C ATOM 216 CG GLU A 17 8.360 14.963 -11.225 1.00 0.00 C ATOM 217 CD GLU A 17 9.525 14.367 -10.431 1.00 0.00 C ATOM 218 OE1 GLU A 17 10.051 15.095 -9.562 1.00 0.00 O ATOM 219 OE2 GLU A 17 9.862 13.196 -10.712 1.00 0.00 O ATOM 0 H GLU A 17 5.071 16.048 -11.311 1.00 0.00 H new ATOM 0 HA GLU A 17 6.318 13.686 -10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.959 16.491 -10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.695 15.640 -9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.931 14.201 -11.876 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.725 15.763 -11.869 1.00 0.00 H new ATOM 226 N LYS A 18 4.922 14.830 -8.130 1.00 0.00 N ATOM 227 CA LYS A 18 4.570 14.510 -6.757 1.00 0.00 C ATOM 228 C LYS A 18 3.721 13.237 -6.736 1.00 0.00 C ATOM 229 O LYS A 18 3.977 12.330 -5.946 1.00 0.00 O ATOM 230 CB LYS A 18 3.898 15.709 -6.084 1.00 0.00 C ATOM 231 CG LYS A 18 4.882 16.450 -5.176 1.00 0.00 C ATOM 232 CD LYS A 18 4.988 15.769 -3.810 1.00 0.00 C ATOM 233 CE LYS A 18 3.849 16.208 -2.889 1.00 0.00 C ATOM 234 NZ LYS A 18 4.315 17.254 -1.951 1.00 0.00 N ATOM 0 H LYS A 18 4.434 15.637 -8.518 1.00 0.00 H new ATOM 0 HA LYS A 18 5.466 14.305 -6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.515 16.390 -6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.042 15.370 -5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.864 16.482 -5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.557 17.482 -5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.962 14.687 -3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.946 16.013 -3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.019 16.588 -3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.474 15.351 -2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.529 17.541 -1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.093 16.879 -1.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.651 18.078 -2.489 1.00 0.00 H new ATOM 248 N ALA A 19 2.728 13.212 -7.613 1.00 0.00 N ATOM 249 CA ALA A 19 1.840 12.065 -7.704 1.00 0.00 C ATOM 250 C ALA A 19 2.634 10.848 -8.182 1.00 0.00 C ATOM 251 O ALA A 19 2.630 9.805 -7.530 1.00 0.00 O ATOM 252 CB ALA A 19 0.669 12.399 -8.631 1.00 0.00 C ATOM 0 H ALA A 19 2.519 13.967 -8.266 1.00 0.00 H new ATOM 0 HA ALA A 19 1.423 11.823 -6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.003 11.539 -8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.121 13.252 -8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.049 12.644 -9.623 1.00 0.00 H new ATOM 258 N ARG A 20 3.296 11.021 -9.317 1.00 0.00 N ATOM 259 CA ARG A 20 4.093 9.950 -9.890 1.00 0.00 C ATOM 260 C ARG A 20 4.876 9.225 -8.792 1.00 0.00 C ATOM 261 O ARG A 20 4.788 8.005 -8.665 1.00 0.00 O ATOM 262 CB ARG A 20 5.072 10.489 -10.934 1.00 0.00 C ATOM 263 CG ARG A 20 5.209 9.519 -12.110 1.00 0.00 C ATOM 264 CD ARG A 20 6.579 8.839 -12.102 1.00 0.00 C ATOM 265 NE ARG A 20 6.532 7.598 -12.907 1.00 0.00 N ATOM 266 CZ ARG A 20 7.612 6.992 -13.418 1.00 0.00 C ATOM 267 NH1 ARG A 20 8.831 7.510 -13.211 1.00 0.00 N ATOM 268 NH2 ARG A 20 7.475 5.869 -14.136 1.00 0.00 N ATOM 0 H ARG A 20 3.296 11.887 -9.855 1.00 0.00 H new ATOM 0 HA ARG A 20 3.410 9.253 -10.376 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.727 11.458 -11.295 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.047 10.649 -10.475 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.424 8.765 -12.057 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.071 10.057 -13.048 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.332 9.516 -12.505 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.873 8.608 -11.078 1.00 0.00 H new ATOM 0 HE ARG A 20 5.620 7.178 -13.084 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.936 8.365 -12.665 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.654 7.049 -13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.548 5.475 -14.294 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.298 5.409 -14.525 1.00 0.00 H new ATOM 282 N GLN A 21 5.623 10.008 -8.028 1.00 0.00 N ATOM 283 CA GLN A 21 6.421 9.457 -6.946 1.00 0.00 C ATOM 284 C GLN A 21 5.519 8.774 -5.917 1.00 0.00 C ATOM 285 O GLN A 21 5.720 7.605 -5.588 1.00 0.00 O ATOM 286 CB GLN A 21 7.279 10.541 -6.290 1.00 0.00 C ATOM 287 CG GLN A 21 8.406 10.988 -7.224 1.00 0.00 C ATOM 288 CD GLN A 21 9.517 11.693 -6.443 1.00 0.00 C ATOM 289 OE1 GLN A 21 9.304 12.260 -5.385 1.00 0.00 O ATOM 290 NE2 GLN A 21 10.712 11.624 -7.023 1.00 0.00 N ATOM 0 H GLN A 21 5.693 11.020 -8.137 1.00 0.00 H new ATOM 0 HA GLN A 21 7.096 8.709 -7.362 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.655 11.397 -6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.702 10.162 -5.360 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.816 10.123 -7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.008 11.660 -7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.821 11.133 -7.910 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.520 12.062 -6.580 1.00 0.00 H new ATOM 299 N LEU A 22 4.544 9.532 -5.435 1.00 0.00 N ATOM 300 CA LEU A 22 3.611 9.014 -4.450 1.00 0.00 C ATOM 301 C LEU A 22 3.054 7.674 -4.935 1.00 0.00 C ATOM 302 O LEU A 22 2.997 6.709 -4.175 1.00 0.00 O ATOM 303 CB LEU A 22 2.531 10.051 -4.137 1.00 0.00 C ATOM 304 CG LEU A 22 2.975 11.247 -3.292 1.00 0.00 C ATOM 305 CD1 LEU A 22 1.823 12.234 -3.092 1.00 0.00 C ATOM 306 CD2 LEU A 22 3.573 10.787 -1.961 1.00 0.00 C ATOM 0 H LEU A 22 4.381 10.501 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 22 4.122 8.824 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.131 10.426 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.713 9.550 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 22 3.761 11.774 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.165 13.075 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.483 12.598 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.999 11.733 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.880 11.657 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.826 10.223 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.439 10.153 -2.151 1.00 0.00 H new ATOM 318 N ARG A 23 2.659 7.657 -6.200 1.00 0.00 N ATOM 319 CA ARG A 23 2.108 6.452 -6.796 1.00 0.00 C ATOM 320 C ARG A 23 3.037 5.263 -6.543 1.00 0.00 C ATOM 321 O ARG A 23 2.580 4.128 -6.421 1.00 0.00 O ATOM 322 CB ARG A 23 1.911 6.624 -8.303 1.00 0.00 C ATOM 323 CG ARG A 23 0.742 7.566 -8.599 1.00 0.00 C ATOM 324 CD ARG A 23 0.064 7.200 -9.921 1.00 0.00 C ATOM 325 NE ARG A 23 0.599 8.042 -11.014 1.00 0.00 N ATOM 326 CZ ARG A 23 0.186 9.290 -11.272 1.00 0.00 C ATOM 327 NH1 ARG A 23 -0.769 9.849 -10.517 1.00 0.00 N ATOM 328 NH2 ARG A 23 0.729 9.979 -12.285 1.00 0.00 N ATOM 0 H ARG A 23 2.710 8.459 -6.828 1.00 0.00 H new ATOM 0 HA ARG A 23 1.139 6.266 -6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.823 7.019 -8.750 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.726 5.653 -8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.016 7.516 -7.788 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.101 8.594 -8.643 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.232 6.147 -10.146 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.014 7.340 -9.837 1.00 0.00 H new ATOM 0 HE ARG A 23 1.328 7.647 -11.608 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.182 9.324 -9.746 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.083 10.799 -10.713 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.456 9.553 -12.859 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.415 10.929 -12.482 1.00 0.00 H new ATOM 342 N GLU A 24 4.326 5.564 -6.471 1.00 0.00 N ATOM 343 CA GLU A 24 5.323 4.534 -6.234 1.00 0.00 C ATOM 344 C GLU A 24 5.365 4.167 -4.750 1.00 0.00 C ATOM 345 O GLU A 24 5.314 2.989 -4.396 1.00 0.00 O ATOM 346 CB GLU A 24 6.701 4.981 -6.727 1.00 0.00 C ATOM 347 CG GLU A 24 6.617 5.552 -8.144 1.00 0.00 C ATOM 348 CD GLU A 24 7.855 5.174 -8.961 1.00 0.00 C ATOM 349 OE1 GLU A 24 8.008 3.963 -9.231 1.00 0.00 O ATOM 350 OE2 GLU A 24 8.619 6.104 -9.297 1.00 0.00 O ATOM 0 H GLU A 24 4.702 6.507 -6.573 1.00 0.00 H new ATOM 0 HA GLU A 24 5.041 3.646 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.107 5.734 -6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.389 4.135 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.721 5.176 -8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.524 6.637 -8.098 1.00 0.00 H new ATOM 357 N GLN A 25 5.456 5.196 -3.920 1.00 0.00 N ATOM 358 CA GLN A 25 5.505 4.996 -2.482 1.00 0.00 C ATOM 359 C GLN A 25 4.261 4.242 -2.008 1.00 0.00 C ATOM 360 O GLN A 25 4.368 3.259 -1.276 1.00 0.00 O ATOM 361 CB GLN A 25 5.651 6.330 -1.748 1.00 0.00 C ATOM 362 CG GLN A 25 7.106 6.579 -1.346 1.00 0.00 C ATOM 363 CD GLN A 25 7.187 7.294 0.004 1.00 0.00 C ATOM 364 OE1 GLN A 25 7.190 6.683 1.060 1.00 0.00 O ATOM 365 NE2 GLN A 25 7.254 8.619 -0.089 1.00 0.00 N ATOM 0 H GLN A 25 5.497 6.171 -4.216 1.00 0.00 H new ATOM 0 HA GLN A 25 6.382 4.393 -2.248 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.303 7.141 -2.388 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.019 6.331 -0.860 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.639 5.630 -1.292 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.600 7.179 -2.110 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.247 9.067 -1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.312 9.187 0.756 1.00 0.00 H new ATOM 374 N VAL A 26 3.110 4.730 -2.446 1.00 0.00 N ATOM 375 CA VAL A 26 1.847 4.115 -2.076 1.00 0.00 C ATOM 376 C VAL A 26 1.848 2.651 -2.520 1.00 0.00 C ATOM 377 O VAL A 26 1.529 1.760 -1.735 1.00 0.00 O ATOM 378 CB VAL A 26 0.683 4.917 -2.661 1.00 0.00 C ATOM 379 CG1 VAL A 26 -0.648 4.194 -2.438 1.00 0.00 C ATOM 380 CG2 VAL A 26 0.643 6.331 -2.079 1.00 0.00 C ATOM 0 H VAL A 26 3.026 5.545 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 26 1.720 4.126 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 26 0.842 5.002 -3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.459 4.785 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.618 3.218 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.816 4.063 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.194 6.879 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.520 6.276 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.574 6.847 -2.312 1.00 0.00 H new ATOM 390 N ASN A 27 2.211 2.448 -3.778 1.00 0.00 N ATOM 391 CA ASN A 27 2.258 1.108 -4.337 1.00 0.00 C ATOM 392 C ASN A 27 3.175 0.234 -3.479 1.00 0.00 C ATOM 393 O ASN A 27 2.709 -0.676 -2.795 1.00 0.00 O ATOM 394 CB ASN A 27 2.817 1.124 -5.761 1.00 0.00 C ATOM 395 CG ASN A 27 3.091 -0.297 -6.258 1.00 0.00 C ATOM 396 OD1 ASN A 27 2.239 -1.169 -6.227 1.00 0.00 O ATOM 397 ND2 ASN A 27 4.326 -0.480 -6.718 1.00 0.00 N ATOM 0 H ASN A 27 2.475 3.190 -4.426 1.00 0.00 H new ATOM 0 HA ASN A 27 1.242 0.714 -4.353 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.109 1.616 -6.428 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.738 1.706 -5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.608 -1.394 -7.073 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.991 0.293 -6.716 1.00 0.00 H new ATOM 404 N ASP A 28 4.462 0.542 -3.542 1.00 0.00 N ATOM 405 CA ASP A 28 5.448 -0.204 -2.779 1.00 0.00 C ATOM 406 C ASP A 28 4.965 -0.352 -1.335 1.00 0.00 C ATOM 407 O ASP A 28 5.025 -1.440 -0.765 1.00 0.00 O ATOM 408 CB ASP A 28 6.793 0.526 -2.755 1.00 0.00 C ATOM 409 CG ASP A 28 8.019 -0.373 -2.923 1.00 0.00 C ATOM 410 OD1 ASP A 28 7.869 -1.421 -3.588 1.00 0.00 O ATOM 411 OD2 ASP A 28 9.080 0.008 -2.383 1.00 0.00 O ATOM 0 H ASP A 28 4.845 1.298 -4.110 1.00 0.00 H new ATOM 0 HA ASP A 28 5.574 -1.178 -3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.798 1.274 -3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.881 1.063 -1.810 1.00 0.00 H new ATOM 416 N LEU A 29 4.496 0.759 -0.786 1.00 0.00 N ATOM 417 CA LEU A 29 4.002 0.767 0.581 1.00 0.00 C ATOM 418 C LEU A 29 3.128 -0.468 0.810 1.00 0.00 C ATOM 419 O LEU A 29 3.477 -1.342 1.601 1.00 0.00 O ATOM 420 CB LEU A 29 3.293 2.088 0.887 1.00 0.00 C ATOM 421 CG LEU A 29 2.280 2.055 2.033 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.966 1.733 3.362 1.00 0.00 C ATOM 423 CD2 LEU A 29 1.486 3.361 2.100 1.00 0.00 C ATOM 0 H LEU A 29 4.448 1.660 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 29 4.831 0.706 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.049 2.838 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.780 2.420 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 29 1.567 1.254 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.224 1.716 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.450 0.758 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.714 2.495 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.773 3.312 2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.170 4.194 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.949 3.509 1.163 1.00 0.00 H new ATOM 435 N PHE A 30 2.008 -0.499 0.103 1.00 0.00 N ATOM 436 CA PHE A 30 1.081 -1.612 0.219 1.00 0.00 C ATOM 437 C PHE A 30 1.788 -2.944 -0.039 1.00 0.00 C ATOM 438 O PHE A 30 1.648 -3.887 0.738 1.00 0.00 O ATOM 439 CB PHE A 30 0.000 -1.407 -0.844 1.00 0.00 C ATOM 440 CG PHE A 30 -0.931 -0.225 -0.566 1.00 0.00 C ATOM 441 CD1 PHE A 30 -1.338 0.035 0.705 1.00 0.00 C ATOM 442 CD2 PHE A 30 -1.350 0.566 -1.590 1.00 0.00 C ATOM 443 CE1 PHE A 30 -2.202 1.132 0.964 1.00 0.00 C ATOM 444 CE2 PHE A 30 -2.214 1.663 -1.331 1.00 0.00 C ATOM 445 CZ PHE A 30 -2.622 1.923 -0.060 1.00 0.00 C ATOM 0 H PHE A 30 1.722 0.228 -0.552 1.00 0.00 H new ATOM 0 HA PHE A 30 0.662 -1.643 1.225 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.480 -1.258 -1.811 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.597 -2.316 -0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.004 -0.593 1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.026 0.360 -2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.525 1.338 1.974 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.547 2.291 -2.144 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.279 2.757 0.136 1.00 0.00 H new ATOM 455 N SER A 31 2.532 -2.979 -1.135 1.00 0.00 N ATOM 456 CA SER A 31 3.261 -4.180 -1.506 1.00 0.00 C ATOM 457 C SER A 31 4.110 -4.662 -0.327 1.00 0.00 C ATOM 458 O SER A 31 3.996 -5.812 0.094 1.00 0.00 O ATOM 459 CB SER A 31 4.145 -3.932 -2.730 1.00 0.00 C ATOM 460 OG SER A 31 3.786 -2.735 -3.414 1.00 0.00 O ATOM 0 H SER A 31 2.646 -2.195 -1.778 1.00 0.00 H new ATOM 0 HA SER A 31 2.537 -4.953 -1.765 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.188 -3.872 -2.418 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.064 -4.778 -3.413 1.00 0.00 H new ATOM 0 HG SER A 31 4.331 -2.644 -4.223 1.00 0.00 H new ATOM 466 N ARG A 32 4.941 -3.758 0.171 1.00 0.00 N ATOM 467 CA ARG A 32 5.808 -4.077 1.293 1.00 0.00 C ATOM 468 C ARG A 32 4.976 -4.527 2.495 1.00 0.00 C ATOM 469 O ARG A 32 5.079 -5.672 2.933 1.00 0.00 O ATOM 470 CB ARG A 32 6.658 -2.869 1.692 1.00 0.00 C ATOM 471 CG ARG A 32 8.149 -3.214 1.661 1.00 0.00 C ATOM 472 CD ARG A 32 9.006 -1.949 1.740 1.00 0.00 C ATOM 473 NE ARG A 32 10.151 -2.055 0.810 1.00 0.00 N ATOM 474 CZ ARG A 32 11.052 -1.082 0.613 1.00 0.00 C ATOM 475 NH1 ARG A 32 10.944 0.075 1.280 1.00 0.00 N ATOM 476 NH2 ARG A 32 12.059 -1.266 -0.251 1.00 0.00 N ATOM 0 H ARG A 32 5.032 -2.805 -0.182 1.00 0.00 H new ATOM 0 HA ARG A 32 6.470 -4.886 0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.459 -2.039 1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.378 -2.537 2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.391 -3.874 2.494 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.381 -3.758 0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.404 -1.076 1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.366 -1.807 2.759 1.00 0.00 H new ATOM 0 HE ARG A 32 10.262 -2.923 0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.177 0.215 1.937 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.629 0.816 1.131 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.140 -2.147 -0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.744 -0.525 -0.401 1.00 0.00 H new ATOM 490 N LYS A 33 4.171 -3.602 2.997 1.00 0.00 N ATOM 491 CA LYS A 33 3.322 -3.889 4.140 1.00 0.00 C ATOM 492 C LYS A 33 2.632 -5.238 3.932 1.00 0.00 C ATOM 493 O LYS A 33 2.705 -6.116 4.791 1.00 0.00 O ATOM 494 CB LYS A 33 2.350 -2.733 4.390 1.00 0.00 C ATOM 495 CG LYS A 33 3.086 -1.504 4.927 1.00 0.00 C ATOM 496 CD LYS A 33 3.324 -1.623 6.434 1.00 0.00 C ATOM 497 CE LYS A 33 4.292 -0.543 6.922 1.00 0.00 C ATOM 498 NZ LYS A 33 5.218 -1.098 7.935 1.00 0.00 N ATOM 0 H LYS A 33 4.089 -2.653 2.633 1.00 0.00 H new ATOM 0 HA LYS A 33 3.921 -3.973 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.837 -2.478 3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.586 -3.044 5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.040 -1.393 4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.504 -0.607 4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.376 -1.533 6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.727 -2.609 6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.859 -0.147 6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.733 0.289 7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.868 -0.353 8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.673 -1.454 8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.764 -1.877 7.516 1.00 0.00 H new ATOM 512 N PHE A 34 1.978 -5.362 2.787 1.00 0.00 N ATOM 513 CA PHE A 34 1.276 -6.590 2.455 1.00 0.00 C ATOM 514 C PHE A 34 2.149 -7.815 2.737 1.00 0.00 C ATOM 515 O PHE A 34 1.687 -8.787 3.333 1.00 0.00 O ATOM 516 CB PHE A 34 0.962 -6.536 0.958 1.00 0.00 C ATOM 517 CG PHE A 34 0.360 -7.828 0.402 1.00 0.00 C ATOM 518 CD1 PHE A 34 -0.797 -8.318 0.922 1.00 0.00 C ATOM 519 CD2 PHE A 34 0.982 -8.485 -0.614 1.00 0.00 C ATOM 520 CE1 PHE A 34 -1.356 -9.517 0.405 1.00 0.00 C ATOM 521 CE2 PHE A 34 0.423 -9.684 -1.130 1.00 0.00 C ATOM 522 CZ PHE A 34 -0.734 -10.174 -0.610 1.00 0.00 C ATOM 0 H PHE A 34 1.919 -4.632 2.077 1.00 0.00 H new ATOM 0 HA PHE A 34 0.372 -6.675 3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.270 -5.715 0.772 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.878 -6.310 0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.291 -7.796 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.900 -8.095 -1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.275 -9.907 0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.917 -10.207 -1.936 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.159 -11.086 -1.003 1.00 0.00 H new ATOM 532 N GLY A 35 3.395 -7.727 2.296 1.00 0.00 N ATOM 533 CA GLY A 35 4.337 -8.816 2.493 1.00 0.00 C ATOM 534 C GLY A 35 4.233 -9.380 3.912 1.00 0.00 C ATOM 535 O GLY A 35 4.469 -10.567 4.130 1.00 0.00 O ATOM 0 H GLY A 35 3.774 -6.919 1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.142 -9.606 1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.352 -8.461 2.312 1.00 0.00 H new ATOM 539 N GLU A 36 3.881 -8.502 4.839 1.00 0.00 N ATOM 540 CA GLU A 36 3.743 -8.897 6.230 1.00 0.00 C ATOM 541 C GLU A 36 2.530 -9.813 6.404 1.00 0.00 C ATOM 542 O GLU A 36 2.611 -10.835 7.084 1.00 0.00 O ATOM 543 CB GLU A 36 3.641 -7.672 7.141 1.00 0.00 C ATOM 544 CG GLU A 36 4.771 -6.681 6.855 1.00 0.00 C ATOM 545 CD GLU A 36 6.074 -7.129 7.520 1.00 0.00 C ATOM 546 OE1 GLU A 36 6.154 -6.996 8.760 1.00 0.00 O ATOM 547 OE2 GLU A 36 6.962 -7.594 6.773 1.00 0.00 O ATOM 0 H GLU A 36 3.687 -7.518 4.654 1.00 0.00 H new ATOM 0 HA GLU A 36 4.636 -9.451 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.678 -7.183 6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.683 -7.985 8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.919 -6.594 5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.493 -5.692 7.220 1.00 0.00 H new ATOM 554 N ALA A 37 1.432 -9.413 5.778 1.00 0.00 N ATOM 555 CA ALA A 37 0.204 -10.185 5.856 1.00 0.00 C ATOM 556 C ALA A 37 0.463 -11.602 5.341 1.00 0.00 C ATOM 557 O ALA A 37 -0.330 -12.510 5.585 1.00 0.00 O ATOM 558 CB ALA A 37 -0.898 -9.472 5.069 1.00 0.00 C ATOM 0 H ALA A 37 1.368 -8.565 5.215 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.133 -10.266 6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.820 -10.051 5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.064 -8.481 5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.596 -9.375 4.026 1.00 0.00 H new ATOM 564 N ILE A 38 1.577 -11.747 4.639 1.00 0.00 N ATOM 565 CA ILE A 38 1.951 -13.039 4.088 1.00 0.00 C ATOM 566 C ILE A 38 3.279 -13.486 4.703 1.00 0.00 C ATOM 567 O ILE A 38 3.908 -14.424 4.216 1.00 0.00 O ATOM 568 CB ILE A 38 1.970 -12.984 2.559 1.00 0.00 C ATOM 569 CG1 ILE A 38 2.554 -11.659 2.065 1.00 0.00 C ATOM 570 CG2 ILE A 38 0.576 -13.246 1.984 1.00 0.00 C ATOM 571 CD1 ILE A 38 2.426 -11.537 0.545 1.00 0.00 C ATOM 0 H ILE A 38 2.233 -10.992 4.439 1.00 0.00 H new ATOM 0 HA ILE A 38 1.208 -13.793 4.348 1.00 0.00 H new ATOM 0 HB ILE A 38 2.623 -13.778 2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.037 -10.828 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.603 -11.590 2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.617 -13.201 0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.234 -14.234 2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.117 -12.490 2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.848 -10.586 0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.964 -12.356 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.374 -11.582 0.264 1.00 0.00 H new ATOM 583 N GLY A 39 3.666 -12.793 5.764 1.00 0.00 N ATOM 584 CA GLY A 39 4.907 -13.107 6.451 1.00 0.00 C ATOM 585 C GLY A 39 6.068 -13.219 5.462 1.00 0.00 C ATOM 586 O GLY A 39 7.085 -13.842 5.760 1.00 0.00 O ATOM 0 H GLY A 39 3.142 -12.015 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.125 -12.333 7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.798 -14.044 6.997 1.00 0.00 H new ATOM 590 N MET A 40 5.878 -12.604 4.303 1.00 0.00 N ATOM 591 CA MET A 40 6.896 -12.627 3.267 1.00 0.00 C ATOM 592 C MET A 40 8.050 -11.683 3.613 1.00 0.00 C ATOM 593 O MET A 40 7.872 -10.731 4.371 1.00 0.00 O ATOM 594 CB MET A 40 6.277 -12.209 1.932 1.00 0.00 C ATOM 595 CG MET A 40 5.218 -13.217 1.480 1.00 0.00 C ATOM 596 SD MET A 40 6.005 -14.668 0.801 1.00 0.00 S ATOM 597 CE MET A 40 5.284 -14.677 -0.831 1.00 0.00 C ATOM 0 H MET A 40 5.033 -12.087 4.059 1.00 0.00 H new ATOM 0 HA MET A 40 7.289 -13.641 3.193 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.826 -11.221 2.029 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.057 -12.130 1.174 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.587 -13.497 2.324 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.568 -12.763 0.733 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.006 -15.073 -1.545 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.392 -15.304 -0.831 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.013 -13.660 -1.115 1.00 0.00 H new ATOM 607 N GLY A 41 9.207 -11.980 3.039 1.00 0.00 N ATOM 608 CA GLY A 41 10.390 -11.170 3.277 1.00 0.00 C ATOM 609 C GLY A 41 10.623 -10.190 2.125 1.00 0.00 C ATOM 610 O GLY A 41 11.749 -9.750 1.898 1.00 0.00 O ATOM 0 H GLY A 41 9.350 -12.770 2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.276 -10.619 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.261 -11.816 3.392 1.00 0.00 H new ATOM 614 N PHE A 42 9.540 -9.876 1.429 1.00 0.00 N ATOM 615 CA PHE A 42 9.613 -8.956 0.307 1.00 0.00 C ATOM 616 C PHE A 42 8.228 -8.407 -0.043 1.00 0.00 C ATOM 617 O PHE A 42 7.213 -8.963 0.372 1.00 0.00 O ATOM 618 CB PHE A 42 10.151 -9.748 -0.887 1.00 0.00 C ATOM 619 CG PHE A 42 9.567 -11.156 -1.013 1.00 0.00 C ATOM 620 CD1 PHE A 42 8.227 -11.325 -1.168 1.00 0.00 C ATOM 621 CD2 PHE A 42 10.389 -12.239 -0.970 1.00 0.00 C ATOM 622 CE1 PHE A 42 7.685 -12.633 -1.285 1.00 0.00 C ATOM 623 CE2 PHE A 42 9.847 -13.547 -1.087 1.00 0.00 C ATOM 624 CZ PHE A 42 8.506 -13.716 -1.242 1.00 0.00 C ATOM 0 H PHE A 42 8.608 -10.242 1.620 1.00 0.00 H new ATOM 0 HA PHE A 42 10.256 -8.113 0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.939 -9.195 -1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.235 -9.822 -0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.575 -10.465 -1.202 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.454 -12.105 -0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.620 -12.767 -1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.499 -14.407 -1.053 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.094 -14.710 -1.331 1.00 0.00 H new ATOM 634 N PRO A 43 8.232 -7.292 -0.823 1.00 0.00 N ATOM 635 CA PRO A 43 6.989 -6.662 -1.233 1.00 0.00 C ATOM 636 C PRO A 43 6.300 -7.472 -2.333 1.00 0.00 C ATOM 637 O PRO A 43 6.850 -7.641 -3.420 1.00 0.00 O ATOM 638 CB PRO A 43 7.386 -5.266 -1.683 1.00 0.00 C ATOM 639 CG PRO A 43 8.881 -5.322 -1.947 1.00 0.00 C ATOM 640 CD PRO A 43 9.415 -6.606 -1.333 1.00 0.00 C ATOM 0 HA PRO A 43 6.256 -6.613 -0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.841 -4.976 -2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.152 -4.527 -0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.081 -5.299 -3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.378 -4.455 -1.512 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.936 -7.213 -2.074 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.127 -6.397 -0.534 1.00 0.00 H new ATOM 648 N VAL A 44 5.107 -7.951 -2.012 1.00 0.00 N ATOM 649 CA VAL A 44 4.338 -8.739 -2.960 1.00 0.00 C ATOM 650 C VAL A 44 3.246 -7.863 -3.578 1.00 0.00 C ATOM 651 O VAL A 44 2.923 -6.802 -3.047 1.00 0.00 O ATOM 652 CB VAL A 44 3.784 -9.989 -2.273 1.00 0.00 C ATOM 653 CG1 VAL A 44 3.158 -10.943 -3.293 1.00 0.00 C ATOM 654 CG2 VAL A 44 4.871 -10.694 -1.459 1.00 0.00 C ATOM 0 H VAL A 44 4.654 -7.809 -1.109 1.00 0.00 H new ATOM 0 HA VAL A 44 4.975 -9.086 -3.773 1.00 0.00 H new ATOM 0 HB VAL A 44 3.001 -9.673 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.772 -11.823 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.342 -10.438 -3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.913 -11.248 -4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.451 -11.579 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.686 -10.990 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.252 -10.015 -0.696 1.00 0.00 H new ATOM 664 N LYS A 45 2.708 -8.340 -4.690 1.00 0.00 N ATOM 665 CA LYS A 45 1.659 -7.614 -5.386 1.00 0.00 C ATOM 666 C LYS A 45 0.440 -7.486 -4.470 1.00 0.00 C ATOM 667 O LYS A 45 0.185 -8.362 -3.644 1.00 0.00 O ATOM 668 CB LYS A 45 1.352 -8.274 -6.731 1.00 0.00 C ATOM 669 CG LYS A 45 2.314 -7.784 -7.815 1.00 0.00 C ATOM 670 CD LYS A 45 2.750 -8.936 -8.723 1.00 0.00 C ATOM 671 CE LYS A 45 3.141 -8.423 -10.110 1.00 0.00 C ATOM 672 NZ LYS A 45 4.421 -9.026 -10.544 1.00 0.00 N ATOM 0 H LYS A 45 2.979 -9.221 -5.127 1.00 0.00 H new ATOM 0 HA LYS A 45 1.988 -6.602 -5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.429 -9.357 -6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.326 -8.052 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.832 -7.009 -8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.190 -7.330 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.594 -9.459 -8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.939 -9.659 -8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.357 -8.664 -10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.232 -7.337 -10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.672 -8.667 -11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.170 -8.775 -9.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.322 -10.061 -10.582 1.00 0.00 H new ATOM 686 N VAL A 46 -0.282 -6.389 -4.648 1.00 0.00 N ATOM 687 CA VAL A 46 -1.468 -6.136 -3.848 1.00 0.00 C ATOM 688 C VAL A 46 -2.687 -6.043 -4.768 1.00 0.00 C ATOM 689 O VAL A 46 -2.834 -5.076 -5.514 1.00 0.00 O ATOM 690 CB VAL A 46 -1.266 -4.883 -2.994 1.00 0.00 C ATOM 691 CG1 VAL A 46 -2.554 -4.506 -2.260 1.00 0.00 C ATOM 692 CG2 VAL A 46 -0.109 -5.070 -2.011 1.00 0.00 C ATOM 0 H VAL A 46 -0.068 -5.666 -5.335 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.645 -6.959 -3.156 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.008 -4.061 -3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.383 -3.612 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.343 -4.310 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.856 -5.327 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.013 -4.165 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.324 -5.911 -1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.810 -5.268 -2.564 1.00 0.00 H new ATOM 702 N PRO A 47 -3.553 -7.088 -4.682 1.00 0.00 N ATOM 703 CA PRO A 47 -4.755 -7.133 -5.498 1.00 0.00 C ATOM 704 C PRO A 47 -5.815 -6.166 -4.966 1.00 0.00 C ATOM 705 O PRO A 47 -6.859 -6.593 -4.474 1.00 0.00 O ATOM 706 CB PRO A 47 -5.203 -8.585 -5.459 1.00 0.00 C ATOM 707 CG PRO A 47 -4.509 -9.203 -4.256 1.00 0.00 C ATOM 708 CD PRO A 47 -3.412 -8.250 -3.810 1.00 0.00 C ATOM 0 HA PRO A 47 -4.579 -6.812 -6.525 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.287 -8.657 -5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.928 -9.103 -6.378 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.222 -9.370 -3.448 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.088 -10.175 -4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.529 -7.975 -2.762 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.427 -8.705 -3.912 1.00 0.00 H new ATOM 716 N TYR A 48 -5.510 -4.882 -5.082 1.00 0.00 N ATOM 717 CA TYR A 48 -6.424 -3.851 -4.619 1.00 0.00 C ATOM 718 C TYR A 48 -7.848 -4.121 -5.108 1.00 0.00 C ATOM 719 O TYR A 48 -8.813 -3.874 -4.386 1.00 0.00 O ATOM 720 CB TYR A 48 -5.927 -2.540 -5.232 1.00 0.00 C ATOM 721 CG TYR A 48 -4.443 -2.260 -4.984 1.00 0.00 C ATOM 722 CD1 TYR A 48 -3.992 -2.017 -3.703 1.00 0.00 C ATOM 723 CD2 TYR A 48 -3.557 -2.251 -6.041 1.00 0.00 C ATOM 724 CE1 TYR A 48 -2.596 -1.754 -3.469 1.00 0.00 C ATOM 725 CE2 TYR A 48 -2.160 -1.987 -5.808 1.00 0.00 C ATOM 726 CZ TYR A 48 -1.749 -1.752 -4.533 1.00 0.00 C ATOM 727 OH TYR A 48 -0.430 -1.503 -4.312 1.00 0.00 O ATOM 0 H TYR A 48 -4.643 -4.532 -5.490 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.448 -3.821 -3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.107 -2.562 -6.307 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.514 -1.716 -4.827 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.686 -2.024 -2.876 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.911 -2.442 -7.043 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.230 -1.563 -2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.456 -1.976 -6.627 1.00 0.00 H new ATOM 0 HH TYR A 48 0.056 -1.534 -5.163 1.00 0.00 H new ATOM 737 N ARG A 49 -7.935 -4.624 -6.330 1.00 0.00 N ATOM 738 CA ARG A 49 -9.225 -4.930 -6.924 1.00 0.00 C ATOM 739 C ARG A 49 -10.011 -5.886 -6.023 1.00 0.00 C ATOM 740 O ARG A 49 -11.049 -5.516 -5.475 1.00 0.00 O ATOM 741 CB ARG A 49 -9.059 -5.565 -8.306 1.00 0.00 C ATOM 742 CG ARG A 49 -10.419 -5.819 -8.960 1.00 0.00 C ATOM 743 CD ARG A 49 -10.410 -5.392 -10.429 1.00 0.00 C ATOM 744 NE ARG A 49 -10.662 -6.563 -11.298 1.00 0.00 N ATOM 745 CZ ARG A 49 -10.493 -6.563 -12.627 1.00 0.00 C ATOM 746 NH1 ARG A 49 -10.070 -5.453 -13.248 1.00 0.00 N ATOM 747 NH2 ARG A 49 -10.746 -7.672 -13.335 1.00 0.00 N ATOM 0 H ARG A 49 -7.132 -4.828 -6.926 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.771 -3.993 -7.030 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.462 -4.911 -8.942 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.514 -6.505 -8.215 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.670 -6.877 -8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.193 -5.270 -8.423 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.172 -4.631 -10.600 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.449 -4.943 -10.680 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.985 -7.424 -10.857 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.877 -4.609 -12.709 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.941 -5.452 -14.260 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.067 -8.517 -12.862 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.617 -7.672 -14.347 1.00 0.00 H new ATOM 761 N LYS A 50 -9.486 -7.096 -5.897 1.00 0.00 N ATOM 762 CA LYS A 50 -10.125 -8.107 -5.072 1.00 0.00 C ATOM 763 C LYS A 50 -10.541 -7.482 -3.739 1.00 0.00 C ATOM 764 O LYS A 50 -11.697 -7.589 -3.333 1.00 0.00 O ATOM 765 CB LYS A 50 -9.216 -9.328 -4.922 1.00 0.00 C ATOM 766 CG LYS A 50 -8.959 -9.990 -6.277 1.00 0.00 C ATOM 767 CD LYS A 50 -9.208 -11.498 -6.206 1.00 0.00 C ATOM 768 CE LYS A 50 -8.504 -12.225 -7.354 1.00 0.00 C ATOM 769 NZ LYS A 50 -8.962 -13.629 -7.438 1.00 0.00 N ATOM 0 H LYS A 50 -8.625 -7.399 -6.353 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.034 -8.472 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.269 -9.028 -4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.675 -10.047 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.608 -9.546 -7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.932 -9.802 -6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.850 -11.885 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.279 -11.696 -6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.707 -11.713 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.425 -12.197 -7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.474 -14.107 -8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.746 -14.119 -6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.988 -13.650 -7.605 1.00 0.00 H new ATOM 783 N ILE A 51 -9.576 -6.843 -3.094 1.00 0.00 N ATOM 784 CA ILE A 51 -9.828 -6.202 -1.815 1.00 0.00 C ATOM 785 C ILE A 51 -10.955 -5.180 -1.975 1.00 0.00 C ATOM 786 O ILE A 51 -11.751 -4.980 -1.059 1.00 0.00 O ATOM 787 CB ILE A 51 -8.536 -5.609 -1.249 1.00 0.00 C ATOM 788 CG1 ILE A 51 -7.700 -6.683 -0.550 1.00 0.00 C ATOM 789 CG2 ILE A 51 -8.834 -4.425 -0.327 1.00 0.00 C ATOM 790 CD1 ILE A 51 -6.287 -6.745 -1.135 1.00 0.00 C ATOM 0 H ILE A 51 -8.618 -6.756 -3.434 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.163 -6.935 -1.081 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.942 -5.229 -2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.646 -6.470 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.185 -7.653 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.899 -4.022 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.358 -3.650 -0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.458 -4.758 0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.714 -7.516 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.343 -6.982 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.796 -5.780 -1.004 1.00 0.00 H new ATOM 802 N THR A 52 -10.986 -4.560 -3.146 1.00 0.00 N ATOM 803 CA THR A 52 -12.002 -3.563 -3.438 1.00 0.00 C ATOM 804 C THR A 52 -13.390 -4.207 -3.460 1.00 0.00 C ATOM 805 O THR A 52 -14.238 -3.893 -2.627 1.00 0.00 O ATOM 806 CB THR A 52 -11.629 -2.878 -4.754 1.00 0.00 C ATOM 807 OG1 THR A 52 -11.400 -1.521 -4.386 1.00 0.00 O ATOM 808 CG2 THR A 52 -12.804 -2.807 -5.731 1.00 0.00 C ATOM 0 H THR A 52 -10.324 -4.729 -3.903 1.00 0.00 H new ATOM 0 HA THR A 52 -12.044 -2.801 -2.659 1.00 0.00 H new ATOM 0 HB THR A 52 -10.802 -3.414 -5.220 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.151 -1.004 -5.180 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.485 -2.312 -6.648 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.146 -3.816 -5.963 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.620 -2.243 -5.279 1.00 0.00 H new ATOM 816 N ILE A 53 -13.579 -5.097 -4.424 1.00 0.00 N ATOM 817 CA ILE A 53 -14.849 -5.788 -4.567 1.00 0.00 C ATOM 818 C ILE A 53 -15.259 -6.376 -3.215 1.00 0.00 C ATOM 819 O ILE A 53 -16.446 -6.551 -2.944 1.00 0.00 O ATOM 820 CB ILE A 53 -14.773 -6.823 -5.690 1.00 0.00 C ATOM 821 CG1 ILE A 53 -13.669 -7.847 -5.418 1.00 0.00 C ATOM 822 CG2 ILE A 53 -14.602 -6.144 -7.051 1.00 0.00 C ATOM 823 CD1 ILE A 53 -13.521 -8.818 -6.592 1.00 0.00 C ATOM 0 H ILE A 53 -12.873 -5.355 -5.114 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.632 -5.089 -4.862 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.717 -7.367 -5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.724 -7.332 -5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.899 -8.402 -4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.551 -6.902 -7.832 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.451 -5.487 -7.239 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.682 -5.559 -7.053 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.730 -9.535 -6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.460 -9.349 -6.745 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.267 -8.262 -7.494 1.00 0.00 H new ATOM 835 N ASN A 54 -14.253 -6.665 -2.402 1.00 0.00 N ATOM 836 CA ASN A 54 -14.494 -7.230 -1.085 1.00 0.00 C ATOM 837 C ASN A 54 -13.164 -7.682 -0.478 1.00 0.00 C ATOM 838 O ASN A 54 -12.340 -8.288 -1.161 1.00 0.00 O ATOM 839 CB ASN A 54 -15.414 -8.450 -1.169 1.00 0.00 C ATOM 840 CG ASN A 54 -15.087 -9.300 -2.398 1.00 0.00 C ATOM 841 OD1 ASN A 54 -15.861 -9.409 -3.335 1.00 0.00 O ATOM 842 ND2 ASN A 54 -13.899 -9.895 -2.343 1.00 0.00 N ATOM 0 H ASN A 54 -13.270 -6.518 -2.630 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.966 -6.464 -0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.308 -9.053 -0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.453 -8.124 -1.214 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.588 -10.484 -3.115 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.299 -9.762 -1.529 1.00 0.00 H new ATOM 849 N PRO A 55 -12.993 -7.362 0.833 1.00 0.00 N ATOM 850 CA PRO A 55 -11.777 -7.728 1.540 1.00 0.00 C ATOM 851 C PRO A 55 -11.763 -9.223 1.867 1.00 0.00 C ATOM 852 O PRO A 55 -10.829 -9.934 1.498 1.00 0.00 O ATOM 853 CB PRO A 55 -11.763 -6.848 2.779 1.00 0.00 C ATOM 854 CG PRO A 55 -13.190 -6.359 2.959 1.00 0.00 C ATOM 855 CD PRO A 55 -13.948 -6.645 1.673 1.00 0.00 C ATOM 0 HA PRO A 55 -10.878 -7.568 0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.429 -7.408 3.652 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.076 -6.011 2.656 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.663 -6.864 3.801 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.203 -5.292 3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -14.838 -7.245 1.863 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.281 -5.723 1.196 1.00 0.00 H new ATOM 863 N GLY A 56 -12.808 -9.655 2.557 1.00 0.00 N ATOM 864 CA GLY A 56 -12.928 -11.052 2.938 1.00 0.00 C ATOM 865 C GLY A 56 -11.549 -11.694 3.106 1.00 0.00 C ATOM 866 O GLY A 56 -11.005 -11.726 4.208 1.00 0.00 O ATOM 0 H GLY A 56 -13.580 -9.062 2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.486 -11.132 3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.495 -11.592 2.180 1.00 0.00 H new ATOM 870 N CYS A 57 -11.024 -12.190 1.995 1.00 0.00 N ATOM 871 CA CYS A 57 -9.719 -12.830 2.005 1.00 0.00 C ATOM 872 C CYS A 57 -8.722 -11.876 2.666 1.00 0.00 C ATOM 873 O CYS A 57 -8.443 -11.993 3.859 1.00 0.00 O ATOM 874 CB CYS A 57 -9.276 -13.232 0.597 1.00 0.00 C ATOM 875 SG CYS A 57 -10.097 -14.792 0.105 1.00 0.00 S ATOM 0 H CYS A 57 -11.478 -12.162 1.082 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.769 -13.756 2.578 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.525 -12.441 -0.111 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.193 -13.356 0.569 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.518 -15.793 0.699 1.00 0.00 H new ATOM 881 N VAL A 58 -8.211 -10.955 1.863 1.00 0.00 N ATOM 882 CA VAL A 58 -7.251 -9.982 2.355 1.00 0.00 C ATOM 883 C VAL A 58 -7.990 -8.711 2.779 1.00 0.00 C ATOM 884 O VAL A 58 -8.888 -8.248 2.077 1.00 0.00 O ATOM 885 CB VAL A 58 -6.177 -9.724 1.296 1.00 0.00 C ATOM 886 CG1 VAL A 58 -5.398 -8.444 1.605 1.00 0.00 C ATOM 887 CG2 VAL A 58 -5.235 -10.922 1.167 1.00 0.00 C ATOM 0 H VAL A 58 -8.444 -10.862 0.874 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.735 -10.367 3.235 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.678 -9.588 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.641 -8.284 0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.083 -7.596 1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.914 -8.538 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.481 -10.712 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.745 -11.105 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.806 -11.804 0.877 1.00 0.00 H new ATOM 897 N VAL A 59 -7.585 -8.184 3.925 1.00 0.00 N ATOM 898 CA VAL A 59 -8.198 -6.976 4.451 1.00 0.00 C ATOM 899 C VAL A 59 -7.154 -5.859 4.500 1.00 0.00 C ATOM 900 O VAL A 59 -5.963 -6.110 4.325 1.00 0.00 O ATOM 901 CB VAL A 59 -8.832 -7.261 5.814 1.00 0.00 C ATOM 902 CG1 VAL A 59 -9.566 -6.029 6.346 1.00 0.00 C ATOM 903 CG2 VAL A 59 -9.770 -8.468 5.741 1.00 0.00 C ATOM 0 H VAL A 59 -6.840 -8.571 4.504 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.003 -6.641 3.797 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.030 -7.501 6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.007 -6.259 7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.862 -5.204 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.353 -5.745 5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.207 -8.649 6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.564 -8.269 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.208 -9.347 5.427 1.00 0.00 H new ATOM 913 N VAL A 60 -7.639 -4.649 4.738 1.00 0.00 N ATOM 914 CA VAL A 60 -6.762 -3.493 4.812 1.00 0.00 C ATOM 915 C VAL A 60 -7.221 -2.582 5.952 1.00 0.00 C ATOM 916 O VAL A 60 -8.389 -2.198 6.013 1.00 0.00 O ATOM 917 CB VAL A 60 -6.719 -2.781 3.458 1.00 0.00 C ATOM 918 CG1 VAL A 60 -5.997 -1.436 3.568 1.00 0.00 C ATOM 919 CG2 VAL A 60 -6.069 -3.667 2.394 1.00 0.00 C ATOM 0 H VAL A 60 -8.628 -4.444 4.882 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.741 -3.802 5.034 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.746 -2.585 3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.981 -0.951 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.521 -0.799 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.975 -1.599 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.051 -3.138 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.049 -3.908 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.643 -4.587 2.287 1.00 0.00 H new ATOM 929 N ASP A 61 -6.280 -2.262 6.827 1.00 0.00 N ATOM 930 CA ASP A 61 -6.573 -1.403 7.962 1.00 0.00 C ATOM 931 C ASP A 61 -5.571 -0.248 7.995 1.00 0.00 C ATOM 932 O ASP A 61 -4.694 -0.158 7.137 1.00 0.00 O ATOM 933 CB ASP A 61 -6.453 -2.171 9.280 1.00 0.00 C ATOM 934 CG ASP A 61 -7.740 -2.849 9.753 1.00 0.00 C ATOM 935 OD1 ASP A 61 -8.569 -3.169 8.874 1.00 0.00 O ATOM 936 OD2 ASP A 61 -7.866 -3.031 10.983 1.00 0.00 O ATOM 0 H ASP A 61 -5.313 -2.582 6.773 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.593 -1.035 7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.679 -2.931 9.171 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.117 -1.482 10.055 1.00 0.00 H new ATOM 941 N GLY A 62 -5.734 0.607 8.994 1.00 0.00 N ATOM 942 CA GLY A 62 -4.854 1.753 9.149 1.00 0.00 C ATOM 943 C GLY A 62 -5.263 2.890 8.210 1.00 0.00 C ATOM 944 O GLY A 62 -4.709 3.986 8.280 1.00 0.00 O ATOM 0 H GLY A 62 -6.462 0.529 9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.883 2.101 10.181 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.826 1.457 8.941 1.00 0.00 H new ATOM 948 N MET A 63 -6.228 2.589 7.354 1.00 0.00 N ATOM 949 CA MET A 63 -6.716 3.572 6.402 1.00 0.00 C ATOM 950 C MET A 63 -7.225 4.824 7.119 1.00 0.00 C ATOM 951 O MET A 63 -7.804 4.733 8.200 1.00 0.00 O ATOM 952 CB MET A 63 -7.850 2.962 5.574 1.00 0.00 C ATOM 953 CG MET A 63 -7.327 2.424 4.241 1.00 0.00 C ATOM 954 SD MET A 63 -8.094 3.299 2.887 1.00 0.00 S ATOM 955 CE MET A 63 -6.649 3.698 1.918 1.00 0.00 C ATOM 0 H MET A 63 -6.685 1.679 7.300 1.00 0.00 H new ATOM 0 HA MET A 63 -5.891 3.859 5.750 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.322 2.156 6.136 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.617 3.715 5.391 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.244 2.539 4.193 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.538 1.358 4.162 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.907 4.450 1.173 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.869 4.088 2.572 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.287 2.800 1.417 1.00 0.00 H new ATOM 965 N PRO A 64 -6.983 5.995 6.471 1.00 0.00 N ATOM 966 CA PRO A 64 -7.410 7.265 7.035 1.00 0.00 C ATOM 967 C PRO A 64 -8.921 7.452 6.883 1.00 0.00 C ATOM 968 O PRO A 64 -9.574 6.701 6.159 1.00 0.00 O ATOM 969 CB PRO A 64 -6.604 8.317 6.292 1.00 0.00 C ATOM 970 CG PRO A 64 -6.102 7.640 5.027 1.00 0.00 C ATOM 971 CD PRO A 64 -6.301 6.142 5.189 1.00 0.00 C ATOM 0 HA PRO A 64 -7.231 7.330 8.108 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.220 9.184 6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.773 8.674 6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.647 8.005 4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.049 7.870 4.863 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.897 5.731 4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.348 5.613 5.185 1.00 0.00 H new ATOM 979 N PRO A 65 -9.447 8.484 7.596 1.00 0.00 N ATOM 980 CA PRO A 65 -10.869 8.779 7.548 1.00 0.00 C ATOM 981 C PRO A 65 -11.243 9.455 6.228 1.00 0.00 C ATOM 982 O PRO A 65 -10.513 10.315 5.737 1.00 0.00 O ATOM 983 CB PRO A 65 -11.129 9.658 8.760 1.00 0.00 C ATOM 984 CG PRO A 65 -9.774 10.203 9.179 1.00 0.00 C ATOM 985 CD PRO A 65 -8.704 9.393 8.464 1.00 0.00 C ATOM 0 HA PRO A 65 -11.487 7.882 7.584 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.817 10.468 8.515 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.586 9.085 9.567 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.690 11.258 8.920 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.650 10.129 10.259 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.039 10.036 7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.082 8.845 9.172 1.00 0.00 H new ATOM 993 N GLY A 66 -12.381 9.041 5.690 1.00 0.00 N ATOM 994 CA GLY A 66 -12.862 9.596 4.436 1.00 0.00 C ATOM 995 C GLY A 66 -11.910 9.259 3.287 1.00 0.00 C ATOM 996 O GLY A 66 -11.807 10.013 2.320 1.00 0.00 O ATOM 0 H GLY A 66 -12.984 8.328 6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.855 9.203 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.960 10.678 4.527 1.00 0.00 H new ATOM 1000 N VAL A 67 -11.237 8.127 3.430 1.00 0.00 N ATOM 1001 CA VAL A 67 -10.296 7.682 2.416 1.00 0.00 C ATOM 1002 C VAL A 67 -10.480 6.182 2.180 1.00 0.00 C ATOM 1003 O VAL A 67 -10.459 5.393 3.123 1.00 0.00 O ATOM 1004 CB VAL A 67 -8.869 8.051 2.828 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -7.868 7.673 1.734 1.00 0.00 C ATOM 1006 CG2 VAL A 67 -8.766 9.538 3.175 1.00 0.00 C ATOM 0 H VAL A 67 -11.325 7.504 4.233 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.488 8.187 1.469 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.620 7.480 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.862 7.946 2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.913 6.599 1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.115 8.205 0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.742 9.774 3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.044 10.134 2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.438 9.766 4.002 1.00 0.00 H new ATOM 1016 N SER A 68 -10.658 5.832 0.914 1.00 0.00 N ATOM 1017 CA SER A 68 -10.846 4.441 0.541 1.00 0.00 C ATOM 1018 C SER A 68 -9.523 3.846 0.054 1.00 0.00 C ATOM 1019 O SER A 68 -8.631 4.575 -0.377 1.00 0.00 O ATOM 1020 CB SER A 68 -11.920 4.300 -0.539 1.00 0.00 C ATOM 1021 OG SER A 68 -13.138 4.941 -0.168 1.00 0.00 O ATOM 0 H SER A 68 -10.676 6.489 0.134 1.00 0.00 H new ATOM 0 HA SER A 68 -11.181 3.894 1.422 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.554 4.729 -1.472 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.109 3.243 -0.726 1.00 0.00 H new ATOM 0 HG SER A 68 -13.798 4.830 -0.884 1.00 0.00 H new ATOM 1027 N PHE A 69 -9.437 2.526 0.140 1.00 0.00 N ATOM 1028 CA PHE A 69 -8.238 1.825 -0.286 1.00 0.00 C ATOM 1029 C PHE A 69 -8.382 1.314 -1.721 1.00 0.00 C ATOM 1030 O PHE A 69 -9.430 0.789 -2.094 1.00 0.00 O ATOM 1031 CB PHE A 69 -8.061 0.630 0.653 1.00 0.00 C ATOM 1032 CG PHE A 69 -6.949 -0.333 0.232 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -5.647 0.051 0.322 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -7.262 -1.572 -0.233 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -4.615 -0.843 -0.068 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -6.230 -2.465 -0.624 1.00 0.00 C ATOM 1037 CZ PHE A 69 -4.928 -2.082 -0.533 1.00 0.00 C ATOM 0 H PHE A 69 -10.178 1.924 0.498 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.382 2.499 -0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.848 0.998 1.657 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.001 0.081 0.707 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.398 1.035 0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.296 -1.877 -0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.581 -0.539 0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.479 -3.449 -0.994 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.143 -2.762 -0.830 1.00 0.00 H new ATOM 1047 N LYS A 70 -7.315 1.485 -2.487 1.00 0.00 N ATOM 1048 CA LYS A 70 -7.309 1.048 -3.872 1.00 0.00 C ATOM 1049 C LYS A 70 -5.921 1.281 -4.471 1.00 0.00 C ATOM 1050 O LYS A 70 -4.975 1.594 -3.750 1.00 0.00 O ATOM 1051 CB LYS A 70 -8.437 1.726 -4.652 1.00 0.00 C ATOM 1052 CG LYS A 70 -8.188 3.230 -4.782 1.00 0.00 C ATOM 1053 CD LYS A 70 -9.385 3.931 -5.427 1.00 0.00 C ATOM 1054 CE LYS A 70 -10.657 3.709 -4.606 1.00 0.00 C ATOM 1055 NZ LYS A 70 -11.562 2.763 -5.298 1.00 0.00 N ATOM 0 H LYS A 70 -6.448 1.921 -2.174 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.507 -0.022 -3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.517 1.280 -5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.388 1.554 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.999 3.657 -3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.294 3.404 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.184 4.999 -5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.530 3.553 -6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.398 3.320 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.166 4.660 -4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.413 2.610 -4.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.837 3.157 -6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.073 1.856 -5.441 1.00 0.00 H new ATOM 1069 N ALA A 71 -5.843 1.120 -5.784 1.00 0.00 N ATOM 1070 CA ALA A 71 -4.586 1.310 -6.487 1.00 0.00 C ATOM 1071 C ALA A 71 -4.220 2.795 -6.479 1.00 0.00 C ATOM 1072 O ALA A 71 -5.098 3.654 -6.407 1.00 0.00 O ATOM 1073 CB ALA A 71 -4.704 0.747 -7.905 1.00 0.00 C ATOM 0 H ALA A 71 -6.630 0.860 -6.379 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.782 0.770 -5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.761 0.889 -8.433 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.935 -0.317 -7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.500 1.267 -8.438 1.00 0.00 H new ATOM 1079 N PRO A 72 -2.888 3.060 -6.555 1.00 0.00 N ATOM 1080 CA PRO A 72 -2.396 4.427 -6.557 1.00 0.00 C ATOM 1081 C PRO A 72 -2.642 5.097 -7.910 1.00 0.00 C ATOM 1082 O PRO A 72 -2.333 6.274 -8.090 1.00 0.00 O ATOM 1083 CB PRO A 72 -0.920 4.314 -6.210 1.00 0.00 C ATOM 1084 CG PRO A 72 -0.538 2.868 -6.482 1.00 0.00 C ATOM 1085 CD PRO A 72 -1.820 2.068 -6.642 1.00 0.00 C ATOM 0 HA PRO A 72 -2.914 5.061 -5.837 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.323 4.996 -6.815 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.743 4.575 -5.167 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.071 2.797 -7.383 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.060 2.471 -5.662 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.843 1.544 -7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.916 1.313 -5.862 1.00 0.00 H new ATOM 1093 N SER A 73 -3.196 4.318 -8.828 1.00 0.00 N ATOM 1094 CA SER A 73 -3.487 4.821 -10.160 1.00 0.00 C ATOM 1095 C SER A 73 -4.744 5.692 -10.127 1.00 0.00 C ATOM 1096 O SER A 73 -4.858 6.653 -10.887 1.00 0.00 O ATOM 1097 CB SER A 73 -3.663 3.673 -11.156 1.00 0.00 C ATOM 1098 OG SER A 73 -3.366 4.074 -12.491 1.00 0.00 O ATOM 0 H SER A 73 -3.451 3.342 -8.675 1.00 0.00 H new ATOM 0 HA SER A 73 -2.642 5.426 -10.489 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.013 2.845 -10.873 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.688 3.305 -11.108 1.00 0.00 H new ATOM 0 HG SER A 73 -3.489 3.313 -13.096 1.00 0.00 H new ATOM 1104 N TYR A 74 -5.656 5.326 -9.238 1.00 0.00 N ATOM 1105 CA TYR A 74 -6.901 6.063 -9.096 1.00 0.00 C ATOM 1106 C TYR A 74 -6.785 7.129 -8.006 1.00 0.00 C ATOM 1107 O TYR A 74 -7.295 8.238 -8.160 1.00 0.00 O ATOM 1108 CB TYR A 74 -7.954 5.035 -8.678 1.00 0.00 C ATOM 1109 CG TYR A 74 -8.106 3.867 -9.656 1.00 0.00 C ATOM 1110 CD1 TYR A 74 -8.077 4.098 -11.016 1.00 0.00 C ATOM 1111 CD2 TYR A 74 -8.273 2.584 -9.177 1.00 0.00 C ATOM 1112 CE1 TYR A 74 -8.221 3.000 -11.936 1.00 0.00 C ATOM 1113 CE2 TYR A 74 -8.417 1.485 -10.097 1.00 0.00 C ATOM 1114 CZ TYR A 74 -8.384 1.747 -11.431 1.00 0.00 C ATOM 1115 OH TYR A 74 -8.519 0.710 -12.300 1.00 0.00 O ATOM 0 H TYR A 74 -5.558 4.529 -8.609 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.157 6.568 -10.027 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.693 4.641 -7.696 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.916 5.537 -8.575 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.946 5.103 -11.390 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.296 2.404 -8.112 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.200 3.167 -13.003 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.548 0.476 -9.736 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.626 -0.125 -11.799 1.00 0.00 H new ATOM 1125 N LEU A 75 -6.112 6.757 -6.927 1.00 0.00 N ATOM 1126 CA LEU A 75 -5.923 7.667 -5.811 1.00 0.00 C ATOM 1127 C LEU A 75 -5.169 8.909 -6.293 1.00 0.00 C ATOM 1128 O LEU A 75 -4.306 8.816 -7.165 1.00 0.00 O ATOM 1129 CB LEU A 75 -5.242 6.950 -4.643 1.00 0.00 C ATOM 1130 CG LEU A 75 -5.991 5.746 -4.067 1.00 0.00 C ATOM 1131 CD1 LEU A 75 -5.111 4.972 -3.085 1.00 0.00 C ATOM 1132 CD2 LEU A 75 -7.316 6.176 -3.434 1.00 0.00 C ATOM 0 H LEU A 75 -5.691 5.837 -6.802 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.886 8.006 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.257 6.617 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.084 7.672 -3.842 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.231 5.069 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.667 4.122 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.219 4.615 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.819 5.627 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.828 5.302 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.122 6.884 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.944 6.649 -4.189 1.00 0.00 H new ATOM 1144 N GLU A 76 -5.523 10.042 -5.705 1.00 0.00 N ATOM 1145 CA GLU A 76 -4.891 11.300 -6.063 1.00 0.00 C ATOM 1146 C GLU A 76 -3.719 11.592 -5.124 1.00 0.00 C ATOM 1147 O GLU A 76 -3.453 10.825 -4.201 1.00 0.00 O ATOM 1148 CB GLU A 76 -5.905 12.446 -6.049 1.00 0.00 C ATOM 1149 CG GLU A 76 -6.683 12.507 -7.365 1.00 0.00 C ATOM 1150 CD GLU A 76 -6.482 13.856 -8.059 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -6.518 14.876 -7.338 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -6.296 13.835 -9.295 1.00 0.00 O ATOM 0 H GLU A 76 -6.240 10.115 -4.983 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.504 11.214 -7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.598 12.313 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.388 13.391 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.354 11.703 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.744 12.348 -7.172 1.00 0.00 H new ATOM 1159 N ILE A 77 -3.050 12.704 -5.393 1.00 0.00 N ATOM 1160 CA ILE A 77 -1.913 13.107 -4.583 1.00 0.00 C ATOM 1161 C ILE A 77 -2.333 13.160 -3.113 1.00 0.00 C ATOM 1162 O ILE A 77 -1.850 12.375 -2.297 1.00 0.00 O ATOM 1163 CB ILE A 77 -1.325 14.421 -5.102 1.00 0.00 C ATOM 1164 CG1 ILE A 77 -0.842 14.272 -6.546 1.00 0.00 C ATOM 1165 CG2 ILE A 77 -0.217 14.929 -4.177 1.00 0.00 C ATOM 1166 CD1 ILE A 77 0.150 15.379 -6.909 1.00 0.00 C ATOM 0 H ILE A 77 -3.274 13.338 -6.160 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.111 12.373 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.114 15.173 -5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.370 13.298 -6.677 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.695 14.306 -7.224 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.184 15.864 -4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.624 15.098 -3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.580 14.187 -4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.478 15.250 -7.940 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.333 16.350 -6.801 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.013 15.327 -6.245 1.00 0.00 H new ATOM 1178 N SER A 78 -3.226 14.093 -2.818 1.00 0.00 N ATOM 1179 CA SER A 78 -3.716 14.258 -1.460 1.00 0.00 C ATOM 1180 C SER A 78 -4.010 12.891 -0.840 1.00 0.00 C ATOM 1181 O SER A 78 -3.663 12.641 0.314 1.00 0.00 O ATOM 1182 CB SER A 78 -4.970 15.135 -1.430 1.00 0.00 C ATOM 1183 OG SER A 78 -4.650 16.523 -1.437 1.00 0.00 O ATOM 0 H SER A 78 -3.623 14.743 -3.496 1.00 0.00 H new ATOM 0 HA SER A 78 -2.943 14.756 -0.875 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.596 14.903 -2.292 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.554 14.902 -0.540 1.00 0.00 H new ATOM 0 HG SER A 78 -5.476 17.049 -1.419 1.00 0.00 H new ATOM 1189 N SER A 79 -4.645 12.040 -1.633 1.00 0.00 N ATOM 1190 CA SER A 79 -4.989 10.705 -1.176 1.00 0.00 C ATOM 1191 C SER A 79 -3.722 9.946 -0.775 1.00 0.00 C ATOM 1192 O SER A 79 -3.516 9.653 0.401 1.00 0.00 O ATOM 1193 CB SER A 79 -5.751 9.932 -2.255 1.00 0.00 C ATOM 1194 OG SER A 79 -7.129 10.292 -2.296 1.00 0.00 O ATOM 0 H SER A 79 -4.930 12.250 -2.590 1.00 0.00 H new ATOM 0 HA SER A 79 -5.640 10.799 -0.306 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.297 10.124 -3.227 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.661 8.862 -2.067 1.00 0.00 H new ATOM 0 HG SER A 79 -7.580 9.779 -2.998 1.00 0.00 H new ATOM 1200 N MET A 80 -2.906 9.651 -1.776 1.00 0.00 N ATOM 1201 CA MET A 80 -1.665 8.932 -1.543 1.00 0.00 C ATOM 1202 C MET A 80 -0.952 9.460 -0.296 1.00 0.00 C ATOM 1203 O MET A 80 -0.495 8.681 0.539 1.00 0.00 O ATOM 1204 CB MET A 80 -0.749 9.087 -2.759 1.00 0.00 C ATOM 1205 CG MET A 80 -1.328 8.364 -3.977 1.00 0.00 C ATOM 1206 SD MET A 80 -0.128 8.338 -5.299 1.00 0.00 S ATOM 1207 CE MET A 80 -0.650 9.777 -6.218 1.00 0.00 C ATOM 0 H MET A 80 -3.080 9.897 -2.751 1.00 0.00 H new ATOM 0 HA MET A 80 -1.900 7.879 -1.386 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.618 10.145 -2.988 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.238 8.686 -2.529 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.606 7.345 -3.707 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.237 8.865 -4.310 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.279 9.710 -7.241 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.739 9.826 -6.230 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.252 10.675 -5.745 1.00 0.00 H new ATOM 1217 N ARG A 81 -0.878 10.780 -0.210 1.00 0.00 N ATOM 1218 CA ARG A 81 -0.228 11.421 0.921 1.00 0.00 C ATOM 1219 C ARG A 81 -0.774 10.859 2.235 1.00 0.00 C ATOM 1220 O ARG A 81 -0.058 10.180 2.969 1.00 0.00 O ATOM 1221 CB ARG A 81 -0.443 12.935 0.893 1.00 0.00 C ATOM 1222 CG ARG A 81 -0.172 13.502 -0.502 1.00 0.00 C ATOM 1223 CD ARG A 81 0.889 14.604 -0.450 1.00 0.00 C ATOM 1224 NE ARG A 81 0.385 15.824 -1.119 1.00 0.00 N ATOM 1225 CZ ARG A 81 -0.573 16.615 -0.618 1.00 0.00 C ATOM 1226 NH1 ARG A 81 -1.138 16.319 0.560 1.00 0.00 N ATOM 1227 NH2 ARG A 81 -0.967 17.702 -1.296 1.00 0.00 N ATOM 0 H ARG A 81 -1.257 11.423 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 81 0.840 11.216 0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.466 13.166 1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.216 13.413 1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.161 12.703 -1.165 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.095 13.901 -0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.144 14.826 0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.803 14.264 -0.937 1.00 0.00 H new ATOM 0 HE ARG A 81 0.793 16.079 -2.019 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.839 15.491 1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.867 16.921 0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.537 17.927 -2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.696 18.304 -0.915 1.00 0.00 H new ATOM 1241 N ARG A 82 -2.038 11.163 2.492 1.00 0.00 N ATOM 1242 CA ARG A 82 -2.688 10.697 3.705 1.00 0.00 C ATOM 1243 C ARG A 82 -2.228 9.277 4.042 1.00 0.00 C ATOM 1244 O ARG A 82 -1.587 9.055 5.068 1.00 0.00 O ATOM 1245 CB ARG A 82 -4.210 10.710 3.554 1.00 0.00 C ATOM 1246 CG ARG A 82 -4.734 12.139 3.399 1.00 0.00 C ATOM 1247 CD ARG A 82 -6.212 12.142 3.003 1.00 0.00 C ATOM 1248 NE ARG A 82 -6.965 13.080 3.864 1.00 0.00 N ATOM 1249 CZ ARG A 82 -8.173 13.574 3.560 1.00 0.00 C ATOM 1250 NH1 ARG A 82 -8.772 13.222 2.414 1.00 0.00 N ATOM 1251 NH2 ARG A 82 -8.782 14.420 4.402 1.00 0.00 N ATOM 0 H ARG A 82 -2.629 11.726 1.881 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.408 11.374 4.512 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.498 10.117 2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.669 10.243 4.425 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.604 12.681 4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.150 12.664 2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.316 12.432 1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.624 11.137 3.098 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.538 13.369 4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.308 12.578 1.773 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.692 13.598 2.183 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.326 14.688 5.274 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.701 14.796 4.171 1.00 0.00 H new ATOM 1265 N ILE A 83 -2.572 8.352 3.158 1.00 0.00 N ATOM 1266 CA ILE A 83 -2.203 6.960 3.348 1.00 0.00 C ATOM 1267 C ILE A 83 -0.778 6.886 3.901 1.00 0.00 C ATOM 1268 O ILE A 83 -0.538 6.252 4.926 1.00 0.00 O ATOM 1269 CB ILE A 83 -2.402 6.171 2.053 1.00 0.00 C ATOM 1270 CG1 ILE A 83 -3.881 6.121 1.663 1.00 0.00 C ATOM 1271 CG2 ILE A 83 -1.791 4.772 2.164 1.00 0.00 C ATOM 1272 CD1 ILE A 83 -4.072 6.499 0.193 1.00 0.00 C ATOM 0 H ILE A 83 -3.103 8.540 2.308 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.856 6.490 4.083 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.875 6.690 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.274 5.120 1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.451 6.802 2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.946 4.232 1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.722 4.856 2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.269 4.230 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.132 6.456 -0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.700 7.510 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.520 5.801 -0.437 1.00 0.00 H new ATOM 1284 N LEU A 84 0.131 7.544 3.195 1.00 0.00 N ATOM 1285 CA LEU A 84 1.526 7.562 3.602 1.00 0.00 C ATOM 1286 C LEU A 84 1.636 8.159 5.006 1.00 0.00 C ATOM 1287 O LEU A 84 2.300 7.595 5.875 1.00 0.00 O ATOM 1288 CB LEU A 84 2.379 8.283 2.558 1.00 0.00 C ATOM 1289 CG LEU A 84 2.588 7.544 1.235 1.00 0.00 C ATOM 1290 CD1 LEU A 84 3.227 8.461 0.189 1.00 0.00 C ATOM 1291 CD2 LEU A 84 3.397 6.262 1.444 1.00 0.00 C ATOM 0 H LEU A 84 -0.072 8.068 2.344 1.00 0.00 H new ATOM 0 HA LEU A 84 1.920 6.547 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.917 9.247 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.356 8.488 2.995 1.00 0.00 H new ATOM 0 HG LEU A 84 1.611 7.249 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.365 7.911 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.578 9.318 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.195 8.808 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.531 5.756 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.372 6.511 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.865 5.604 2.131 1.00 0.00 H new ATOM 1303 N ASP A 85 0.974 9.293 5.185 1.00 0.00 N ATOM 1304 CA ASP A 85 0.990 9.974 6.469 1.00 0.00 C ATOM 1305 C ASP A 85 0.658 8.971 7.577 1.00 0.00 C ATOM 1306 O ASP A 85 1.023 9.176 8.734 1.00 0.00 O ATOM 1307 CB ASP A 85 -0.056 11.090 6.514 1.00 0.00 C ATOM 1308 CG ASP A 85 0.223 12.196 7.533 1.00 0.00 C ATOM 1309 OD1 ASP A 85 1.282 12.109 8.191 1.00 0.00 O ATOM 1310 OD2 ASP A 85 -0.630 13.105 7.631 1.00 0.00 O ATOM 0 H ASP A 85 0.423 9.757 4.463 1.00 0.00 H new ATOM 0 HA ASP A 85 1.982 10.403 6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.129 11.539 5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.027 10.648 6.736 1.00 0.00 H new ATOM 1315 N SER A 86 -0.029 7.909 7.183 1.00 0.00 N ATOM 1316 CA SER A 86 -0.414 6.874 8.128 1.00 0.00 C ATOM 1317 C SER A 86 0.206 5.536 7.720 1.00 0.00 C ATOM 1318 O SER A 86 -0.297 4.477 8.091 1.00 0.00 O ATOM 1319 CB SER A 86 -1.936 6.749 8.218 1.00 0.00 C ATOM 1320 OG SER A 86 -2.437 7.216 9.468 1.00 0.00 O ATOM 0 H SER A 86 -0.329 7.743 6.222 1.00 0.00 H new ATOM 0 HA SER A 86 -0.041 7.154 9.113 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.395 7.317 7.409 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.223 5.707 8.079 1.00 0.00 H new ATOM 0 HG SER A 86 -2.170 6.597 10.179 1.00 0.00 H new ATOM 1326 N ALA A 87 1.289 5.629 6.962 1.00 0.00 N ATOM 1327 CA ALA A 87 1.982 4.439 6.499 1.00 0.00 C ATOM 1328 C ALA A 87 2.237 3.508 7.687 1.00 0.00 C ATOM 1329 O ALA A 87 2.290 2.290 7.525 1.00 0.00 O ATOM 1330 CB ALA A 87 3.275 4.845 5.789 1.00 0.00 C ATOM 0 H ALA A 87 1.703 6.510 6.657 1.00 0.00 H new ATOM 0 HA ALA A 87 1.371 3.895 5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.795 3.952 5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.038 5.482 4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.915 5.391 6.482 1.00 0.00 H new ATOM 1336 N GLU A 88 2.388 4.118 8.853 1.00 0.00 N ATOM 1337 CA GLU A 88 2.636 3.359 10.067 1.00 0.00 C ATOM 1338 C GLU A 88 1.355 2.663 10.530 1.00 0.00 C ATOM 1339 O GLU A 88 1.410 1.616 11.172 1.00 0.00 O ATOM 1340 CB GLU A 88 3.201 4.258 11.170 1.00 0.00 C ATOM 1341 CG GLU A 88 4.156 5.302 10.590 1.00 0.00 C ATOM 1342 CD GLU A 88 5.587 5.070 11.082 1.00 0.00 C ATOM 1343 OE1 GLU A 88 6.222 4.130 10.556 1.00 0.00 O ATOM 1344 OE2 GLU A 88 6.012 5.836 11.973 1.00 0.00 O ATOM 0 H GLU A 88 2.343 5.129 8.983 1.00 0.00 H new ATOM 0 HA GLU A 88 3.382 2.595 9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.384 4.757 11.692 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.725 3.650 11.907 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.130 5.258 9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.826 6.301 10.877 1.00 0.00 H new ATOM 1351 N PHE A 89 0.231 3.273 10.184 1.00 0.00 N ATOM 1352 CA PHE A 89 -1.063 2.725 10.556 1.00 0.00 C ATOM 1353 C PHE A 89 -1.505 1.644 9.568 1.00 0.00 C ATOM 1354 O PHE A 89 -2.073 0.629 9.966 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.067 3.879 10.514 1.00 0.00 C ATOM 1356 CG PHE A 89 -1.867 4.918 11.619 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -0.792 5.751 11.584 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -2.764 5.009 12.637 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -0.607 6.715 12.610 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -2.579 5.973 13.663 1.00 0.00 C ATOM 1361 CZ PHE A 89 -1.504 6.806 13.628 1.00 0.00 C ATOM 0 H PHE A 89 0.189 4.141 9.650 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.005 2.273 11.546 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.995 4.375 9.546 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.076 3.473 10.590 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.079 5.679 10.776 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.617 4.348 12.665 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.246 7.376 12.582 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.292 6.045 14.471 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.363 7.539 14.408 1.00 0.00 H new ATOM 1371 N ILE A 90 -1.227 1.900 8.297 1.00 0.00 N ATOM 1372 CA ILE A 90 -1.589 0.961 7.249 1.00 0.00 C ATOM 1373 C ILE A 90 -1.303 -0.464 7.725 1.00 0.00 C ATOM 1374 O ILE A 90 -0.280 -0.717 8.360 1.00 0.00 O ATOM 1375 CB ILE A 90 -0.887 1.325 5.939 1.00 0.00 C ATOM 1376 CG1 ILE A 90 -1.122 2.793 5.579 1.00 0.00 C ATOM 1377 CG2 ILE A 90 -1.311 0.383 4.810 1.00 0.00 C ATOM 1378 CD1 ILE A 90 -2.593 3.173 5.762 1.00 0.00 C ATOM 0 H ILE A 90 -0.756 2.744 7.970 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.657 1.018 7.038 1.00 0.00 H new ATOM 0 HB ILE A 90 0.186 1.197 6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.497 3.429 6.206 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.822 2.970 4.546 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.798 0.663 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.049 -0.642 5.074 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.388 0.455 4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.733 4.222 5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.213 2.551 5.116 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.882 3.017 6.801 1.00 0.00 H new ATOM 1390 N LYS A 91 -2.226 -1.358 7.401 1.00 0.00 N ATOM 1391 CA LYS A 91 -2.086 -2.752 7.788 1.00 0.00 C ATOM 1392 C LYS A 91 -2.841 -3.632 6.791 1.00 0.00 C ATOM 1393 O LYS A 91 -3.730 -3.156 6.087 1.00 0.00 O ATOM 1394 CB LYS A 91 -2.524 -2.951 9.240 1.00 0.00 C ATOM 1395 CG LYS A 91 -1.752 -4.100 9.894 1.00 0.00 C ATOM 1396 CD LYS A 91 -1.835 -4.018 11.419 1.00 0.00 C ATOM 1397 CE LYS A 91 -2.864 -5.009 11.967 1.00 0.00 C ATOM 1398 NZ LYS A 91 -2.759 -5.103 13.440 1.00 0.00 N ATOM 0 H LYS A 91 -3.073 -1.144 6.875 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.040 -3.055 7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.360 -2.032 9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.593 -3.160 9.276 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.156 -5.054 9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.709 -4.067 9.581 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.857 -4.228 11.852 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.105 -3.005 11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.868 -4.691 11.688 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.705 -5.991 11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.464 -5.780 13.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.806 -5.427 13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.933 -4.168 13.861 1.00 0.00 H new ATOM 1412 N PHE A 92 -2.460 -4.901 6.763 1.00 0.00 N ATOM 1413 CA PHE A 92 -3.090 -5.852 5.863 1.00 0.00 C ATOM 1414 C PHE A 92 -3.269 -7.212 6.541 1.00 0.00 C ATOM 1415 O PHE A 92 -2.291 -7.850 6.927 1.00 0.00 O ATOM 1416 CB PHE A 92 -2.160 -6.013 4.659 1.00 0.00 C ATOM 1417 CG PHE A 92 -2.254 -4.874 3.643 1.00 0.00 C ATOM 1418 CD1 PHE A 92 -1.780 -3.639 3.959 1.00 0.00 C ATOM 1419 CD2 PHE A 92 -2.812 -5.096 2.422 1.00 0.00 C ATOM 1420 CE1 PHE A 92 -1.868 -2.582 3.016 1.00 0.00 C ATOM 1421 CE2 PHE A 92 -2.899 -4.038 1.479 1.00 0.00 C ATOM 1422 CZ PHE A 92 -2.425 -2.803 1.796 1.00 0.00 C ATOM 0 H PHE A 92 -1.723 -5.293 7.349 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.075 -5.490 5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.132 -6.085 5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.391 -6.953 4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.337 -3.463 4.928 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.189 -6.076 2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.492 -1.601 3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.342 -4.214 0.510 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.491 -1.998 1.079 1.00 0.00 H new ATOM 1432 N THR A 93 -4.525 -7.615 6.665 1.00 0.00 N ATOM 1433 CA THR A 93 -4.844 -8.887 7.290 1.00 0.00 C ATOM 1434 C THR A 93 -5.276 -9.906 6.233 1.00 0.00 C ATOM 1435 O THR A 93 -6.098 -9.601 5.371 1.00 0.00 O ATOM 1436 CB THR A 93 -5.907 -8.635 8.360 1.00 0.00 C ATOM 1437 OG1 THR A 93 -5.301 -7.687 9.235 1.00 0.00 O ATOM 1438 CG2 THR A 93 -6.148 -9.859 9.247 1.00 0.00 C ATOM 0 H THR A 93 -5.334 -7.083 6.343 1.00 0.00 H new ATOM 0 HA THR A 93 -3.969 -9.319 7.776 1.00 0.00 H new ATOM 0 HB THR A 93 -6.842 -8.344 7.881 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.923 -7.465 9.959 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.911 -9.626 9.989 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.483 -10.694 8.632 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.221 -10.130 9.753 1.00 0.00 H new ATOM 1446 N VAL A 94 -4.702 -11.096 6.335 1.00 0.00 N ATOM 1447 CA VAL A 94 -5.017 -12.162 5.399 1.00 0.00 C ATOM 1448 C VAL A 94 -5.790 -13.263 6.128 1.00 0.00 C ATOM 1449 O VAL A 94 -5.200 -14.236 6.595 1.00 0.00 O ATOM 1450 CB VAL A 94 -3.736 -12.671 4.735 1.00 0.00 C ATOM 1451 CG1 VAL A 94 -4.019 -13.899 3.868 1.00 0.00 C ATOM 1452 CG2 VAL A 94 -3.066 -11.564 3.917 1.00 0.00 C ATOM 0 H VAL A 94 -4.020 -11.345 7.052 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.657 -11.790 4.599 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.045 -12.970 5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.092 -14.241 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.431 -14.695 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.736 -13.637 3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.158 -11.952 3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.750 -11.221 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.813 -10.730 4.572 1.00 0.00 H new ATOM 1462 N ILE A 95 -7.099 -13.072 6.203 1.00 0.00 N ATOM 1463 CA ILE A 95 -7.959 -14.037 6.867 1.00 0.00 C ATOM 1464 C ILE A 95 -7.929 -15.357 6.094 1.00 0.00 C ATOM 1465 O ILE A 95 -7.732 -16.420 6.681 1.00 0.00 O ATOM 1466 CB ILE A 95 -9.366 -13.464 7.050 1.00 0.00 C ATOM 1467 CG1 ILE A 95 -9.364 -12.320 8.066 1.00 0.00 C ATOM 1468 CG2 ILE A 95 -10.361 -14.563 7.427 1.00 0.00 C ATOM 1469 CD1 ILE A 95 -8.658 -11.086 7.500 1.00 0.00 C ATOM 0 H ILE A 95 -7.585 -12.263 5.815 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.592 -14.247 7.872 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.692 -13.048 6.097 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.389 -12.066 8.335 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.865 -12.642 8.980 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.353 -14.129 7.551 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -10.390 -15.314 6.638 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.050 -15.030 8.361 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.670 -10.287 8.242 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.626 -11.338 7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.174 -10.753 6.599 1.00 0.00 H new ATOM 1481 N ARG A 96 -8.127 -15.247 4.789 1.00 0.00 N ATOM 1482 CA ARG A 96 -8.125 -16.419 3.930 1.00 0.00 C ATOM 1483 C ARG A 96 -7.612 -16.054 2.535 1.00 0.00 C ATOM 1484 O ARG A 96 -8.013 -15.039 1.968 1.00 0.00 O ATOM 1485 CB ARG A 96 -9.529 -17.016 3.809 1.00 0.00 C ATOM 1486 CG ARG A 96 -10.572 -15.921 3.577 1.00 0.00 C ATOM 1487 CD ARG A 96 -11.976 -16.419 3.925 1.00 0.00 C ATOM 1488 NE ARG A 96 -12.412 -15.843 5.216 1.00 0.00 N ATOM 1489 CZ ARG A 96 -13.390 -16.355 5.976 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -14.039 -17.458 5.578 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -13.718 -15.765 7.133 1.00 0.00 N ATOM 0 H ARG A 96 -8.290 -14.364 4.305 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.465 -17.160 4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.555 -17.729 2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.772 -17.569 4.716 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.330 -15.049 4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.543 -15.601 2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.676 -16.139 3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.981 -17.507 3.983 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.938 -15.003 5.549 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.788 -17.907 4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.783 -17.848 6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.223 -14.926 7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -14.462 -16.155 7.711 1.00 0.00 H new