USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 569 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 165:sc= -0.0537 (180deg=-0.131) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0571 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.533 K(o=0.53,f=-0.013) USER MOD Single : A 27 SER OG : rot 93:sc= 0.116 USER MOD Single : A 31 ASN : amide:sc= -0.0104 K(o=-0.01,f=-0.95) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 164:sc=-0.00928 (180deg=-0.133) USER MOD Single : A 43 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.091) USER MOD Single : A 46 GLN : amide:sc= 0.529 K(o=0.53,f=-1.8!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0826 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0572 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot -150:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.95! C(o=-1.9!,f=-1.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0642 USER MOD Single : A 71 THR OG1 : rot -156:sc= 0.237 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 84:sc= 0.554 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= -0.189 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.251 -0.043 -5.594 1.00 0.00 N ATOM 183 CA LYS A 16 -9.610 0.083 -6.996 1.00 0.00 C ATOM 184 C LYS A 16 -8.478 -0.535 -7.817 1.00 0.00 C ATOM 185 O LYS A 16 -7.383 -0.759 -7.295 1.00 0.00 O ATOM 186 CB LYS A 16 -9.753 1.586 -7.298 1.00 0.00 C ATOM 187 CG LYS A 16 -10.943 2.260 -6.619 1.00 0.00 C ATOM 188 CD LYS A 16 -12.300 2.095 -7.309 1.00 0.00 C ATOM 189 CE LYS A 16 -13.236 3.113 -6.643 1.00 0.00 C ATOM 190 NZ LYS A 16 -14.440 3.428 -7.439 1.00 0.00 N ATOM 0 HA LYS A 16 -10.544 -0.424 -7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.839 2.094 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.843 1.720 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.025 1.869 -5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.730 3.326 -6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.219 2.281 -8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.678 1.080 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.545 2.727 -5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.683 4.034 -6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.023 4.121 -6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.155 3.826 -8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.990 2.559 -7.594 1.00 0.00 H new ATOM 204 N PRO A 17 -8.701 -0.846 -9.098 1.00 0.00 N ATOM 205 CA PRO A 17 -7.656 -1.415 -9.933 1.00 0.00 C ATOM 206 C PRO A 17 -6.526 -0.401 -10.105 1.00 0.00 C ATOM 207 O PRO A 17 -6.726 0.671 -10.674 1.00 0.00 O ATOM 208 CB PRO A 17 -8.321 -1.764 -11.254 1.00 0.00 C ATOM 209 CG PRO A 17 -9.559 -0.863 -11.301 1.00 0.00 C ATOM 210 CD PRO A 17 -9.937 -0.661 -9.843 1.00 0.00 C ATOM 0 HA PRO A 17 -7.206 -2.305 -9.493 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.657 -1.573 -12.097 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.594 -2.818 -11.296 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.341 0.086 -11.790 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.369 -1.331 -11.860 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.351 0.334 -9.678 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.696 -1.378 -9.530 1.00 0.00 H new ATOM 218 N MET A 18 -5.355 -0.758 -9.582 1.00 0.00 N ATOM 219 CA MET A 18 -4.151 0.046 -9.616 1.00 0.00 C ATOM 220 C MET A 18 -3.545 -0.107 -10.994 1.00 0.00 C ATOM 221 O MET A 18 -3.107 -1.204 -11.363 1.00 0.00 O ATOM 222 CB MET A 18 -3.162 -0.397 -8.538 1.00 0.00 C ATOM 223 CG MET A 18 -3.692 -0.123 -7.125 1.00 0.00 C ATOM 224 SD MET A 18 -3.657 1.620 -6.633 1.00 0.00 S ATOM 225 CE MET A 18 -2.152 1.652 -5.629 1.00 0.00 C ATOM 0 H MET A 18 -5.221 -1.650 -9.106 1.00 0.00 H new ATOM 0 HA MET A 18 -4.390 1.090 -9.415 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.958 -1.462 -8.649 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.215 0.125 -8.678 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.718 -0.485 -7.059 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.104 -0.700 -6.412 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.841 2.685 -5.472 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.347 1.182 -4.665 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.360 1.109 -6.144 1.00 0.00 H new ATOM 235 N SER A 19 -3.582 0.985 -11.737 1.00 0.00 N ATOM 236 CA SER A 19 -3.071 1.088 -13.090 1.00 0.00 C ATOM 237 C SER A 19 -1.542 1.068 -13.094 1.00 0.00 C ATOM 238 O SER A 19 -0.898 1.139 -12.044 1.00 0.00 O ATOM 239 CB SER A 19 -3.626 2.367 -13.726 1.00 0.00 C ATOM 240 OG SER A 19 -5.037 2.371 -13.611 1.00 0.00 O ATOM 0 H SER A 19 -3.985 1.859 -11.399 1.00 0.00 H new ATOM 0 HA SER A 19 -3.397 0.231 -13.679 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.207 3.244 -13.233 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.335 2.422 -14.775 1.00 0.00 H new ATOM 0 HG SER A 19 -5.396 3.188 -14.015 1.00 0.00 H new ATOM 246 N TYR A 20 -0.954 0.940 -14.281 1.00 0.00 N ATOM 247 CA TYR A 20 0.490 0.910 -14.482 1.00 0.00 C ATOM 248 C TYR A 20 1.123 2.193 -13.949 1.00 0.00 C ATOM 249 O TYR A 20 2.172 2.183 -13.305 1.00 0.00 O ATOM 250 CB TYR A 20 0.754 0.752 -15.979 1.00 0.00 C ATOM 251 CG TYR A 20 2.204 0.904 -16.366 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.174 0.099 -15.748 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.581 1.836 -17.350 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.524 0.228 -16.094 1.00 0.00 C ATOM 255 CE2 TYR A 20 3.925 1.928 -17.750 1.00 0.00 C ATOM 256 CZ TYR A 20 4.897 1.124 -17.115 1.00 0.00 C ATOM 257 OH TYR A 20 6.200 1.205 -17.462 1.00 0.00 O ATOM 0 H TYR A 20 -1.482 0.852 -15.149 1.00 0.00 H new ATOM 0 HA TYR A 20 0.934 0.075 -13.939 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.405 -0.230 -16.297 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.164 1.491 -16.521 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.877 -0.623 -15.002 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.838 2.480 -17.797 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.275 -0.355 -15.582 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.213 2.609 -18.538 1.00 0.00 H new ATOM 0 HH TYR A 20 6.307 1.863 -18.180 1.00 0.00 H new ATOM 267 N GLU A 21 0.429 3.289 -14.207 1.00 0.00 N ATOM 268 CA GLU A 21 0.769 4.641 -13.850 1.00 0.00 C ATOM 269 C GLU A 21 0.740 4.788 -12.322 1.00 0.00 C ATOM 270 O GLU A 21 1.655 5.387 -11.764 1.00 0.00 O ATOM 271 CB GLU A 21 -0.198 5.573 -14.609 1.00 0.00 C ATOM 272 CG GLU A 21 -0.140 5.390 -16.153 1.00 0.00 C ATOM 273 CD GLU A 21 -0.819 4.123 -16.718 1.00 0.00 C ATOM 274 OE1 GLU A 21 -1.656 3.494 -16.040 1.00 0.00 O ATOM 275 OE2 GLU A 21 -0.499 3.701 -17.852 1.00 0.00 O ATOM 0 H GLU A 21 -0.456 3.244 -14.712 1.00 0.00 H new ATOM 0 HA GLU A 21 1.782 4.916 -14.143 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.216 5.387 -14.266 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.038 6.608 -14.363 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.601 6.261 -16.618 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.907 5.382 -16.457 1.00 0.00 H new ATOM 282 N GLU A 22 -0.272 4.223 -11.645 1.00 0.00 N ATOM 283 CA GLU A 22 -0.398 4.281 -10.183 1.00 0.00 C ATOM 284 C GLU A 22 0.783 3.526 -9.566 1.00 0.00 C ATOM 285 O GLU A 22 1.474 4.035 -8.688 1.00 0.00 O ATOM 286 CB GLU A 22 -1.715 3.632 -9.700 1.00 0.00 C ATOM 287 CG GLU A 22 -3.019 4.297 -10.169 1.00 0.00 C ATOM 288 CD GLU A 22 -3.358 5.582 -9.406 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.525 6.513 -9.405 1.00 0.00 O ATOM 290 OE2 GLU A 22 -4.480 5.705 -8.863 1.00 0.00 O ATOM 0 H GLU A 22 -1.028 3.711 -12.100 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.403 5.327 -9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.724 2.593 -10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.710 3.621 -8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.939 4.525 -11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.840 3.589 -10.056 1.00 0.00 H new ATOM 297 N LYS A 23 1.017 2.296 -10.041 1.00 0.00 N ATOM 298 CA LYS A 23 2.095 1.428 -9.583 1.00 0.00 C ATOM 299 C LYS A 23 3.440 2.152 -9.677 1.00 0.00 C ATOM 300 O LYS A 23 4.200 2.170 -8.711 1.00 0.00 O ATOM 301 CB LYS A 23 2.132 0.177 -10.463 1.00 0.00 C ATOM 302 CG LYS A 23 0.958 -0.790 -10.263 1.00 0.00 C ATOM 303 CD LYS A 23 0.875 -1.685 -11.497 1.00 0.00 C ATOM 304 CE LYS A 23 -0.146 -2.785 -11.288 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.282 -3.635 -12.491 1.00 0.00 N ATOM 0 H LYS A 23 0.445 1.872 -10.772 1.00 0.00 H new ATOM 0 HA LYS A 23 1.916 1.154 -8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.155 0.486 -11.508 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.061 -0.358 -10.269 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.106 -1.390 -9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.028 -0.238 -10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.603 -1.089 -12.368 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.852 -2.122 -11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.150 -3.400 -10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.112 -2.344 -11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.988 -4.377 -12.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.588 -3.051 -13.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.634 -4.075 -12.711 1.00 0.00 H new ATOM 319 N ARG A 24 3.753 2.717 -10.849 1.00 0.00 N ATOM 320 CA ARG A 24 5.009 3.422 -11.061 1.00 0.00 C ATOM 321 C ARG A 24 5.098 4.651 -10.171 1.00 0.00 C ATOM 322 O ARG A 24 6.125 4.800 -9.515 1.00 0.00 O ATOM 323 CB ARG A 24 5.220 3.750 -12.549 1.00 0.00 C ATOM 324 CG ARG A 24 5.580 2.515 -13.403 1.00 0.00 C ATOM 325 CD ARG A 24 6.921 1.875 -12.999 1.00 0.00 C ATOM 326 NE ARG A 24 7.253 0.681 -13.791 1.00 0.00 N ATOM 327 CZ ARG A 24 7.872 0.639 -14.978 1.00 0.00 C ATOM 328 NH1 ARG A 24 8.322 1.744 -15.557 1.00 0.00 N ATOM 329 NH2 ARG A 24 8.018 -0.530 -15.588 1.00 0.00 N ATOM 0 H ARG A 24 3.144 2.695 -11.667 1.00 0.00 H new ATOM 0 HA ARG A 24 5.827 2.763 -10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.312 4.205 -12.946 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.014 4.491 -12.641 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.787 1.773 -13.311 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.624 2.806 -14.453 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.717 2.611 -13.112 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.884 1.605 -11.944 1.00 0.00 H new ATOM 0 HE ARG A 24 6.981 -0.217 -13.391 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.199 2.647 -15.098 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.791 1.691 -16.461 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.661 -1.381 -15.153 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.487 -0.578 -16.492 1.00 0.00 H new ATOM 343 N GLN A 25 4.066 5.496 -10.099 1.00 0.00 N ATOM 344 CA GLN A 25 4.110 6.685 -9.252 1.00 0.00 C ATOM 345 C GLN A 25 4.459 6.309 -7.807 1.00 0.00 C ATOM 346 O GLN A 25 5.287 6.974 -7.184 1.00 0.00 O ATOM 347 CB GLN A 25 2.783 7.457 -9.330 1.00 0.00 C ATOM 348 CG GLN A 25 2.738 8.676 -8.390 1.00 0.00 C ATOM 349 CD GLN A 25 3.759 9.759 -8.740 1.00 0.00 C ATOM 350 OE1 GLN A 25 3.425 10.747 -9.399 1.00 0.00 O ATOM 351 NE2 GLN A 25 5.021 9.586 -8.374 1.00 0.00 N ATOM 0 H GLN A 25 3.195 5.377 -10.616 1.00 0.00 H new ATOM 0 HA GLN A 25 4.897 7.343 -9.620 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.623 7.790 -10.355 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.963 6.784 -9.082 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.738 9.109 -8.418 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.912 8.342 -7.367 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.286 8.765 -7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.727 10.273 -8.637 1.00 0.00 H new ATOM 360 N LEU A 26 3.853 5.241 -7.289 1.00 0.00 N ATOM 361 CA LEU A 26 4.084 4.743 -5.938 1.00 0.00 C ATOM 362 C LEU A 26 5.572 4.407 -5.763 1.00 0.00 C ATOM 363 O LEU A 26 6.200 4.785 -4.776 1.00 0.00 O ATOM 364 CB LEU A 26 3.178 3.513 -5.755 1.00 0.00 C ATOM 365 CG LEU A 26 2.772 3.199 -4.313 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.703 2.097 -4.363 1.00 0.00 C ATOM 367 CD2 LEU A 26 3.922 2.770 -3.404 1.00 0.00 C ATOM 0 H LEU A 26 3.173 4.687 -7.810 1.00 0.00 H new ATOM 0 HA LEU A 26 3.841 5.485 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.273 3.660 -6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.689 2.643 -6.167 1.00 0.00 H new ATOM 0 HG LEU A 26 2.397 4.122 -3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.390 1.848 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.843 2.450 -4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.117 1.210 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.539 2.569 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.385 1.868 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.664 3.567 -3.355 1.00 0.00 H new ATOM 379 N SER A 27 6.138 3.712 -6.748 1.00 0.00 N ATOM 380 CA SER A 27 7.531 3.295 -6.787 1.00 0.00 C ATOM 381 C SER A 27 8.478 4.503 -6.714 1.00 0.00 C ATOM 382 O SER A 27 9.512 4.432 -6.036 1.00 0.00 O ATOM 383 CB SER A 27 7.734 2.475 -8.063 1.00 0.00 C ATOM 384 OG SER A 27 8.845 1.617 -7.970 1.00 0.00 O ATOM 0 H SER A 27 5.615 3.414 -7.571 1.00 0.00 H new ATOM 0 HA SER A 27 7.770 2.681 -5.919 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.838 1.887 -8.262 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.867 3.149 -8.909 1.00 0.00 H new ATOM 0 HG SER A 27 8.554 0.738 -7.649 1.00 0.00 H new ATOM 390 N LEU A 28 8.141 5.616 -7.381 1.00 0.00 N ATOM 391 CA LEU A 28 8.945 6.830 -7.379 1.00 0.00 C ATOM 392 C LEU A 28 9.029 7.420 -5.978 1.00 0.00 C ATOM 393 O LEU A 28 10.125 7.804 -5.565 1.00 0.00 O ATOM 394 CB LEU A 28 8.343 7.866 -8.344 1.00 0.00 C ATOM 395 CG LEU A 28 8.914 7.842 -9.765 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.311 8.470 -9.795 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.933 6.458 -10.420 1.00 0.00 C ATOM 0 H LEU A 28 7.292 5.692 -7.941 1.00 0.00 H new ATOM 0 HA LEU A 28 9.951 6.573 -7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.266 7.705 -8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.495 8.861 -7.925 1.00 0.00 H new ATOM 0 HG LEU A 28 8.226 8.438 -10.364 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.700 8.444 -10.813 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.252 9.504 -9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.976 7.910 -9.138 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.353 6.536 -11.423 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.544 5.781 -9.823 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.916 6.071 -10.481 1.00 0.00 H new ATOM 409 N ASP A 29 7.900 7.496 -5.269 1.00 0.00 N ATOM 410 CA ASP A 29 7.850 8.039 -3.906 1.00 0.00 C ATOM 411 C ASP A 29 8.575 7.111 -2.939 1.00 0.00 C ATOM 412 O ASP A 29 9.234 7.578 -2.010 1.00 0.00 O ATOM 413 CB ASP A 29 6.403 8.324 -3.452 1.00 0.00 C ATOM 414 CG ASP A 29 5.993 9.790 -3.656 1.00 0.00 C ATOM 415 OD1 ASP A 29 6.827 10.637 -4.066 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.802 10.100 -3.459 1.00 0.00 O ATOM 0 H ASP A 29 6.995 7.184 -5.621 1.00 0.00 H new ATOM 0 HA ASP A 29 8.367 8.999 -3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.720 7.680 -4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.300 8.066 -2.398 1.00 0.00 H new ATOM 421 N ILE A 30 8.521 5.795 -3.163 1.00 0.00 N ATOM 422 CA ILE A 30 9.213 4.826 -2.315 1.00 0.00 C ATOM 423 C ILE A 30 10.717 5.146 -2.357 1.00 0.00 C ATOM 424 O ILE A 30 11.386 5.109 -1.324 1.00 0.00 O ATOM 425 CB ILE A 30 8.842 3.386 -2.766 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.599 2.946 -1.962 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.988 2.367 -2.632 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.999 1.607 -2.394 1.00 0.00 C ATOM 0 H ILE A 30 7.999 5.375 -3.933 1.00 0.00 H new ATOM 0 HA ILE A 30 8.904 4.891 -1.272 1.00 0.00 H new ATOM 0 HB ILE A 30 8.630 3.410 -3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.868 2.885 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.834 3.717 -2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.646 1.388 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.832 2.686 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.299 2.305 -1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.131 1.380 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.694 1.665 -3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.744 0.820 -2.277 1.00 0.00 H new ATOM 440 N ASN A 31 11.244 5.521 -3.529 1.00 0.00 N ATOM 441 CA ASN A 31 12.655 5.858 -3.715 1.00 0.00 C ATOM 442 C ASN A 31 13.060 7.180 -3.041 1.00 0.00 C ATOM 443 O ASN A 31 14.216 7.595 -3.174 1.00 0.00 O ATOM 444 CB ASN A 31 13.022 5.847 -5.207 1.00 0.00 C ATOM 445 CG ASN A 31 13.048 4.449 -5.807 1.00 0.00 C ATOM 446 OD1 ASN A 31 13.125 3.437 -5.119 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.981 4.346 -7.118 1.00 0.00 N ATOM 0 H ASN A 31 10.693 5.599 -4.384 1.00 0.00 H new ATOM 0 HA ASN A 31 13.231 5.083 -3.210 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.305 6.458 -5.756 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.000 6.310 -5.337 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.993 3.426 -7.559 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.917 5.186 -7.693 1.00 0.00 H new ATOM 454 N LYS A 32 12.145 7.892 -2.376 1.00 0.00 N ATOM 455 CA LYS A 32 12.416 9.141 -1.654 1.00 0.00 C ATOM 456 C LYS A 32 12.633 8.856 -0.165 1.00 0.00 C ATOM 457 O LYS A 32 12.978 9.771 0.580 1.00 0.00 O ATOM 458 CB LYS A 32 11.231 10.112 -1.790 1.00 0.00 C ATOM 459 CG LYS A 32 10.863 10.438 -3.243 1.00 0.00 C ATOM 460 CD LYS A 32 11.962 11.193 -3.995 1.00 0.00 C ATOM 461 CE LYS A 32 12.125 12.596 -3.400 1.00 0.00 C ATOM 462 NZ LYS A 32 13.134 13.417 -4.094 1.00 0.00 N ATOM 0 H LYS A 32 11.167 7.608 -2.323 1.00 0.00 H new ATOM 0 HA LYS A 32 13.312 9.588 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.362 9.682 -1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.471 11.039 -1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.644 9.510 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.951 11.034 -3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.903 10.647 -3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.710 11.263 -5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.164 13.110 -3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.402 12.506 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.193 14.351 -3.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.060 12.947 -4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.862 13.532 -5.091 1.00 0.00 H new ATOM 476 N LEU A 33 12.368 7.629 0.288 1.00 0.00 N ATOM 477 CA LEU A 33 12.519 7.235 1.677 1.00 0.00 C ATOM 478 C LEU A 33 13.948 6.779 1.954 1.00 0.00 C ATOM 479 O LEU A 33 14.596 6.235 1.057 1.00 0.00 O ATOM 480 CB LEU A 33 11.600 6.031 1.969 1.00 0.00 C ATOM 481 CG LEU A 33 10.095 6.304 1.803 1.00 0.00 C ATOM 482 CD1 LEU A 33 9.337 4.971 1.850 1.00 0.00 C ATOM 483 CD2 LEU A 33 9.576 7.238 2.907 1.00 0.00 C ATOM 0 H LEU A 33 12.038 6.875 -0.314 1.00 0.00 H new ATOM 0 HA LEU A 33 12.267 8.094 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.880 5.211 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.782 5.694 2.989 1.00 0.00 H new ATOM 0 HG LEU A 33 9.931 6.795 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.269 5.155 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.684 4.326 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.518 4.483 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.510 7.413 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.741 6.777 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.109 8.188 2.861 1.00 0.00 H new ATOM 495 N PRO A 34 14.458 6.971 3.179 1.00 0.00 N ATOM 496 CA PRO A 34 15.786 6.504 3.547 1.00 0.00 C ATOM 497 C PRO A 34 15.701 4.979 3.717 1.00 0.00 C ATOM 498 O PRO A 34 14.608 4.446 3.943 1.00 0.00 O ATOM 499 CB PRO A 34 16.066 7.160 4.899 1.00 0.00 C ATOM 500 CG PRO A 34 14.680 7.283 5.516 1.00 0.00 C ATOM 501 CD PRO A 34 13.811 7.617 4.308 1.00 0.00 C ATOM 0 HA PRO A 34 16.559 6.742 2.816 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.728 6.550 5.514 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.544 8.133 4.784 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.367 6.357 5.998 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.641 8.066 6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.794 7.249 4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.743 8.695 4.158 1.00 0.00 H new ATOM 509 N GLY A 35 16.840 4.283 3.710 1.00 0.00 N ATOM 510 CA GLY A 35 16.865 2.832 3.873 1.00 0.00 C ATOM 511 C GLY A 35 16.163 2.406 5.163 1.00 0.00 C ATOM 512 O GLY A 35 15.321 1.507 5.157 1.00 0.00 O ATOM 0 H GLY A 35 17.761 4.706 3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.380 2.360 3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.898 2.483 3.886 1.00 0.00 H new ATOM 516 N GLU A 36 16.415 3.131 6.258 1.00 0.00 N ATOM 517 CA GLU A 36 15.814 2.860 7.560 1.00 0.00 C ATOM 518 C GLU A 36 14.285 2.910 7.540 1.00 0.00 C ATOM 519 O GLU A 36 13.662 2.332 8.432 1.00 0.00 O ATOM 520 CB GLU A 36 16.353 3.815 8.633 1.00 0.00 C ATOM 521 CG GLU A 36 16.169 5.300 8.298 1.00 0.00 C ATOM 522 CD GLU A 36 16.283 6.168 9.548 1.00 0.00 C ATOM 523 OE1 GLU A 36 17.348 6.117 10.193 1.00 0.00 O ATOM 524 OE2 GLU A 36 15.317 6.907 9.865 1.00 0.00 O ATOM 0 H GLU A 36 17.049 3.930 6.261 1.00 0.00 H new ATOM 0 HA GLU A 36 16.101 1.839 7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.853 3.602 9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.414 3.616 8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.920 5.607 7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.194 5.452 7.834 1.00 0.00 H new ATOM 531 N LYS A 37 13.659 3.593 6.573 1.00 0.00 N ATOM 532 CA LYS A 37 12.199 3.675 6.471 1.00 0.00 C ATOM 533 C LYS A 37 11.667 2.825 5.321 1.00 0.00 C ATOM 534 O LYS A 37 10.470 2.882 5.041 1.00 0.00 O ATOM 535 CB LYS A 37 11.697 5.111 6.378 1.00 0.00 C ATOM 536 CG LYS A 37 12.082 5.951 7.608 1.00 0.00 C ATOM 537 CD LYS A 37 11.439 7.344 7.591 1.00 0.00 C ATOM 538 CE LYS A 37 10.052 7.295 8.249 1.00 0.00 C ATOM 539 NZ LYS A 37 10.160 7.202 9.723 1.00 0.00 N ATOM 0 H LYS A 37 14.152 4.104 5.840 1.00 0.00 H new ATOM 0 HA LYS A 37 11.803 3.265 7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.105 5.578 5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.612 5.107 6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.778 5.425 8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.166 6.055 7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.076 8.053 8.120 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.350 7.699 6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.487 8.187 7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.496 6.438 7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.244 7.441 10.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.427 6.233 9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.885 7.867 10.061 1.00 0.00 H new ATOM 553 N LEU A 38 12.511 2.090 4.610 1.00 0.00 N ATOM 554 CA LEU A 38 12.093 1.230 3.509 1.00 0.00 C ATOM 555 C LEU A 38 11.672 -0.152 4.027 1.00 0.00 C ATOM 556 O LEU A 38 10.632 -0.640 3.604 1.00 0.00 O ATOM 557 CB LEU A 38 13.208 1.133 2.462 1.00 0.00 C ATOM 558 CG LEU A 38 12.838 0.294 1.221 1.00 0.00 C ATOM 559 CD1 LEU A 38 11.649 0.885 0.454 1.00 0.00 C ATOM 560 CD2 LEU A 38 14.046 0.219 0.284 1.00 0.00 C ATOM 0 H LEU A 38 13.516 2.073 4.782 1.00 0.00 H new ATOM 0 HA LEU A 38 11.221 1.671 3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.477 2.139 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.093 0.700 2.929 1.00 0.00 H new ATOM 0 HG LEU A 38 12.552 -0.699 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.427 0.260 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.778 0.924 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.897 1.892 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.789 -0.373 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.329 1.225 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.882 -0.248 0.805 1.00 0.00 H new ATOM 572 N GLY A 39 12.402 -0.761 4.967 1.00 0.00 N ATOM 573 CA GLY A 39 12.099 -2.087 5.525 1.00 0.00 C ATOM 574 C GLY A 39 10.631 -2.304 5.916 1.00 0.00 C ATOM 575 O GLY A 39 9.996 -3.275 5.496 1.00 0.00 O ATOM 0 H GLY A 39 13.238 -0.339 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.381 -2.845 4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.722 -2.245 6.406 1.00 0.00 H new ATOM 579 N ARG A 40 10.051 -1.387 6.695 1.00 0.00 N ATOM 580 CA ARG A 40 8.657 -1.452 7.146 1.00 0.00 C ATOM 581 C ARG A 40 7.668 -1.419 5.967 1.00 0.00 C ATOM 582 O ARG A 40 6.508 -1.791 6.158 1.00 0.00 O ATOM 583 CB ARG A 40 8.436 -0.384 8.243 1.00 0.00 C ATOM 584 CG ARG A 40 6.983 -0.062 8.621 1.00 0.00 C ATOM 585 CD ARG A 40 6.969 0.943 9.783 1.00 0.00 C ATOM 586 NE ARG A 40 5.675 1.614 10.011 1.00 0.00 N ATOM 587 CZ ARG A 40 4.621 1.087 10.643 1.00 0.00 C ATOM 588 NH1 ARG A 40 4.456 -0.228 10.695 1.00 0.00 N ATOM 589 NH2 ARG A 40 3.732 1.882 11.222 1.00 0.00 N ATOM 0 H ARG A 40 10.546 -0.563 7.037 1.00 0.00 H new ATOM 0 HA ARG A 40 8.447 -2.416 7.610 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.956 -0.711 9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.914 0.540 7.917 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.455 0.351 7.762 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.460 -0.974 8.908 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.258 0.423 10.697 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.727 1.703 9.595 1.00 0.00 H new ATOM 0 HE ARG A 40 5.576 2.565 9.655 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.136 -0.845 10.251 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.649 -0.622 11.179 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.853 2.894 11.185 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.927 1.481 11.704 1.00 0.00 H new ATOM 603 N VAL A 41 8.072 -0.999 4.758 1.00 0.00 N ATOM 604 CA VAL A 41 7.196 -0.983 3.589 1.00 0.00 C ATOM 605 C VAL A 41 6.907 -2.450 3.275 1.00 0.00 C ATOM 606 O VAL A 41 5.746 -2.816 3.124 1.00 0.00 O ATOM 607 CB VAL A 41 7.824 -0.250 2.373 1.00 0.00 C ATOM 608 CG1 VAL A 41 6.894 -0.275 1.151 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.121 1.228 2.675 1.00 0.00 C ATOM 0 H VAL A 41 9.016 -0.662 4.569 1.00 0.00 H new ATOM 0 HA VAL A 41 6.284 -0.425 3.800 1.00 0.00 H new ATOM 0 HB VAL A 41 8.750 -0.786 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.369 0.248 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.698 -1.308 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.954 0.217 1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.559 1.698 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.194 1.739 2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.820 1.296 3.508 1.00 0.00 H new ATOM 619 N VAL A 42 7.931 -3.309 3.243 1.00 0.00 N ATOM 620 CA VAL A 42 7.787 -4.730 2.948 1.00 0.00 C ATOM 621 C VAL A 42 6.837 -5.393 3.953 1.00 0.00 C ATOM 622 O VAL A 42 6.067 -6.283 3.594 1.00 0.00 O ATOM 623 CB VAL A 42 9.164 -5.429 2.935 1.00 0.00 C ATOM 624 CG1 VAL A 42 9.074 -6.738 2.141 1.00 0.00 C ATOM 625 CG2 VAL A 42 10.318 -4.600 2.344 1.00 0.00 C ATOM 0 H VAL A 42 8.895 -3.028 3.424 1.00 0.00 H new ATOM 0 HA VAL A 42 7.353 -4.835 1.954 1.00 0.00 H new ATOM 0 HB VAL A 42 9.400 -5.591 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.048 -7.227 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.340 -7.396 2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.770 -6.522 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.240 -5.181 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.091 -4.347 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.442 -3.685 2.923 1.00 0.00 H new ATOM 635 N HIS A 43 6.836 -4.938 5.213 1.00 0.00 N ATOM 636 CA HIS A 43 5.969 -5.492 6.249 1.00 0.00 C ATOM 637 C HIS A 43 4.483 -5.316 5.885 1.00 0.00 C ATOM 638 O HIS A 43 3.634 -6.070 6.377 1.00 0.00 O ATOM 639 CB HIS A 43 6.259 -4.837 7.609 1.00 0.00 C ATOM 640 CG HIS A 43 7.642 -5.005 8.203 1.00 0.00 C ATOM 641 ND1 HIS A 43 8.004 -4.570 9.463 1.00 0.00 N ATOM 642 CD2 HIS A 43 8.729 -5.649 7.665 1.00 0.00 C ATOM 643 CE1 HIS A 43 9.280 -4.930 9.678 1.00 0.00 C ATOM 644 NE2 HIS A 43 9.754 -5.603 8.618 1.00 0.00 N ATOM 0 H HIS A 43 7.435 -4.179 5.537 1.00 0.00 H new ATOM 0 HA HIS A 43 6.181 -6.559 6.320 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.066 -3.769 7.512 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.538 -5.228 8.327 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.783 -6.106 6.688 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.843 -4.710 10.573 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.686 -6.006 8.524 1.00 0.00 H new ATOM 652 N ILE A 44 4.146 -4.311 5.066 1.00 0.00 N ATOM 653 CA ILE A 44 2.784 -4.044 4.621 1.00 0.00 C ATOM 654 C ILE A 44 2.407 -5.143 3.630 1.00 0.00 C ATOM 655 O ILE A 44 1.327 -5.724 3.755 1.00 0.00 O ATOM 656 CB ILE A 44 2.673 -2.656 3.952 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.092 -1.512 4.899 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.245 -2.425 3.433 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.243 -0.148 4.213 1.00 0.00 C ATOM 0 H ILE A 44 4.829 -3.653 4.691 1.00 0.00 H new ATOM 0 HA ILE A 44 2.107 -4.039 5.475 1.00 0.00 H new ATOM 0 HB ILE A 44 3.367 -2.648 3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.352 -1.425 5.695 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.039 -1.775 5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.183 -1.443 2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.995 -3.193 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.543 -2.475 4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.539 0.599 4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.005 -0.214 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.292 0.141 3.765 1.00 0.00 H new ATOM 671 N ILE A 45 3.273 -5.420 2.644 1.00 0.00 N ATOM 672 CA ILE A 45 3.012 -6.454 1.653 1.00 0.00 C ATOM 673 C ILE A 45 2.855 -7.792 2.367 1.00 0.00 C ATOM 674 O ILE A 45 1.880 -8.488 2.108 1.00 0.00 O ATOM 675 CB ILE A 45 4.089 -6.535 0.552 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.173 -5.277 -0.339 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.728 -7.732 -0.333 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.327 -4.366 0.072 1.00 0.00 C ATOM 0 H ILE A 45 4.162 -4.935 2.518 1.00 0.00 H new ATOM 0 HA ILE A 45 2.089 -6.192 1.135 1.00 0.00 H new ATOM 0 HB ILE A 45 5.060 -6.630 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.299 -5.576 -1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.235 -4.725 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.465 -7.830 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.721 -8.641 0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.741 -7.578 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.351 -3.493 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.187 -4.045 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.268 -4.909 -0.015 1.00 0.00 H new ATOM 690 N GLN A 46 3.733 -8.126 3.314 1.00 0.00 N ATOM 691 CA GLN A 46 3.663 -9.382 4.056 1.00 0.00 C ATOM 692 C GLN A 46 2.300 -9.595 4.728 1.00 0.00 C ATOM 693 O GLN A 46 1.936 -10.731 5.031 1.00 0.00 O ATOM 694 CB GLN A 46 4.772 -9.398 5.104 1.00 0.00 C ATOM 695 CG GLN A 46 6.161 -9.584 4.478 1.00 0.00 C ATOM 696 CD GLN A 46 7.235 -9.629 5.558 1.00 0.00 C ATOM 697 OE1 GLN A 46 7.144 -8.919 6.562 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.231 -10.477 5.410 1.00 0.00 N ATOM 0 H GLN A 46 4.514 -7.530 3.587 1.00 0.00 H new ATOM 0 HA GLN A 46 3.794 -10.199 3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.751 -8.464 5.666 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.585 -10.203 5.815 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.183 -10.506 3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.367 -8.767 3.787 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.288 -11.055 4.572 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.946 -10.556 6.134 1.00 0.00 H new ATOM 707 N SER A 47 1.545 -8.525 5.003 1.00 0.00 N ATOM 708 CA SER A 47 0.224 -8.626 5.610 1.00 0.00 C ATOM 709 C SER A 47 -0.775 -9.194 4.598 1.00 0.00 C ATOM 710 O SER A 47 -1.798 -9.758 4.971 1.00 0.00 O ATOM 711 CB SER A 47 -0.228 -7.231 6.053 1.00 0.00 C ATOM 712 OG SER A 47 -1.189 -7.310 7.083 1.00 0.00 O ATOM 0 H SER A 47 1.838 -7.567 4.809 1.00 0.00 H new ATOM 0 HA SER A 47 0.269 -9.292 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.633 -6.659 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.646 -6.694 5.202 1.00 0.00 H new ATOM 0 HG SER A 47 -1.459 -6.406 7.348 1.00 0.00 H new ATOM 718 N ARG A 48 -0.505 -9.031 3.304 1.00 0.00 N ATOM 719 CA ARG A 48 -1.323 -9.481 2.191 1.00 0.00 C ATOM 720 C ARG A 48 -0.786 -10.754 1.556 1.00 0.00 C ATOM 721 O ARG A 48 -1.569 -11.532 1.004 1.00 0.00 O ATOM 722 CB ARG A 48 -1.427 -8.361 1.157 1.00 0.00 C ATOM 723 CG ARG A 48 -1.863 -6.992 1.704 1.00 0.00 C ATOM 724 CD ARG A 48 -3.271 -6.898 2.310 1.00 0.00 C ATOM 725 NE ARG A 48 -3.275 -7.054 3.775 1.00 0.00 N ATOM 726 CZ ARG A 48 -4.042 -7.865 4.516 1.00 0.00 C ATOM 727 NH1 ARG A 48 -4.893 -8.719 3.951 1.00 0.00 N ATOM 728 NH2 ARG A 48 -3.938 -7.836 5.840 1.00 0.00 N ATOM 0 H ARG A 48 0.340 -8.553 2.992 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.315 -9.721 2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.457 -8.247 0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.135 -8.667 0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -1.146 -6.688 2.466 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.794 -6.266 0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.709 -5.934 2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.904 -7.666 1.866 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.612 -6.473 4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.970 -8.765 2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.468 -9.327 4.534 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.278 -7.199 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.519 -8.450 6.411 1.00 0.00 H new ATOM 742 N GLU A 49 0.513 -11.003 1.675 1.00 0.00 N ATOM 743 CA GLU A 49 1.191 -12.160 1.118 1.00 0.00 C ATOM 744 C GLU A 49 1.674 -13.027 2.293 1.00 0.00 C ATOM 745 O GLU A 49 2.801 -12.850 2.767 1.00 0.00 O ATOM 746 CB GLU A 49 2.318 -11.703 0.169 1.00 0.00 C ATOM 747 CG GLU A 49 1.941 -10.552 -0.787 1.00 0.00 C ATOM 748 CD GLU A 49 0.591 -10.682 -1.499 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.277 -11.799 -1.964 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.189 -9.695 -1.563 1.00 0.00 O ATOM 0 H GLU A 49 1.143 -10.380 2.181 1.00 0.00 H new ATOM 0 HA GLU A 49 0.526 -12.769 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.173 -11.391 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.640 -12.558 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.942 -9.621 -0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.721 -10.465 -1.544 1.00 0.00 H new ATOM 757 N PRO A 50 0.842 -13.952 2.817 1.00 0.00 N ATOM 758 CA PRO A 50 1.220 -14.809 3.941 1.00 0.00 C ATOM 759 C PRO A 50 2.459 -15.633 3.597 1.00 0.00 C ATOM 760 O PRO A 50 3.334 -15.828 4.444 1.00 0.00 O ATOM 761 CB PRO A 50 -0.002 -15.688 4.234 1.00 0.00 C ATOM 762 CG PRO A 50 -0.793 -15.673 2.930 1.00 0.00 C ATOM 763 CD PRO A 50 -0.501 -14.285 2.369 1.00 0.00 C ATOM 0 HA PRO A 50 1.488 -14.229 4.824 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.292 -16.701 4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.590 -15.290 5.061 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.466 -16.460 2.250 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.859 -15.823 3.102 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.562 -14.282 1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.226 -13.556 2.731 1.00 0.00 H new ATOM 771 N SER A 51 2.582 -16.033 2.335 1.00 0.00 N ATOM 772 CA SER A 51 3.669 -16.810 1.772 1.00 0.00 C ATOM 773 C SER A 51 5.021 -16.087 1.878 1.00 0.00 C ATOM 774 O SER A 51 6.052 -16.751 1.815 1.00 0.00 O ATOM 775 CB SER A 51 3.315 -17.096 0.302 1.00 0.00 C ATOM 776 OG SER A 51 1.921 -17.337 0.171 1.00 0.00 O ATOM 0 H SER A 51 1.875 -15.805 1.636 1.00 0.00 H new ATOM 0 HA SER A 51 3.782 -17.737 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.605 -16.250 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.876 -17.960 -0.053 1.00 0.00 H new ATOM 0 HG SER A 51 1.707 -17.516 -0.768 1.00 0.00 H new ATOM 782 N LEU A 52 5.037 -14.755 2.035 1.00 0.00 N ATOM 783 CA LEU A 52 6.246 -13.933 2.147 1.00 0.00 C ATOM 784 C LEU A 52 6.497 -13.374 3.554 1.00 0.00 C ATOM 785 O LEU A 52 7.516 -12.726 3.786 1.00 0.00 O ATOM 786 CB LEU A 52 6.214 -12.825 1.068 1.00 0.00 C ATOM 787 CG LEU A 52 6.820 -13.215 -0.301 1.00 0.00 C ATOM 788 CD1 LEU A 52 8.178 -13.920 -0.207 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.848 -14.054 -1.142 1.00 0.00 C ATOM 0 H LEU A 52 4.180 -14.205 2.089 1.00 0.00 H new ATOM 0 HA LEU A 52 7.101 -14.585 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.179 -12.520 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.749 -11.955 1.449 1.00 0.00 H new ATOM 0 HG LEU A 52 6.995 -12.264 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.534 -14.160 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.895 -13.264 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.072 -14.839 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.315 -14.305 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.601 -14.970 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.937 -13.483 -1.323 1.00 0.00 H new ATOM 801 N LYS A 53 5.603 -13.614 4.518 1.00 0.00 N ATOM 802 CA LYS A 53 5.714 -13.129 5.900 1.00 0.00 C ATOM 803 C LYS A 53 7.004 -13.534 6.620 1.00 0.00 C ATOM 804 O LYS A 53 7.519 -12.762 7.428 1.00 0.00 O ATOM 805 CB LYS A 53 4.506 -13.660 6.689 1.00 0.00 C ATOM 806 CG LYS A 53 4.360 -13.056 8.096 1.00 0.00 C ATOM 807 CD LYS A 53 3.371 -13.888 8.919 1.00 0.00 C ATOM 808 CE LYS A 53 2.783 -13.123 10.106 1.00 0.00 C ATOM 809 NZ LYS A 53 3.749 -12.934 11.204 1.00 0.00 N ATOM 0 H LYS A 53 4.760 -14.165 4.356 1.00 0.00 H new ATOM 0 HA LYS A 53 5.736 -12.040 5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.598 -13.457 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.591 -14.743 6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.330 -13.031 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.011 -12.026 8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.560 -14.221 8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.875 -14.783 9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.433 -12.149 9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.913 -13.661 10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.295 -12.410 11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.065 -13.862 11.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.569 -12.396 10.857 1.00 0.00 H new ATOM 823 N ASN A 54 7.499 -14.744 6.377 1.00 0.00 N ATOM 824 CA ASN A 54 8.699 -15.264 7.026 1.00 0.00 C ATOM 825 C ASN A 54 9.978 -14.904 6.280 1.00 0.00 C ATOM 826 O ASN A 54 11.049 -14.992 6.876 1.00 0.00 O ATOM 827 CB ASN A 54 8.570 -16.781 7.245 1.00 0.00 C ATOM 828 CG ASN A 54 7.497 -17.086 8.283 1.00 0.00 C ATOM 829 OD1 ASN A 54 7.770 -17.176 9.477 1.00 0.00 O ATOM 830 ND2 ASN A 54 6.238 -17.151 7.889 1.00 0.00 N ATOM 0 H ASN A 54 7.075 -15.397 5.718 1.00 0.00 H new ATOM 0 HA ASN A 54 8.781 -14.780 7.999 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.321 -17.270 6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.526 -17.189 7.573 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.494 -17.276 8.576 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.009 -17.076 6.898 1.00 0.00 H new ATOM 837 N SER A 55 9.892 -14.496 5.018 1.00 0.00 N ATOM 838 CA SER A 55 11.041 -14.116 4.214 1.00 0.00 C ATOM 839 C SER A 55 11.603 -12.784 4.739 1.00 0.00 C ATOM 840 O SER A 55 10.847 -11.951 5.253 1.00 0.00 O ATOM 841 CB SER A 55 10.553 -14.026 2.762 1.00 0.00 C ATOM 842 OG SER A 55 9.837 -15.199 2.395 1.00 0.00 O ATOM 0 H SER A 55 9.005 -14.420 4.520 1.00 0.00 H new ATOM 0 HA SER A 55 11.853 -14.841 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.913 -13.152 2.642 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.405 -13.891 2.095 1.00 0.00 H new ATOM 0 HG SER A 55 9.945 -15.361 1.435 1.00 0.00 H new ATOM 848 N ASN A 56 12.918 -12.562 4.654 1.00 0.00 N ATOM 849 CA ASN A 56 13.527 -11.311 5.124 1.00 0.00 C ATOM 850 C ASN A 56 13.091 -10.160 4.200 1.00 0.00 C ATOM 851 O ASN A 56 12.991 -10.379 2.993 1.00 0.00 O ATOM 852 CB ASN A 56 15.051 -11.425 5.090 1.00 0.00 C ATOM 853 CG ASN A 56 15.734 -10.377 5.948 1.00 0.00 C ATOM 854 OD1 ASN A 56 15.574 -10.367 7.164 1.00 0.00 O ATOM 855 ND2 ASN A 56 16.508 -9.467 5.384 1.00 0.00 N ATOM 0 H ASN A 56 13.582 -13.231 4.265 1.00 0.00 H new ATOM 0 HA ASN A 56 13.203 -11.117 6.146 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.345 -12.417 5.432 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.396 -11.328 4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.968 -8.762 5.959 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.645 -9.470 4.373 1.00 0.00 H new ATOM 862 N PRO A 57 12.909 -8.915 4.677 1.00 0.00 N ATOM 863 CA PRO A 57 12.479 -7.820 3.818 1.00 0.00 C ATOM 864 C PRO A 57 13.502 -7.465 2.738 1.00 0.00 C ATOM 865 O PRO A 57 13.113 -7.116 1.626 1.00 0.00 O ATOM 866 CB PRO A 57 12.134 -6.658 4.750 1.00 0.00 C ATOM 867 CG PRO A 57 12.872 -6.962 6.044 1.00 0.00 C ATOM 868 CD PRO A 57 12.996 -8.481 6.053 1.00 0.00 C ATOM 0 HA PRO A 57 11.604 -8.105 3.234 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.453 -5.705 4.328 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.059 -6.590 4.915 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.850 -6.482 6.067 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.320 -6.602 6.912 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.943 -8.789 6.496 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.203 -8.930 6.651 1.00 0.00 H new ATOM 876 N ASP A 58 14.797 -7.584 3.040 1.00 0.00 N ATOM 877 CA ASP A 58 15.871 -7.279 2.086 1.00 0.00 C ATOM 878 C ASP A 58 16.075 -8.423 1.083 1.00 0.00 C ATOM 879 O ASP A 58 16.893 -8.296 0.173 1.00 0.00 O ATOM 880 CB ASP A 58 17.195 -6.997 2.816 1.00 0.00 C ATOM 881 CG ASP A 58 17.221 -5.648 3.516 1.00 0.00 C ATOM 882 OD1 ASP A 58 17.594 -4.629 2.894 1.00 0.00 O ATOM 883 OD2 ASP A 58 16.879 -5.574 4.722 1.00 0.00 O ATOM 0 H ASP A 58 15.133 -7.894 3.952 1.00 0.00 H new ATOM 0 HA ASP A 58 15.567 -6.386 1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.371 -7.783 3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.014 -7.042 2.098 1.00 0.00 H new ATOM 888 N GLU A 59 15.410 -9.569 1.264 1.00 0.00 N ATOM 889 CA GLU A 59 15.514 -10.718 0.366 1.00 0.00 C ATOM 890 C GLU A 59 14.346 -10.742 -0.627 1.00 0.00 C ATOM 891 O GLU A 59 14.315 -11.604 -1.504 1.00 0.00 O ATOM 892 CB GLU A 59 15.501 -12.031 1.163 1.00 0.00 C ATOM 893 CG GLU A 59 16.776 -12.344 1.951 1.00 0.00 C ATOM 894 CD GLU A 59 16.685 -13.716 2.627 1.00 0.00 C ATOM 895 OE1 GLU A 59 16.355 -14.713 1.933 1.00 0.00 O ATOM 896 OE2 GLU A 59 16.855 -13.811 3.859 1.00 0.00 O ATOM 0 H GLU A 59 14.777 -9.724 2.049 1.00 0.00 H new ATOM 0 HA GLU A 59 16.455 -10.623 -0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.663 -12.003 1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.313 -12.852 0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.636 -12.322 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.939 -11.574 2.705 1.00 0.00 H new ATOM 903 N ILE A 60 13.356 -9.859 -0.486 1.00 0.00 N ATOM 904 CA ILE A 60 12.194 -9.812 -1.370 1.00 0.00 C ATOM 905 C ILE A 60 12.408 -8.691 -2.398 1.00 0.00 C ATOM 906 O ILE A 60 13.105 -7.706 -2.131 1.00 0.00 O ATOM 907 CB ILE A 60 10.904 -9.637 -0.521 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.716 -10.766 0.524 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.647 -9.605 -1.411 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.839 -10.337 1.709 1.00 0.00 C ATOM 0 H ILE A 60 13.339 -9.153 0.250 1.00 0.00 H new ATOM 0 HA ILE A 60 12.074 -10.743 -1.924 1.00 0.00 H new ATOM 0 HB ILE A 60 11.028 -8.687 -0.000 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.266 -11.633 0.039 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.692 -11.079 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.762 -9.482 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.717 -8.771 -2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.571 -10.539 -1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.742 -11.167 2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.300 -9.488 2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.852 -10.051 1.346 1.00 0.00 H new ATOM 922 N GLU A 61 11.779 -8.824 -3.562 1.00 0.00 N ATOM 923 CA GLU A 61 11.814 -7.875 -4.665 1.00 0.00 C ATOM 924 C GLU A 61 10.377 -7.376 -4.820 1.00 0.00 C ATOM 925 O GLU A 61 9.482 -8.172 -5.119 1.00 0.00 O ATOM 926 CB GLU A 61 12.364 -8.549 -5.934 1.00 0.00 C ATOM 927 CG GLU A 61 13.882 -8.740 -5.811 1.00 0.00 C ATOM 928 CD GLU A 61 14.530 -9.574 -6.918 1.00 0.00 C ATOM 929 OE1 GLU A 61 13.917 -9.859 -7.974 1.00 0.00 O ATOM 930 OE2 GLU A 61 15.696 -9.982 -6.713 1.00 0.00 O ATOM 0 H GLU A 61 11.202 -9.639 -3.770 1.00 0.00 H new ATOM 0 HA GLU A 61 12.482 -7.034 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.879 -9.514 -6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.136 -7.939 -6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.355 -7.758 -5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.095 -9.212 -4.852 1.00 0.00 H new ATOM 937 N ILE A 62 10.126 -6.090 -4.544 1.00 0.00 N ATOM 938 CA ILE A 62 8.798 -5.483 -4.637 1.00 0.00 C ATOM 939 C ILE A 62 8.437 -5.446 -6.125 1.00 0.00 C ATOM 940 O ILE A 62 8.940 -4.610 -6.875 1.00 0.00 O ATOM 941 CB ILE A 62 8.777 -4.076 -3.975 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.291 -4.124 -2.512 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.345 -3.503 -4.012 1.00 0.00 C ATOM 944 CD1 ILE A 62 9.365 -2.756 -1.816 1.00 0.00 C ATOM 0 H ILE A 62 10.850 -5.436 -4.246 1.00 0.00 H new ATOM 0 HA ILE A 62 8.054 -6.064 -4.092 1.00 0.00 H new ATOM 0 HB ILE A 62 9.446 -3.428 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.639 -4.777 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.283 -4.576 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.335 -2.517 -3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.013 -3.419 -5.047 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.673 -4.167 -3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.734 -2.885 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.042 -2.103 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.372 -2.308 -1.788 1.00 0.00 H new ATOM 956 N ASP A 63 7.559 -6.361 -6.550 1.00 0.00 N ATOM 957 CA ASP A 63 7.100 -6.505 -7.926 1.00 0.00 C ATOM 958 C ASP A 63 5.670 -5.992 -7.992 1.00 0.00 C ATOM 959 O ASP A 63 4.740 -6.651 -7.537 1.00 0.00 O ATOM 960 CB ASP A 63 7.181 -7.976 -8.370 1.00 0.00 C ATOM 961 CG ASP A 63 8.417 -8.276 -9.210 1.00 0.00 C ATOM 962 OD1 ASP A 63 8.744 -7.450 -10.093 1.00 0.00 O ATOM 963 OD2 ASP A 63 8.997 -9.373 -9.041 1.00 0.00 O ATOM 0 H ASP A 63 7.137 -7.043 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 63 7.733 -5.931 -8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.183 -8.617 -7.488 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.289 -8.227 -8.944 1.00 0.00 H new ATOM 968 N PHE A 64 5.460 -4.786 -8.514 1.00 0.00 N ATOM 969 CA PHE A 64 4.115 -4.214 -8.593 1.00 0.00 C ATOM 970 C PHE A 64 3.282 -4.964 -9.626 1.00 0.00 C ATOM 971 O PHE A 64 2.055 -4.860 -9.676 1.00 0.00 O ATOM 972 CB PHE A 64 4.204 -2.739 -8.974 1.00 0.00 C ATOM 973 CG PHE A 64 4.834 -1.842 -7.926 1.00 0.00 C ATOM 974 CD1 PHE A 64 6.230 -1.799 -7.745 1.00 0.00 C ATOM 975 CD2 PHE A 64 4.012 -1.026 -7.132 1.00 0.00 C ATOM 976 CE1 PHE A 64 6.795 -0.934 -6.792 1.00 0.00 C ATOM 977 CE2 PHE A 64 4.579 -0.169 -6.179 1.00 0.00 C ATOM 978 CZ PHE A 64 5.969 -0.111 -6.014 1.00 0.00 C ATOM 0 H PHE A 64 6.197 -4.188 -8.887 1.00 0.00 H new ATOM 0 HA PHE A 64 3.635 -4.307 -7.619 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.777 -2.652 -9.897 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.200 -2.373 -9.187 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.869 -2.433 -8.341 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.940 -1.059 -7.256 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.866 -0.903 -6.659 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.940 0.451 -5.568 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.402 0.564 -5.291 1.00 0.00 H new ATOM 988 N GLU A 65 3.979 -5.739 -10.447 1.00 0.00 N ATOM 989 CA GLU A 65 3.456 -6.536 -11.509 1.00 0.00 C ATOM 990 C GLU A 65 2.647 -7.739 -11.023 1.00 0.00 C ATOM 991 O GLU A 65 1.759 -8.193 -11.744 1.00 0.00 O ATOM 992 CB GLU A 65 4.641 -6.866 -12.426 1.00 0.00 C ATOM 993 CG GLU A 65 5.426 -8.148 -12.112 1.00 0.00 C ATOM 994 CD GLU A 65 6.468 -8.435 -13.189 1.00 0.00 C ATOM 995 OE1 GLU A 65 7.377 -7.590 -13.392 1.00 0.00 O ATOM 996 OE2 GLU A 65 6.337 -9.449 -13.901 1.00 0.00 O ATOM 0 H GLU A 65 4.993 -5.821 -10.369 1.00 0.00 H new ATOM 0 HA GLU A 65 2.705 -5.990 -12.081 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.269 -6.937 -13.448 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.336 -6.027 -12.397 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.917 -8.049 -11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.737 -8.989 -12.035 1.00 0.00 H new ATOM 1003 N THR A 66 2.889 -8.212 -9.796 1.00 0.00 N ATOM 1004 CA THR A 66 2.193 -9.359 -9.218 1.00 0.00 C ATOM 1005 C THR A 66 1.412 -8.978 -7.959 1.00 0.00 C ATOM 1006 O THR A 66 0.511 -9.720 -7.561 1.00 0.00 O ATOM 1007 CB THR A 66 3.215 -10.489 -8.975 1.00 0.00 C ATOM 1008 OG1 THR A 66 2.572 -11.731 -8.757 1.00 0.00 O ATOM 1009 CG2 THR A 66 4.171 -10.219 -7.809 1.00 0.00 C ATOM 0 H THR A 66 3.583 -7.802 -9.171 1.00 0.00 H new ATOM 0 HA THR A 66 1.440 -9.721 -9.919 1.00 0.00 H new ATOM 0 HB THR A 66 3.809 -10.527 -9.888 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.246 -12.427 -8.608 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.859 -11.058 -7.701 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.737 -9.309 -8.006 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.598 -10.098 -6.889 1.00 0.00 H new ATOM 1017 N LEU A 67 1.712 -7.841 -7.327 1.00 0.00 N ATOM 1018 CA LEU A 67 1.017 -7.432 -6.109 1.00 0.00 C ATOM 1019 C LEU A 67 -0.392 -6.949 -6.436 1.00 0.00 C ATOM 1020 O LEU A 67 -0.582 -6.117 -7.323 1.00 0.00 O ATOM 1021 CB LEU A 67 1.819 -6.352 -5.374 1.00 0.00 C ATOM 1022 CG LEU A 67 3.144 -6.879 -4.786 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.947 -5.691 -4.243 1.00 0.00 C ATOM 1024 CD2 LEU A 67 2.945 -7.964 -3.727 1.00 0.00 C ATOM 0 H LEU A 67 2.431 -7.189 -7.640 1.00 0.00 H new ATOM 0 HA LEU A 67 0.930 -8.294 -5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.033 -5.535 -6.063 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.210 -5.939 -4.570 1.00 0.00 H new ATOM 0 HG LEU A 67 3.703 -7.367 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.887 -6.049 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.154 -4.991 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.372 -5.188 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.916 -8.291 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.356 -7.564 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.421 -8.812 -4.169 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.383 -7.468 -5.707 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.787 -7.111 -5.893 1.00 0.00 C ATOM 1038 C LYS A 68 -3.025 -5.618 -5.647 1.00 0.00 C ATOM 1039 O LYS A 68 -2.298 -5.008 -4.860 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.655 -7.955 -4.942 1.00 0.00 C ATOM 1041 CG LYS A 68 -4.213 -9.204 -5.640 1.00 0.00 C ATOM 1042 CD LYS A 68 -4.875 -10.174 -4.654 1.00 0.00 C ATOM 1043 CE LYS A 68 -5.997 -9.508 -3.852 1.00 0.00 C ATOM 1044 NZ LYS A 68 -6.646 -10.456 -2.933 1.00 0.00 N ATOM 0 H LYS A 68 -1.230 -8.152 -4.966 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.063 -7.319 -6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.062 -8.255 -4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.480 -7.349 -4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.941 -8.902 -6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.406 -9.716 -6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.278 -11.026 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.122 -10.563 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.591 -8.671 -3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.740 -9.098 -4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.400 -9.969 -2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.055 -11.242 -3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.942 -10.828 -2.264 1.00 0.00 H new ATOM 1058 N PRO A 69 -4.105 -5.039 -6.217 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.442 -3.631 -6.037 1.00 0.00 C ATOM 1060 C PRO A 69 -4.581 -3.274 -4.560 1.00 0.00 C ATOM 1061 O PRO A 69 -4.070 -2.247 -4.118 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.738 -3.398 -6.821 1.00 0.00 C ATOM 1063 CG PRO A 69 -6.284 -4.791 -7.121 1.00 0.00 C ATOM 1064 CD PRO A 69 -5.032 -5.660 -7.152 1.00 0.00 C ATOM 0 HA PRO A 69 -3.650 -2.981 -6.411 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.450 -2.814 -6.239 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.547 -2.844 -7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.984 -5.122 -6.354 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.816 -4.818 -8.072 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.258 -6.685 -6.858 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.608 -5.702 -8.155 1.00 0.00 H new ATOM 1072 N SER A 70 -5.215 -4.146 -3.773 1.00 0.00 N ATOM 1073 CA SER A 70 -5.406 -3.927 -2.351 1.00 0.00 C ATOM 1074 C SER A 70 -4.076 -3.814 -1.610 1.00 0.00 C ATOM 1075 O SER A 70 -3.950 -3.048 -0.660 1.00 0.00 O ATOM 1076 CB SER A 70 -6.220 -5.090 -1.761 1.00 0.00 C ATOM 1077 OG SER A 70 -7.137 -5.628 -2.701 1.00 0.00 O ATOM 0 H SER A 70 -5.609 -5.024 -4.112 1.00 0.00 H new ATOM 0 HA SER A 70 -5.941 -2.985 -2.226 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.541 -5.875 -1.427 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.763 -4.743 -0.882 1.00 0.00 H new ATOM 0 HG SER A 70 -7.633 -6.365 -2.288 1.00 0.00 H new ATOM 1083 N THR A 71 -3.079 -4.593 -2.024 1.00 0.00 N ATOM 1084 CA THR A 71 -1.774 -4.580 -1.398 1.00 0.00 C ATOM 1085 C THR A 71 -1.122 -3.224 -1.642 1.00 0.00 C ATOM 1086 O THR A 71 -0.691 -2.570 -0.693 1.00 0.00 O ATOM 1087 CB THR A 71 -0.949 -5.780 -1.907 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.685 -6.992 -1.749 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.361 -5.862 -1.131 1.00 0.00 C ATOM 0 H THR A 71 -3.160 -5.247 -2.802 1.00 0.00 H new ATOM 0 HA THR A 71 -1.845 -4.700 -0.317 1.00 0.00 H new ATOM 0 HB THR A 71 -0.735 -5.640 -2.967 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.064 -7.749 -1.709 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.944 -6.710 -1.490 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.929 -4.943 -1.277 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.148 -5.992 -0.070 1.00 0.00 H new ATOM 1097 N LEU A 72 -1.111 -2.769 -2.896 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.506 -1.492 -3.241 1.00 0.00 C ATOM 1099 C LEU A 72 -1.216 -0.315 -2.581 1.00 0.00 C ATOM 1100 O LEU A 72 -0.552 0.660 -2.246 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.494 -1.285 -4.752 1.00 0.00 C ATOM 1102 CG LEU A 72 0.207 -2.392 -5.553 1.00 0.00 C ATOM 1103 CD1 LEU A 72 0.109 -2.060 -7.039 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.665 -2.584 -5.129 1.00 0.00 C ATOM 0 H LEU A 72 -1.516 -3.270 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 72 0.517 -1.527 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.523 -1.202 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.006 -0.335 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.295 -3.338 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.603 -2.839 -7.619 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.940 -2.001 -7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.593 -1.102 -7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.116 -3.378 -5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.215 -1.656 -5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.704 -2.856 -4.074 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.537 -0.390 -2.360 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.280 0.699 -1.724 1.00 0.00 C ATOM 1118 C ARG A 73 -2.634 1.100 -0.406 1.00 0.00 C ATOM 1119 O ARG A 73 -2.544 2.299 -0.152 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.764 0.326 -1.511 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.658 0.794 -2.669 1.00 0.00 C ATOM 1122 CD ARG A 73 -6.021 2.287 -2.566 1.00 0.00 C ATOM 1123 NE ARG A 73 -7.293 2.552 -1.862 1.00 0.00 N ATOM 1124 CZ ARG A 73 -7.696 3.763 -1.450 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -7.042 4.861 -1.801 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -8.793 3.888 -0.714 1.00 0.00 N ATOM 0 H ARG A 73 -3.109 -1.195 -2.614 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.246 1.554 -2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.852 -0.755 -1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.117 0.770 -0.580 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.148 0.612 -3.615 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.572 0.201 -2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.217 2.811 -2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.080 2.706 -3.571 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.907 1.759 -1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.216 4.794 -2.395 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.365 5.773 -1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.333 3.061 -0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.096 4.811 -0.403 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.174 0.143 0.406 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.560 0.507 1.681 1.00 0.00 C ATOM 1142 C GLU A 74 -0.169 1.108 1.484 1.00 0.00 C ATOM 1143 O GLU A 74 0.220 1.977 2.257 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.485 -0.702 2.620 1.00 0.00 C ATOM 1145 CG GLU A 74 -2.780 -0.949 3.401 1.00 0.00 C ATOM 1146 CD GLU A 74 -3.116 0.176 4.391 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -2.198 0.734 5.044 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -4.323 0.489 4.524 1.00 0.00 O ATOM 0 H GLU A 74 -2.213 -0.857 0.211 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.195 1.266 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.246 -1.591 2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.667 -0.554 3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.605 -1.063 2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.694 -1.889 3.946 1.00 0.00 H new ATOM 1155 N LEU A 75 0.590 0.668 0.476 1.00 0.00 N ATOM 1156 CA LEU A 75 1.928 1.204 0.224 1.00 0.00 C ATOM 1157 C LEU A 75 1.805 2.682 -0.147 1.00 0.00 C ATOM 1158 O LEU A 75 2.573 3.513 0.334 1.00 0.00 O ATOM 1159 CB LEU A 75 2.672 0.426 -0.877 1.00 0.00 C ATOM 1160 CG LEU A 75 2.670 -1.106 -0.766 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.439 -1.707 -1.947 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.281 -1.586 0.548 1.00 0.00 C ATOM 0 H LEU A 75 0.299 -0.058 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 75 2.520 1.094 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.236 0.697 -1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.708 0.764 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 75 1.633 -1.440 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.437 -2.794 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.961 -1.411 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.467 -1.344 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.259 -2.675 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.313 -1.242 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.708 -1.184 1.384 1.00 0.00 H new ATOM 1174 N GLU A 76 0.826 3.014 -0.990 1.00 0.00 N ATOM 1175 CA GLU A 76 0.558 4.380 -1.424 1.00 0.00 C ATOM 1176 C GLU A 76 0.111 5.202 -0.210 1.00 0.00 C ATOM 1177 O GLU A 76 0.529 6.337 -0.030 1.00 0.00 O ATOM 1178 CB GLU A 76 -0.510 4.328 -2.523 1.00 0.00 C ATOM 1179 CG GLU A 76 -1.122 5.683 -2.914 1.00 0.00 C ATOM 1180 CD GLU A 76 -2.203 5.497 -3.985 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -3.020 4.561 -3.795 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -2.299 6.309 -4.937 1.00 0.00 O ATOM 0 H GLU A 76 0.189 2.328 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 76 1.446 4.860 -1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.070 3.877 -3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.313 3.667 -2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.552 6.161 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.342 6.346 -3.288 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.754 4.640 0.636 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.259 5.291 1.842 1.00 0.00 C ATOM 1191 C ARG A 77 -0.089 5.642 2.763 1.00 0.00 C ATOM 1192 O ARG A 77 -0.061 6.730 3.340 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.310 4.360 2.475 1.00 0.00 C ATOM 1194 CG ARG A 77 -3.315 5.074 3.382 1.00 0.00 C ATOM 1195 CD ARG A 77 -2.809 5.124 4.817 1.00 0.00 C ATOM 1196 NE ARG A 77 -3.663 5.961 5.669 1.00 0.00 N ATOM 1197 CZ ARG A 77 -3.217 6.657 6.721 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -1.948 6.555 7.118 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -4.033 7.468 7.371 1.00 0.00 N ATOM 0 H ARG A 77 -1.129 3.702 0.498 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.753 6.238 1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.854 3.850 1.680 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.797 3.592 3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.486 6.087 3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.274 4.557 3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.769 4.113 5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.791 5.513 4.830 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.657 6.015 5.445 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.305 5.941 6.618 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.620 7.091 7.922 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.003 7.563 7.071 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.693 7.998 8.173 1.00 0.00 H new ATOM 1213 N TYR A 78 0.874 4.731 2.871 1.00 0.00 N ATOM 1214 CA TYR A 78 2.064 4.873 3.683 1.00 0.00 C ATOM 1215 C TYR A 78 2.906 6.054 3.195 1.00 0.00 C ATOM 1216 O TYR A 78 3.124 6.988 3.970 1.00 0.00 O ATOM 1217 CB TYR A 78 2.836 3.545 3.685 1.00 0.00 C ATOM 1218 CG TYR A 78 3.974 3.490 4.677 1.00 0.00 C ATOM 1219 CD1 TYR A 78 3.689 3.331 6.043 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.309 3.548 4.238 1.00 0.00 C ATOM 1221 CE1 TYR A 78 4.730 3.245 6.981 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.357 3.490 5.176 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.068 3.341 6.552 1.00 0.00 C ATOM 1224 OH TYR A 78 7.076 3.216 7.458 1.00 0.00 O ATOM 0 H TYR A 78 0.839 3.841 2.373 1.00 0.00 H new ATOM 0 HA TYR A 78 1.793 5.097 4.715 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.141 2.734 3.902 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.232 3.367 2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.663 3.275 6.374 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.529 3.637 3.184 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.506 3.106 8.028 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.382 3.559 4.844 1.00 0.00 H new ATOM 0 HH TYR A 78 7.939 3.306 7.002 1.00 0.00 H new ATOM 1234 N VAL A 79 3.366 6.056 1.934 1.00 0.00 N ATOM 1235 CA VAL A 79 4.187 7.149 1.418 1.00 0.00 C ATOM 1236 C VAL A 79 3.457 8.490 1.503 1.00 0.00 C ATOM 1237 O VAL A 79 4.020 9.432 2.066 1.00 0.00 O ATOM 1238 CB VAL A 79 4.761 6.842 0.016 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.530 5.514 0.042 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.733 6.761 -1.118 1.00 0.00 C ATOM 0 H VAL A 79 3.181 5.313 1.260 1.00 0.00 H new ATOM 0 HA VAL A 79 5.058 7.240 2.067 1.00 0.00 H new ATOM 0 HB VAL A 79 5.403 7.696 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.931 5.306 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.350 5.582 0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.857 4.709 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.243 6.542 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.014 5.970 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.210 7.713 -1.204 1.00 0.00 H new ATOM 1250 N THR A 80 2.200 8.575 1.056 1.00 0.00 N ATOM 1251 CA THR A 80 1.441 9.816 1.091 1.00 0.00 C ATOM 1252 C THR A 80 1.448 10.442 2.482 1.00 0.00 C ATOM 1253 O THR A 80 1.613 11.651 2.559 1.00 0.00 O ATOM 1254 CB THR A 80 0.012 9.562 0.585 1.00 0.00 C ATOM 1255 OG1 THR A 80 0.041 9.117 -0.759 1.00 0.00 O ATOM 1256 CG2 THR A 80 -0.913 10.775 0.624 1.00 0.00 C ATOM 0 H THR A 80 1.687 7.786 0.663 1.00 0.00 H new ATOM 0 HA THR A 80 1.920 10.537 0.428 1.00 0.00 H new ATOM 0 HB THR A 80 -0.386 8.815 1.272 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.203 8.151 -0.780 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.897 10.495 0.248 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.005 11.130 1.651 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.499 11.568 0.002 1.00 0.00 H new ATOM 1264 N SER A 81 1.324 9.693 3.580 1.00 0.00 N ATOM 1265 CA SER A 81 1.310 10.323 4.900 1.00 0.00 C ATOM 1266 C SER A 81 2.711 10.468 5.486 1.00 0.00 C ATOM 1267 O SER A 81 2.933 11.362 6.309 1.00 0.00 O ATOM 1268 CB SER A 81 0.378 9.546 5.837 1.00 0.00 C ATOM 1269 OG SER A 81 0.032 10.320 6.974 1.00 0.00 O ATOM 0 H SER A 81 1.234 8.677 3.584 1.00 0.00 H new ATOM 0 HA SER A 81 0.925 11.337 4.788 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.526 9.260 5.300 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.864 8.624 6.156 1.00 0.00 H new ATOM 0 HG SER A 81 -0.564 9.801 7.554 1.00 0.00 H new ATOM 1275 N CYS A 82 3.678 9.621 5.112 1.00 0.00 N ATOM 1276 CA CYS A 82 5.033 9.751 5.631 1.00 0.00 C ATOM 1277 C CYS A 82 5.602 11.084 5.135 1.00 0.00 C ATOM 1278 O CYS A 82 6.302 11.795 5.866 1.00 0.00 O ATOM 1279 CB CYS A 82 5.887 8.584 5.139 1.00 0.00 C ATOM 1280 SG CYS A 82 7.470 8.517 6.020 1.00 0.00 S ATOM 0 H CYS A 82 3.544 8.849 4.459 1.00 0.00 H new ATOM 0 HA CYS A 82 5.033 9.733 6.721 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.347 7.648 5.283 1.00 0.00 H new ATOM 0 HB3 CYS A 82 6.067 8.687 4.069 1.00 0.00 H new ATOM 0 HG CYS A 82 8.170 7.514 5.580 1.00 0.00 H new ATOM 1286 N LEU A 83 5.274 11.416 3.887 1.00 0.00 N ATOM 1287 CA LEU A 83 5.673 12.621 3.191 1.00 0.00 C ATOM 1288 C LEU A 83 4.740 13.769 3.583 1.00 0.00 C ATOM 1289 O LEU A 83 5.178 14.771 4.144 1.00 0.00 O ATOM 1290 CB LEU A 83 5.622 12.359 1.670 1.00 0.00 C ATOM 1291 CG LEU A 83 6.509 11.197 1.173 1.00 0.00 C ATOM 1292 CD1 LEU A 83 6.259 10.946 -0.317 1.00 0.00 C ATOM 1293 CD2 LEU A 83 8.000 11.485 1.384 1.00 0.00 C ATOM 0 H LEU A 83 4.690 10.812 3.309 1.00 0.00 H new ATOM 0 HA LEU A 83 6.690 12.900 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.590 12.153 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.919 13.270 1.150 1.00 0.00 H new ATOM 0 HG LEU A 83 6.242 10.315 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.889 10.125 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.211 10.688 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.498 11.846 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.588 10.642 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.278 12.385 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.195 11.633 2.446 1.00 0.00 H new