USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 751 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 99 THR OG1 : rot -81:sc= 1.25 USER MOD Set 1.2: A 103 GLN : amide:sc= 0.481 K(o=1.7,f=-0.9) USER MOD Set 2.1: A 55 HIS : no HD1:sc= -2.85! K(o=-4.6!,f=-3) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -1.79 K(o=-4.6,f=-4) USER MOD Set 3.1: A 16 MET CE :methyl -134:sc= -1.22 (180deg=-5.08!) USER MOD Set 3.2: A 20 SER OG : rot 89:sc= 0.242 USER MOD Single : A 18 TYR OH : rot 122:sc= 0.00209 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 38:sc= 0.603 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-3.8!) USER MOD Single : A 42 ASN : amide:sc= -1.94! C(o=-1.9!,f=-3.7!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 96:sc= 0.622 USER MOD Single : A 47 ASN : amide:sc= -1.72 K(o=-1.7,f=-3.1!) USER MOD Single : A 49 TYR OH : rot -110:sc= 0.873 USER MOD Single : A 51 SER OG : rot -46:sc= 0.304 USER MOD Single : A 52 HIS : no HE2:sc= -0.303 K(o=-0.3,f=-1.8) USER MOD Single : A 58 MET CE :methyl 171:sc= -2.36 (180deg=-2.99!) USER MOD Single : A 59 ASN : amide:sc= -2.63! K(o=-2.6!,f=-0.84) USER MOD Single : A 61 THR OG1 : rot -115:sc= 2.29 USER MOD Single : A 62 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.37) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -71:sc= 0.835 USER MOD Single : A 70 THR OG1 : rot -71:sc= 0.623 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot -130:sc= -1.5 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -116:sc= 1.45 USER MOD Single : A 86 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0205) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0549 K(o=-0.055,f=-1.9!) USER MOD Single : A 92 TYR OH : rot 158:sc= -0.883 USER MOD ----------------------------------------------------------------- ATOM 241 N MET A 16 -5.260 7.125 6.937 1.00 0.00 N ATOM 242 CA MET A 16 -6.039 5.869 7.058 1.00 0.00 C ATOM 243 C MET A 16 -7.102 5.739 5.991 1.00 0.00 C ATOM 244 O MET A 16 -7.257 4.675 5.411 1.00 0.00 O ATOM 245 CB MET A 16 -6.646 5.607 8.471 1.00 0.00 C ATOM 246 CG MET A 16 -7.012 4.132 8.827 1.00 0.00 C ATOM 247 SD MET A 16 -8.664 3.472 8.404 1.00 0.00 S ATOM 248 CE MET A 16 -8.367 1.749 8.958 1.00 0.00 C ATOM 0 HA MET A 16 -5.294 5.089 6.902 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.937 5.968 9.216 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.547 6.212 8.569 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.274 3.490 8.347 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.883 4.017 9.903 1.00 0.00 H new ATOM 0 HE1 MET A 16 -8.729 1.055 8.199 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.299 1.595 9.111 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.896 1.571 9.894 1.00 0.00 H new ATOM 258 N ASP A 17 -7.760 6.877 5.614 1.00 0.00 N ATOM 259 CA ASP A 17 -8.696 7.035 4.497 1.00 0.00 C ATOM 260 C ASP A 17 -8.098 6.620 3.139 1.00 0.00 C ATOM 261 O ASP A 17 -8.661 5.775 2.460 1.00 0.00 O ATOM 262 CB ASP A 17 -9.255 8.494 4.456 1.00 0.00 C ATOM 263 CG ASP A 17 -10.506 8.647 3.576 1.00 0.00 C ATOM 264 OD1 ASP A 17 -10.448 9.439 2.599 1.00 0.00 O ATOM 265 OD2 ASP A 17 -11.526 7.972 3.875 1.00 0.00 O ATOM 0 H ASP A 17 -7.631 7.751 6.124 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.523 6.348 4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.493 8.812 5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.477 9.162 4.087 1.00 0.00 H new ATOM 270 N TYR A 18 -6.905 7.153 2.742 1.00 0.00 N ATOM 271 CA TYR A 18 -6.183 6.713 1.543 1.00 0.00 C ATOM 272 C TYR A 18 -5.536 5.308 1.616 1.00 0.00 C ATOM 273 O TYR A 18 -5.781 4.487 0.729 1.00 0.00 O ATOM 274 CB TYR A 18 -5.153 7.797 1.074 1.00 0.00 C ATOM 275 CG TYR A 18 -4.492 7.444 -0.250 1.00 0.00 C ATOM 276 CD1 TYR A 18 -3.225 6.892 -0.240 1.00 0.00 C ATOM 277 CD2 TYR A 18 -5.194 7.479 -1.443 1.00 0.00 C ATOM 278 CE1 TYR A 18 -2.700 6.302 -1.374 1.00 0.00 C ATOM 279 CE2 TYR A 18 -4.652 6.929 -2.591 1.00 0.00 C ATOM 280 CZ TYR A 18 -3.416 6.314 -2.551 1.00 0.00 C ATOM 281 OH TYR A 18 -2.916 5.667 -3.701 1.00 0.00 O ATOM 0 H TYR A 18 -6.431 7.897 3.253 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.961 6.600 0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.660 8.757 0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.385 7.918 1.838 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.638 6.922 0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.171 7.939 -1.478 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.729 5.832 -1.338 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.197 6.981 -3.522 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.560 4.994 -4.004 1.00 0.00 H new ATOM 291 N PHE A 19 -4.700 4.988 2.659 1.00 0.00 N ATOM 292 CA PHE A 19 -3.975 3.703 2.725 1.00 0.00 C ATOM 293 C PHE A 19 -4.871 2.516 3.068 1.00 0.00 C ATOM 294 O PHE A 19 -4.704 1.443 2.497 1.00 0.00 O ATOM 295 CB PHE A 19 -2.605 3.749 3.467 1.00 0.00 C ATOM 296 CG PHE A 19 -1.703 4.812 2.871 1.00 0.00 C ATOM 297 CD1 PHE A 19 -1.127 4.636 1.626 1.00 0.00 C ATOM 298 CD2 PHE A 19 -1.384 5.958 3.574 1.00 0.00 C ATOM 299 CE1 PHE A 19 -0.252 5.567 1.101 1.00 0.00 C ATOM 300 CE2 PHE A 19 -0.522 6.906 3.050 1.00 0.00 C ATOM 301 CZ PHE A 19 0.045 6.712 1.808 1.00 0.00 C ATOM 0 H PHE A 19 -4.523 5.607 3.451 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.663 3.512 1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.767 3.955 4.525 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.119 2.776 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.366 3.753 1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.816 6.117 4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.200 5.397 0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.293 7.798 3.614 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.715 7.450 1.393 1.00 0.00 H new ATOM 311 N SER A 20 -5.937 2.709 3.920 1.00 0.00 N ATOM 312 CA SER A 20 -6.995 1.710 4.133 1.00 0.00 C ATOM 313 C SER A 20 -7.960 1.583 2.950 1.00 0.00 C ATOM 314 O SER A 20 -8.446 0.488 2.721 1.00 0.00 O ATOM 315 CB SER A 20 -7.777 1.814 5.473 1.00 0.00 C ATOM 316 OG SER A 20 -8.491 0.619 5.806 1.00 0.00 O ATOM 0 H SER A 20 -6.066 3.562 4.464 1.00 0.00 H new ATOM 0 HA SER A 20 -6.420 0.787 4.210 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.078 2.047 6.276 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.481 2.644 5.412 1.00 0.00 H new ATOM 0 HG SER A 20 -7.908 0.022 6.319 1.00 0.00 H new ATOM 322 N GLU A 21 -8.262 2.650 2.142 1.00 0.00 N ATOM 323 CA GLU A 21 -9.040 2.548 0.890 1.00 0.00 C ATOM 324 C GLU A 21 -8.283 1.857 -0.243 1.00 0.00 C ATOM 325 O GLU A 21 -8.808 0.931 -0.862 1.00 0.00 O ATOM 326 CB GLU A 21 -9.612 3.911 0.418 1.00 0.00 C ATOM 327 CG GLU A 21 -10.638 3.901 -0.741 1.00 0.00 C ATOM 328 CD GLU A 21 -9.971 3.930 -2.120 1.00 0.00 C ATOM 329 OE1 GLU A 21 -10.253 3.012 -2.937 1.00 0.00 O ATOM 330 OE2 GLU A 21 -9.176 4.874 -2.375 1.00 0.00 O ATOM 0 H GLU A 21 -7.965 3.602 2.354 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.884 1.908 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.081 4.393 1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.774 4.540 0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.261 3.010 -0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.299 4.762 -0.643 1.00 0.00 H new ATOM 337 N GLU A 22 -7.006 2.285 -0.505 1.00 0.00 N ATOM 338 CA GLU A 22 -6.125 1.743 -1.546 1.00 0.00 C ATOM 339 C GLU A 22 -5.713 0.296 -1.299 1.00 0.00 C ATOM 340 O GLU A 22 -5.770 -0.537 -2.200 1.00 0.00 O ATOM 341 CB GLU A 22 -4.876 2.652 -1.749 1.00 0.00 C ATOM 342 CG GLU A 22 -4.001 2.334 -2.981 1.00 0.00 C ATOM 343 CD GLU A 22 -4.808 2.459 -4.272 1.00 0.00 C ATOM 344 OE1 GLU A 22 -5.379 3.557 -4.513 1.00 0.00 O ATOM 345 OE2 GLU A 22 -4.857 1.461 -5.040 1.00 0.00 O ATOM 0 H GLU A 22 -6.568 3.037 0.027 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.710 1.738 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.212 3.686 -1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.252 2.583 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.150 3.014 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.599 1.324 -2.895 1.00 0.00 H new ATOM 352 N PHE A 23 -5.395 -0.067 -0.021 1.00 0.00 N ATOM 353 CA PHE A 23 -5.227 -1.454 0.382 1.00 0.00 C ATOM 354 C PHE A 23 -6.554 -2.207 0.477 1.00 0.00 C ATOM 355 O PHE A 23 -6.702 -3.212 -0.197 1.00 0.00 O ATOM 356 CB PHE A 23 -4.495 -1.490 1.762 1.00 0.00 C ATOM 357 CG PHE A 23 -4.217 -2.840 2.385 1.00 0.00 C ATOM 358 CD1 PHE A 23 -3.842 -3.942 1.641 1.00 0.00 C ATOM 359 CD2 PHE A 23 -4.308 -2.974 3.757 1.00 0.00 C ATOM 360 CE1 PHE A 23 -3.526 -5.133 2.257 1.00 0.00 C ATOM 361 CE2 PHE A 23 -3.969 -4.154 4.374 1.00 0.00 C ATOM 362 CZ PHE A 23 -3.611 -5.254 3.625 1.00 0.00 C ATOM 0 H PHE A 23 -5.254 0.603 0.735 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.636 -1.956 -0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.542 -0.973 1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.089 -0.912 2.470 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.796 -3.869 0.564 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.650 -2.140 4.352 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.210 -5.977 1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.983 -4.220 5.452 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.400 -6.198 4.105 1.00 0.00 H new ATOM 372 N ARG A 24 -7.601 -1.754 1.232 1.00 0.00 N ATOM 373 CA ARG A 24 -8.834 -2.535 1.394 1.00 0.00 C ATOM 374 C ARG A 24 -9.785 -2.698 0.208 1.00 0.00 C ATOM 375 O ARG A 24 -10.335 -3.787 0.060 1.00 0.00 O ATOM 376 CB ARG A 24 -9.597 -2.195 2.695 1.00 0.00 C ATOM 377 CG ARG A 24 -10.444 -3.373 3.208 1.00 0.00 C ATOM 378 CD ARG A 24 -11.142 -3.119 4.543 1.00 0.00 C ATOM 379 NE ARG A 24 -12.141 -1.989 4.437 1.00 0.00 N ATOM 380 CZ ARG A 24 -13.323 -2.024 3.741 1.00 0.00 C ATOM 381 NH1 ARG A 24 -13.703 -3.116 3.020 1.00 0.00 N ATOM 382 NH2 ARG A 24 -14.136 -0.927 3.770 1.00 0.00 N ATOM 0 H ARG A 24 -7.601 -0.861 1.726 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.406 -3.535 1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.883 -1.903 3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.245 -1.336 2.518 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.198 -3.615 2.459 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.802 -4.248 3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.650 -4.027 4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.399 -2.880 5.304 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.916 -1.123 4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.102 -3.940 2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.588 -3.110 2.514 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.860 -0.102 4.302 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.019 -0.933 3.259 1.00 0.00 H new ATOM 396 N ASN A 25 -9.991 -1.693 -0.713 1.00 0.00 N ATOM 397 CA ASN A 25 -10.833 -1.816 -1.910 1.00 0.00 C ATOM 398 C ASN A 25 -10.328 -2.868 -2.900 1.00 0.00 C ATOM 399 O ASN A 25 -11.053 -3.782 -3.253 1.00 0.00 O ATOM 400 CB ASN A 25 -10.986 -0.446 -2.634 1.00 0.00 C ATOM 401 CG ASN A 25 -12.363 -0.351 -3.288 1.00 0.00 C ATOM 402 OD1 ASN A 25 -12.552 -0.639 -4.471 1.00 0.00 O ATOM 403 ND2 ASN A 25 -13.384 0.088 -2.510 1.00 0.00 N ATOM 0 H ASN A 25 -9.561 -0.773 -0.622 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.807 -2.150 -1.551 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.856 0.368 -1.921 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.207 -0.335 -3.389 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.320 0.183 -2.903 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.215 0.323 -1.532 1.00 0.00 H new ATOM 410 N ASP A 26 -9.023 -2.787 -3.266 1.00 0.00 N ATOM 411 CA ASP A 26 -8.252 -3.717 -4.093 1.00 0.00 C ATOM 412 C ASP A 26 -7.981 -5.058 -3.418 1.00 0.00 C ATOM 413 O ASP A 26 -8.197 -6.083 -4.052 1.00 0.00 O ATOM 414 CB ASP A 26 -6.927 -3.049 -4.523 1.00 0.00 C ATOM 415 CG ASP A 26 -7.217 -1.895 -5.486 1.00 0.00 C ATOM 416 OD1 ASP A 26 -6.969 -0.722 -5.101 1.00 0.00 O ATOM 417 OD2 ASP A 26 -7.690 -2.177 -6.620 1.00 0.00 O ATOM 0 H ASP A 26 -8.448 -2.002 -2.960 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.862 -3.943 -4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.395 -2.679 -3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.279 -3.782 -5.004 1.00 0.00 H new ATOM 422 N PHE A 27 -7.579 -5.109 -2.111 1.00 0.00 N ATOM 423 CA PHE A 27 -7.380 -6.332 -1.306 1.00 0.00 C ATOM 424 C PHE A 27 -8.663 -7.129 -1.101 1.00 0.00 C ATOM 425 O PHE A 27 -8.637 -8.332 -1.345 1.00 0.00 O ATOM 426 CB PHE A 27 -6.654 -6.047 0.052 1.00 0.00 C ATOM 427 CG PHE A 27 -6.322 -7.190 0.996 1.00 0.00 C ATOM 428 CD1 PHE A 27 -5.032 -7.677 1.070 1.00 0.00 C ATOM 429 CD2 PHE A 27 -7.246 -7.642 1.926 1.00 0.00 C ATOM 430 CE1 PHE A 27 -4.648 -8.528 2.091 1.00 0.00 C ATOM 431 CE2 PHE A 27 -6.897 -8.566 2.887 1.00 0.00 C ATOM 432 CZ PHE A 27 -5.597 -9.012 2.969 1.00 0.00 C ATOM 0 H PHE A 27 -7.380 -4.261 -1.580 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.716 -6.962 -1.898 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.718 -5.539 -0.182 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.271 -5.339 0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.311 -7.389 0.319 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.257 -7.263 1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.612 -8.812 2.200 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.642 -8.939 3.574 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.320 -9.739 3.718 1.00 0.00 H new ATOM 442 N LEU A 28 -9.839 -6.509 -0.723 1.00 0.00 N ATOM 443 CA LEU A 28 -11.119 -7.219 -0.601 1.00 0.00 C ATOM 444 C LEU A 28 -11.632 -7.721 -1.928 1.00 0.00 C ATOM 445 O LEU A 28 -12.127 -8.835 -1.991 1.00 0.00 O ATOM 446 CB LEU A 28 -12.232 -6.441 0.136 1.00 0.00 C ATOM 447 CG LEU A 28 -12.243 -6.651 1.655 1.00 0.00 C ATOM 448 CD1 LEU A 28 -10.902 -6.581 2.352 1.00 0.00 C ATOM 449 CD2 LEU A 28 -12.805 -8.006 2.040 1.00 0.00 C ATOM 0 H LEU A 28 -9.899 -5.515 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.873 -8.072 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.116 -5.377 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.199 -6.741 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.860 -5.813 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.039 -6.745 3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.242 -7.349 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.458 -5.599 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.793 -8.110 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.830 -8.091 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.197 -8.792 1.593 1.00 0.00 H new ATOM 461 N GLU A 29 -11.414 -6.954 -3.034 1.00 0.00 N ATOM 462 CA GLU A 29 -11.680 -7.323 -4.427 1.00 0.00 C ATOM 463 C GLU A 29 -10.914 -8.553 -4.879 1.00 0.00 C ATOM 464 O GLU A 29 -11.510 -9.519 -5.336 1.00 0.00 O ATOM 465 CB GLU A 29 -11.322 -6.146 -5.375 1.00 0.00 C ATOM 466 CG GLU A 29 -12.581 -5.416 -5.858 1.00 0.00 C ATOM 467 CD GLU A 29 -12.251 -4.116 -6.593 1.00 0.00 C ATOM 468 OE1 GLU A 29 -13.220 -3.437 -7.027 1.00 0.00 O ATOM 469 OE2 GLU A 29 -11.045 -3.776 -6.729 1.00 0.00 O ATOM 0 H GLU A 29 -11.027 -6.014 -2.957 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.744 -7.554 -4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.669 -5.444 -4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.766 -6.524 -6.233 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.147 -6.071 -6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.221 -5.196 -5.004 1.00 0.00 H new ATOM 476 N LEU A 30 -9.570 -8.526 -4.687 1.00 0.00 N ATOM 477 CA LEU A 30 -8.579 -9.556 -4.977 1.00 0.00 C ATOM 478 C LEU A 30 -8.708 -10.838 -4.164 1.00 0.00 C ATOM 479 O LEU A 30 -8.559 -11.926 -4.714 1.00 0.00 O ATOM 480 CB LEU A 30 -7.201 -8.928 -4.735 1.00 0.00 C ATOM 481 CG LEU A 30 -6.028 -9.604 -5.447 1.00 0.00 C ATOM 482 CD1 LEU A 30 -5.375 -8.572 -6.359 1.00 0.00 C ATOM 483 CD2 LEU A 30 -4.974 -10.158 -4.482 1.00 0.00 C ATOM 0 H LEU A 30 -9.127 -7.699 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.735 -9.874 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.238 -7.884 -5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.003 -8.934 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.420 -10.454 -6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.533 -9.028 -6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.104 -8.217 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.020 -7.732 -5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.169 -10.624 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.569 -9.345 -3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.433 -10.899 -3.828 1.00 0.00 H new ATOM 495 N LEU A 31 -9.082 -10.694 -2.850 1.00 0.00 N ATOM 496 CA LEU A 31 -9.449 -11.685 -1.834 1.00 0.00 C ATOM 497 C LEU A 31 -10.722 -12.393 -2.254 1.00 0.00 C ATOM 498 O LEU A 31 -10.758 -13.612 -2.368 1.00 0.00 O ATOM 499 CB LEU A 31 -9.642 -10.973 -0.457 1.00 0.00 C ATOM 500 CG LEU A 31 -10.061 -11.790 0.789 1.00 0.00 C ATOM 501 CD1 LEU A 31 -10.185 -10.852 2.021 1.00 0.00 C ATOM 502 CD2 LEU A 31 -9.078 -12.945 1.059 1.00 0.00 C ATOM 0 H LEU A 31 -9.132 -9.756 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.655 -12.425 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.703 -10.475 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.390 -10.193 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.035 -12.239 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.480 -11.435 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.224 -10.374 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.937 -10.089 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.401 -13.499 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.057 -13.613 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.080 -12.541 1.230 1.00 0.00 H new ATOM 514 N ARG A 32 -11.783 -11.615 -2.607 1.00 0.00 N ATOM 515 CA ARG A 32 -13.045 -12.097 -3.150 1.00 0.00 C ATOM 516 C ARG A 32 -12.966 -12.806 -4.499 1.00 0.00 C ATOM 517 O ARG A 32 -13.561 -13.866 -4.616 1.00 0.00 O ATOM 518 CB ARG A 32 -14.038 -10.924 -3.326 1.00 0.00 C ATOM 519 CG ARG A 32 -14.707 -10.495 -2.023 1.00 0.00 C ATOM 520 CD ARG A 32 -15.698 -9.336 -2.229 1.00 0.00 C ATOM 521 NE ARG A 32 -14.970 -8.047 -2.475 1.00 0.00 N ATOM 522 CZ ARG A 32 -15.605 -6.845 -2.637 1.00 0.00 C ATOM 523 NH1 ARG A 32 -16.969 -6.769 -2.646 1.00 0.00 N ATOM 524 NH2 ARG A 32 -14.865 -5.709 -2.791 1.00 0.00 N ATOM 0 H ARG A 32 -11.762 -10.600 -2.510 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.371 -12.832 -2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.510 -10.071 -3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.807 -11.213 -4.042 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.232 -11.346 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.943 -10.193 -1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.351 -9.556 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.335 -9.237 -1.350 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.951 -8.067 -2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.528 -7.615 -2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.429 -5.867 -2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.846 -5.759 -2.785 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.331 -4.810 -2.912 1.00 0.00 H new ATOM 538 N ARG A 33 -12.252 -12.282 -5.536 1.00 0.00 N ATOM 539 CA ARG A 33 -12.002 -12.980 -6.801 1.00 0.00 C ATOM 540 C ARG A 33 -11.039 -14.121 -6.842 1.00 0.00 C ATOM 541 O ARG A 33 -11.359 -15.181 -7.368 1.00 0.00 O ATOM 542 CB ARG A 33 -11.743 -12.097 -8.033 1.00 0.00 C ATOM 543 CG ARG A 33 -10.671 -11.003 -7.928 1.00 0.00 C ATOM 544 CD ARG A 33 -10.038 -10.614 -9.268 1.00 0.00 C ATOM 545 NE ARG A 33 -8.918 -9.641 -9.020 1.00 0.00 N ATOM 546 CZ ARG A 33 -7.906 -9.422 -9.918 1.00 0.00 C ATOM 547 NH1 ARG A 33 -7.851 -10.117 -11.093 1.00 0.00 N ATOM 548 NH2 ARG A 33 -6.942 -8.500 -9.638 1.00 0.00 N ATOM 0 H ARG A 33 -11.835 -11.352 -5.502 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.996 -13.423 -6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.471 -12.752 -8.861 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.684 -11.617 -8.302 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.116 -10.116 -7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.886 -11.343 -7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.660 -11.501 -9.777 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.787 -10.167 -9.922 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.911 -9.120 -8.143 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.569 -10.808 -11.311 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.092 -9.944 -11.753 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.976 -7.976 -8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.187 -8.334 -10.303 1.00 0.00 H new ATOM 562 N ARG A 34 -9.788 -13.910 -6.360 1.00 0.00 N ATOM 563 CA ARG A 34 -8.729 -14.881 -6.505 1.00 0.00 C ATOM 564 C ARG A 34 -8.732 -15.986 -5.451 1.00 0.00 C ATOM 565 O ARG A 34 -8.134 -17.043 -5.637 1.00 0.00 O ATOM 566 CB ARG A 34 -7.371 -14.170 -6.704 1.00 0.00 C ATOM 567 CG ARG A 34 -7.496 -13.137 -7.845 1.00 0.00 C ATOM 568 CD ARG A 34 -6.315 -13.112 -8.818 1.00 0.00 C ATOM 569 NE ARG A 34 -5.122 -12.483 -8.154 1.00 0.00 N ATOM 570 CZ ARG A 34 -4.074 -11.954 -8.861 1.00 0.00 C ATOM 571 NH1 ARG A 34 -4.078 -11.951 -10.225 1.00 0.00 N ATOM 572 NH2 ARG A 34 -3.009 -11.422 -8.193 1.00 0.00 N ATOM 0 H ARG A 34 -9.509 -13.062 -5.867 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.926 -15.444 -7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.069 -13.675 -5.781 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.597 -14.900 -6.942 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.407 -13.344 -8.406 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.610 -12.145 -7.408 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.073 -14.126 -9.137 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.582 -12.551 -9.714 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.091 -12.449 -7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.869 -12.346 -10.734 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.290 -11.553 -10.736 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.996 -11.420 -7.173 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.226 -11.027 -8.714 1.00 0.00 H new ATOM 586 N PHE A 35 -9.400 -15.727 -4.297 1.00 0.00 N ATOM 587 CA PHE A 35 -9.468 -16.615 -3.153 1.00 0.00 C ATOM 588 C PHE A 35 -10.915 -17.023 -2.790 1.00 0.00 C ATOM 589 O PHE A 35 -11.108 -18.130 -2.282 1.00 0.00 O ATOM 590 CB PHE A 35 -8.675 -16.036 -1.912 1.00 0.00 C ATOM 591 CG PHE A 35 -7.247 -15.617 -2.196 1.00 0.00 C ATOM 592 CD1 PHE A 35 -6.127 -16.269 -1.695 1.00 0.00 C ATOM 593 CD2 PHE A 35 -7.039 -14.432 -2.879 1.00 0.00 C ATOM 594 CE1 PHE A 35 -4.865 -15.745 -1.897 1.00 0.00 C ATOM 595 CE2 PHE A 35 -5.789 -13.923 -3.106 1.00 0.00 C ATOM 596 CZ PHE A 35 -4.693 -14.571 -2.590 1.00 0.00 C ATOM 0 H PHE A 35 -9.917 -14.859 -4.153 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.968 -17.537 -3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.219 -15.175 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -8.666 -16.789 -1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.244 -17.191 -1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.896 -13.888 -3.247 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.003 -16.264 -1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.665 -13.020 -3.686 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.704 -14.161 -2.728 1.00 0.00 H new ATOM 606 N GLY A 36 -11.988 -16.141 -2.925 1.00 0.00 N ATOM 607 CA GLY A 36 -13.317 -16.340 -2.339 1.00 0.00 C ATOM 608 C GLY A 36 -13.291 -16.132 -0.862 1.00 0.00 C ATOM 609 O GLY A 36 -12.930 -15.060 -0.391 1.00 0.00 O ATOM 0 H GLY A 36 -11.916 -15.273 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.026 -15.648 -2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.668 -17.348 -2.561 1.00 0.00 H new ATOM 613 N THR A 37 -13.598 -17.201 -0.090 1.00 0.00 N ATOM 614 CA THR A 37 -13.403 -17.224 1.342 1.00 0.00 C ATOM 615 C THR A 37 -12.486 -18.446 1.513 1.00 0.00 C ATOM 616 O THR A 37 -12.937 -19.585 1.421 1.00 0.00 O ATOM 617 CB THR A 37 -14.737 -17.428 2.116 1.00 0.00 C ATOM 618 OG1 THR A 37 -15.492 -18.537 1.640 1.00 0.00 O ATOM 619 CG2 THR A 37 -15.721 -16.250 2.015 1.00 0.00 C ATOM 0 H THR A 37 -13.989 -18.066 -0.464 1.00 0.00 H new ATOM 0 HA THR A 37 -12.997 -16.291 1.734 1.00 0.00 H new ATOM 0 HB THR A 37 -14.381 -17.562 3.138 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.885 -19.268 1.402 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.622 -16.479 2.584 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.255 -15.351 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.984 -16.084 0.970 1.00 0.00 H new ATOM 627 N LYS A 38 -11.205 -18.223 1.836 1.00 0.00 N ATOM 628 CA LYS A 38 -10.215 -19.271 2.067 1.00 0.00 C ATOM 629 C LYS A 38 -9.329 -18.887 3.222 1.00 0.00 C ATOM 630 O LYS A 38 -8.936 -17.734 3.344 1.00 0.00 O ATOM 631 CB LYS A 38 -9.325 -19.539 0.840 1.00 0.00 C ATOM 632 CG LYS A 38 -8.593 -20.886 0.974 1.00 0.00 C ATOM 633 CD LYS A 38 -7.471 -21.039 -0.040 1.00 0.00 C ATOM 634 CE LYS A 38 -7.897 -20.943 -1.511 1.00 0.00 C ATOM 635 NZ LYS A 38 -6.741 -21.180 -2.407 1.00 0.00 N ATOM 0 H LYS A 38 -10.824 -17.283 1.945 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.773 -20.183 2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.935 -19.541 -0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.597 -18.735 0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.184 -20.976 1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.308 -21.699 0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.721 -20.272 0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.989 -22.004 0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.679 -21.674 -1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.321 -19.958 -1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.050 -21.111 -3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.007 -20.467 -2.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.354 -22.129 -2.231 1.00 0.00 H new ATOM 649 N ARG A 39 -8.901 -19.853 4.082 1.00 0.00 N ATOM 650 CA ARG A 39 -7.894 -19.626 5.115 1.00 0.00 C ATOM 651 C ARG A 39 -6.484 -19.626 4.496 1.00 0.00 C ATOM 652 O ARG A 39 -5.947 -20.604 3.985 1.00 0.00 O ATOM 653 CB ARG A 39 -8.051 -20.521 6.351 1.00 0.00 C ATOM 654 CG ARG A 39 -7.614 -21.983 6.229 1.00 0.00 C ATOM 655 CD ARG A 39 -8.359 -22.842 5.190 1.00 0.00 C ATOM 656 NE ARG A 39 -9.836 -22.828 5.489 1.00 0.00 N ATOM 657 CZ ARG A 39 -10.801 -23.097 4.552 1.00 0.00 C ATOM 658 NH1 ARG A 39 -10.466 -23.379 3.260 1.00 0.00 N ATOM 659 NH2 ARG A 39 -12.116 -23.079 4.918 1.00 0.00 N ATOM 0 H ARG A 39 -9.257 -20.809 4.064 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.061 -18.630 5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.487 -20.069 7.167 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.101 -20.508 6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.551 -22.002 5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.727 -22.455 7.205 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.177 -22.457 4.187 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.983 -23.865 5.212 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.134 -22.607 6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.486 -23.392 2.979 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.196 -23.577 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.374 -22.867 5.882 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.840 -23.278 4.228 1.00 0.00 H new ATOM 673 N VAL A 40 -5.933 -18.416 4.454 1.00 0.00 N ATOM 674 CA VAL A 40 -4.749 -17.998 3.734 1.00 0.00 C ATOM 675 C VAL A 40 -4.098 -17.001 4.640 1.00 0.00 C ATOM 676 O VAL A 40 -4.767 -16.431 5.486 1.00 0.00 O ATOM 677 CB VAL A 40 -5.098 -17.410 2.352 1.00 0.00 C ATOM 678 CG1 VAL A 40 -6.054 -16.196 2.428 1.00 0.00 C ATOM 679 CG2 VAL A 40 -3.841 -17.073 1.522 1.00 0.00 C ATOM 0 H VAL A 40 -6.346 -17.640 4.971 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.082 -18.829 3.508 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.637 -18.202 1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.259 -15.831 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.988 -16.498 2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.589 -15.403 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.141 -16.662 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.238 -16.340 2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.256 -17.979 1.364 1.00 0.00 H new ATOM 689 N HIS A 41 -2.776 -16.750 4.543 1.00 0.00 N ATOM 690 CA HIS A 41 -2.063 -15.783 5.366 1.00 0.00 C ATOM 691 C HIS A 41 -2.195 -14.375 4.785 1.00 0.00 C ATOM 692 O HIS A 41 -2.162 -14.194 3.566 1.00 0.00 O ATOM 693 CB HIS A 41 -0.589 -16.247 5.465 1.00 0.00 C ATOM 694 CG HIS A 41 0.266 -15.578 6.496 1.00 0.00 C ATOM 695 ND1 HIS A 41 0.968 -14.400 6.368 1.00 0.00 N ATOM 696 CD2 HIS A 41 0.508 -16.023 7.750 1.00 0.00 C ATOM 697 CE1 HIS A 41 1.573 -14.170 7.564 1.00 0.00 C ATOM 698 NE2 HIS A 41 1.299 -15.125 8.444 1.00 0.00 N ATOM 0 H HIS A 41 -2.173 -17.229 3.874 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.490 -15.734 6.368 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.584 -17.319 5.664 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -0.122 -16.101 4.491 1.00 0.00 H new ATOM 0 HD1 HIS A 41 1.023 -13.813 5.536 1.00 0.00 H new ATOM 0 HD2 HIS A 41 0.135 -16.952 8.154 1.00 0.00 H new ATOM 0 HE1 HIS A 41 2.199 -13.315 7.772 1.00 0.00 H new ATOM 706 N ASN A 42 -2.349 -13.318 5.632 1.00 0.00 N ATOM 707 CA ASN A 42 -2.540 -11.923 5.206 1.00 0.00 C ATOM 708 C ASN A 42 -1.380 -11.269 4.424 1.00 0.00 C ATOM 709 O ASN A 42 -1.595 -10.413 3.565 1.00 0.00 O ATOM 710 CB ASN A 42 -2.917 -11.095 6.446 1.00 0.00 C ATOM 711 CG ASN A 42 -3.781 -9.851 6.176 1.00 0.00 C ATOM 712 OD1 ASN A 42 -4.796 -9.664 6.851 1.00 0.00 O ATOM 713 ND2 ASN A 42 -3.355 -8.970 5.243 1.00 0.00 N ATOM 0 H ASN A 42 -2.342 -13.426 6.646 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.339 -11.940 4.465 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.450 -11.741 7.144 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.000 -10.778 6.942 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.879 -8.111 5.076 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.509 -9.164 4.707 1.00 0.00 H new ATOM 720 N ASN A 43 -0.111 -11.730 4.671 1.00 0.00 N ATOM 721 CA ASN A 43 1.115 -11.395 3.896 1.00 0.00 C ATOM 722 C ASN A 43 0.954 -11.920 2.487 1.00 0.00 C ATOM 723 O ASN A 43 1.013 -11.103 1.591 1.00 0.00 O ATOM 724 CB ASN A 43 2.434 -11.814 4.619 1.00 0.00 C ATOM 725 CG ASN A 43 3.680 -11.004 4.201 1.00 0.00 C ATOM 726 OD1 ASN A 43 4.414 -11.370 3.279 1.00 0.00 O ATOM 727 ND2 ASN A 43 3.963 -9.891 4.942 1.00 0.00 N ATOM 0 H ASN A 43 0.084 -12.367 5.444 1.00 0.00 H new ATOM 0 HA ASN A 43 1.225 -10.313 3.829 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.293 -11.709 5.695 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.621 -12.870 4.423 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.798 -9.341 4.738 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.340 -9.610 5.699 1.00 0.00 H new ATOM 734 N ILE A 44 0.556 -13.203 2.243 1.00 0.00 N ATOM 735 CA ILE A 44 0.228 -13.768 0.919 1.00 0.00 C ATOM 736 C ILE A 44 -0.829 -13.013 0.102 1.00 0.00 C ATOM 737 O ILE A 44 -0.638 -12.772 -1.079 1.00 0.00 O ATOM 738 CB ILE A 44 -0.030 -15.271 0.938 1.00 0.00 C ATOM 739 CG1 ILE A 44 1.063 -15.965 1.798 1.00 0.00 C ATOM 740 CG2 ILE A 44 -0.055 -15.788 -0.533 1.00 0.00 C ATOM 741 CD1 ILE A 44 1.066 -17.481 1.609 1.00 0.00 C ATOM 0 H ILE A 44 0.455 -13.886 2.994 1.00 0.00 H new ATOM 0 HA ILE A 44 1.155 -13.606 0.369 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.994 -15.504 1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.041 -15.565 1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.899 -15.732 2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.239 -16.862 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.848 -15.282 -1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.904 -15.582 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.846 -17.923 2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.097 -17.886 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.258 -17.717 0.562 1.00 0.00 H new ATOM 753 N VAL A 45 -1.933 -12.543 0.732 1.00 0.00 N ATOM 754 CA VAL A 45 -2.952 -11.694 0.072 1.00 0.00 C ATOM 755 C VAL A 45 -2.431 -10.263 -0.194 1.00 0.00 C ATOM 756 O VAL A 45 -2.674 -9.739 -1.276 1.00 0.00 O ATOM 757 CB VAL A 45 -4.329 -11.644 0.767 1.00 0.00 C ATOM 758 CG1 VAL A 45 -4.843 -13.044 1.146 1.00 0.00 C ATOM 759 CG2 VAL A 45 -5.408 -11.002 -0.147 1.00 0.00 C ATOM 0 H VAL A 45 -2.141 -12.742 1.711 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.126 -12.199 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.174 -11.045 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.815 -12.956 1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.941 -13.651 0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.138 -13.518 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.364 -10.984 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.113 -9.983 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.506 -11.587 -1.061 1.00 0.00 H new ATOM 769 N TYR A 46 -1.646 -9.625 0.750 1.00 0.00 N ATOM 770 CA TYR A 46 -0.985 -8.293 0.630 1.00 0.00 C ATOM 771 C TYR A 46 0.078 -8.298 -0.449 1.00 0.00 C ATOM 772 O TYR A 46 0.017 -7.487 -1.361 1.00 0.00 O ATOM 773 CB TYR A 46 -0.338 -7.791 1.978 1.00 0.00 C ATOM 774 CG TYR A 46 -0.250 -6.283 2.276 1.00 0.00 C ATOM 775 CD1 TYR A 46 -0.206 -5.210 1.381 1.00 0.00 C ATOM 776 CD2 TYR A 46 -0.280 -5.947 3.620 1.00 0.00 C ATOM 777 CE1 TYR A 46 -0.383 -3.901 1.810 1.00 0.00 C ATOM 778 CE2 TYR A 46 -0.633 -4.680 4.020 1.00 0.00 C ATOM 779 CZ TYR A 46 -0.700 -3.648 3.123 1.00 0.00 C ATOM 780 OH TYR A 46 -1.097 -2.369 3.565 1.00 0.00 O ATOM 0 H TYR A 46 -1.457 -10.058 1.654 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.785 -7.602 0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.894 -8.251 2.795 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.676 -8.189 2.019 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.031 -5.403 0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.023 -6.689 4.362 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.272 -3.084 1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.861 -4.496 5.059 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.075 -2.321 3.592 1.00 0.00 H new ATOM 790 N ASN A 47 1.012 -9.295 -0.399 1.00 0.00 N ATOM 791 CA ASN A 47 2.106 -9.615 -1.315 1.00 0.00 C ATOM 792 C ASN A 47 1.651 -9.914 -2.731 1.00 0.00 C ATOM 793 O ASN A 47 2.341 -9.648 -3.714 1.00 0.00 O ATOM 794 CB ASN A 47 2.940 -10.780 -0.646 1.00 0.00 C ATOM 795 CG ASN A 47 2.886 -12.268 -1.084 1.00 0.00 C ATOM 796 OD1 ASN A 47 2.452 -12.733 -2.134 1.00 0.00 O ATOM 797 ND2 ASN A 47 3.376 -13.110 -0.136 1.00 0.00 N ATOM 0 H ASN A 47 0.998 -9.956 0.378 1.00 0.00 H new ATOM 0 HA ASN A 47 2.742 -8.741 -1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.986 -10.482 -0.720 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.679 -10.768 0.412 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.380 -14.117 -0.301 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.739 -12.735 0.740 1.00 0.00 H new ATOM 804 N GLU A 48 0.407 -10.465 -2.827 1.00 0.00 N ATOM 805 CA GLU A 48 -0.287 -10.797 -4.059 1.00 0.00 C ATOM 806 C GLU A 48 -0.950 -9.568 -4.668 1.00 0.00 C ATOM 807 O GLU A 48 -0.813 -9.288 -5.856 1.00 0.00 O ATOM 808 CB GLU A 48 -1.312 -11.952 -3.863 1.00 0.00 C ATOM 809 CG GLU A 48 -1.946 -12.452 -5.172 1.00 0.00 C ATOM 810 CD GLU A 48 -2.537 -13.858 -5.085 1.00 0.00 C ATOM 811 OE1 GLU A 48 -3.700 -14.036 -5.542 1.00 0.00 O ATOM 812 OE2 GLU A 48 -1.829 -14.776 -4.592 1.00 0.00 O ATOM 0 H GLU A 48 -0.144 -10.691 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 48 0.466 -11.156 -4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.814 -12.787 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.103 -11.613 -3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.732 -11.758 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.191 -12.436 -5.958 1.00 0.00 H new ATOM 819 N TYR A 49 -1.647 -8.765 -3.804 1.00 0.00 N ATOM 820 CA TYR A 49 -2.330 -7.487 -4.057 1.00 0.00 C ATOM 821 C TYR A 49 -1.406 -6.410 -4.632 1.00 0.00 C ATOM 822 O TYR A 49 -1.754 -5.735 -5.590 1.00 0.00 O ATOM 823 CB TYR A 49 -3.192 -7.084 -2.788 1.00 0.00 C ATOM 824 CG TYR A 49 -3.263 -5.629 -2.405 1.00 0.00 C ATOM 825 CD1 TYR A 49 -4.021 -4.691 -3.068 1.00 0.00 C ATOM 826 CD2 TYR A 49 -2.349 -5.189 -1.483 1.00 0.00 C ATOM 827 CE1 TYR A 49 -3.805 -3.350 -2.828 1.00 0.00 C ATOM 828 CE2 TYR A 49 -2.052 -3.862 -1.338 1.00 0.00 C ATOM 829 CZ TYR A 49 -2.789 -2.918 -2.001 1.00 0.00 C ATOM 830 OH TYR A 49 -2.481 -1.548 -1.861 1.00 0.00 O ATOM 0 H TYR A 49 -1.744 -9.036 -2.826 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.045 -7.608 -4.871 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.211 -7.434 -2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.801 -7.634 -1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.779 -5.003 -3.771 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.849 -5.911 -0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.447 -2.620 -3.299 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.235 -3.559 -0.700 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.614 -1.363 -2.279 1.00 0.00 H new ATOM 840 N ILE A 50 -0.198 -6.239 -4.068 1.00 0.00 N ATOM 841 CA ILE A 50 0.772 -5.212 -4.439 1.00 0.00 C ATOM 842 C ILE A 50 1.663 -5.382 -5.645 1.00 0.00 C ATOM 843 O ILE A 50 2.434 -4.472 -5.948 1.00 0.00 O ATOM 844 CB ILE A 50 1.672 -4.837 -3.299 1.00 0.00 C ATOM 845 CG1 ILE A 50 2.501 -6.017 -2.746 1.00 0.00 C ATOM 846 CG2 ILE A 50 0.774 -4.286 -2.232 1.00 0.00 C ATOM 847 CD1 ILE A 50 3.275 -5.794 -1.450 1.00 0.00 C ATOM 0 H ILE A 50 0.136 -6.839 -3.313 1.00 0.00 H new ATOM 0 HA ILE A 50 0.057 -4.443 -4.731 1.00 0.00 H new ATOM 0 HB ILE A 50 2.412 -4.115 -3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.826 -6.859 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.213 -6.316 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.372 -3.993 -1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.242 -3.416 -2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.054 -5.048 -1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.809 -6.706 -1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.990 -4.983 -1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.580 -5.534 -0.651 1.00 0.00 H new ATOM 859 N SER A 51 1.584 -6.514 -6.380 1.00 0.00 N ATOM 860 CA SER A 51 2.349 -6.722 -7.625 1.00 0.00 C ATOM 861 C SER A 51 1.646 -6.117 -8.869 1.00 0.00 C ATOM 862 O SER A 51 2.077 -6.293 -10.005 1.00 0.00 O ATOM 863 CB SER A 51 2.776 -8.196 -7.871 1.00 0.00 C ATOM 864 OG SER A 51 3.818 -8.267 -8.850 1.00 0.00 O ATOM 0 H SER A 51 0.991 -7.304 -6.126 1.00 0.00 H new ATOM 0 HA SER A 51 3.274 -6.167 -7.470 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.118 -8.641 -6.937 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.917 -8.777 -8.205 1.00 0.00 H new ATOM 0 HG SER A 51 3.591 -7.694 -9.612 1.00 0.00 H new ATOM 870 N HIS A 52 0.561 -5.357 -8.602 1.00 0.00 N ATOM 871 CA HIS A 52 -0.293 -4.539 -9.445 1.00 0.00 C ATOM 872 C HIS A 52 0.192 -3.073 -9.278 1.00 0.00 C ATOM 873 O HIS A 52 1.338 -2.833 -8.908 1.00 0.00 O ATOM 874 CB HIS A 52 -1.747 -4.755 -8.924 1.00 0.00 C ATOM 875 CG HIS A 52 -2.329 -6.139 -9.156 1.00 0.00 C ATOM 876 ND1 HIS A 52 -3.216 -6.467 -10.167 1.00 0.00 N ATOM 877 CD2 HIS A 52 -2.244 -7.256 -8.376 1.00 0.00 C ATOM 878 CE1 HIS A 52 -3.628 -7.741 -9.937 1.00 0.00 C ATOM 879 NE2 HIS A 52 -3.065 -8.258 -8.870 1.00 0.00 N ATOM 0 H HIS A 52 0.229 -5.308 -7.639 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.260 -4.790 -10.505 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.765 -4.548 -7.854 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.397 -4.022 -9.402 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -3.505 -5.866 -10.939 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.624 -7.347 -7.497 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.336 -8.267 -10.560 1.00 0.00 H new ATOM 887 N ARG A 53 -0.649 -2.016 -9.503 1.00 0.00 N ATOM 888 CA ARG A 53 -0.273 -0.591 -9.361 1.00 0.00 C ATOM 889 C ARG A 53 0.025 -0.092 -7.944 1.00 0.00 C ATOM 890 O ARG A 53 0.904 0.725 -7.687 1.00 0.00 O ATOM 891 CB ARG A 53 -1.301 0.382 -10.016 1.00 0.00 C ATOM 892 CG ARG A 53 -2.724 0.318 -9.424 1.00 0.00 C ATOM 893 CD ARG A 53 -3.117 1.325 -8.309 1.00 0.00 C ATOM 894 NE ARG A 53 -3.139 2.711 -8.895 1.00 0.00 N ATOM 895 CZ ARG A 53 -3.028 3.854 -8.148 1.00 0.00 C ATOM 896 NH1 ARG A 53 -2.874 3.799 -6.793 1.00 0.00 N ATOM 897 NH2 ARG A 53 -3.066 5.068 -8.773 1.00 0.00 N ATOM 0 H ARG A 53 -1.619 -2.143 -9.792 1.00 0.00 H new ATOM 0 HA ARG A 53 0.674 -0.574 -9.900 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.928 1.401 -9.918 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.357 0.164 -11.083 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.429 0.444 -10.246 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.872 -0.687 -9.028 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.095 1.072 -7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.404 1.274 -7.486 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.242 2.805 -9.905 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.840 2.896 -6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.793 4.661 -6.254 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.176 5.117 -9.786 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.984 5.926 -8.227 1.00 0.00 H new ATOM 911 N GLU A 54 -0.830 -0.588 -7.034 1.00 0.00 N ATOM 912 CA GLU A 54 -1.136 -0.326 -5.646 1.00 0.00 C ATOM 913 C GLU A 54 -0.117 -0.548 -4.571 1.00 0.00 C ATOM 914 O GLU A 54 -0.510 -0.569 -3.404 1.00 0.00 O ATOM 915 CB GLU A 54 -2.399 -1.155 -5.351 1.00 0.00 C ATOM 916 CG GLU A 54 -2.190 -2.651 -5.656 1.00 0.00 C ATOM 917 CD GLU A 54 -3.388 -3.152 -6.468 1.00 0.00 C ATOM 918 OE1 GLU A 54 -3.698 -2.517 -7.513 1.00 0.00 O ATOM 919 OE2 GLU A 54 -4.008 -4.174 -6.084 1.00 0.00 O ATOM 0 H GLU A 54 -1.442 -1.342 -7.347 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.225 0.758 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.676 -1.033 -4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.229 -0.776 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.265 -2.798 -6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.097 -3.217 -4.729 1.00 0.00 H new ATOM 926 N HIS A 55 1.183 -0.770 -4.931 1.00 0.00 N ATOM 927 CA HIS A 55 2.321 -1.039 -4.042 1.00 0.00 C ATOM 928 C HIS A 55 2.490 -0.122 -2.831 1.00 0.00 C ATOM 929 O HIS A 55 2.907 1.032 -2.900 1.00 0.00 O ATOM 930 CB HIS A 55 3.680 -1.275 -4.755 1.00 0.00 C ATOM 931 CG HIS A 55 4.725 -1.830 -3.805 1.00 0.00 C ATOM 932 ND1 HIS A 55 5.842 -1.141 -3.378 1.00 0.00 N ATOM 933 CD2 HIS A 55 4.670 -2.953 -3.036 1.00 0.00 C ATOM 934 CE1 HIS A 55 6.411 -1.875 -2.388 1.00 0.00 C ATOM 935 NE2 HIS A 55 5.731 -2.978 -2.135 1.00 0.00 N ATOM 0 H HIS A 55 1.465 -0.762 -5.911 1.00 0.00 H new ATOM 0 HA HIS A 55 2.001 -1.996 -3.630 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.540 -1.967 -5.586 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.036 -0.336 -5.179 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.910 -3.717 -3.114 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.314 -1.590 -1.868 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.937 -3.690 -1.435 1.00 0.00 H new ATOM 943 N ILE A 56 2.068 -0.730 -1.704 1.00 0.00 N ATOM 944 CA ILE A 56 1.960 -0.320 -0.330 1.00 0.00 C ATOM 945 C ILE A 56 2.551 -1.518 0.372 1.00 0.00 C ATOM 946 O ILE A 56 2.599 -2.604 -0.191 1.00 0.00 O ATOM 947 CB ILE A 56 0.492 -0.160 0.036 1.00 0.00 C ATOM 948 CG1 ILE A 56 0.017 1.130 -0.644 1.00 0.00 C ATOM 949 CG2 ILE A 56 0.145 -0.106 1.555 1.00 0.00 C ATOM 950 CD1 ILE A 56 -1.440 1.328 -0.313 1.00 0.00 C ATOM 0 H ILE A 56 1.742 -1.693 -1.781 1.00 0.00 H new ATOM 0 HA ILE A 56 2.444 0.626 -0.087 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.015 -1.063 -0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.604 1.981 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.156 1.064 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.932 0.010 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.468 -1.030 2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.656 0.740 2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.800 2.241 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.015 0.478 -0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.560 1.408 0.767 1.00 0.00 H new ATOM 962 N HIS A 57 2.956 -1.389 1.644 1.00 0.00 N ATOM 963 CA HIS A 57 3.261 -2.503 2.513 1.00 0.00 C ATOM 964 C HIS A 57 2.559 -2.119 3.804 1.00 0.00 C ATOM 965 O HIS A 57 2.363 -0.926 4.034 1.00 0.00 O ATOM 966 CB HIS A 57 4.775 -2.782 2.616 1.00 0.00 C ATOM 967 CG HIS A 57 5.047 -4.155 2.065 1.00 0.00 C ATOM 968 ND1 HIS A 57 5.545 -4.466 0.815 1.00 0.00 N ATOM 969 CD2 HIS A 57 4.659 -5.338 2.614 1.00 0.00 C ATOM 970 CE1 HIS A 57 5.458 -5.818 0.692 1.00 0.00 C ATOM 971 NE2 HIS A 57 4.905 -6.386 1.752 1.00 0.00 N ATOM 0 H HIS A 57 3.079 -0.482 2.094 1.00 0.00 H new ATOM 0 HA HIS A 57 2.908 -3.469 2.151 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.337 -2.032 2.059 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.102 -2.719 3.654 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.217 -5.442 3.594 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.801 -6.366 -0.173 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.706 -7.376 1.898 1.00 0.00 H new ATOM 979 N MET A 58 2.154 -3.086 4.687 1.00 0.00 N ATOM 980 CA MET A 58 1.326 -2.965 5.927 1.00 0.00 C ATOM 981 C MET A 58 1.697 -1.960 6.979 1.00 0.00 C ATOM 982 O MET A 58 0.963 -1.644 7.904 1.00 0.00 O ATOM 983 CB MET A 58 1.169 -4.343 6.651 1.00 0.00 C ATOM 984 CG MET A 58 2.091 -4.728 7.844 1.00 0.00 C ATOM 985 SD MET A 58 1.648 -4.208 9.548 1.00 0.00 S ATOM 986 CE MET A 58 -0.173 -4.231 9.468 1.00 0.00 C ATOM 0 H MET A 58 2.425 -4.057 4.532 1.00 0.00 H new ATOM 0 HA MET A 58 0.406 -2.581 5.487 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.141 -4.401 7.009 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.286 -5.118 5.893 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.179 -5.814 7.849 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.082 -4.329 7.630 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.583 -4.094 10.469 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.519 -3.425 8.820 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.508 -5.188 9.067 1.00 0.00 H new ATOM 996 N ASN A 59 2.922 -1.479 6.797 1.00 0.00 N ATOM 997 CA ASN A 59 3.740 -0.621 7.573 1.00 0.00 C ATOM 998 C ASN A 59 3.403 0.876 7.241 1.00 0.00 C ATOM 999 O ASN A 59 3.641 1.796 8.025 1.00 0.00 O ATOM 1000 CB ASN A 59 5.196 -1.135 7.255 1.00 0.00 C ATOM 1001 CG ASN A 59 5.209 -2.691 7.333 1.00 0.00 C ATOM 1002 OD1 ASN A 59 5.155 -3.254 8.425 1.00 0.00 O ATOM 1003 ND2 ASN A 59 5.151 -3.408 6.169 1.00 0.00 N ATOM 0 H ASN A 59 3.424 -1.744 5.950 1.00 0.00 H new ATOM 0 HA ASN A 59 3.592 -0.646 8.653 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.504 -0.805 6.263 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.908 -0.716 7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.062 -4.424 6.200 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.197 -2.927 5.271 1.00 0.00 H new ATOM 1010 N ALA A 60 2.766 1.095 6.035 1.00 0.00 N ATOM 1011 CA ALA A 60 2.220 2.334 5.449 1.00 0.00 C ATOM 1012 C ALA A 60 0.742 2.556 5.759 1.00 0.00 C ATOM 1013 O ALA A 60 -0.039 2.842 4.856 1.00 0.00 O ATOM 1014 CB ALA A 60 2.315 2.319 3.895 1.00 0.00 C ATOM 0 H ALA A 60 2.618 0.311 5.399 1.00 0.00 H new ATOM 0 HA ALA A 60 2.823 3.124 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.904 3.247 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.359 2.226 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.749 1.474 3.504 1.00 0.00 H new ATOM 1020 N THR A 61 0.321 2.386 7.037 1.00 0.00 N ATOM 1021 CA THR A 61 -1.099 2.468 7.414 1.00 0.00 C ATOM 1022 C THR A 61 -1.243 2.664 8.926 1.00 0.00 C ATOM 1023 O THR A 61 -0.265 2.921 9.627 1.00 0.00 O ATOM 1024 CB THR A 61 -1.934 1.365 6.744 1.00 0.00 C ATOM 1025 OG1 THR A 61 -3.329 1.390 7.036 1.00 0.00 O ATOM 1026 CG2 THR A 61 -1.298 -0.008 6.988 1.00 0.00 C ATOM 0 H THR A 61 0.949 2.192 7.817 1.00 0.00 H new ATOM 0 HA THR A 61 -1.556 3.368 7.002 1.00 0.00 H new ATOM 0 HB THR A 61 -1.907 1.580 5.676 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.575 0.580 7.529 1.00 0.00 H new ATOM 0 HG21 THR A 61 -1.901 -0.779 6.508 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.291 -0.022 6.571 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.249 -0.201 8.060 1.00 0.00 H new ATOM 1034 N GLN A 62 -2.494 2.588 9.464 1.00 0.00 N ATOM 1035 CA GLN A 62 -2.867 2.839 10.874 1.00 0.00 C ATOM 1036 C GLN A 62 -2.478 1.756 11.876 1.00 0.00 C ATOM 1037 O GLN A 62 -2.310 2.003 13.072 1.00 0.00 O ATOM 1038 CB GLN A 62 -4.404 3.096 11.007 1.00 0.00 C ATOM 1039 CG GLN A 62 -4.929 3.332 12.454 1.00 0.00 C ATOM 1040 CD GLN A 62 -6.292 4.020 12.518 1.00 0.00 C ATOM 1041 OE1 GLN A 62 -6.354 5.252 12.514 1.00 0.00 O ATOM 1042 NE2 GLN A 62 -7.397 3.240 12.625 1.00 0.00 N ATOM 0 H GLN A 62 -3.302 2.338 8.894 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.281 3.720 11.134 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.662 3.965 10.401 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.934 2.243 10.583 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.994 2.372 12.967 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.203 3.936 12.999 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.306 2.224 12.625 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.319 3.670 12.706 1.00 0.00 H new ATOM 1051 N TRP A 63 -2.357 0.521 11.371 1.00 0.00 N ATOM 1052 CA TRP A 63 -2.055 -0.673 12.114 1.00 0.00 C ATOM 1053 C TRP A 63 -0.539 -0.914 12.109 1.00 0.00 C ATOM 1054 O TRP A 63 0.062 -1.119 11.058 1.00 0.00 O ATOM 1055 CB TRP A 63 -2.890 -1.850 11.521 1.00 0.00 C ATOM 1056 CG TRP A 63 -4.288 -1.450 10.983 1.00 0.00 C ATOM 1057 CD1 TRP A 63 -5.468 -1.261 11.658 1.00 0.00 C ATOM 1058 CD2 TRP A 63 -4.612 -1.272 9.584 1.00 0.00 C ATOM 1059 NE1 TRP A 63 -6.493 -0.984 10.765 1.00 0.00 N ATOM 1060 CE2 TRP A 63 -5.976 -1.008 9.491 1.00 0.00 C ATOM 1061 CE3 TRP A 63 -3.848 -1.351 8.456 1.00 0.00 C ATOM 1062 CZ2 TRP A 63 -6.583 -0.872 8.274 1.00 0.00 C ATOM 1063 CZ3 TRP A 63 -4.481 -1.288 7.223 1.00 0.00 C ATOM 1064 CH2 TRP A 63 -5.832 -1.033 7.131 1.00 0.00 C ATOM 0 H TRP A 63 -2.477 0.336 10.375 1.00 0.00 H new ATOM 0 HA TRP A 63 -2.337 -0.578 13.162 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -2.322 -2.308 10.711 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -3.017 -2.611 12.291 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -5.582 -1.320 12.730 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.465 -0.795 11.011 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.776 -1.460 8.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.636 -0.642 8.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -3.906 -1.441 6.322 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -6.302 -0.959 6.162 1.00 0.00 H new ATOM 1075 N GLU A 64 0.128 -0.893 13.299 1.00 0.00 N ATOM 1076 CA GLU A 64 1.571 -1.108 13.460 1.00 0.00 C ATOM 1077 C GLU A 64 2.023 -2.533 13.166 1.00 0.00 C ATOM 1078 O GLU A 64 2.984 -2.791 12.443 1.00 0.00 O ATOM 1079 CB GLU A 64 2.055 -0.729 14.870 1.00 0.00 C ATOM 1080 CG GLU A 64 3.587 -0.825 15.013 1.00 0.00 C ATOM 1081 CD GLU A 64 4.317 0.216 14.160 1.00 0.00 C ATOM 1082 OE1 GLU A 64 5.143 -0.194 13.300 1.00 0.00 O ATOM 1083 OE2 GLU A 64 4.064 1.434 14.360 1.00 0.00 O ATOM 0 H GLU A 64 -0.347 -0.721 14.185 1.00 0.00 H new ATOM 0 HA GLU A 64 2.021 -0.451 12.716 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.735 0.287 15.100 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.583 -1.385 15.601 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.861 -0.691 16.059 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.915 -1.823 14.723 1.00 0.00 H new ATOM 1090 N THR A 65 1.294 -3.485 13.787 1.00 0.00 N ATOM 1091 CA THR A 65 1.510 -4.916 13.718 1.00 0.00 C ATOM 1092 C THR A 65 0.412 -5.468 12.811 1.00 0.00 C ATOM 1093 O THR A 65 -0.644 -4.846 12.705 1.00 0.00 O ATOM 1094 CB THR A 65 1.452 -5.580 15.113 1.00 0.00 C ATOM 1095 OG1 THR A 65 0.183 -5.471 15.756 1.00 0.00 O ATOM 1096 CG2 THR A 65 2.464 -4.908 16.053 1.00 0.00 C ATOM 0 H THR A 65 0.499 -3.245 14.379 1.00 0.00 H new ATOM 0 HA THR A 65 2.504 -5.132 13.327 1.00 0.00 H new ATOM 0 HB THR A 65 1.668 -6.633 14.934 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.220 -5.913 16.630 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.418 -5.380 17.034 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.469 -5.017 15.644 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.224 -3.849 16.149 1.00 0.00 H new ATOM 1104 N LEU A 66 0.548 -6.665 12.159 1.00 0.00 N ATOM 1105 CA LEU A 66 -0.479 -7.285 11.293 1.00 0.00 C ATOM 1106 C LEU A 66 -1.731 -7.720 12.067 1.00 0.00 C ATOM 1107 O LEU A 66 -2.856 -7.683 11.573 1.00 0.00 O ATOM 1108 CB LEU A 66 0.131 -8.443 10.444 1.00 0.00 C ATOM 1109 CG LEU A 66 -0.535 -8.874 9.093 1.00 0.00 C ATOM 1110 CD1 LEU A 66 -0.111 -8.054 7.860 1.00 0.00 C ATOM 1111 CD2 LEU A 66 -2.062 -8.939 9.085 1.00 0.00 C ATOM 0 H LEU A 66 1.396 -7.228 12.230 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.821 -6.515 10.601 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.163 -8.170 10.222 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.165 -9.326 11.082 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.139 -9.887 9.018 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.627 -8.431 6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.371 -7.007 8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.966 -8.143 7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.408 -9.248 8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.399 -9.660 9.830 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.469 -7.956 9.321 1.00 0.00 H new ATOM 1123 N THR A 67 -1.571 -8.052 13.376 1.00 0.00 N ATOM 1124 CA THR A 67 -2.499 -8.445 14.422 1.00 0.00 C ATOM 1125 C THR A 67 -3.538 -7.387 14.636 1.00 0.00 C ATOM 1126 O THR A 67 -4.702 -7.713 14.736 1.00 0.00 O ATOM 1127 CB THR A 67 -1.742 -8.731 15.725 1.00 0.00 C ATOM 1128 OG1 THR A 67 -0.707 -9.674 15.483 1.00 0.00 O ATOM 1129 CG2 THR A 67 -2.686 -9.339 16.767 1.00 0.00 C ATOM 0 H THR A 67 -0.626 -8.041 13.760 1.00 0.00 H new ATOM 0 HA THR A 67 -3.006 -9.357 14.108 1.00 0.00 H new ATOM 0 HB THR A 67 -1.331 -7.790 16.091 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.100 -10.558 15.324 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.135 -9.537 17.686 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.498 -8.641 16.974 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.098 -10.272 16.384 1.00 0.00 H new ATOM 1137 N ASP A 68 -3.174 -6.080 14.613 1.00 0.00 N ATOM 1138 CA ASP A 68 -4.105 -4.947 14.649 1.00 0.00 C ATOM 1139 C ASP A 68 -4.917 -4.675 13.376 1.00 0.00 C ATOM 1140 O ASP A 68 -6.058 -4.216 13.451 1.00 0.00 O ATOM 1141 CB ASP A 68 -3.358 -3.656 15.104 1.00 0.00 C ATOM 1142 CG ASP A 68 -4.260 -2.708 15.900 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -4.762 -3.132 16.975 1.00 0.00 O ATOM 1144 OD2 ASP A 68 -4.458 -1.552 15.440 1.00 0.00 O ATOM 0 H ASP A 68 -2.198 -5.788 14.568 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.860 -5.248 15.376 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.499 -3.933 15.714 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.972 -3.135 14.228 1.00 0.00 H new ATOM 1149 N PHE A 69 -4.368 -5.012 12.164 1.00 0.00 N ATOM 1150 CA PHE A 69 -5.076 -4.971 10.870 1.00 0.00 C ATOM 1151 C PHE A 69 -6.081 -6.124 10.793 1.00 0.00 C ATOM 1152 O PHE A 69 -7.183 -5.987 10.280 1.00 0.00 O ATOM 1153 CB PHE A 69 -4.091 -5.005 9.645 1.00 0.00 C ATOM 1154 CG PHE A 69 -4.788 -5.092 8.283 1.00 0.00 C ATOM 1155 CD1 PHE A 69 -4.608 -6.174 7.435 1.00 0.00 C ATOM 1156 CD2 PHE A 69 -5.773 -4.184 7.951 1.00 0.00 C ATOM 1157 CE1 PHE A 69 -5.395 -6.324 6.313 1.00 0.00 C ATOM 1158 CE2 PHE A 69 -6.532 -4.301 6.808 1.00 0.00 C ATOM 1159 CZ PHE A 69 -6.350 -5.385 5.987 1.00 0.00 C ATOM 0 H PHE A 69 -3.401 -5.324 12.074 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.609 -4.022 10.814 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.470 -4.109 9.667 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.422 -5.859 9.754 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.845 -6.906 7.655 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.955 -3.350 8.613 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.261 -7.189 5.681 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.264 -3.546 6.560 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.948 -5.501 5.095 1.00 0.00 H new ATOM 1169 N THR A 70 -5.704 -7.279 11.397 1.00 0.00 N ATOM 1170 CA THR A 70 -6.518 -8.484 11.552 1.00 0.00 C ATOM 1171 C THR A 70 -7.623 -8.265 12.588 1.00 0.00 C ATOM 1172 O THR A 70 -8.774 -8.646 12.372 1.00 0.00 O ATOM 1173 CB THR A 70 -5.699 -9.762 11.688 1.00 0.00 C ATOM 1174 OG1 THR A 70 -4.447 -9.586 12.298 1.00 0.00 O ATOM 1175 CG2 THR A 70 -5.427 -10.335 10.284 1.00 0.00 C ATOM 0 H THR A 70 -4.776 -7.388 11.805 1.00 0.00 H new ATOM 0 HA THR A 70 -7.046 -8.666 10.616 1.00 0.00 H new ATOM 0 HB THR A 70 -6.292 -10.423 12.320 1.00 0.00 H new ATOM 0 HG1 THR A 70 -3.848 -9.111 11.685 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.841 -11.250 10.372 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.374 -10.556 9.792 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.873 -9.605 9.694 1.00 0.00 H new ATOM 1183 N LYS A 71 -7.306 -7.507 13.694 1.00 0.00 N ATOM 1184 CA LYS A 71 -8.332 -6.998 14.637 1.00 0.00 C ATOM 1185 C LYS A 71 -9.359 -6.003 14.043 1.00 0.00 C ATOM 1186 O LYS A 71 -10.534 -6.059 14.388 1.00 0.00 O ATOM 1187 CB LYS A 71 -7.780 -6.310 15.931 1.00 0.00 C ATOM 1188 CG LYS A 71 -6.826 -7.133 16.822 1.00 0.00 C ATOM 1189 CD LYS A 71 -7.131 -8.637 16.826 1.00 0.00 C ATOM 1190 CE LYS A 71 -6.158 -9.553 17.583 1.00 0.00 C ATOM 1191 NZ LYS A 71 -6.837 -10.786 18.051 1.00 0.00 N ATOM 0 H LYS A 71 -6.352 -7.245 13.940 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.818 -7.942 14.883 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.260 -5.399 15.633 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.631 -6.006 16.540 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.802 -6.980 16.482 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.882 -6.757 17.844 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.125 -8.778 17.250 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.175 -8.975 15.791 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.324 -9.818 16.933 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.740 -9.018 18.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.156 -11.386 18.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.618 -10.531 18.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.214 -11.306 17.233 1.00 0.00 H new ATOM 1205 N TRP A 72 -8.928 -5.080 13.140 1.00 0.00 N ATOM 1206 CA TRP A 72 -9.786 -4.074 12.496 1.00 0.00 C ATOM 1207 C TRP A 72 -10.587 -4.621 11.315 1.00 0.00 C ATOM 1208 O TRP A 72 -11.792 -4.422 11.261 1.00 0.00 O ATOM 1209 CB TRP A 72 -9.028 -2.758 12.110 1.00 0.00 C ATOM 1210 CG TRP A 72 -9.847 -1.678 11.365 1.00 0.00 C ATOM 1211 CD1 TRP A 72 -10.701 -0.714 11.827 1.00 0.00 C ATOM 1212 CD2 TRP A 72 -9.977 -1.672 9.930 1.00 0.00 C ATOM 1213 NE1 TRP A 72 -11.327 -0.089 10.763 1.00 0.00 N ATOM 1214 CE2 TRP A 72 -10.887 -0.673 9.592 1.00 0.00 C ATOM 1215 CE3 TRP A 72 -9.423 -2.472 8.973 1.00 0.00 C ATOM 1216 CZ2 TRP A 72 -11.192 -0.408 8.282 1.00 0.00 C ATOM 1217 CZ3 TRP A 72 -9.755 -2.229 7.670 1.00 0.00 C ATOM 1218 CH2 TRP A 72 -10.563 -1.169 7.316 1.00 0.00 C ATOM 0 H TRP A 72 -7.955 -5.022 12.841 1.00 0.00 H new ATOM 0 HA TRP A 72 -10.507 -3.806 13.268 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -8.630 -2.314 13.023 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.174 -3.027 11.488 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -10.863 -0.476 12.868 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -12.000 0.674 10.832 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -8.745 -3.270 9.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -11.897 0.366 8.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -9.375 -2.883 6.899 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -10.706 -0.931 6.272 1.00 0.00 H new ATOM 1229 N LEU A 73 -9.959 -5.308 10.322 1.00 0.00 N ATOM 1230 CA LEU A 73 -10.571 -5.919 9.123 1.00 0.00 C ATOM 1231 C LEU A 73 -11.519 -7.068 9.384 1.00 0.00 C ATOM 1232 O LEU A 73 -12.565 -7.230 8.750 1.00 0.00 O ATOM 1233 CB LEU A 73 -9.478 -6.229 8.087 1.00 0.00 C ATOM 1234 CG LEU A 73 -9.745 -7.235 6.930 1.00 0.00 C ATOM 1235 CD1 LEU A 73 -10.053 -6.449 5.669 1.00 0.00 C ATOM 1236 CD2 LEU A 73 -8.521 -8.103 6.599 1.00 0.00 C ATOM 0 H LEU A 73 -8.950 -5.456 10.345 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.247 -5.175 8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.191 -5.282 7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.610 -6.594 8.636 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.564 -7.877 7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.243 -7.139 4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.934 -5.829 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.203 -5.813 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.768 -8.785 5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.692 -7.463 6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.234 -8.678 7.479 1.00 0.00 H new ATOM 1248 N GLY A 74 -11.165 -7.864 10.434 1.00 0.00 N ATOM 1249 CA GLY A 74 -11.982 -8.892 11.088 1.00 0.00 C ATOM 1250 C GLY A 74 -13.224 -8.343 11.766 1.00 0.00 C ATOM 1251 O GLY A 74 -14.254 -8.990 11.919 1.00 0.00 O ATOM 0 H GLY A 74 -10.242 -7.789 10.862 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.281 -9.633 10.346 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.373 -9.411 11.829 1.00 0.00 H new ATOM 1255 N ARG A 75 -13.128 -7.062 12.189 1.00 0.00 N ATOM 1256 CA ARG A 75 -14.172 -6.284 12.851 1.00 0.00 C ATOM 1257 C ARG A 75 -15.197 -5.650 11.944 1.00 0.00 C ATOM 1258 O ARG A 75 -16.288 -5.287 12.375 1.00 0.00 O ATOM 1259 CB ARG A 75 -13.503 -5.339 13.826 1.00 0.00 C ATOM 1260 CG ARG A 75 -14.342 -4.274 14.538 1.00 0.00 C ATOM 1261 CD ARG A 75 -14.083 -2.884 13.930 1.00 0.00 C ATOM 1262 NE ARG A 75 -15.013 -1.884 14.556 1.00 0.00 N ATOM 1263 CZ ARG A 75 -15.032 -0.564 14.191 1.00 0.00 C ATOM 1264 NH1 ARG A 75 -14.173 -0.086 13.244 1.00 0.00 N ATOM 1265 NH2 ARG A 75 -15.923 0.284 14.783 1.00 0.00 N ATOM 0 H ARG A 75 -12.270 -6.525 12.066 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.813 -6.972 13.402 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.025 -5.947 14.595 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.708 -4.823 13.288 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.400 -4.522 14.455 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.100 -4.263 15.601 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.047 -2.589 14.098 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.235 -2.913 12.851 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.656 -2.201 15.282 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.505 -0.714 12.798 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.199 0.900 12.983 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.568 -0.067 15.491 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.944 1.269 14.517 1.00 0.00 H new ATOM 1279 N GLU A 76 -14.892 -5.514 10.634 1.00 0.00 N ATOM 1280 CA GLU A 76 -15.798 -4.957 9.642 1.00 0.00 C ATOM 1281 C GLU A 76 -16.891 -5.927 9.214 1.00 0.00 C ATOM 1282 O GLU A 76 -17.900 -5.520 8.640 1.00 0.00 O ATOM 1283 CB GLU A 76 -15.008 -4.590 8.367 1.00 0.00 C ATOM 1284 CG GLU A 76 -13.891 -3.561 8.575 1.00 0.00 C ATOM 1285 CD GLU A 76 -14.451 -2.209 9.001 1.00 0.00 C ATOM 1286 OE1 GLU A 76 -15.206 -1.597 8.198 1.00 0.00 O ATOM 1287 OE2 GLU A 76 -14.128 -1.765 10.136 1.00 0.00 O ATOM 0 H GLU A 76 -13.992 -5.797 10.245 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.260 -4.089 10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.572 -5.499 7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.705 -4.203 7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.197 -3.924 9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.323 -3.447 7.652 1.00 0.00 H new ATOM 1294 N GLY A 77 -16.653 -7.262 9.432 1.00 0.00 N ATOM 1295 CA GLY A 77 -17.568 -8.282 8.919 1.00 0.00 C ATOM 1296 C GLY A 77 -17.176 -8.719 7.534 1.00 0.00 C ATOM 1297 O GLY A 77 -17.968 -9.288 6.800 1.00 0.00 O ATOM 0 H GLY A 77 -15.852 -7.627 9.948 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.569 -9.143 9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -18.584 -7.888 8.905 1.00 0.00 H new ATOM 1301 N LEU A 78 -15.888 -8.487 7.162 1.00 0.00 N ATOM 1302 CA LEU A 78 -15.283 -8.909 5.899 1.00 0.00 C ATOM 1303 C LEU A 78 -14.461 -10.116 6.077 1.00 0.00 C ATOM 1304 O LEU A 78 -14.498 -11.007 5.257 1.00 0.00 O ATOM 1305 CB LEU A 78 -14.341 -7.921 5.189 1.00 0.00 C ATOM 1306 CG LEU A 78 -14.886 -6.504 5.172 1.00 0.00 C ATOM 1307 CD1 LEU A 78 -13.702 -5.548 5.295 1.00 0.00 C ATOM 1308 CD2 LEU A 78 -15.757 -6.370 3.908 1.00 0.00 C ATOM 0 H LEU A 78 -15.234 -7.984 7.762 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.174 -9.039 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.371 -7.927 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.175 -8.255 4.165 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.539 -6.252 6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.062 -4.519 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.175 -5.740 6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.022 -5.702 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.170 -5.363 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.147 -6.558 3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.571 -7.094 3.948 1.00 0.00 H new ATOM 1320 N CYS A 79 -13.680 -10.181 7.157 1.00 0.00 N ATOM 1321 CA CYS A 79 -12.797 -11.300 7.451 1.00 0.00 C ATOM 1322 C CYS A 79 -12.985 -12.001 8.793 1.00 0.00 C ATOM 1323 O CYS A 79 -13.500 -11.472 9.771 1.00 0.00 O ATOM 1324 CB CYS A 79 -11.320 -10.946 7.190 1.00 0.00 C ATOM 1325 SG CYS A 79 -11.037 -10.103 5.590 1.00 0.00 S ATOM 0 H CYS A 79 -13.646 -9.443 7.860 1.00 0.00 H new ATOM 0 HA CYS A 79 -13.118 -12.058 6.736 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -10.961 -10.306 7.996 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.726 -11.859 7.219 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.072 -10.696 4.952 1.00 0.00 H new ATOM 1331 N LYS A 80 -12.534 -13.271 8.829 1.00 0.00 N ATOM 1332 CA LYS A 80 -12.467 -14.217 9.918 1.00 0.00 C ATOM 1333 C LYS A 80 -10.980 -14.472 10.173 1.00 0.00 C ATOM 1334 O LYS A 80 -10.172 -14.458 9.251 1.00 0.00 O ATOM 1335 CB LYS A 80 -13.249 -15.497 9.485 1.00 0.00 C ATOM 1336 CG LYS A 80 -14.660 -15.573 10.075 1.00 0.00 C ATOM 1337 CD LYS A 80 -15.442 -16.815 9.626 1.00 0.00 C ATOM 1338 CE LYS A 80 -16.905 -16.802 10.091 1.00 0.00 C ATOM 1339 NZ LYS A 80 -17.608 -18.032 9.660 1.00 0.00 N ATOM 0 H LYS A 80 -12.165 -13.693 7.977 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.921 -13.862 10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.316 -15.523 8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.687 -16.379 9.791 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.592 -15.569 11.163 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.215 -14.680 9.787 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.413 -16.883 8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.951 -17.707 10.014 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.945 -16.717 11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.412 -15.927 9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.595 -18.000 9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.588 -18.098 8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.135 -18.863 10.069 1.00 0.00 H new ATOM 1353 N VAL A 81 -10.529 -14.643 11.436 1.00 0.00 N ATOM 1354 CA VAL A 81 -9.112 -14.705 11.750 1.00 0.00 C ATOM 1355 C VAL A 81 -8.813 -15.769 12.778 1.00 0.00 C ATOM 1356 O VAL A 81 -9.529 -15.942 13.766 1.00 0.00 O ATOM 1357 CB VAL A 81 -8.599 -13.356 12.270 1.00 0.00 C ATOM 1358 CG1 VAL A 81 -9.708 -12.471 12.865 1.00 0.00 C ATOM 1359 CG2 VAL A 81 -7.896 -12.586 11.146 1.00 0.00 C ATOM 0 H VAL A 81 -11.141 -14.739 12.247 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.600 -14.956 10.821 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.900 -13.588 13.073 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.277 -11.533 13.214 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.458 -12.264 12.101 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.176 -12.988 13.702 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.537 -11.631 11.529 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.052 -13.170 10.778 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.598 -12.410 10.331 1.00 0.00 H new ATOM 1369 N ASP A 82 -7.654 -16.455 12.570 1.00 0.00 N ATOM 1370 CA ASP A 82 -7.104 -17.445 13.498 1.00 0.00 C ATOM 1371 C ASP A 82 -5.587 -17.318 13.548 1.00 0.00 C ATOM 1372 O ASP A 82 -4.946 -16.937 12.567 1.00 0.00 O ATOM 1373 CB ASP A 82 -7.450 -18.916 13.103 1.00 0.00 C ATOM 1374 CG ASP A 82 -8.959 -19.168 13.187 1.00 0.00 C ATOM 1375 OD1 ASP A 82 -9.505 -19.112 14.321 1.00 0.00 O ATOM 1376 OD2 ASP A 82 -9.580 -19.421 12.120 1.00 0.00 O ATOM 0 H ASP A 82 -7.079 -16.323 11.738 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.557 -17.238 14.468 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.100 -19.116 12.090 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.925 -19.606 13.763 1.00 0.00 H new ATOM 1381 N GLU A 83 -4.946 -17.661 14.705 1.00 0.00 N ATOM 1382 CA GLU A 83 -3.498 -17.644 14.862 1.00 0.00 C ATOM 1383 C GLU A 83 -3.018 -19.039 15.248 1.00 0.00 C ATOM 1384 O GLU A 83 -3.630 -19.756 16.042 1.00 0.00 O ATOM 1385 CB GLU A 83 -2.997 -16.579 15.869 1.00 0.00 C ATOM 1386 CG GLU A 83 -1.457 -16.441 15.903 1.00 0.00 C ATOM 1387 CD GLU A 83 -1.005 -15.255 16.754 1.00 0.00 C ATOM 1388 OE1 GLU A 83 0.223 -14.970 16.744 1.00 0.00 O ATOM 1389 OE2 GLU A 83 -1.861 -14.622 17.427 1.00 0.00 O ATOM 0 H GLU A 83 -5.442 -17.955 15.546 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.069 -17.356 13.902 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.435 -15.614 15.614 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.353 -16.837 16.866 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.020 -17.358 16.298 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.082 -16.321 14.887 1.00 0.00 H new ATOM 1396 N THR A 84 -1.871 -19.417 14.629 1.00 0.00 N ATOM 1397 CA THR A 84 -1.145 -20.672 14.715 1.00 0.00 C ATOM 1398 C THR A 84 0.238 -20.414 15.232 1.00 0.00 C ATOM 1399 O THR A 84 0.637 -19.263 15.406 1.00 0.00 O ATOM 1400 CB THR A 84 -0.961 -21.328 13.310 1.00 0.00 C ATOM 1401 OG1 THR A 84 -0.094 -20.657 12.399 1.00 0.00 O ATOM 1402 CG2 THR A 84 -2.298 -21.425 12.568 1.00 0.00 C ATOM 0 H THR A 84 -1.398 -18.771 13.997 1.00 0.00 H new ATOM 0 HA THR A 84 -1.720 -21.328 15.369 1.00 0.00 H new ATOM 0 HB THR A 84 -0.517 -22.289 13.570 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.607 -20.356 11.620 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.140 -21.886 11.593 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.993 -22.032 13.148 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.713 -20.426 12.435 1.00 0.00 H new ATOM 1410 N PRO A 85 1.043 -21.477 15.442 1.00 0.00 N ATOM 1411 CA PRO A 85 2.461 -21.330 15.643 1.00 0.00 C ATOM 1412 C PRO A 85 3.324 -20.892 14.436 1.00 0.00 C ATOM 1413 O PRO A 85 4.531 -20.753 14.627 1.00 0.00 O ATOM 1414 CB PRO A 85 2.888 -22.698 16.193 1.00 0.00 C ATOM 1415 CG PRO A 85 1.613 -23.420 16.623 1.00 0.00 C ATOM 1416 CD PRO A 85 0.621 -22.873 15.620 1.00 0.00 C ATOM 0 HA PRO A 85 2.638 -20.486 16.310 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.419 -23.271 15.433 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.568 -22.580 17.036 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.711 -24.504 16.558 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.333 -23.186 17.650 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.655 -23.425 14.681 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.402 -22.938 15.991 1.00 0.00 H new ATOM 1424 N LYS A 86 2.763 -20.683 13.212 1.00 0.00 N ATOM 1425 CA LYS A 86 3.531 -20.310 12.034 1.00 0.00 C ATOM 1426 C LYS A 86 3.162 -18.926 11.482 1.00 0.00 C ATOM 1427 O LYS A 86 3.807 -18.413 10.569 1.00 0.00 O ATOM 1428 CB LYS A 86 3.323 -21.397 10.952 1.00 0.00 C ATOM 1429 CG LYS A 86 4.425 -21.439 9.881 1.00 0.00 C ATOM 1430 CD LYS A 86 4.342 -22.727 9.056 1.00 0.00 C ATOM 1431 CE LYS A 86 5.446 -22.847 7.992 1.00 0.00 C ATOM 1432 NZ LYS A 86 5.309 -21.794 6.958 1.00 0.00 N ATOM 0 H LYS A 86 1.763 -20.774 13.035 1.00 0.00 H new ATOM 0 HA LYS A 86 4.580 -20.244 12.323 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.267 -22.371 11.438 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.363 -21.228 10.463 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.330 -20.575 9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.403 -21.371 10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.401 -23.584 9.728 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.370 -22.773 8.566 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.424 -22.769 8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.398 -23.830 7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.025 -21.939 6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.360 -21.843 6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.447 -20.860 7.394 1.00 0.00 H new ATOM 1446 N GLY A 87 2.105 -18.264 12.030 1.00 0.00 N ATOM 1447 CA GLY A 87 1.675 -16.962 11.527 1.00 0.00 C ATOM 1448 C GLY A 87 0.247 -16.608 11.834 1.00 0.00 C ATOM 1449 O GLY A 87 -0.417 -17.210 12.678 1.00 0.00 O ATOM 0 H GLY A 87 1.552 -18.619 12.810 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.324 -16.193 11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.815 -16.941 10.446 1.00 0.00 H new ATOM 1453 N TRP A 88 -0.269 -15.600 11.076 1.00 0.00 N ATOM 1454 CA TRP A 88 -1.635 -15.066 11.120 1.00 0.00 C ATOM 1455 C TRP A 88 -2.331 -15.479 9.818 1.00 0.00 C ATOM 1456 O TRP A 88 -1.948 -15.114 8.705 1.00 0.00 O ATOM 1457 CB TRP A 88 -1.700 -13.505 11.333 1.00 0.00 C ATOM 1458 CG TRP A 88 -1.820 -13.058 12.796 1.00 0.00 C ATOM 1459 CD1 TRP A 88 -0.853 -12.899 13.747 1.00 0.00 C ATOM 1460 CD2 TRP A 88 -3.069 -12.787 13.460 1.00 0.00 C ATOM 1461 NE1 TRP A 88 -1.426 -12.562 14.964 1.00 0.00 N ATOM 1462 CE2 TRP A 88 -2.796 -12.560 14.807 1.00 0.00 C ATOM 1463 CE3 TRP A 88 -4.343 -12.720 12.990 1.00 0.00 C ATOM 1464 CZ2 TRP A 88 -3.813 -12.356 15.702 1.00 0.00 C ATOM 1465 CZ3 TRP A 88 -5.349 -12.487 13.896 1.00 0.00 C ATOM 1466 CH2 TRP A 88 -5.100 -12.330 15.234 1.00 0.00 C ATOM 0 H TRP A 88 0.302 -15.119 10.381 1.00 0.00 H new ATOM 0 HA TRP A 88 -2.144 -15.483 11.989 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.804 -13.057 10.903 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -2.551 -13.112 10.777 1.00 0.00 H new ATOM 0 HD1 TRP A 88 0.207 -13.019 13.576 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -0.922 -12.352 15.825 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.557 -12.846 11.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.605 -12.219 16.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.368 -12.426 13.543 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -5.920 -12.185 15.921 1.00 0.00 H new ATOM 1477 N TYR A 89 -3.407 -16.289 9.964 1.00 0.00 N ATOM 1478 CA TYR A 89 -4.201 -16.871 8.902 1.00 0.00 C ATOM 1479 C TYR A 89 -5.559 -16.219 8.978 1.00 0.00 C ATOM 1480 O TYR A 89 -6.216 -16.229 10.018 1.00 0.00 O ATOM 1481 CB TYR A 89 -4.340 -18.416 9.070 1.00 0.00 C ATOM 1482 CG TYR A 89 -2.989 -19.048 8.866 1.00 0.00 C ATOM 1483 CD1 TYR A 89 -2.029 -18.979 9.857 1.00 0.00 C ATOM 1484 CD2 TYR A 89 -2.651 -19.623 7.653 1.00 0.00 C ATOM 1485 CE1 TYR A 89 -0.732 -19.361 9.608 1.00 0.00 C ATOM 1486 CE2 TYR A 89 -1.365 -20.082 7.423 1.00 0.00 C ATOM 1487 CZ TYR A 89 -0.397 -19.926 8.398 1.00 0.00 C ATOM 1488 OH TYR A 89 0.937 -20.317 8.176 1.00 0.00 O ATOM 0 H TYR A 89 -3.748 -16.557 10.887 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.723 -16.702 7.937 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.723 -18.655 10.062 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.055 -18.812 8.349 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.301 -18.621 10.839 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.398 -19.715 6.878 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.026 -19.217 10.364 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.119 -20.560 6.486 1.00 0.00 H new ATOM 0 HH TYR A 89 1.020 -20.700 7.278 1.00 0.00 H new ATOM 1498 N ILE A 90 -6.022 -15.640 7.863 1.00 0.00 N ATOM 1499 CA ILE A 90 -7.305 -15.000 7.658 1.00 0.00 C ATOM 1500 C ILE A 90 -8.071 -15.833 6.644 1.00 0.00 C ATOM 1501 O ILE A 90 -7.550 -16.344 5.650 1.00 0.00 O ATOM 1502 CB ILE A 90 -7.267 -13.493 7.289 1.00 0.00 C ATOM 1503 CG1 ILE A 90 -7.408 -13.111 5.783 1.00 0.00 C ATOM 1504 CG2 ILE A 90 -6.018 -12.854 7.925 1.00 0.00 C ATOM 1505 CD1 ILE A 90 -7.354 -11.598 5.507 1.00 0.00 C ATOM 0 H ILE A 90 -5.453 -15.611 7.017 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.817 -14.976 8.620 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.187 -13.082 7.705 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.613 -13.600 5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.353 -13.504 5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.982 -11.795 7.671 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.063 -12.967 9.008 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.123 -13.348 7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.459 -11.419 4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.166 -11.102 6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.399 -11.200 5.849 1.00 0.00 H new ATOM 1517 N GLN A 91 -9.383 -15.933 6.901 1.00 0.00 N ATOM 1518 CA GLN A 91 -10.431 -16.530 6.116 1.00 0.00 C ATOM 1519 C GLN A 91 -11.386 -15.368 5.963 1.00 0.00 C ATOM 1520 O GLN A 91 -11.511 -14.538 6.840 1.00 0.00 O ATOM 1521 CB GLN A 91 -10.974 -17.836 6.772 1.00 0.00 C ATOM 1522 CG GLN A 91 -12.504 -18.007 6.786 1.00 0.00 C ATOM 1523 CD GLN A 91 -12.939 -19.258 7.552 1.00 0.00 C ATOM 1524 OE1 GLN A 91 -13.450 -19.176 8.669 1.00 0.00 O ATOM 1525 NE2 GLN A 91 -12.706 -20.440 6.939 1.00 0.00 N ATOM 0 H GLN A 91 -9.760 -15.548 7.767 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.147 -16.921 5.139 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.539 -18.688 6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.616 -17.877 7.801 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.962 -17.128 7.239 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.871 -18.065 5.761 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.280 -20.459 6.012 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.956 -21.313 7.403 1.00 0.00 H new ATOM 1534 N TYR A 92 -12.074 -15.220 4.839 1.00 0.00 N ATOM 1535 CA TYR A 92 -13.021 -14.161 4.553 1.00 0.00 C ATOM 1536 C TYR A 92 -14.446 -14.632 4.836 1.00 0.00 C ATOM 1537 O TYR A 92 -14.737 -15.825 4.842 1.00 0.00 O ATOM 1538 CB TYR A 92 -12.527 -13.254 3.375 1.00 0.00 C ATOM 1539 CG TYR A 92 -13.543 -12.550 2.503 1.00 0.00 C ATOM 1540 CD1 TYR A 92 -13.749 -11.196 2.618 1.00 0.00 C ATOM 1541 CD2 TYR A 92 -14.330 -13.228 1.608 1.00 0.00 C ATOM 1542 CE1 TYR A 92 -14.836 -10.585 2.042 1.00 0.00 C ATOM 1543 CE2 TYR A 92 -15.402 -12.640 0.972 1.00 0.00 C ATOM 1544 CZ TYR A 92 -15.647 -11.300 1.182 1.00 0.00 C ATOM 1545 OH TYR A 92 -16.705 -10.681 0.496 1.00 0.00 O ATOM 0 H TYR A 92 -11.978 -15.874 4.062 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.087 -13.312 5.234 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -11.876 -12.490 3.801 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -11.909 -13.872 2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -13.041 -10.599 3.173 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -14.101 -14.261 1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.056 -9.550 2.260 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -16.039 -13.219 0.320 1.00 0.00 H new ATOM 0 HH TYR A 92 -16.934 -11.209 -0.297 1.00 0.00 H new ATOM 1555 N ILE A 93 -15.332 -13.686 5.217 1.00 0.00 N ATOM 1556 CA ILE A 93 -16.736 -13.751 5.575 1.00 0.00 C ATOM 1557 C ILE A 93 -17.423 -13.654 4.231 1.00 0.00 C ATOM 1558 O ILE A 93 -17.191 -12.682 3.517 1.00 0.00 O ATOM 1559 CB ILE A 93 -17.109 -12.452 6.332 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -16.341 -12.259 7.661 1.00 0.00 C ATOM 1561 CG2 ILE A 93 -18.637 -12.256 6.468 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -16.986 -12.669 8.959 1.00 0.00 C ATOM 0 H ILE A 93 -15.011 -12.720 5.285 1.00 0.00 H new ATOM 0 HA ILE A 93 -16.988 -14.627 6.173 1.00 0.00 H new ATOM 0 HB ILE A 93 -16.761 -11.638 5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.401 -12.805 7.577 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -16.089 -11.202 7.742 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -18.839 -11.330 7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -19.087 -12.204 5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -19.064 -13.095 7.017 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -16.305 -12.462 9.785 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -17.909 -12.107 9.100 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -17.211 -13.735 8.933 1.00 0.00 H new ATOM 1574 N ASP A 94 -18.267 -14.625 3.771 1.00 0.00 N ATOM 1575 CA ASP A 94 -18.867 -14.526 2.432 1.00 0.00 C ATOM 1576 C ASP A 94 -20.045 -13.580 2.346 1.00 0.00 C ATOM 1577 O ASP A 94 -21.202 -13.989 2.345 1.00 0.00 O ATOM 1578 CB ASP A 94 -19.168 -15.845 1.647 1.00 0.00 C ATOM 1579 CG ASP A 94 -20.213 -16.780 2.270 1.00 0.00 C ATOM 1580 OD1 ASP A 94 -21.224 -17.081 1.583 1.00 0.00 O ATOM 1581 OD2 ASP A 94 -20.003 -17.212 3.435 1.00 0.00 O ATOM 0 H ASP A 94 -18.533 -15.456 4.300 1.00 0.00 H new ATOM 0 HA ASP A 94 -18.018 -14.095 1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -19.501 -15.578 0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -18.235 -16.398 1.536 1.00 0.00 H new ATOM 1586 N ARG A 95 -19.702 -12.266 2.216 1.00 0.00 N ATOM 1587 CA ARG A 95 -20.509 -11.060 2.056 1.00 0.00 C ATOM 1588 C ARG A 95 -21.756 -11.196 1.183 1.00 0.00 C ATOM 1589 O ARG A 95 -22.788 -11.674 1.642 1.00 0.00 O ATOM 1590 CB ARG A 95 -19.577 -9.925 1.646 1.00 0.00 C ATOM 1591 CG ARG A 95 -18.551 -9.594 2.756 1.00 0.00 C ATOM 1592 CD ARG A 95 -18.964 -8.422 3.650 1.00 0.00 C ATOM 1593 NE ARG A 95 -20.205 -8.748 4.434 1.00 0.00 N ATOM 1594 CZ ARG A 95 -20.735 -7.906 5.375 1.00 0.00 C ATOM 1595 NH1 ARG A 95 -20.135 -6.718 5.671 1.00 0.00 N ATOM 1596 NH2 ARG A 95 -21.878 -8.269 6.029 1.00 0.00 N ATOM 0 H ARG A 95 -18.713 -12.016 2.225 1.00 0.00 H new ATOM 0 HA ARG A 95 -20.968 -10.835 3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -19.049 -10.200 0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -20.165 -9.036 1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -18.404 -10.478 3.377 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.591 -9.365 2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -18.151 -8.179 4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -19.139 -7.538 3.037 1.00 0.00 H new ATOM 0 HE ARG A 95 -20.673 -9.637 4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -19.279 -6.445 5.189 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -20.543 -6.102 6.375 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -22.328 -9.159 5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -22.282 -7.650 6.732 1.00 0.00 H new ATOM 1610 N ASP A 96 -21.691 -10.839 -0.112 1.00 0.00 N ATOM 1611 CA ASP A 96 -22.697 -11.255 -1.086 1.00 0.00 C ATOM 1612 C ASP A 96 -22.105 -12.398 -1.916 1.00 0.00 C ATOM 1613 O ASP A 96 -21.158 -12.124 -2.646 1.00 0.00 O ATOM 1614 CB ASP A 96 -23.267 -10.081 -1.910 1.00 0.00 C ATOM 1615 CG ASP A 96 -24.303 -10.438 -2.990 1.00 0.00 C ATOM 1616 OD1 ASP A 96 -25.277 -11.169 -2.668 1.00 0.00 O ATOM 1617 OD2 ASP A 96 -24.129 -9.967 -4.145 1.00 0.00 O ATOM 0 H ASP A 96 -20.947 -10.261 -0.502 1.00 0.00 H new ATOM 0 HA ASP A 96 -23.582 -11.630 -0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -23.724 -9.371 -1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -22.435 -9.567 -2.392 1.00 0.00 H new ATOM 1622 N PRO A 97 -22.582 -13.665 -1.921 1.00 0.00 N ATOM 1623 CA PRO A 97 -22.048 -14.806 -2.697 1.00 0.00 C ATOM 1624 C PRO A 97 -22.093 -14.614 -4.211 1.00 0.00 C ATOM 1625 O PRO A 97 -21.212 -15.087 -4.921 1.00 0.00 O ATOM 1626 CB PRO A 97 -22.906 -15.995 -2.269 1.00 0.00 C ATOM 1627 CG PRO A 97 -23.364 -15.595 -0.869 1.00 0.00 C ATOM 1628 CD PRO A 97 -23.595 -14.090 -0.980 1.00 0.00 C ATOM 0 HA PRO A 97 -20.986 -14.938 -2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -23.750 -16.148 -2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -22.334 -16.923 -2.258 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -24.275 -16.120 -0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.609 -15.830 -0.118 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -24.599 -13.863 -1.340 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -23.482 -13.594 -0.016 1.00 0.00 H new ATOM 1636 N GLU A 98 -23.076 -13.808 -4.689 1.00 0.00 N ATOM 1637 CA GLU A 98 -23.230 -13.313 -6.040 1.00 0.00 C ATOM 1638 C GLU A 98 -22.173 -12.265 -6.372 1.00 0.00 C ATOM 1639 O GLU A 98 -21.857 -12.061 -7.527 1.00 0.00 O ATOM 1640 CB GLU A 98 -24.649 -12.773 -6.286 1.00 0.00 C ATOM 1641 CG GLU A 98 -25.731 -13.856 -6.130 1.00 0.00 C ATOM 1642 CD GLU A 98 -27.101 -13.258 -6.440 1.00 0.00 C ATOM 1643 OE1 GLU A 98 -27.738 -13.711 -7.429 1.00 0.00 O ATOM 1644 OE2 GLU A 98 -27.531 -12.342 -5.689 1.00 0.00 O ATOM 0 H GLU A 98 -23.824 -13.476 -4.080 1.00 0.00 H new ATOM 0 HA GLU A 98 -23.081 -14.157 -6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -24.850 -11.961 -5.588 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -24.704 -12.352 -7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -25.526 -14.689 -6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -25.718 -14.254 -5.116 1.00 0.00 H new ATOM 1651 N THR A 99 -21.516 -11.604 -5.367 1.00 0.00 N ATOM 1652 CA THR A 99 -20.315 -10.781 -5.600 1.00 0.00 C ATOM 1653 C THR A 99 -19.108 -11.698 -5.784 1.00 0.00 C ATOM 1654 O THR A 99 -18.369 -11.563 -6.737 1.00 0.00 O ATOM 1655 CB THR A 99 -20.077 -9.631 -4.585 1.00 0.00 C ATOM 1656 OG1 THR A 99 -19.626 -8.449 -5.240 1.00 0.00 O ATOM 1657 CG2 THR A 99 -19.048 -9.900 -3.471 1.00 0.00 C ATOM 0 H THR A 99 -21.811 -11.635 -4.391 1.00 0.00 H new ATOM 0 HA THR A 99 -20.487 -10.224 -6.521 1.00 0.00 H new ATOM 0 HB THR A 99 -21.059 -9.530 -4.124 1.00 0.00 H new ATOM 0 HG1 THR A 99 -18.665 -8.519 -5.416 1.00 0.00 H new ATOM 0 HG21 THR A 99 -18.971 -9.024 -2.828 1.00 0.00 H new ATOM 0 HG22 THR A 99 -19.368 -10.758 -2.879 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.076 -10.109 -3.917 1.00 0.00 H new ATOM 1665 N ILE A 100 -18.931 -12.709 -4.890 1.00 0.00 N ATOM 1666 CA ILE A 100 -17.850 -13.707 -4.807 1.00 0.00 C ATOM 1667 C ILE A 100 -17.825 -14.648 -6.010 1.00 0.00 C ATOM 1668 O ILE A 100 -16.808 -14.720 -6.681 1.00 0.00 O ATOM 1669 CB ILE A 100 -18.016 -14.410 -3.467 1.00 0.00 C ATOM 1670 CG1 ILE A 100 -17.806 -13.347 -2.357 1.00 0.00 C ATOM 1671 CG2 ILE A 100 -16.954 -15.521 -3.308 1.00 0.00 C ATOM 1672 CD1 ILE A 100 -18.368 -13.754 -1.005 1.00 0.00 C ATOM 0 H ILE A 100 -19.610 -12.851 -4.143 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.870 -13.232 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 100 -19.005 -14.864 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -16.739 -13.150 -2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.273 -12.413 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -17.085 -16.015 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.069 -16.251 -4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.958 -15.082 -3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -18.183 -12.961 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -19.441 -13.922 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -17.883 -14.671 -0.671 1.00 0.00 H new ATOM 1684 N ARG A 101 -18.945 -15.293 -6.433 1.00 0.00 N ATOM 1685 CA ARG A 101 -19.007 -16.141 -7.636 1.00 0.00 C ATOM 1686 C ARG A 101 -18.913 -15.348 -8.952 1.00 0.00 C ATOM 1687 O ARG A 101 -18.437 -15.852 -9.966 1.00 0.00 O ATOM 1688 CB ARG A 101 -20.301 -17.002 -7.644 1.00 0.00 C ATOM 1689 CG ARG A 101 -20.455 -17.963 -6.442 1.00 0.00 C ATOM 1690 CD ARG A 101 -21.704 -18.852 -6.554 1.00 0.00 C ATOM 1691 NE ARG A 101 -21.560 -19.757 -7.756 1.00 0.00 N ATOM 1692 CZ ARG A 101 -22.563 -20.022 -8.652 1.00 0.00 C ATOM 1693 NH1 ARG A 101 -23.805 -19.483 -8.504 1.00 0.00 N ATOM 1694 NH2 ARG A 101 -22.305 -20.838 -9.717 1.00 0.00 N ATOM 0 H ARG A 101 -19.835 -15.233 -5.938 1.00 0.00 H new ATOM 0 HA ARG A 101 -18.130 -16.786 -7.584 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -21.163 -16.335 -7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -20.324 -17.588 -8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -19.569 -18.594 -6.370 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -20.508 -17.382 -5.521 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -21.825 -19.446 -5.648 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -22.597 -18.235 -6.652 1.00 0.00 H new ATOM 0 HE ARG A 101 -20.655 -20.201 -7.911 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -24.004 -18.869 -7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -24.537 -19.694 -9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -21.376 -21.241 -9.837 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -23.042 -21.044 -10.392 1.00 0.00 H new ATOM 1708 N ARG A 102 -19.289 -14.030 -8.940 1.00 0.00 N ATOM 1709 CA ARG A 102 -19.152 -13.094 -10.070 1.00 0.00 C ATOM 1710 C ARG A 102 -17.720 -12.590 -10.145 1.00 0.00 C ATOM 1711 O ARG A 102 -17.176 -12.441 -11.239 1.00 0.00 O ATOM 1712 CB ARG A 102 -20.124 -11.886 -10.024 1.00 0.00 C ATOM 1713 CG ARG A 102 -21.582 -12.161 -10.472 1.00 0.00 C ATOM 1714 CD ARG A 102 -22.109 -13.596 -10.272 1.00 0.00 C ATOM 1715 NE ARG A 102 -23.593 -13.625 -10.507 1.00 0.00 N ATOM 1716 CZ ARG A 102 -24.397 -14.637 -10.053 1.00 0.00 C ATOM 1717 NH1 ARG A 102 -23.876 -15.700 -9.374 1.00 0.00 N ATOM 1718 NH2 ARG A 102 -25.744 -14.576 -10.276 1.00 0.00 N ATOM 0 H ARG A 102 -19.704 -13.594 -8.117 1.00 0.00 H new ATOM 0 HA ARG A 102 -19.418 -13.661 -10.962 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -20.146 -11.503 -9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -19.716 -11.095 -10.653 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -22.238 -11.479 -9.931 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -21.666 -11.912 -11.530 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -21.608 -14.277 -10.960 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -21.884 -13.940 -9.262 1.00 0.00 H new ATOM 0 HE ARG A 102 -24.020 -12.858 -11.027 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -22.873 -15.750 -9.197 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -24.490 -16.444 -9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -26.143 -13.782 -10.777 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -26.351 -15.325 -9.942 1.00 0.00 H new ATOM 1732 N GLN A 103 -17.071 -12.416 -8.956 1.00 0.00 N ATOM 1733 CA GLN A 103 -15.652 -12.135 -8.753 1.00 0.00 C ATOM 1734 C GLN A 103 -14.745 -13.229 -9.302 1.00 0.00 C ATOM 1735 O GLN A 103 -13.818 -12.944 -10.056 1.00 0.00 O ATOM 1736 CB GLN A 103 -15.415 -11.483 -7.356 1.00 0.00 C ATOM 1737 CG GLN A 103 -15.954 -10.017 -7.418 1.00 0.00 C ATOM 1738 CD GLN A 103 -16.004 -9.170 -6.134 1.00 0.00 C ATOM 1739 OE1 GLN A 103 -17.046 -8.746 -5.616 1.00 0.00 O ATOM 1740 NE2 GLN A 103 -14.793 -8.806 -5.650 1.00 0.00 N ATOM 0 H GLN A 103 -17.573 -12.476 -8.070 1.00 0.00 H new ATOM 0 HA GLN A 103 -15.288 -11.335 -9.397 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -15.930 -12.047 -6.578 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.354 -11.490 -7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.345 -9.476 -8.142 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -16.966 -10.058 -7.821 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.942 -9.162 -6.085 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -14.732 -8.176 -4.850 1.00 0.00 H new ATOM 1749 N LEU A 104 -15.017 -14.516 -9.011 1.00 0.00 N ATOM 1750 CA LEU A 104 -14.232 -15.614 -9.525 1.00 0.00 C ATOM 1751 C LEU A 104 -14.549 -16.070 -10.946 1.00 0.00 C ATOM 1752 O LEU A 104 -13.643 -16.384 -11.707 1.00 0.00 O ATOM 1753 CB LEU A 104 -14.168 -16.855 -8.600 1.00 0.00 C ATOM 1754 CG LEU A 104 -14.895 -16.938 -7.256 1.00 0.00 C ATOM 1755 CD1 LEU A 104 -14.857 -18.378 -6.702 1.00 0.00 C ATOM 1756 CD2 LEU A 104 -14.273 -16.002 -6.237 1.00 0.00 C ATOM 0 H LEU A 104 -15.790 -14.805 -8.412 1.00 0.00 H new ATOM 0 HA LEU A 104 -13.249 -15.144 -9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.519 -17.700 -9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -13.113 -17.029 -8.391 1.00 0.00 H new ATOM 0 HG LEU A 104 -15.929 -16.640 -7.429 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -15.380 -18.414 -5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -15.343 -19.052 -7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.821 -18.686 -6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.811 -16.083 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -13.228 -16.273 -6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.332 -14.976 -6.601 1.00 0.00 H new ATOM 1768 N GLU A 105 -15.845 -16.216 -11.322 1.00 0.00 N ATOM 1769 CA GLU A 105 -16.276 -16.724 -12.627 1.00 0.00 C ATOM 1770 C GLU A 105 -16.340 -15.725 -13.789 1.00 0.00 C ATOM 1771 O GLU A 105 -15.737 -15.940 -14.836 1.00 0.00 O ATOM 1772 CB GLU A 105 -17.612 -17.510 -12.514 1.00 0.00 C ATOM 1773 CG GLU A 105 -17.571 -18.603 -11.425 1.00 0.00 C ATOM 1774 CD GLU A 105 -18.903 -19.349 -11.390 1.00 0.00 C ATOM 1775 OE1 GLU A 105 -18.904 -20.582 -11.649 1.00 0.00 O ATOM 1776 OE2 GLU A 105 -19.940 -18.694 -11.098 1.00 0.00 O ATOM 0 H GLU A 105 -16.624 -15.977 -10.709 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.457 -17.388 -12.904 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -18.421 -16.813 -12.293 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -17.841 -17.970 -13.476 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -16.758 -19.301 -11.627 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -17.370 -18.153 -10.453 1.00 0.00 H new