USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=25 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 86 LYS NZ :NH3+ 156:sc= 0.113 (180deg=-0.0102) USER MOD Set 1.2: A 89 TYR OH : rot 156:sc= 1.38 USER MOD Set 2.1: A 47 ASN : amide:sc= 1.11 K(o=-3.7,f=-4.5) USER MOD Set 2.2: A 55 HIS : no HE2:sc= -3.01! X(o=-3.7!,f=-4.1) USER MOD Set 2.3: A 57 HIS : no HE2:sc= -1.79 K(o=-3.7,f=-5.5) USER MOD Set 3.1: A 41 HIS : no HE2:sc= -1.86 X(o=-3.2,f=-3!) USER MOD Set 3.2: A 43 ASN : amide:sc= -1.35 X(o=-3.2,f=-3) USER MOD Set 4.1: A 16 MET CE :methyl 143:sc= -1.65 (180deg=-5.64!) USER MOD Set 4.2: A 20 SER OG : rot -54:sc= 1.38 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 37 THR OG1 : rot 170:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -2.45 K(o=-2.4,f=-9.8!) USER MOD Single : A 46 TYR OH : rot -92:sc= 0.429 USER MOD Single : A 49 TYR OH : rot -113:sc= 0.48 USER MOD Single : A 51 SER OG : rot 109:sc= 1.2 USER MOD Single : A 52 HIS : no HD1:sc=-0.00831 X(o=-0.0083,f=0) USER MOD Single : A 58 MET CE :methyl 157:sc= -2.79 (180deg=-6.09!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.192 F(o=-2!,f=-0.19) USER MOD Single : A 61 THR OG1 : rot -75:sc= 1.41 USER MOD Single : A 62 GLN : amide:sc= -0.591 K(o=-0.59,f=-1.6) USER MOD Single : A 65 THR OG1 : rot -45:sc= 0.69 USER MOD Single : A 67 THR OG1 : rot -75:sc= 0.771 USER MOD Single : A 70 THR OG1 : rot 151:sc= 0.251 USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0884) USER MOD Single : A 79 CYS SG : rot -13:sc= -5.57! USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= -0.0134 (180deg=-0.189) USER MOD Single : A 84 THR OG1 : rot -115:sc= 1.4 USER MOD Single : A 91 GLN :FLIP amide:sc= -0.326 F(o=-1.2,f=-0.33) USER MOD Single : A 92 TYR OH : rot -26:sc= -0.568 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 241 N MET A 16 -4.654 6.617 6.782 1.00 0.00 N ATOM 242 CA MET A 16 -5.539 5.430 6.846 1.00 0.00 C ATOM 243 C MET A 16 -6.728 5.546 5.913 1.00 0.00 C ATOM 244 O MET A 16 -7.091 4.588 5.246 1.00 0.00 O ATOM 245 CB MET A 16 -6.066 5.100 8.279 1.00 0.00 C ATOM 246 CG MET A 16 -7.155 3.977 8.436 1.00 0.00 C ATOM 247 SD MET A 16 -6.625 2.260 8.069 1.00 0.00 S ATOM 248 CE MET A 16 -8.225 1.352 8.176 1.00 0.00 C ATOM 0 HA MET A 16 -4.894 4.611 6.528 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.209 4.819 8.891 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.473 6.018 8.703 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.529 4.006 9.459 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.993 4.222 7.783 1.00 0.00 H new ATOM 0 HE1 MET A 16 -8.251 0.570 7.417 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.323 0.902 9.164 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.049 2.046 8.010 1.00 0.00 H new ATOM 258 N ASP A 17 -7.331 6.755 5.739 1.00 0.00 N ATOM 259 CA ASP A 17 -8.395 7.042 4.762 1.00 0.00 C ATOM 260 C ASP A 17 -7.984 6.817 3.289 1.00 0.00 C ATOM 261 O ASP A 17 -8.677 6.153 2.529 1.00 0.00 O ATOM 262 CB ASP A 17 -9.027 8.459 4.974 1.00 0.00 C ATOM 263 CG ASP A 17 -8.027 9.625 4.874 1.00 0.00 C ATOM 264 OD1 ASP A 17 -8.146 10.419 3.901 1.00 0.00 O ATOM 265 OD2 ASP A 17 -7.143 9.739 5.764 1.00 0.00 O ATOM 0 H ASP A 17 -7.076 7.572 6.294 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.166 6.298 4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.813 8.607 4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.503 8.488 5.954 1.00 0.00 H new ATOM 270 N TYR A 18 -6.782 7.330 2.901 1.00 0.00 N ATOM 271 CA TYR A 18 -6.132 7.154 1.601 1.00 0.00 C ATOM 272 C TYR A 18 -5.594 5.744 1.327 1.00 0.00 C ATOM 273 O TYR A 18 -5.918 5.123 0.311 1.00 0.00 O ATOM 274 CB TYR A 18 -4.996 8.221 1.491 1.00 0.00 C ATOM 275 CG TYR A 18 -4.307 8.317 0.142 1.00 0.00 C ATOM 276 CD1 TYR A 18 -2.950 8.058 0.037 1.00 0.00 C ATOM 277 CD2 TYR A 18 -5.004 8.666 -1.002 1.00 0.00 C ATOM 278 CE1 TYR A 18 -2.308 8.140 -1.181 1.00 0.00 C ATOM 279 CE2 TYR A 18 -4.361 8.748 -2.227 1.00 0.00 C ATOM 280 CZ TYR A 18 -3.010 8.485 -2.316 1.00 0.00 C ATOM 281 OH TYR A 18 -2.331 8.572 -3.555 1.00 0.00 O ATOM 0 H TYR A 18 -6.224 7.905 3.531 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.893 7.293 0.834 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.416 9.197 1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.243 8.001 2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.388 7.789 0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.061 8.877 -0.939 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.250 7.933 -1.246 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.918 9.018 -3.112 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.965 8.825 -4.258 1.00 0.00 H new ATOM 291 N PHE A 19 -4.766 5.190 2.258 1.00 0.00 N ATOM 292 CA PHE A 19 -4.130 3.879 2.155 1.00 0.00 C ATOM 293 C PHE A 19 -5.085 2.713 2.373 1.00 0.00 C ATOM 294 O PHE A 19 -4.976 1.690 1.702 1.00 0.00 O ATOM 295 CB PHE A 19 -2.805 3.804 2.964 1.00 0.00 C ATOM 296 CG PHE A 19 -1.700 4.690 2.391 1.00 0.00 C ATOM 297 CD1 PHE A 19 -0.799 5.281 3.264 1.00 0.00 C ATOM 298 CD2 PHE A 19 -1.488 4.890 1.028 1.00 0.00 C ATOM 299 CE1 PHE A 19 0.285 6.011 2.810 1.00 0.00 C ATOM 300 CE2 PHE A 19 -0.403 5.615 0.568 1.00 0.00 C ATOM 301 CZ PHE A 19 0.488 6.178 1.457 1.00 0.00 C ATOM 0 H PHE A 19 -4.526 5.674 3.123 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.832 3.760 1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.999 4.098 3.996 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.458 2.771 2.987 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.948 5.168 4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.184 4.471 0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.973 6.451 3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.253 5.741 -0.494 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.335 6.743 1.097 1.00 0.00 H new ATOM 311 N SER A 20 -6.134 2.878 3.240 1.00 0.00 N ATOM 312 CA SER A 20 -7.249 1.916 3.375 1.00 0.00 C ATOM 313 C SER A 20 -8.215 1.940 2.204 1.00 0.00 C ATOM 314 O SER A 20 -8.789 0.914 1.876 1.00 0.00 O ATOM 315 CB SER A 20 -7.937 1.719 4.746 1.00 0.00 C ATOM 316 OG SER A 20 -8.844 2.766 5.063 1.00 0.00 O ATOM 0 H SER A 20 -6.218 3.685 3.858 1.00 0.00 H new ATOM 0 HA SER A 20 -6.684 0.985 3.334 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.472 0.769 4.746 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.176 1.656 5.524 1.00 0.00 H new ATOM 0 HG SER A 20 -8.384 3.629 4.994 1.00 0.00 H new ATOM 322 N GLU A 21 -8.411 3.097 1.500 1.00 0.00 N ATOM 323 CA GLU A 21 -9.170 3.169 0.241 1.00 0.00 C ATOM 324 C GLU A 21 -8.432 2.478 -0.918 1.00 0.00 C ATOM 325 O GLU A 21 -9.033 1.813 -1.752 1.00 0.00 O ATOM 326 CB GLU A 21 -9.519 4.631 -0.127 1.00 0.00 C ATOM 327 CG GLU A 21 -10.426 4.845 -1.360 1.00 0.00 C ATOM 328 CD GLU A 21 -11.753 4.103 -1.191 1.00 0.00 C ATOM 329 OE1 GLU A 21 -12.499 4.433 -0.228 1.00 0.00 O ATOM 330 OE2 GLU A 21 -12.039 3.198 -2.020 1.00 0.00 O ATOM 0 H GLU A 21 -8.041 3.998 1.802 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.102 2.628 0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.003 5.091 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.587 5.170 -0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.614 5.910 -1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.918 4.492 -2.257 1.00 0.00 H new ATOM 337 N GLU A 22 -7.073 2.571 -0.960 1.00 0.00 N ATOM 338 CA GLU A 22 -6.213 1.841 -1.891 1.00 0.00 C ATOM 339 C GLU A 22 -6.043 0.353 -1.546 1.00 0.00 C ATOM 340 O GLU A 22 -6.229 -0.510 -2.397 1.00 0.00 O ATOM 341 CB GLU A 22 -4.832 2.548 -2.021 1.00 0.00 C ATOM 342 CG GLU A 22 -3.983 2.149 -3.248 1.00 0.00 C ATOM 343 CD GLU A 22 -4.682 2.564 -4.542 1.00 0.00 C ATOM 344 OE1 GLU A 22 -4.931 1.674 -5.397 1.00 0.00 O ATOM 345 OE2 GLU A 22 -4.964 3.782 -4.700 1.00 0.00 O ATOM 0 H GLU A 22 -6.549 3.174 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.721 1.860 -2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.998 3.625 -2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.254 2.342 -1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.003 2.623 -3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.816 1.072 -3.247 1.00 0.00 H new ATOM 352 N PHE A 23 -5.714 0.007 -0.266 1.00 0.00 N ATOM 353 CA PHE A 23 -5.568 -1.363 0.216 1.00 0.00 C ATOM 354 C PHE A 23 -6.887 -2.120 0.388 1.00 0.00 C ATOM 355 O PHE A 23 -7.026 -3.178 -0.199 1.00 0.00 O ATOM 356 CB PHE A 23 -4.831 -1.344 1.593 1.00 0.00 C ATOM 357 CG PHE A 23 -4.491 -2.685 2.209 1.00 0.00 C ATOM 358 CD1 PHE A 23 -3.827 -3.645 1.467 1.00 0.00 C ATOM 359 CD2 PHE A 23 -4.816 -2.967 3.531 1.00 0.00 C ATOM 360 CE1 PHE A 23 -3.488 -4.849 2.041 1.00 0.00 C ATOM 361 CE2 PHE A 23 -4.343 -4.108 4.137 1.00 0.00 C ATOM 362 CZ PHE A 23 -3.735 -5.080 3.377 1.00 0.00 C ATOM 0 H PHE A 23 -5.543 0.703 0.460 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.001 -1.890 -0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.905 -0.781 1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.450 -0.793 2.301 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.574 -3.449 0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.444 -2.286 4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.025 -5.618 1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.449 -4.240 5.204 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.452 -6.021 3.826 1.00 0.00 H new ATOM 372 N ARG A 24 -7.922 -1.618 1.127 1.00 0.00 N ATOM 373 CA ARG A 24 -9.193 -2.324 1.338 1.00 0.00 C ATOM 374 C ARG A 24 -10.075 -2.514 0.099 1.00 0.00 C ATOM 375 O ARG A 24 -10.690 -3.563 -0.047 1.00 0.00 O ATOM 376 CB ARG A 24 -9.933 -1.899 2.651 1.00 0.00 C ATOM 377 CG ARG A 24 -10.939 -2.957 3.194 1.00 0.00 C ATOM 378 CD ARG A 24 -10.415 -3.929 4.273 1.00 0.00 C ATOM 379 NE ARG A 24 -8.928 -4.144 4.140 1.00 0.00 N ATOM 380 CZ ARG A 24 -8.377 -5.173 3.424 1.00 0.00 C ATOM 381 NH1 ARG A 24 -9.151 -6.171 2.922 1.00 0.00 N ATOM 382 NH2 ARG A 24 -7.039 -5.190 3.189 1.00 0.00 N ATOM 0 H ARG A 24 -7.883 -0.709 1.588 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.893 -3.355 1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.190 -1.693 3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.468 -0.968 2.467 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.800 -2.428 3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.298 -3.547 2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.640 -3.533 5.263 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.932 -4.885 4.187 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.301 -3.489 4.607 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.159 -6.161 3.076 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.724 -6.930 2.391 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.449 -4.438 3.545 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.624 -5.955 2.656 1.00 0.00 H new ATOM 396 N ASN A 25 -10.096 -1.590 -0.908 1.00 0.00 N ATOM 397 CA ASN A 25 -10.771 -1.791 -2.181 1.00 0.00 C ATOM 398 C ASN A 25 -10.118 -2.839 -3.107 1.00 0.00 C ATOM 399 O ASN A 25 -10.754 -3.776 -3.582 1.00 0.00 O ATOM 400 CB ASN A 25 -10.671 -0.425 -2.873 1.00 0.00 C ATOM 401 CG ASN A 25 -11.745 -0.205 -3.918 1.00 0.00 C ATOM 402 OD1 ASN A 25 -12.800 -0.835 -4.016 1.00 0.00 O ATOM 403 ND2 ASN A 25 -11.472 0.844 -4.721 1.00 0.00 N ATOM 0 H ASN A 25 -9.634 -0.684 -0.835 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.779 -2.161 -1.995 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.738 0.362 -2.121 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.692 -0.334 -3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.146 1.133 -5.430 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.591 1.349 -4.619 1.00 0.00 H new ATOM 410 N ASP A 26 -8.782 -2.696 -3.338 1.00 0.00 N ATOM 411 CA ASP A 26 -7.936 -3.555 -4.186 1.00 0.00 C ATOM 412 C ASP A 26 -7.755 -4.941 -3.615 1.00 0.00 C ATOM 413 O ASP A 26 -7.946 -5.931 -4.315 1.00 0.00 O ATOM 414 CB ASP A 26 -6.542 -2.927 -4.437 1.00 0.00 C ATOM 415 CG ASP A 26 -6.599 -1.701 -5.358 1.00 0.00 C ATOM 416 OD1 ASP A 26 -5.497 -1.170 -5.665 1.00 0.00 O ATOM 417 OD2 ASP A 26 -7.711 -1.284 -5.775 1.00 0.00 O ATOM 0 H ASP A 26 -8.249 -1.938 -2.912 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.469 -3.639 -5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.101 -2.639 -3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.885 -3.677 -4.878 1.00 0.00 H new ATOM 422 N PHE A 27 -7.475 -5.033 -2.286 1.00 0.00 N ATOM 423 CA PHE A 27 -7.355 -6.251 -1.491 1.00 0.00 C ATOM 424 C PHE A 27 -8.693 -6.920 -1.334 1.00 0.00 C ATOM 425 O PHE A 27 -8.740 -8.128 -1.472 1.00 0.00 O ATOM 426 CB PHE A 27 -6.718 -6.008 -0.106 1.00 0.00 C ATOM 427 CG PHE A 27 -6.153 -7.212 0.615 1.00 0.00 C ATOM 428 CD1 PHE A 27 -6.929 -8.042 1.415 1.00 0.00 C ATOM 429 CD2 PHE A 27 -4.784 -7.365 0.625 1.00 0.00 C ATOM 430 CE1 PHE A 27 -6.330 -8.908 2.312 1.00 0.00 C ATOM 431 CE2 PHE A 27 -4.187 -8.182 1.554 1.00 0.00 C ATOM 432 CZ PHE A 27 -4.954 -8.934 2.408 1.00 0.00 C ATOM 0 H PHE A 27 -7.320 -4.197 -1.722 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.682 -6.909 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.917 -5.279 -0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.471 -5.552 0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.006 -8.011 1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.178 -6.841 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.933 -9.557 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.110 -8.233 1.613 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.479 -9.549 3.158 1.00 0.00 H new ATOM 442 N LEU A 28 -9.854 -6.196 -1.131 1.00 0.00 N ATOM 443 CA LEU A 28 -11.170 -6.864 -1.173 1.00 0.00 C ATOM 444 C LEU A 28 -11.522 -7.394 -2.545 1.00 0.00 C ATOM 445 O LEU A 28 -12.006 -8.508 -2.622 1.00 0.00 O ATOM 446 CB LEU A 28 -12.398 -6.136 -0.569 1.00 0.00 C ATOM 447 CG LEU A 28 -12.414 -6.034 0.970 1.00 0.00 C ATOM 448 CD1 LEU A 28 -13.852 -5.807 1.434 1.00 0.00 C ATOM 449 CD2 LEU A 28 -11.858 -7.251 1.717 1.00 0.00 C ATOM 0 H LEU A 28 -9.886 -5.193 -0.946 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.979 -7.679 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.443 -5.129 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.301 -6.654 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.751 -5.203 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.876 -5.733 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.233 -4.883 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.474 -6.643 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.915 -7.076 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.444 -8.134 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.818 -7.410 1.430 1.00 0.00 H new ATOM 461 N GLU A 29 -11.187 -6.712 -3.679 1.00 0.00 N ATOM 462 CA GLU A 29 -11.377 -7.308 -5.017 1.00 0.00 C ATOM 463 C GLU A 29 -10.513 -8.537 -5.300 1.00 0.00 C ATOM 464 O GLU A 29 -11.033 -9.580 -5.684 1.00 0.00 O ATOM 465 CB GLU A 29 -11.112 -6.291 -6.152 1.00 0.00 C ATOM 466 CG GLU A 29 -12.267 -5.299 -6.250 1.00 0.00 C ATOM 467 CD GLU A 29 -11.945 -4.192 -7.246 1.00 0.00 C ATOM 468 OE1 GLU A 29 -10.983 -3.420 -6.985 1.00 0.00 O ATOM 469 OE2 GLU A 29 -12.659 -4.097 -8.281 1.00 0.00 O ATOM 0 H GLU A 29 -10.794 -5.771 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.422 -7.618 -5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.180 -5.758 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.992 -6.816 -7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.174 -5.819 -6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.465 -4.866 -5.269 1.00 0.00 H new ATOM 476 N LEU A 30 -9.180 -8.447 -5.040 1.00 0.00 N ATOM 477 CA LEU A 30 -8.176 -9.505 -5.192 1.00 0.00 C ATOM 478 C LEU A 30 -8.378 -10.725 -4.290 1.00 0.00 C ATOM 479 O LEU A 30 -8.245 -11.866 -4.723 1.00 0.00 O ATOM 480 CB LEU A 30 -6.799 -8.858 -5.008 1.00 0.00 C ATOM 481 CG LEU A 30 -5.705 -9.326 -5.978 1.00 0.00 C ATOM 482 CD1 LEU A 30 -4.588 -8.287 -5.949 1.00 0.00 C ATOM 483 CD2 LEU A 30 -5.103 -10.706 -5.708 1.00 0.00 C ATOM 0 H LEU A 30 -8.767 -7.579 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.277 -9.931 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.910 -7.778 -5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.461 -9.050 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.190 -9.424 -6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.792 -8.590 -6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.983 -7.320 -6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.190 -8.209 -4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.343 -10.925 -6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.649 -10.717 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.888 -11.461 -5.756 1.00 0.00 H new ATOM 495 N LEU A 31 -8.834 -10.482 -3.025 1.00 0.00 N ATOM 496 CA LEU A 31 -9.284 -11.439 -2.019 1.00 0.00 C ATOM 497 C LEU A 31 -10.604 -12.086 -2.392 1.00 0.00 C ATOM 498 O LEU A 31 -10.766 -13.291 -2.202 1.00 0.00 O ATOM 499 CB LEU A 31 -9.443 -10.759 -0.634 1.00 0.00 C ATOM 500 CG LEU A 31 -9.789 -11.625 0.593 1.00 0.00 C ATOM 501 CD1 LEU A 31 -10.094 -10.705 1.788 1.00 0.00 C ATOM 502 CD2 LEU A 31 -8.651 -12.609 0.918 1.00 0.00 C ATOM 0 H LEU A 31 -8.893 -9.526 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.516 -12.211 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.511 -10.238 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.219 -9.999 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.672 -12.225 0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.340 -11.311 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.220 -10.091 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.938 -10.060 1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.924 -13.206 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.484 -13.266 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.739 -12.052 1.132 1.00 0.00 H new ATOM 514 N ARG A 32 -11.593 -11.323 -2.972 1.00 0.00 N ATOM 515 CA ARG A 32 -12.872 -11.895 -3.384 1.00 0.00 C ATOM 516 C ARG A 32 -12.783 -12.721 -4.666 1.00 0.00 C ATOM 517 O ARG A 32 -13.380 -13.792 -4.713 1.00 0.00 O ATOM 518 CB ARG A 32 -13.989 -10.836 -3.460 1.00 0.00 C ATOM 519 CG ARG A 32 -14.395 -10.266 -2.086 1.00 0.00 C ATOM 520 CD ARG A 32 -15.503 -9.215 -2.213 1.00 0.00 C ATOM 521 NE ARG A 32 -15.025 -8.103 -3.109 1.00 0.00 N ATOM 522 CZ ARG A 32 -15.841 -7.161 -3.672 1.00 0.00 C ATOM 523 NH1 ARG A 32 -17.190 -7.181 -3.467 1.00 0.00 N ATOM 524 NH2 ARG A 32 -15.290 -6.186 -4.453 1.00 0.00 N ATOM 0 H ARG A 32 -11.505 -10.323 -3.152 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.144 -12.596 -2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.659 -10.018 -4.100 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.865 -11.278 -3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.735 -11.077 -1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.524 -9.820 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.406 -9.668 -2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -15.763 -8.821 -1.230 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.026 -8.049 -3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.607 -7.908 -2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.782 -6.469 -3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.282 -6.167 -4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.886 -5.477 -4.880 1.00 0.00 H new ATOM 538 N ARG A 33 -12.031 -12.287 -5.730 1.00 0.00 N ATOM 539 CA ARG A 33 -11.744 -13.128 -6.894 1.00 0.00 C ATOM 540 C ARG A 33 -10.787 -14.249 -6.710 1.00 0.00 C ATOM 541 O ARG A 33 -11.062 -15.367 -7.122 1.00 0.00 O ATOM 542 CB ARG A 33 -11.366 -12.469 -8.246 1.00 0.00 C ATOM 543 CG ARG A 33 -10.755 -11.065 -8.201 1.00 0.00 C ATOM 544 CD ARG A 33 -10.239 -10.564 -9.557 1.00 0.00 C ATOM 545 NE ARG A 33 -8.996 -11.327 -9.919 1.00 0.00 N ATOM 546 CZ ARG A 33 -8.310 -11.122 -11.087 1.00 0.00 C ATOM 547 NH1 ARG A 33 -8.765 -10.238 -12.022 1.00 0.00 N ATOM 548 NH2 ARG A 33 -7.155 -11.813 -11.318 1.00 0.00 N ATOM 0 H ARG A 33 -11.622 -11.354 -5.784 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.770 -13.490 -6.964 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.662 -13.126 -8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.264 -12.426 -8.862 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.504 -10.366 -7.828 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.932 -11.061 -7.487 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.001 -10.701 -10.324 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.025 -9.496 -9.507 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.648 -12.029 -9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.627 -9.719 -11.856 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.243 -10.096 -12.887 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.810 -12.476 -10.624 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.638 -11.667 -12.185 1.00 0.00 H new ATOM 562 N ARG A 34 -9.565 -13.990 -6.188 1.00 0.00 N ATOM 563 CA ARG A 34 -8.549 -15.019 -6.247 1.00 0.00 C ATOM 564 C ARG A 34 -8.653 -16.073 -5.128 1.00 0.00 C ATOM 565 O ARG A 34 -8.246 -17.222 -5.284 1.00 0.00 O ATOM 566 CB ARG A 34 -7.120 -14.407 -6.261 1.00 0.00 C ATOM 567 CG ARG A 34 -6.793 -13.640 -7.556 1.00 0.00 C ATOM 568 CD ARG A 34 -6.227 -14.536 -8.671 1.00 0.00 C ATOM 569 NE ARG A 34 -4.866 -15.027 -8.256 1.00 0.00 N ATOM 570 CZ ARG A 34 -4.162 -15.973 -8.953 1.00 0.00 C ATOM 571 NH1 ARG A 34 -4.670 -16.526 -10.092 1.00 0.00 N ATOM 572 NH2 ARG A 34 -2.938 -16.367 -8.496 1.00 0.00 N ATOM 0 H ARG A 34 -9.285 -13.115 -5.745 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.734 -15.540 -7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.014 -13.732 -5.412 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.390 -15.205 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.697 -13.150 -7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.073 -12.853 -7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.893 -15.379 -8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.158 -13.978 -9.605 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.447 -14.635 -7.413 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.586 -16.236 -10.435 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.134 -17.229 -10.600 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.556 -15.958 -7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.405 -17.071 -9.007 1.00 0.00 H new ATOM 586 N PHE A 35 -9.180 -15.659 -3.952 1.00 0.00 N ATOM 587 CA PHE A 35 -9.223 -16.474 -2.750 1.00 0.00 C ATOM 588 C PHE A 35 -10.648 -16.898 -2.340 1.00 0.00 C ATOM 589 O PHE A 35 -10.820 -17.989 -1.786 1.00 0.00 O ATOM 590 CB PHE A 35 -8.402 -15.760 -1.626 1.00 0.00 C ATOM 591 CG PHE A 35 -6.963 -15.525 -2.038 1.00 0.00 C ATOM 592 CD1 PHE A 35 -6.638 -14.349 -2.692 1.00 0.00 C ATOM 593 CD2 PHE A 35 -5.933 -16.409 -1.763 1.00 0.00 C ATOM 594 CE1 PHE A 35 -5.358 -14.054 -3.081 1.00 0.00 C ATOM 595 CE2 PHE A 35 -4.635 -16.108 -2.132 1.00 0.00 C ATOM 596 CZ PHE A 35 -4.339 -14.930 -2.781 1.00 0.00 C ATOM 0 H PHE A 35 -9.589 -14.733 -3.826 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.746 -17.433 -2.953 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.871 -14.806 -1.385 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -8.426 -16.365 -0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.423 -13.638 -2.903 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.145 -17.339 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.150 -13.141 -3.619 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.842 -16.806 -1.908 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.320 -14.696 -3.051 1.00 0.00 H new ATOM 606 N GLY A 36 -11.731 -16.077 -2.597 1.00 0.00 N ATOM 607 CA GLY A 36 -13.135 -16.400 -2.330 1.00 0.00 C ATOM 608 C GLY A 36 -13.497 -16.233 -0.898 1.00 0.00 C ATOM 609 O GLY A 36 -13.529 -15.143 -0.329 1.00 0.00 O ATOM 0 H GLY A 36 -11.617 -15.151 -3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.773 -15.760 -2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.332 -17.428 -2.633 1.00 0.00 H new ATOM 613 N THR A 37 -13.703 -17.382 -0.230 1.00 0.00 N ATOM 614 CA THR A 37 -13.741 -17.381 1.215 1.00 0.00 C ATOM 615 C THR A 37 -12.973 -18.630 1.537 1.00 0.00 C ATOM 616 O THR A 37 -13.434 -19.748 1.354 1.00 0.00 O ATOM 617 CB THR A 37 -15.148 -17.388 1.818 1.00 0.00 C ATOM 618 OG1 THR A 37 -16.137 -17.807 0.896 1.00 0.00 O ATOM 619 CG2 THR A 37 -15.471 -15.954 2.228 1.00 0.00 C ATOM 0 H THR A 37 -13.841 -18.293 -0.667 1.00 0.00 H new ATOM 0 HA THR A 37 -13.325 -16.468 1.642 1.00 0.00 H new ATOM 0 HB THR A 37 -15.157 -18.086 2.655 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.984 -17.949 1.367 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.469 -15.916 2.664 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.741 -15.612 2.962 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.433 -15.308 1.351 1.00 0.00 H new ATOM 627 N LYS A 38 -11.766 -18.443 2.073 1.00 0.00 N ATOM 628 CA LYS A 38 -10.841 -19.488 2.414 1.00 0.00 C ATOM 629 C LYS A 38 -9.919 -18.845 3.404 1.00 0.00 C ATOM 630 O LYS A 38 -9.745 -17.630 3.370 1.00 0.00 O ATOM 631 CB LYS A 38 -10.013 -19.936 1.179 1.00 0.00 C ATOM 632 CG LYS A 38 -9.281 -21.274 1.380 1.00 0.00 C ATOM 633 CD LYS A 38 -7.784 -21.177 1.056 1.00 0.00 C ATOM 634 CE LYS A 38 -7.475 -20.916 -0.425 1.00 0.00 C ATOM 635 NZ LYS A 38 -6.015 -20.805 -0.648 1.00 0.00 N ATOM 0 H LYS A 38 -11.405 -17.513 2.285 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.355 -20.372 2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.677 -20.020 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.281 -19.163 0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.406 -21.602 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.738 -22.034 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.346 -20.377 1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.298 -22.104 1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.879 -21.725 -1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.967 -19.998 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.830 -20.629 -1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.636 -20.018 -0.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.552 -21.691 -0.361 1.00 0.00 H new ATOM 649 N ARG A 39 -9.264 -19.649 4.274 1.00 0.00 N ATOM 650 CA ARG A 39 -8.209 -19.244 5.205 1.00 0.00 C ATOM 651 C ARG A 39 -6.896 -18.899 4.417 1.00 0.00 C ATOM 652 O ARG A 39 -6.230 -19.756 3.847 1.00 0.00 O ATOM 653 CB ARG A 39 -7.919 -20.310 6.310 1.00 0.00 C ATOM 654 CG ARG A 39 -7.261 -21.658 5.920 1.00 0.00 C ATOM 655 CD ARG A 39 -8.091 -22.574 5.000 1.00 0.00 C ATOM 656 NE ARG A 39 -9.425 -22.840 5.643 1.00 0.00 N ATOM 657 CZ ARG A 39 -10.457 -23.473 5.001 1.00 0.00 C ATOM 658 NH1 ARG A 39 -10.310 -23.937 3.725 1.00 0.00 N ATOM 659 NH2 ARG A 39 -11.648 -23.638 5.647 1.00 0.00 N ATOM 0 H ARG A 39 -9.475 -20.645 4.341 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.571 -18.356 5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.280 -19.839 7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.866 -20.539 6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.311 -21.447 5.428 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.032 -22.206 6.834 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.230 -22.103 4.027 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.563 -23.512 4.828 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.568 -22.534 6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.423 -23.814 3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.087 -24.406 3.260 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.764 -23.291 6.599 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.422 -24.108 5.177 1.00 0.00 H new ATOM 673 N VAL A 40 -6.512 -17.610 4.309 1.00 0.00 N ATOM 674 CA VAL A 40 -5.368 -17.112 3.552 1.00 0.00 C ATOM 675 C VAL A 40 -4.512 -16.380 4.537 1.00 0.00 C ATOM 676 O VAL A 40 -5.042 -15.835 5.492 1.00 0.00 O ATOM 677 CB VAL A 40 -5.732 -16.098 2.447 1.00 0.00 C ATOM 678 CG1 VAL A 40 -7.134 -16.370 1.870 1.00 0.00 C ATOM 679 CG2 VAL A 40 -4.644 -16.122 1.353 1.00 0.00 C ATOM 0 H VAL A 40 -7.023 -16.860 4.774 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.894 -17.964 3.064 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.768 -15.098 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.357 -15.637 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.163 -17.372 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.876 -16.294 2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.899 -15.407 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.682 -15.854 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.582 -17.122 0.924 1.00 0.00 H new ATOM 689 N HIS A 41 -3.185 -16.275 4.313 1.00 0.00 N ATOM 690 CA HIS A 41 -2.303 -15.483 5.155 1.00 0.00 C ATOM 691 C HIS A 41 -2.174 -14.095 4.527 1.00 0.00 C ATOM 692 O HIS A 41 -1.745 -13.965 3.377 1.00 0.00 O ATOM 693 CB HIS A 41 -0.958 -16.221 5.309 1.00 0.00 C ATOM 694 CG HIS A 41 -0.049 -15.614 6.327 1.00 0.00 C ATOM 695 ND1 HIS A 41 0.675 -14.453 6.188 1.00 0.00 N ATOM 696 CD2 HIS A 41 0.096 -15.994 7.616 1.00 0.00 C ATOM 697 CE1 HIS A 41 1.206 -14.179 7.410 1.00 0.00 C ATOM 698 NE2 HIS A 41 0.867 -15.080 8.303 1.00 0.00 N ATOM 0 H HIS A 41 -2.709 -16.741 3.541 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.699 -15.352 6.162 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -1.153 -17.258 5.582 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -0.450 -16.235 4.345 1.00 0.00 H new ATOM 0 HD1 HIS A 41 0.791 -13.905 5.336 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -0.332 -16.887 8.047 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.831 -13.324 7.620 1.00 0.00 H new ATOM 706 N ASN A 42 -2.572 -12.996 5.239 1.00 0.00 N ATOM 707 CA ASN A 42 -2.621 -11.608 4.714 1.00 0.00 C ATOM 708 C ASN A 42 -1.336 -11.024 4.096 1.00 0.00 C ATOM 709 O ASN A 42 -1.373 -10.258 3.136 1.00 0.00 O ATOM 710 CB ASN A 42 -3.193 -10.631 5.777 1.00 0.00 C ATOM 711 CG ASN A 42 -4.717 -10.570 5.706 1.00 0.00 C ATOM 712 OD1 ASN A 42 -5.288 -11.116 4.768 1.00 0.00 O ATOM 713 ND2 ASN A 42 -5.356 -9.812 6.629 1.00 0.00 N ATOM 0 H ASN A 42 -2.872 -13.060 6.212 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.290 -11.706 3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.885 -10.951 6.772 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.779 -9.635 5.620 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.364 -9.672 6.564 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.829 -9.382 7.389 1.00 0.00 H new ATOM 720 N ASN A 43 -0.149 -11.485 4.592 1.00 0.00 N ATOM 721 CA ASN A 43 1.195 -11.243 4.053 1.00 0.00 C ATOM 722 C ASN A 43 1.407 -11.889 2.670 1.00 0.00 C ATOM 723 O ASN A 43 2.176 -11.382 1.868 1.00 0.00 O ATOM 724 CB ASN A 43 2.349 -11.566 5.051 1.00 0.00 C ATOM 725 CG ASN A 43 2.167 -10.831 6.387 1.00 0.00 C ATOM 726 OD1 ASN A 43 1.541 -11.337 7.325 1.00 0.00 O ATOM 727 ND2 ASN A 43 2.705 -9.588 6.492 1.00 0.00 N ATOM 0 H ASN A 43 -0.120 -12.068 5.428 1.00 0.00 H new ATOM 0 HA ASN A 43 1.247 -10.165 3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.386 -12.641 5.229 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.304 -11.283 4.607 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.596 -9.056 7.355 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.218 -9.187 5.707 1.00 0.00 H new ATOM 734 N ILE A 44 0.680 -12.996 2.330 1.00 0.00 N ATOM 735 CA ILE A 44 0.633 -13.629 1.003 1.00 0.00 C ATOM 736 C ILE A 44 -0.230 -12.793 0.050 1.00 0.00 C ATOM 737 O ILE A 44 0.136 -12.552 -1.099 1.00 0.00 O ATOM 738 CB ILE A 44 0.131 -15.072 1.061 1.00 0.00 C ATOM 739 CG1 ILE A 44 1.077 -15.856 2.004 1.00 0.00 C ATOM 740 CG2 ILE A 44 0.022 -15.692 -0.362 1.00 0.00 C ATOM 741 CD1 ILE A 44 0.833 -17.361 1.996 1.00 0.00 C ATOM 0 H ILE A 44 0.093 -13.480 3.010 1.00 0.00 H new ATOM 0 HA ILE A 44 1.654 -13.667 0.624 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.882 -15.118 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.109 -15.662 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.956 -15.482 3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.338 -16.718 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.676 -15.107 -0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.003 -15.686 -0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.531 -17.846 2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.189 -17.566 2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.983 -17.748 0.988 1.00 0.00 H new ATOM 753 N VAL A 45 -1.396 -12.294 0.561 1.00 0.00 N ATOM 754 CA VAL A 45 -2.359 -11.471 -0.192 1.00 0.00 C ATOM 755 C VAL A 45 -1.863 -10.040 -0.449 1.00 0.00 C ATOM 756 O VAL A 45 -2.074 -9.513 -1.539 1.00 0.00 O ATOM 757 CB VAL A 45 -3.786 -11.494 0.365 1.00 0.00 C ATOM 758 CG1 VAL A 45 -4.195 -12.936 0.706 1.00 0.00 C ATOM 759 CG2 VAL A 45 -4.798 -10.929 -0.664 1.00 0.00 C ATOM 0 H VAL A 45 -1.686 -12.463 1.524 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.421 -11.963 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.800 -10.873 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.211 -12.942 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.152 -13.549 -0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.512 -13.341 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.802 -10.958 -0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.535 -9.899 -0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.769 -11.532 -1.571 1.00 0.00 H new ATOM 769 N TYR A 46 -1.115 -9.388 0.517 1.00 0.00 N ATOM 770 CA TYR A 46 -0.495 -8.034 0.409 1.00 0.00 C ATOM 771 C TYR A 46 0.517 -7.986 -0.719 1.00 0.00 C ATOM 772 O TYR A 46 0.392 -7.166 -1.617 1.00 0.00 O ATOM 773 CB TYR A 46 0.176 -7.535 1.753 1.00 0.00 C ATOM 774 CG TYR A 46 -0.017 -6.062 2.140 1.00 0.00 C ATOM 775 CD1 TYR A 46 -0.261 -5.801 3.483 1.00 0.00 C ATOM 776 CD2 TYR A 46 0.008 -4.949 1.296 1.00 0.00 C ATOM 777 CE1 TYR A 46 -0.782 -4.595 3.891 1.00 0.00 C ATOM 778 CE2 TYR A 46 -0.364 -3.701 1.753 1.00 0.00 C ATOM 779 CZ TYR A 46 -0.838 -3.526 3.029 1.00 0.00 C ATOM 780 OH TYR A 46 -1.385 -2.287 3.428 1.00 0.00 O ATOM 0 H TYR A 46 -0.929 -9.820 1.422 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.318 -7.353 0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.207 -8.149 2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.247 -7.727 1.685 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.038 -6.559 4.220 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.323 -5.067 0.270 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.151 -4.487 4.900 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.281 -2.848 1.096 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.337 -2.261 3.198 1.00 0.00 H new ATOM 790 N ASN A 47 1.462 -8.968 -0.725 1.00 0.00 N ATOM 791 CA ASN A 47 2.509 -9.265 -1.702 1.00 0.00 C ATOM 792 C ASN A 47 1.968 -9.663 -3.058 1.00 0.00 C ATOM 793 O ASN A 47 2.560 -9.385 -4.101 1.00 0.00 O ATOM 794 CB ASN A 47 3.471 -10.315 -1.102 1.00 0.00 C ATOM 795 CG ASN A 47 4.308 -9.499 -0.125 1.00 0.00 C ATOM 796 OD1 ASN A 47 5.249 -8.811 -0.515 1.00 0.00 O ATOM 797 ND2 ASN A 47 3.824 -9.443 1.136 1.00 0.00 N ATOM 0 H ASN A 47 1.498 -9.635 0.046 1.00 0.00 H new ATOM 0 HA ASN A 47 3.067 -8.350 -1.900 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.930 -11.116 -0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.088 -10.781 -1.870 1.00 0.00 H new ATOM 0 HD21 ASN A 47 4.243 -8.807 1.815 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.040 -10.036 1.408 1.00 0.00 H new ATOM 804 N GLU A 48 0.743 -10.249 -3.052 1.00 0.00 N ATOM 805 CA GLU A 48 -0.054 -10.529 -4.268 1.00 0.00 C ATOM 806 C GLU A 48 -0.669 -9.255 -4.882 1.00 0.00 C ATOM 807 O GLU A 48 -0.642 -9.044 -6.090 1.00 0.00 O ATOM 808 CB GLU A 48 -1.160 -11.606 -4.072 1.00 0.00 C ATOM 809 CG GLU A 48 -1.764 -12.082 -5.411 1.00 0.00 C ATOM 810 CD GLU A 48 -2.376 -13.480 -5.338 1.00 0.00 C ATOM 811 OE1 GLU A 48 -3.579 -13.621 -5.683 1.00 0.00 O ATOM 812 OE2 GLU A 48 -1.634 -14.432 -4.972 1.00 0.00 O ATOM 0 H GLU A 48 0.279 -10.542 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 48 0.674 -10.941 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.740 -12.461 -3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.952 -11.199 -3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.530 -11.374 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.987 -12.073 -6.175 1.00 0.00 H new ATOM 819 N TYR A 49 -1.186 -8.358 -3.993 1.00 0.00 N ATOM 820 CA TYR A 49 -1.775 -7.041 -4.228 1.00 0.00 C ATOM 821 C TYR A 49 -0.769 -5.997 -4.727 1.00 0.00 C ATOM 822 O TYR A 49 -0.994 -5.382 -5.755 1.00 0.00 O ATOM 823 CB TYR A 49 -2.684 -6.657 -2.995 1.00 0.00 C ATOM 824 CG TYR A 49 -2.759 -5.193 -2.632 1.00 0.00 C ATOM 825 CD1 TYR A 49 -3.492 -4.272 -3.350 1.00 0.00 C ATOM 826 CD2 TYR A 49 -1.858 -4.730 -1.705 1.00 0.00 C ATOM 827 CE1 TYR A 49 -3.302 -2.921 -3.136 1.00 0.00 C ATOM 828 CE2 TYR A 49 -1.579 -3.395 -1.583 1.00 0.00 C ATOM 829 CZ TYR A 49 -2.311 -2.473 -2.288 1.00 0.00 C ATOM 830 OH TYR A 49 -2.010 -1.094 -2.214 1.00 0.00 O ATOM 0 H TYR A 49 -1.192 -8.580 -2.997 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.448 -7.073 -5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.696 -7.009 -3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.324 -7.205 -2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.214 -4.607 -4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.358 -5.435 -1.057 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.937 -2.207 -3.639 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.782 -3.068 -0.931 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.110 -0.936 -2.567 1.00 0.00 H new ATOM 840 N ILE A 50 0.377 -5.786 -4.048 1.00 0.00 N ATOM 841 CA ILE A 50 1.416 -4.805 -4.443 1.00 0.00 C ATOM 842 C ILE A 50 2.336 -5.151 -5.594 1.00 0.00 C ATOM 843 O ILE A 50 3.128 -4.341 -6.071 1.00 0.00 O ATOM 844 CB ILE A 50 2.333 -4.412 -3.338 1.00 0.00 C ATOM 845 CG1 ILE A 50 3.011 -5.636 -2.682 1.00 0.00 C ATOM 846 CG2 ILE A 50 1.509 -3.612 -2.348 1.00 0.00 C ATOM 847 CD1 ILE A 50 3.698 -5.425 -1.346 1.00 0.00 C ATOM 0 H ILE A 50 0.613 -6.298 -3.198 1.00 0.00 H new ATOM 0 HA ILE A 50 0.748 -4.005 -4.760 1.00 0.00 H new ATOM 0 HB ILE A 50 3.156 -3.809 -3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.255 -6.410 -2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.750 -6.026 -3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.141 -3.300 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.100 -2.731 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.693 -4.229 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.129 -6.367 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.489 -4.683 -1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.971 -5.073 -0.614 1.00 0.00 H new ATOM 859 N SER A 51 2.196 -6.376 -6.107 1.00 0.00 N ATOM 860 CA SER A 51 2.815 -6.888 -7.334 1.00 0.00 C ATOM 861 C SER A 51 1.948 -6.443 -8.536 1.00 0.00 C ATOM 862 O SER A 51 1.435 -7.239 -9.316 1.00 0.00 O ATOM 863 CB SER A 51 2.974 -8.432 -7.343 1.00 0.00 C ATOM 864 OG SER A 51 3.851 -8.846 -6.297 1.00 0.00 O ATOM 0 H SER A 51 1.614 -7.079 -5.651 1.00 0.00 H new ATOM 0 HA SER A 51 3.823 -6.478 -7.396 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.000 -8.905 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.366 -8.758 -8.306 1.00 0.00 H new ATOM 0 HG SER A 51 3.336 -9.304 -5.600 1.00 0.00 H new ATOM 870 N HIS A 52 1.752 -5.103 -8.611 1.00 0.00 N ATOM 871 CA HIS A 52 0.887 -4.285 -9.443 1.00 0.00 C ATOM 872 C HIS A 52 1.392 -2.863 -9.111 1.00 0.00 C ATOM 873 O HIS A 52 2.367 -2.723 -8.376 1.00 0.00 O ATOM 874 CB HIS A 52 -0.604 -4.430 -8.974 1.00 0.00 C ATOM 875 CG HIS A 52 -1.365 -5.705 -9.320 1.00 0.00 C ATOM 876 ND1 HIS A 52 -2.097 -5.912 -10.480 1.00 0.00 N ATOM 877 CD2 HIS A 52 -1.662 -6.768 -8.517 1.00 0.00 C ATOM 878 CE1 HIS A 52 -2.797 -7.066 -10.308 1.00 0.00 C ATOM 879 NE2 HIS A 52 -2.574 -7.613 -9.133 1.00 0.00 N ATOM 0 H HIS A 52 2.287 -4.499 -7.987 1.00 0.00 H new ATOM 0 HA HIS A 52 0.914 -4.543 -10.502 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.620 -4.321 -7.890 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.163 -3.590 -9.388 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.244 -6.930 -7.535 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.460 -7.485 -11.051 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.981 -8.469 -8.757 1.00 0.00 H new ATOM 887 N ARG A 53 0.732 -1.754 -9.585 1.00 0.00 N ATOM 888 CA ARG A 53 1.079 -0.329 -9.365 1.00 0.00 C ATOM 889 C ARG A 53 1.179 0.198 -7.929 1.00 0.00 C ATOM 890 O ARG A 53 1.957 1.088 -7.592 1.00 0.00 O ATOM 891 CB ARG A 53 0.115 0.628 -10.137 1.00 0.00 C ATOM 892 CG ARG A 53 -1.371 0.500 -9.737 1.00 0.00 C ATOM 893 CD ARG A 53 -1.945 1.470 -8.670 1.00 0.00 C ATOM 894 NE ARG A 53 -2.002 2.857 -9.248 1.00 0.00 N ATOM 895 CZ ARG A 53 -2.333 3.963 -8.511 1.00 0.00 C ATOM 896 NH1 ARG A 53 -2.627 3.857 -7.181 1.00 0.00 N ATOM 897 NH2 ARG A 53 -2.369 5.187 -9.114 1.00 0.00 N ATOM 0 H ARG A 53 -0.103 -1.851 -10.163 1.00 0.00 H new ATOM 0 HA ARG A 53 2.100 -0.323 -9.747 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.435 1.657 -9.971 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.209 0.433 -11.205 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.967 0.615 -10.642 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.530 -0.517 -9.378 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.941 1.148 -8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.320 1.460 -7.777 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.784 2.980 -10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.602 2.945 -6.724 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.872 4.689 -6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.150 5.273 -10.107 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.615 6.015 -8.572 1.00 0.00 H new ATOM 911 N GLU A 54 0.263 -0.353 -7.119 1.00 0.00 N ATOM 912 CA GLU A 54 -0.222 -0.061 -5.794 1.00 0.00 C ATOM 913 C GLU A 54 0.642 -0.225 -4.584 1.00 0.00 C ATOM 914 O GLU A 54 0.088 -0.218 -3.486 1.00 0.00 O ATOM 915 CB GLU A 54 -1.554 -0.815 -5.640 1.00 0.00 C ATOM 916 CG GLU A 54 -1.392 -2.330 -5.852 1.00 0.00 C ATOM 917 CD GLU A 54 -2.555 -2.817 -6.722 1.00 0.00 C ATOM 918 OE1 GLU A 54 -2.740 -2.241 -7.828 1.00 0.00 O ATOM 919 OE2 GLU A 54 -3.275 -3.764 -6.317 1.00 0.00 O ATOM 0 H GLU A 54 -0.238 -1.170 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.288 1.027 -5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.961 -0.630 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.276 -0.425 -6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.439 -2.547 -6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.390 -2.850 -4.894 1.00 0.00 H new ATOM 926 N HIS A 55 1.983 -0.415 -4.730 1.00 0.00 N ATOM 927 CA HIS A 55 2.979 -0.589 -3.658 1.00 0.00 C ATOM 928 C HIS A 55 2.880 0.289 -2.391 1.00 0.00 C ATOM 929 O HIS A 55 3.340 1.428 -2.303 1.00 0.00 O ATOM 930 CB HIS A 55 4.449 -0.703 -4.139 1.00 0.00 C ATOM 931 CG HIS A 55 5.326 -1.329 -3.075 1.00 0.00 C ATOM 932 ND1 HIS A 55 6.358 -0.691 -2.430 1.00 0.00 N ATOM 933 CD2 HIS A 55 5.151 -2.505 -2.413 1.00 0.00 C ATOM 934 CE1 HIS A 55 6.763 -1.504 -1.419 1.00 0.00 C ATOM 935 NE2 HIS A 55 6.050 -2.614 -1.355 1.00 0.00 N ATOM 0 H HIS A 55 2.412 -0.451 -5.655 1.00 0.00 H new ATOM 0 HA HIS A 55 2.647 -1.568 -3.311 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.491 -1.303 -5.048 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.830 0.287 -4.392 1.00 0.00 H new ATOM 0 HD1 HIS A 55 6.747 0.222 -2.666 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.415 -3.252 -2.673 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.574 -1.270 -0.746 1.00 0.00 H new ATOM 943 N ILE A 56 2.211 -0.347 -1.401 1.00 0.00 N ATOM 944 CA ILE A 56 1.862 0.030 -0.056 1.00 0.00 C ATOM 945 C ILE A 56 2.233 -1.197 0.708 1.00 0.00 C ATOM 946 O ILE A 56 1.896 -2.295 0.292 1.00 0.00 O ATOM 947 CB ILE A 56 0.372 0.221 0.132 1.00 0.00 C ATOM 948 CG1 ILE A 56 0.023 1.498 -0.627 1.00 0.00 C ATOM 949 CG2 ILE A 56 -0.108 0.346 1.615 1.00 0.00 C ATOM 950 CD1 ILE A 56 -1.464 1.672 -0.501 1.00 0.00 C ATOM 0 H ILE A 56 1.858 -1.286 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 56 2.343 0.964 0.235 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.134 -0.671 -0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.551 2.355 -0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.318 1.421 -1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.190 0.480 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.157 -0.559 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.373 1.205 2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.771 2.575 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.969 0.809 -0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.732 1.758 0.552 1.00 0.00 H new ATOM 962 N HIS A 57 2.852 -1.085 1.886 1.00 0.00 N ATOM 963 CA HIS A 57 3.017 -2.223 2.766 1.00 0.00 C ATOM 964 C HIS A 57 2.231 -1.852 4.004 1.00 0.00 C ATOM 965 O HIS A 57 1.999 -0.670 4.267 1.00 0.00 O ATOM 966 CB HIS A 57 4.500 -2.580 3.011 1.00 0.00 C ATOM 967 CG HIS A 57 4.759 -3.981 2.502 1.00 0.00 C ATOM 968 ND1 HIS A 57 5.384 -4.354 1.328 1.00 0.00 N ATOM 969 CD2 HIS A 57 4.275 -5.134 3.039 1.00 0.00 C ATOM 970 CE1 HIS A 57 5.270 -5.708 1.236 1.00 0.00 C ATOM 971 NE2 HIS A 57 4.586 -6.221 2.244 1.00 0.00 N ATOM 0 H HIS A 57 3.244 -0.214 2.244 1.00 0.00 H new ATOM 0 HA HIS A 57 2.638 -3.151 2.338 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.148 -1.868 2.500 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.732 -2.517 4.074 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.842 -3.735 0.659 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.721 -5.192 3.964 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.690 -6.295 0.432 1.00 0.00 H new ATOM 979 N MET A 58 1.799 -2.858 4.819 1.00 0.00 N ATOM 980 CA MET A 58 0.889 -2.793 5.987 1.00 0.00 C ATOM 981 C MET A 58 1.172 -1.795 7.067 1.00 0.00 C ATOM 982 O MET A 58 0.359 -1.500 7.937 1.00 0.00 O ATOM 983 CB MET A 58 0.757 -4.189 6.674 1.00 0.00 C ATOM 984 CG MET A 58 1.608 -4.534 7.927 1.00 0.00 C ATOM 985 SD MET A 58 1.037 -4.021 9.588 1.00 0.00 S ATOM 986 CE MET A 58 -0.743 -4.299 9.397 1.00 0.00 C ATOM 0 H MET A 58 2.110 -3.816 4.655 1.00 0.00 H new ATOM 0 HA MET A 58 -0.028 -2.446 5.511 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.290 -4.313 6.952 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.978 -4.942 5.918 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.732 -5.617 7.947 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.597 -4.102 7.776 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.197 -4.438 10.378 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.195 -3.437 8.907 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.909 -5.190 8.791 1.00 0.00 H new ATOM 996 N ASN A 59 2.398 -1.273 7.000 1.00 0.00 N ATOM 997 CA ASN A 59 3.096 -0.387 7.872 1.00 0.00 C ATOM 998 C ASN A 59 2.668 1.084 7.544 1.00 0.00 C ATOM 999 O ASN A 59 2.702 1.996 8.373 1.00 0.00 O ATOM 1000 CB ASN A 59 4.598 -0.792 7.681 1.00 0.00 C ATOM 1001 CG ASN A 59 4.712 -2.337 7.809 1.00 0.00 C ATOM 1002 OD1 ASN A 59 4.762 -3.087 6.666 1.00 0.00 O flip ATOM 1003 ND2 ASN A 59 4.652 -2.877 8.908 1.00 0.00 N flip ATOM 0 H ASN A 59 2.992 -1.513 6.206 1.00 0.00 H new ATOM 0 HA ASN A 59 2.875 -0.454 8.937 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.957 -0.465 6.705 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.221 -0.303 8.430 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.615 -2.309 9.754 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.639 -3.895 8.976 1.00 0.00 H new ATOM 1010 N ALA A 60 2.119 1.285 6.291 1.00 0.00 N ATOM 1011 CA ALA A 60 1.432 2.479 5.768 1.00 0.00 C ATOM 1012 C ALA A 60 -0.082 2.427 6.054 1.00 0.00 C ATOM 1013 O ALA A 60 -0.917 2.590 5.162 1.00 0.00 O ATOM 1014 CB ALA A 60 1.614 2.596 4.227 1.00 0.00 C ATOM 0 H ALA A 60 2.161 0.548 5.587 1.00 0.00 H new ATOM 0 HA ALA A 60 1.877 3.338 6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.097 3.485 3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.675 2.672 3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.197 1.713 3.743 1.00 0.00 H new ATOM 1020 N THR A 61 -0.449 2.136 7.326 1.00 0.00 N ATOM 1021 CA THR A 61 -1.818 1.988 7.816 1.00 0.00 C ATOM 1022 C THR A 61 -1.872 2.674 9.193 1.00 0.00 C ATOM 1023 O THR A 61 -1.204 3.680 9.416 1.00 0.00 O ATOM 1024 CB THR A 61 -2.315 0.514 7.850 1.00 0.00 C ATOM 1025 OG1 THR A 61 -1.699 -0.288 8.859 1.00 0.00 O ATOM 1026 CG2 THR A 61 -2.138 -0.232 6.505 1.00 0.00 C ATOM 0 H THR A 61 0.242 1.994 8.063 1.00 0.00 H new ATOM 0 HA THR A 61 -2.512 2.465 7.124 1.00 0.00 H new ATOM 0 HB THR A 61 -3.375 0.632 8.076 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.783 -0.508 8.588 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.506 -1.253 6.604 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.701 0.283 5.727 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.082 -0.252 6.236 1.00 0.00 H new ATOM 1034 N GLN A 62 -2.649 2.105 10.160 1.00 0.00 N ATOM 1035 CA GLN A 62 -2.735 2.540 11.555 1.00 0.00 C ATOM 1036 C GLN A 62 -2.691 1.291 12.445 1.00 0.00 C ATOM 1037 O GLN A 62 -3.122 1.239 13.598 1.00 0.00 O ATOM 1038 CB GLN A 62 -3.991 3.408 11.805 1.00 0.00 C ATOM 1039 CG GLN A 62 -5.333 2.669 11.617 1.00 0.00 C ATOM 1040 CD GLN A 62 -6.475 3.653 11.835 1.00 0.00 C ATOM 1041 OE1 GLN A 62 -6.369 4.857 11.595 1.00 0.00 O ATOM 1042 NE2 GLN A 62 -7.622 3.124 12.333 1.00 0.00 N ATOM 0 H GLN A 62 -3.248 1.303 9.965 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.889 3.182 11.802 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.948 3.802 12.820 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.965 4.263 11.130 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.390 2.241 10.616 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.409 1.841 12.322 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.682 2.124 12.522 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.424 3.727 12.518 1.00 0.00 H new ATOM 1051 N TRP A 63 -2.137 0.213 11.845 1.00 0.00 N ATOM 1052 CA TRP A 63 -1.959 -1.126 12.367 1.00 0.00 C ATOM 1053 C TRP A 63 -0.442 -1.419 12.454 1.00 0.00 C ATOM 1054 O TRP A 63 0.351 -0.779 11.771 1.00 0.00 O ATOM 1055 CB TRP A 63 -2.720 -2.124 11.439 1.00 0.00 C ATOM 1056 CG TRP A 63 -4.176 -1.737 11.083 1.00 0.00 C ATOM 1057 CD1 TRP A 63 -5.200 -1.389 11.928 1.00 0.00 C ATOM 1058 CD2 TRP A 63 -4.758 -1.738 9.752 1.00 0.00 C ATOM 1059 NE1 TRP A 63 -6.372 -1.204 11.214 1.00 0.00 N ATOM 1060 CE2 TRP A 63 -6.101 -1.423 9.885 1.00 0.00 C ATOM 1061 CE3 TRP A 63 -4.242 -2.005 8.511 1.00 0.00 C ATOM 1062 CZ2 TRP A 63 -6.918 -1.401 8.800 1.00 0.00 C ATOM 1063 CZ3 TRP A 63 -5.064 -1.912 7.398 1.00 0.00 C ATOM 1064 CH2 TRP A 63 -6.406 -1.622 7.534 1.00 0.00 C ATOM 0 H TRP A 63 -1.775 0.285 10.894 1.00 0.00 H new ATOM 0 HA TRP A 63 -2.372 -1.233 13.370 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -2.156 -2.231 10.513 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -2.731 -3.102 11.921 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -5.105 -1.276 12.998 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.278 -0.950 11.606 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -3.205 -2.285 8.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.973 -1.210 8.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -4.649 -2.068 6.413 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -7.046 -1.568 6.666 1.00 0.00 H new ATOM 1075 N GLU A 64 0.012 -2.360 13.332 1.00 0.00 N ATOM 1076 CA GLU A 64 1.427 -2.576 13.654 1.00 0.00 C ATOM 1077 C GLU A 64 2.181 -3.746 13.009 1.00 0.00 C ATOM 1078 O GLU A 64 3.254 -3.576 12.437 1.00 0.00 O ATOM 1079 CB GLU A 64 1.499 -2.710 15.206 1.00 0.00 C ATOM 1080 CG GLU A 64 2.913 -2.835 15.818 1.00 0.00 C ATOM 1081 CD GLU A 64 2.819 -2.804 17.344 1.00 0.00 C ATOM 1082 OE1 GLU A 64 2.379 -1.757 17.892 1.00 0.00 O ATOM 1083 OE2 GLU A 64 3.187 -3.826 17.983 1.00 0.00 O ATOM 0 H GLU A 64 -0.614 -2.990 13.834 1.00 0.00 H new ATOM 0 HA GLU A 64 1.947 -1.721 13.221 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.011 -1.841 15.647 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.920 -3.585 15.501 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.380 -3.764 15.492 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.545 -2.020 15.466 1.00 0.00 H new ATOM 1090 N THR A 65 1.679 -4.996 13.157 1.00 0.00 N ATOM 1091 CA THR A 65 2.427 -6.201 12.781 1.00 0.00 C ATOM 1092 C THR A 65 1.485 -7.212 12.168 1.00 0.00 C ATOM 1093 O THR A 65 1.636 -8.418 12.366 1.00 0.00 O ATOM 1094 CB THR A 65 3.170 -6.786 14.004 1.00 0.00 C ATOM 1095 OG1 THR A 65 3.937 -7.950 13.699 1.00 0.00 O ATOM 1096 CG2 THR A 65 2.220 -7.101 15.182 1.00 0.00 C ATOM 0 H THR A 65 0.752 -5.187 13.538 1.00 0.00 H new ATOM 0 HA THR A 65 3.181 -5.940 12.039 1.00 0.00 H new ATOM 0 HB THR A 65 3.858 -5.995 14.303 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.403 -8.559 13.147 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.794 -7.509 16.014 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.720 -6.186 15.501 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.475 -7.830 14.864 1.00 0.00 H new ATOM 1104 N LEU A 66 0.473 -6.713 11.422 1.00 0.00 N ATOM 1105 CA LEU A 66 -0.600 -7.451 10.774 1.00 0.00 C ATOM 1106 C LEU A 66 -1.788 -7.685 11.699 1.00 0.00 C ATOM 1107 O LEU A 66 -2.936 -7.531 11.304 1.00 0.00 O ATOM 1108 CB LEU A 66 -0.156 -8.724 9.999 1.00 0.00 C ATOM 1109 CG LEU A 66 -0.873 -9.026 8.660 1.00 0.00 C ATOM 1110 CD1 LEU A 66 -0.429 -8.073 7.541 1.00 0.00 C ATOM 1111 CD2 LEU A 66 -2.400 -9.050 8.765 1.00 0.00 C ATOM 0 H LEU A 66 0.392 -5.710 11.254 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.948 -6.787 9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.912 -8.642 9.799 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.292 -9.583 10.656 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.563 -10.038 8.401 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.957 -8.322 6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.659 -7.046 7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.645 -8.174 7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.829 -9.268 7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.704 -9.820 9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.756 -8.079 9.109 1.00 0.00 H new ATOM 1123 N THR A 67 -1.570 -8.038 12.985 1.00 0.00 N ATOM 1124 CA THR A 67 -2.453 -8.465 14.060 1.00 0.00 C ATOM 1125 C THR A 67 -3.551 -7.501 14.386 1.00 0.00 C ATOM 1126 O THR A 67 -4.673 -7.915 14.579 1.00 0.00 O ATOM 1127 CB THR A 67 -1.581 -8.671 15.301 1.00 0.00 C ATOM 1128 OG1 THR A 67 -0.536 -9.573 14.980 1.00 0.00 O ATOM 1129 CG2 THR A 67 -2.394 -9.282 16.450 1.00 0.00 C ATOM 0 H THR A 67 -0.611 -8.021 13.331 1.00 0.00 H new ATOM 0 HA THR A 67 -2.955 -9.375 13.732 1.00 0.00 H new ATOM 0 HB THR A 67 -1.191 -7.702 15.612 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.892 -10.485 14.940 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.750 -9.418 17.319 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.217 -8.615 16.708 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.793 -10.248 16.140 1.00 0.00 H new ATOM 1137 N ASP A 68 -3.249 -6.183 14.377 1.00 0.00 N ATOM 1138 CA ASP A 68 -4.169 -5.048 14.496 1.00 0.00 C ATOM 1139 C ASP A 68 -5.038 -4.752 13.273 1.00 0.00 C ATOM 1140 O ASP A 68 -6.145 -4.242 13.392 1.00 0.00 O ATOM 1141 CB ASP A 68 -3.428 -3.768 14.985 1.00 0.00 C ATOM 1142 CG ASP A 68 -4.201 -3.046 16.095 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -3.706 -3.048 17.254 1.00 0.00 O ATOM 1144 OD2 ASP A 68 -5.287 -2.481 15.796 1.00 0.00 O ATOM 0 H ASP A 68 -2.283 -5.871 14.279 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.884 -5.370 15.253 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.438 -4.040 15.350 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.283 -3.090 14.144 1.00 0.00 H new ATOM 1149 N PHE A 69 -4.560 -5.111 12.048 1.00 0.00 N ATOM 1150 CA PHE A 69 -5.285 -5.067 10.770 1.00 0.00 C ATOM 1151 C PHE A 69 -6.265 -6.246 10.739 1.00 0.00 C ATOM 1152 O PHE A 69 -7.408 -6.155 10.288 1.00 0.00 O ATOM 1153 CB PHE A 69 -4.243 -5.120 9.602 1.00 0.00 C ATOM 1154 CG PHE A 69 -4.726 -5.432 8.205 1.00 0.00 C ATOM 1155 CD1 PHE A 69 -3.904 -6.204 7.410 1.00 0.00 C ATOM 1156 CD2 PHE A 69 -5.981 -5.090 7.732 1.00 0.00 C ATOM 1157 CE1 PHE A 69 -4.384 -6.782 6.260 1.00 0.00 C ATOM 1158 CE2 PHE A 69 -6.454 -5.641 6.563 1.00 0.00 C ATOM 1159 CZ PHE A 69 -5.676 -6.531 5.852 1.00 0.00 C ATOM 0 H PHE A 69 -3.607 -5.455 11.933 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.859 -4.147 10.656 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.737 -4.155 9.568 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.491 -5.865 9.865 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -2.873 -6.355 7.695 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.591 -4.389 8.282 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.749 -7.432 5.676 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.437 -5.376 6.201 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.077 -7.028 4.981 1.00 0.00 H new ATOM 1169 N THR A 70 -5.803 -7.388 11.314 1.00 0.00 N ATOM 1170 CA THR A 70 -6.552 -8.625 11.522 1.00 0.00 C ATOM 1171 C THR A 70 -7.597 -8.452 12.628 1.00 0.00 C ATOM 1172 O THR A 70 -8.717 -8.933 12.507 1.00 0.00 O ATOM 1173 CB THR A 70 -5.707 -9.897 11.535 1.00 0.00 C ATOM 1174 OG1 THR A 70 -4.368 -9.725 11.934 1.00 0.00 O ATOM 1175 CG2 THR A 70 -5.627 -10.424 10.097 1.00 0.00 C ATOM 0 H THR A 70 -4.845 -7.459 11.658 1.00 0.00 H new ATOM 0 HA THR A 70 -7.138 -8.819 10.623 1.00 0.00 H new ATOM 0 HB THR A 70 -6.194 -10.558 12.252 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.045 -10.547 12.358 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.028 -11.334 10.076 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.631 -10.642 9.733 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.165 -9.671 9.459 1.00 0.00 H new ATOM 1183 N LYS A 71 -7.278 -7.631 13.677 1.00 0.00 N ATOM 1184 CA LYS A 71 -8.283 -7.139 14.649 1.00 0.00 C ATOM 1185 C LYS A 71 -9.401 -6.226 14.074 1.00 0.00 C ATOM 1186 O LYS A 71 -10.540 -6.344 14.504 1.00 0.00 O ATOM 1187 CB LYS A 71 -7.717 -6.408 15.913 1.00 0.00 C ATOM 1188 CG LYS A 71 -6.688 -7.175 16.769 1.00 0.00 C ATOM 1189 CD LYS A 71 -7.009 -8.668 16.925 1.00 0.00 C ATOM 1190 CE LYS A 71 -5.948 -9.534 17.621 1.00 0.00 C ATOM 1191 NZ LYS A 71 -6.540 -10.805 18.106 1.00 0.00 N ATOM 0 H LYS A 71 -6.331 -7.302 13.862 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.708 -8.100 14.940 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.257 -5.476 15.586 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.558 -6.141 16.554 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.702 -7.069 16.318 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.637 -6.718 17.757 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.941 -8.759 17.482 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.189 -9.083 15.933 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.135 -9.748 16.928 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.517 -8.986 18.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.783 -11.438 18.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.191 -10.607 18.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.062 -11.263 17.332 1.00 0.00 H new ATOM 1205 N TRP A 72 -9.100 -5.311 13.101 1.00 0.00 N ATOM 1206 CA TRP A 72 -10.045 -4.375 12.452 1.00 0.00 C ATOM 1207 C TRP A 72 -10.889 -4.998 11.323 1.00 0.00 C ATOM 1208 O TRP A 72 -12.103 -4.846 11.251 1.00 0.00 O ATOM 1209 CB TRP A 72 -9.326 -3.070 11.969 1.00 0.00 C ATOM 1210 CG TRP A 72 -10.170 -2.010 11.235 1.00 0.00 C ATOM 1211 CD1 TRP A 72 -10.921 -0.969 11.707 1.00 0.00 C ATOM 1212 CD2 TRP A 72 -10.290 -1.976 9.800 1.00 0.00 C ATOM 1213 NE1 TRP A 72 -11.456 -0.258 10.650 1.00 0.00 N ATOM 1214 CE2 TRP A 72 -11.047 -0.855 9.468 1.00 0.00 C ATOM 1215 CE3 TRP A 72 -9.774 -2.794 8.834 1.00 0.00 C ATOM 1216 CZ2 TRP A 72 -11.257 -0.509 8.156 1.00 0.00 C ATOM 1217 CZ3 TRP A 72 -9.935 -2.415 7.524 1.00 0.00 C ATOM 1218 CH2 TRP A 72 -10.659 -1.290 7.176 1.00 0.00 C ATOM 0 H TRP A 72 -8.151 -5.210 12.741 1.00 0.00 H new ATOM 0 HA TRP A 72 -10.758 -4.111 13.233 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -8.876 -2.594 12.840 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.510 -3.363 11.309 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -11.073 -0.737 12.751 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -12.051 0.567 10.727 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -9.258 -3.707 9.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -11.867 0.343 7.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -9.484 -3.012 6.745 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -10.760 -1.017 6.136 1.00 0.00 H new ATOM 1229 N LEU A 73 -10.272 -5.756 10.391 1.00 0.00 N ATOM 1230 CA LEU A 73 -10.899 -6.488 9.293 1.00 0.00 C ATOM 1231 C LEU A 73 -11.799 -7.622 9.791 1.00 0.00 C ATOM 1232 O LEU A 73 -12.911 -7.821 9.298 1.00 0.00 O ATOM 1233 CB LEU A 73 -9.795 -6.734 8.261 1.00 0.00 C ATOM 1234 CG LEU A 73 -10.043 -7.698 7.087 1.00 0.00 C ATOM 1235 CD1 LEU A 73 -10.508 -6.863 5.908 1.00 0.00 C ATOM 1236 CD2 LEU A 73 -8.726 -8.400 6.691 1.00 0.00 C ATOM 0 H LEU A 73 -9.259 -5.874 10.394 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.666 -5.942 8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.527 -5.767 7.836 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.921 -7.098 8.801 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.780 -8.450 7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.695 -7.513 5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.426 -6.339 6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.737 -6.137 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.912 -9.080 5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.991 -7.653 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.344 -8.964 7.542 1.00 0.00 H new ATOM 1248 N GLY A 74 -11.326 -8.225 10.930 1.00 0.00 N ATOM 1249 CA GLY A 74 -12.068 -9.006 11.930 1.00 0.00 C ATOM 1250 C GLY A 74 -13.246 -8.336 12.611 1.00 0.00 C ATOM 1251 O GLY A 74 -14.238 -8.974 12.942 1.00 0.00 O ATOM 0 H GLY A 74 -10.338 -8.161 11.174 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.431 -9.913 11.446 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.365 -9.316 12.703 1.00 0.00 H new ATOM 1255 N ARG A 75 -13.141 -7.003 12.842 1.00 0.00 N ATOM 1256 CA ARG A 75 -14.147 -6.144 13.489 1.00 0.00 C ATOM 1257 C ARG A 75 -15.247 -5.625 12.590 1.00 0.00 C ATOM 1258 O ARG A 75 -16.422 -5.641 12.940 1.00 0.00 O ATOM 1259 CB ARG A 75 -13.456 -4.906 14.091 1.00 0.00 C ATOM 1260 CG ARG A 75 -14.254 -4.006 15.048 1.00 0.00 C ATOM 1261 CD ARG A 75 -13.494 -2.696 15.319 1.00 0.00 C ATOM 1262 NE ARG A 75 -14.330 -1.795 16.192 1.00 0.00 N ATOM 1263 CZ ARG A 75 -15.250 -0.899 15.711 1.00 0.00 C ATOM 1264 NH1 ARG A 75 -15.458 -0.753 14.370 1.00 0.00 N ATOM 1265 NH2 ARG A 75 -15.971 -0.144 16.591 1.00 0.00 N ATOM 0 H ARG A 75 -12.310 -6.479 12.566 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.613 -6.793 14.230 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.569 -5.249 14.623 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.112 -4.285 13.264 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.231 -3.784 14.618 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.431 -4.531 15.987 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.543 -2.910 15.806 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.265 -2.196 14.378 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.204 -1.856 17.202 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.925 -1.316 13.707 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.147 -0.081 14.031 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.823 -0.250 17.595 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.658 0.526 16.245 1.00 0.00 H new ATOM 1279 N GLU A 76 -14.850 -5.106 11.397 1.00 0.00 N ATOM 1280 CA GLU A 76 -15.666 -4.471 10.366 1.00 0.00 C ATOM 1281 C GLU A 76 -16.620 -5.399 9.653 1.00 0.00 C ATOM 1282 O GLU A 76 -17.526 -4.953 8.954 1.00 0.00 O ATOM 1283 CB GLU A 76 -14.752 -3.872 9.269 1.00 0.00 C ATOM 1284 CG GLU A 76 -13.901 -2.699 9.772 1.00 0.00 C ATOM 1285 CD GLU A 76 -14.725 -1.415 9.842 1.00 0.00 C ATOM 1286 OE1 GLU A 76 -15.181 -0.941 8.767 1.00 0.00 O ATOM 1287 OE2 GLU A 76 -14.905 -0.887 10.973 1.00 0.00 O ATOM 0 H GLU A 76 -13.867 -5.131 11.125 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.250 -3.723 10.902 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.095 -4.652 8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.368 -3.536 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.501 -2.932 10.759 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.049 -2.553 9.108 1.00 0.00 H new ATOM 1294 N GLY A 77 -16.408 -6.730 9.818 1.00 0.00 N ATOM 1295 CA GLY A 77 -17.274 -7.732 9.205 1.00 0.00 C ATOM 1296 C GLY A 77 -16.833 -8.116 7.821 1.00 0.00 C ATOM 1297 O GLY A 77 -17.623 -8.574 7.001 1.00 0.00 O ATOM 0 H GLY A 77 -15.644 -7.118 10.371 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.295 -8.622 9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -18.293 -7.348 9.163 1.00 0.00 H new ATOM 1301 N LEU A 78 -15.521 -7.969 7.534 1.00 0.00 N ATOM 1302 CA LEU A 78 -14.938 -8.361 6.265 1.00 0.00 C ATOM 1303 C LEU A 78 -14.166 -9.631 6.387 1.00 0.00 C ATOM 1304 O LEU A 78 -14.137 -10.384 5.425 1.00 0.00 O ATOM 1305 CB LEU A 78 -14.025 -7.255 5.715 1.00 0.00 C ATOM 1306 CG LEU A 78 -14.871 -6.042 5.307 1.00 0.00 C ATOM 1307 CD1 LEU A 78 -13.969 -4.833 5.011 1.00 0.00 C ATOM 1308 CD2 LEU A 78 -15.856 -6.428 4.186 1.00 0.00 C ATOM 0 H LEU A 78 -14.848 -7.572 8.189 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.762 -8.522 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.295 -6.964 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.465 -7.626 4.856 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.503 -5.720 6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.585 -3.981 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.395 -4.581 5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.287 -5.079 4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.449 -5.557 3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.299 -6.781 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.517 -7.219 4.539 1.00 0.00 H new ATOM 1320 N CYS A 79 -13.522 -9.980 7.517 1.00 0.00 N ATOM 1321 CA CYS A 79 -12.882 -11.299 7.609 1.00 0.00 C ATOM 1322 C CYS A 79 -13.014 -11.936 8.965 1.00 0.00 C ATOM 1323 O CYS A 79 -13.121 -11.258 9.968 1.00 0.00 O ATOM 1324 CB CYS A 79 -11.412 -11.343 7.132 1.00 0.00 C ATOM 1325 SG CYS A 79 -11.052 -10.459 5.591 1.00 0.00 S ATOM 0 H CYS A 79 -13.434 -9.392 8.346 1.00 0.00 H new ATOM 0 HA CYS A 79 -13.454 -11.896 6.899 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -10.782 -10.931 7.920 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -11.122 -12.386 7.006 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.166 -10.152 4.996 1.00 0.00 H new ATOM 1331 N LYS A 80 -12.954 -13.290 9.022 1.00 0.00 N ATOM 1332 CA LYS A 80 -12.840 -14.121 10.210 1.00 0.00 C ATOM 1333 C LYS A 80 -11.350 -14.394 10.388 1.00 0.00 C ATOM 1334 O LYS A 80 -10.625 -14.425 9.408 1.00 0.00 O ATOM 1335 CB LYS A 80 -13.629 -15.449 10.138 1.00 0.00 C ATOM 1336 CG LYS A 80 -15.118 -15.290 9.827 1.00 0.00 C ATOM 1337 CD LYS A 80 -15.911 -14.536 10.911 1.00 0.00 C ATOM 1338 CE LYS A 80 -17.436 -14.633 10.734 1.00 0.00 C ATOM 1339 NZ LYS A 80 -17.921 -16.019 10.929 1.00 0.00 N ATOM 0 H LYS A 80 -12.988 -13.852 8.172 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.280 -13.593 11.056 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.178 -16.083 9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.524 -15.971 11.089 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.226 -14.761 8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.557 -16.278 9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.641 -14.933 11.890 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.618 -13.486 10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.928 -13.971 11.447 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.710 -14.288 9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.957 -16.014 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.649 -16.600 10.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.498 -16.417 11.792 1.00 0.00 H new ATOM 1353 N VAL A 81 -10.779 -14.490 11.603 1.00 0.00 N ATOM 1354 CA VAL A 81 -9.346 -14.644 11.779 1.00 0.00 C ATOM 1355 C VAL A 81 -9.045 -15.770 12.745 1.00 0.00 C ATOM 1356 O VAL A 81 -9.826 -16.103 13.635 1.00 0.00 O ATOM 1357 CB VAL A 81 -8.696 -13.363 12.295 1.00 0.00 C ATOM 1358 CG1 VAL A 81 -9.665 -12.532 13.156 1.00 0.00 C ATOM 1359 CG2 VAL A 81 -8.114 -12.511 11.169 1.00 0.00 C ATOM 0 H VAL A 81 -11.304 -14.462 12.477 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.930 -14.875 10.798 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.868 -13.680 12.929 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.161 -11.629 13.502 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.535 -12.256 12.561 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.985 -13.121 14.015 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.664 -11.612 11.589 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.354 -13.082 10.636 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.908 -12.230 10.478 1.00 0.00 H new ATOM 1369 N ASP A 82 -7.821 -16.332 12.577 1.00 0.00 N ATOM 1370 CA ASP A 82 -7.253 -17.368 13.440 1.00 0.00 C ATOM 1371 C ASP A 82 -5.724 -17.263 13.429 1.00 0.00 C ATOM 1372 O ASP A 82 -5.117 -16.947 12.406 1.00 0.00 O ATOM 1373 CB ASP A 82 -7.715 -18.797 12.993 1.00 0.00 C ATOM 1374 CG ASP A 82 -7.394 -19.894 14.022 1.00 0.00 C ATOM 1375 OD1 ASP A 82 -6.622 -20.827 13.672 1.00 0.00 O ATOM 1376 OD2 ASP A 82 -7.916 -19.803 15.163 1.00 0.00 O ATOM 0 H ASP A 82 -7.197 -16.063 11.817 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.615 -17.212 14.456 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.790 -18.783 12.812 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.235 -19.046 12.046 1.00 0.00 H new ATOM 1381 N GLU A 83 -5.036 -17.557 14.569 1.00 0.00 N ATOM 1382 CA GLU A 83 -3.579 -17.560 14.652 1.00 0.00 C ATOM 1383 C GLU A 83 -3.094 -18.970 14.959 1.00 0.00 C ATOM 1384 O GLU A 83 -3.677 -19.716 15.748 1.00 0.00 O ATOM 1385 CB GLU A 83 -3.011 -16.526 15.653 1.00 0.00 C ATOM 1386 CG GLU A 83 -1.471 -16.392 15.573 1.00 0.00 C ATOM 1387 CD GLU A 83 -0.949 -15.247 16.438 1.00 0.00 C ATOM 1388 OE1 GLU A 83 0.280 -14.973 16.356 1.00 0.00 O ATOM 1389 OE2 GLU A 83 -1.752 -14.633 17.192 1.00 0.00 O ATOM 0 H GLU A 83 -5.494 -17.797 15.448 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.196 -17.246 13.681 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.466 -15.554 15.461 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.293 -16.815 16.665 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.009 -17.326 15.892 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.175 -16.227 14.537 1.00 0.00 H new ATOM 1396 N THR A 84 -1.982 -19.333 14.264 1.00 0.00 N ATOM 1397 CA THR A 84 -1.308 -20.620 14.266 1.00 0.00 C ATOM 1398 C THR A 84 0.134 -20.439 14.619 1.00 0.00 C ATOM 1399 O THR A 84 0.622 -19.313 14.709 1.00 0.00 O ATOM 1400 CB THR A 84 -1.329 -21.277 12.851 1.00 0.00 C ATOM 1401 OG1 THR A 84 -0.543 -20.650 11.846 1.00 0.00 O ATOM 1402 CG2 THR A 84 -2.736 -21.259 12.245 1.00 0.00 C ATOM 0 H THR A 84 -1.514 -18.669 13.647 1.00 0.00 H new ATOM 0 HA THR A 84 -1.830 -21.249 14.987 1.00 0.00 H new ATOM 0 HB THR A 84 -0.930 -22.267 13.073 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.129 -20.300 11.143 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.714 -21.724 11.260 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.418 -21.811 12.892 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.079 -20.229 12.152 1.00 0.00 H new ATOM 1410 N PRO A 85 0.883 -21.556 14.753 1.00 0.00 N ATOM 1411 CA PRO A 85 2.324 -21.518 14.761 1.00 0.00 C ATOM 1412 C PRO A 85 3.041 -21.146 13.446 1.00 0.00 C ATOM 1413 O PRO A 85 4.270 -21.085 13.457 1.00 0.00 O ATOM 1414 CB PRO A 85 2.716 -22.917 15.245 1.00 0.00 C ATOM 1415 CG PRO A 85 1.471 -23.518 15.893 1.00 0.00 C ATOM 1416 CD PRO A 85 0.385 -22.912 15.027 1.00 0.00 C ATOM 0 HA PRO A 85 2.652 -20.696 15.398 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.056 -23.534 14.413 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.538 -22.864 15.959 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.470 -24.607 15.856 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.372 -23.234 16.941 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.240 -23.480 14.108 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.575 -22.891 15.543 1.00 0.00 H new ATOM 1424 N LYS A 86 2.308 -20.901 12.327 1.00 0.00 N ATOM 1425 CA LYS A 86 2.846 -20.551 11.032 1.00 0.00 C ATOM 1426 C LYS A 86 2.271 -19.213 10.536 1.00 0.00 C ATOM 1427 O LYS A 86 2.168 -18.968 9.332 1.00 0.00 O ATOM 1428 CB LYS A 86 2.562 -21.692 10.025 1.00 0.00 C ATOM 1429 CG LYS A 86 3.548 -21.738 8.848 1.00 0.00 C ATOM 1430 CD LYS A 86 3.522 -23.081 8.105 1.00 0.00 C ATOM 1431 CE LYS A 86 2.185 -23.415 7.422 1.00 0.00 C ATOM 1432 NZ LYS A 86 1.883 -22.455 6.334 1.00 0.00 N ATOM 0 H LYS A 86 1.289 -20.950 12.328 1.00 0.00 H new ATOM 0 HA LYS A 86 3.925 -20.424 11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.594 -22.646 10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.550 -21.577 9.636 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.310 -20.936 8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.557 -21.551 9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.308 -23.078 7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.761 -23.876 8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.223 -24.426 7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.383 -23.397 8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.239 -22.899 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.432 -21.607 6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.766 -22.184 5.855 1.00 0.00 H new ATOM 1446 N GLY A 87 1.834 -18.307 11.461 1.00 0.00 N ATOM 1447 CA GLY A 87 1.353 -16.963 11.122 1.00 0.00 C ATOM 1448 C GLY A 87 -0.054 -16.595 11.504 1.00 0.00 C ATOM 1449 O GLY A 87 -0.728 -17.269 12.286 1.00 0.00 O ATOM 0 H GLY A 87 1.812 -18.505 12.461 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.024 -16.242 11.588 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.449 -16.837 10.044 1.00 0.00 H new ATOM 1453 N TRP A 88 -0.537 -15.486 10.865 1.00 0.00 N ATOM 1454 CA TRP A 88 -1.874 -14.896 10.956 1.00 0.00 C ATOM 1455 C TRP A 88 -2.648 -15.240 9.680 1.00 0.00 C ATOM 1456 O TRP A 88 -2.347 -14.792 8.573 1.00 0.00 O ATOM 1457 CB TRP A 88 -1.849 -13.342 11.177 1.00 0.00 C ATOM 1458 CG TRP A 88 -1.930 -12.930 12.646 1.00 0.00 C ATOM 1459 CD1 TRP A 88 -0.940 -12.779 13.567 1.00 0.00 C ATOM 1460 CD2 TRP A 88 -3.165 -12.713 13.347 1.00 0.00 C ATOM 1461 NE1 TRP A 88 -1.486 -12.481 14.810 1.00 0.00 N ATOM 1462 CE2 TRP A 88 -2.861 -12.491 14.686 1.00 0.00 C ATOM 1463 CE3 TRP A 88 -4.451 -12.694 12.910 1.00 0.00 C ATOM 1464 CZ2 TRP A 88 -3.855 -12.309 15.606 1.00 0.00 C ATOM 1465 CZ3 TRP A 88 -5.440 -12.454 13.841 1.00 0.00 C ATOM 1466 CH2 TRP A 88 -5.153 -12.270 15.170 1.00 0.00 C ATOM 0 H TRP A 88 0.058 -14.955 10.229 1.00 0.00 H new ATOM 0 HA TRP A 88 -2.366 -15.317 11.833 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.934 -12.937 10.745 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -2.682 -12.893 10.636 1.00 0.00 H new ATOM 0 HD1 TRP A 88 0.116 -12.876 13.362 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -0.963 -12.289 15.664 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.691 -12.861 11.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.622 -12.198 16.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.469 -12.410 13.515 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -5.953 -12.094 15.874 1.00 0.00 H new ATOM 1477 N TYR A 89 -3.709 -16.067 9.841 1.00 0.00 N ATOM 1478 CA TYR A 89 -4.571 -16.564 8.788 1.00 0.00 C ATOM 1479 C TYR A 89 -5.901 -15.882 8.965 1.00 0.00 C ATOM 1480 O TYR A 89 -6.355 -15.604 10.077 1.00 0.00 O ATOM 1481 CB TYR A 89 -4.796 -18.107 8.846 1.00 0.00 C ATOM 1482 CG TYR A 89 -3.496 -18.774 8.540 1.00 0.00 C ATOM 1483 CD1 TYR A 89 -3.223 -19.245 7.272 1.00 0.00 C ATOM 1484 CD2 TYR A 89 -2.505 -18.806 9.495 1.00 0.00 C ATOM 1485 CE1 TYR A 89 -1.950 -19.666 6.945 1.00 0.00 C ATOM 1486 CE2 TYR A 89 -1.219 -19.135 9.148 1.00 0.00 C ATOM 1487 CZ TYR A 89 -0.927 -19.546 7.867 1.00 0.00 C ATOM 1488 OH TYR A 89 0.412 -19.787 7.489 1.00 0.00 O ATOM 0 H TYR A 89 -3.984 -16.411 10.761 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.100 -16.354 7.828 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.154 -18.403 9.832 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.558 -18.408 8.127 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.009 -19.284 6.532 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.741 -18.571 10.522 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.753 -20.088 5.971 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.431 -19.071 9.884 1.00 0.00 H new ATOM 0 HH TYR A 89 1.014 -19.305 8.093 1.00 0.00 H new ATOM 1498 N ILE A 90 -6.550 -15.585 7.841 1.00 0.00 N ATOM 1499 CA ILE A 90 -7.809 -14.910 7.717 1.00 0.00 C ATOM 1500 C ILE A 90 -8.670 -15.729 6.796 1.00 0.00 C ATOM 1501 O ILE A 90 -8.236 -16.176 5.745 1.00 0.00 O ATOM 1502 CB ILE A 90 -7.684 -13.479 7.173 1.00 0.00 C ATOM 1503 CG1 ILE A 90 -7.446 -13.292 5.638 1.00 0.00 C ATOM 1504 CG2 ILE A 90 -6.518 -12.774 7.885 1.00 0.00 C ATOM 1505 CD1 ILE A 90 -7.995 -11.974 5.106 1.00 0.00 C ATOM 0 H ILE A 90 -6.166 -15.837 6.930 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.246 -14.815 8.711 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.671 -13.058 7.368 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.377 -13.343 5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.913 -14.117 5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.421 -11.757 7.505 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.711 -12.744 8.957 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.594 -13.320 7.698 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.799 -11.904 4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.070 -11.930 5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.509 -11.144 5.619 1.00 0.00 H new ATOM 1517 N GLN A 91 -9.943 -15.917 7.116 1.00 0.00 N ATOM 1518 CA GLN A 91 -10.958 -16.589 6.360 1.00 0.00 C ATOM 1519 C GLN A 91 -11.969 -15.485 6.172 1.00 0.00 C ATOM 1520 O GLN A 91 -12.624 -15.087 7.119 1.00 0.00 O ATOM 1521 CB GLN A 91 -11.287 -17.847 7.178 1.00 0.00 C ATOM 1522 CG GLN A 91 -12.604 -18.646 7.063 1.00 0.00 C ATOM 1523 CD GLN A 91 -13.783 -18.150 6.236 1.00 0.00 C ATOM 1524 OE1 GLN A 91 -13.513 -18.183 4.907 1.00 0.00 O flip ATOM 1525 NE2 GLN A 91 -14.877 -17.840 6.703 1.00 0.00 N flip ATOM 0 H GLN A 91 -10.313 -15.564 7.999 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.771 -16.995 5.366 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.485 -18.557 6.976 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.200 -17.557 8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.341 -19.630 6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.972 -18.791 8.079 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -15.017 -17.834 7.713 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.645 -17.588 6.080 1.00 0.00 H new ATOM 1534 N TYR A 92 -12.108 -14.923 4.948 1.00 0.00 N ATOM 1535 CA TYR A 92 -12.989 -13.825 4.539 1.00 0.00 C ATOM 1536 C TYR A 92 -14.469 -14.057 4.868 1.00 0.00 C ATOM 1537 O TYR A 92 -14.938 -15.185 4.973 1.00 0.00 O ATOM 1538 CB TYR A 92 -12.652 -13.398 3.075 1.00 0.00 C ATOM 1539 CG TYR A 92 -13.541 -12.338 2.405 1.00 0.00 C ATOM 1540 CD1 TYR A 92 -13.282 -11.043 2.778 1.00 0.00 C ATOM 1541 CD2 TYR A 92 -14.620 -12.534 1.536 1.00 0.00 C ATOM 1542 CE1 TYR A 92 -14.076 -9.988 2.422 1.00 0.00 C ATOM 1543 CE2 TYR A 92 -15.410 -11.467 1.131 1.00 0.00 C ATOM 1544 CZ TYR A 92 -15.120 -10.180 1.561 1.00 0.00 C ATOM 1545 OH TYR A 92 -15.841 -9.032 1.187 1.00 0.00 O ATOM 0 H TYR A 92 -11.555 -15.262 4.160 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.783 -12.952 5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -11.627 -13.028 3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.675 -14.293 2.453 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -12.408 -10.847 3.382 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -14.841 -13.528 1.176 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -13.878 -9.004 2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -16.253 -11.639 0.479 1.00 0.00 H new ATOM 0 HH TYR A 92 -15.762 -8.353 1.889 1.00 0.00 H new ATOM 1555 N ILE A 93 -15.240 -12.987 5.144 1.00 0.00 N ATOM 1556 CA ILE A 93 -16.650 -13.016 5.465 1.00 0.00 C ATOM 1557 C ILE A 93 -17.322 -12.943 4.146 1.00 0.00 C ATOM 1558 O ILE A 93 -17.216 -11.940 3.446 1.00 0.00 O ATOM 1559 CB ILE A 93 -17.050 -11.843 6.355 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -16.442 -12.160 7.737 1.00 0.00 C ATOM 1561 CG2 ILE A 93 -18.567 -11.509 6.327 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -17.148 -11.605 8.955 1.00 0.00 C ATOM 0 H ILE A 93 -14.862 -12.040 5.145 1.00 0.00 H new ATOM 0 HA ILE A 93 -16.926 -13.908 6.028 1.00 0.00 H new ATOM 0 HB ILE A 93 -16.651 -10.897 5.988 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -16.392 -13.244 7.842 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -15.416 -11.791 7.746 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -18.766 -10.664 6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -18.865 -11.254 5.310 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -19.136 -12.375 6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -16.612 -11.906 9.855 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -17.175 -10.517 8.895 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -18.166 -11.992 8.993 1.00 0.00 H new ATOM 1574 N ASP A 94 -18.013 -14.042 3.748 1.00 0.00 N ATOM 1575 CA ASP A 94 -18.695 -14.099 2.466 1.00 0.00 C ATOM 1576 C ASP A 94 -19.982 -13.315 2.501 1.00 0.00 C ATOM 1577 O ASP A 94 -21.017 -13.782 2.955 1.00 0.00 O ATOM 1578 CB ASP A 94 -18.870 -15.479 1.787 1.00 0.00 C ATOM 1579 CG ASP A 94 -19.871 -16.463 2.408 1.00 0.00 C ATOM 1580 OD1 ASP A 94 -19.682 -16.829 3.598 1.00 0.00 O ATOM 1581 OD2 ASP A 94 -20.825 -16.866 1.691 1.00 0.00 O ATOM 0 H ASP A 94 -18.102 -14.890 4.308 1.00 0.00 H new ATOM 0 HA ASP A 94 -17.980 -13.622 1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -19.168 -15.307 0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -17.895 -15.965 1.762 1.00 0.00 H new ATOM 1586 N ARG A 95 -19.862 -12.048 2.044 1.00 0.00 N ATOM 1587 CA ARG A 95 -20.805 -10.959 2.088 1.00 0.00 C ATOM 1588 C ARG A 95 -22.108 -11.263 1.365 1.00 0.00 C ATOM 1589 O ARG A 95 -23.061 -11.762 1.952 1.00 0.00 O ATOM 1590 CB ARG A 95 -20.050 -9.703 1.615 1.00 0.00 C ATOM 1591 CG ARG A 95 -18.753 -9.382 2.404 1.00 0.00 C ATOM 1592 CD ARG A 95 -18.495 -7.878 2.411 1.00 0.00 C ATOM 1593 NE ARG A 95 -18.462 -7.348 1.000 1.00 0.00 N ATOM 1594 CZ ARG A 95 -18.226 -6.034 0.699 1.00 0.00 C ATOM 1595 NH1 ARG A 95 -18.083 -5.103 1.687 1.00 0.00 N ATOM 1596 NH2 ARG A 95 -18.135 -5.652 -0.608 1.00 0.00 N ATOM 0 H ARG A 95 -18.998 -11.754 1.589 1.00 0.00 H new ATOM 0 HA ARG A 95 -21.164 -10.785 3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -19.796 -9.825 0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -20.721 -8.847 1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -18.842 -9.747 3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.907 -9.901 1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -19.275 -7.371 2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -17.549 -7.666 2.909 1.00 0.00 H new ATOM 0 HE ARG A 95 -18.623 -8.000 0.233 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -18.152 -5.383 2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -17.907 -4.127 1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -18.243 -6.343 -1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -17.959 -4.675 -0.843 1.00 0.00 H new ATOM 1610 N ASP A 96 -22.140 -11.054 0.046 1.00 0.00 N ATOM 1611 CA ASP A 96 -23.141 -11.620 -0.843 1.00 0.00 C ATOM 1612 C ASP A 96 -22.487 -12.793 -1.550 1.00 0.00 C ATOM 1613 O ASP A 96 -21.519 -12.511 -2.251 1.00 0.00 O ATOM 1614 CB ASP A 96 -23.678 -10.570 -1.826 1.00 0.00 C ATOM 1615 CG ASP A 96 -24.801 -11.037 -2.764 1.00 0.00 C ATOM 1616 OD1 ASP A 96 -25.802 -11.610 -2.256 1.00 0.00 O ATOM 1617 OD2 ASP A 96 -24.667 -10.812 -3.995 1.00 0.00 O ATOM 0 H ASP A 96 -21.454 -10.474 -0.437 1.00 0.00 H new ATOM 0 HA ASP A 96 -24.012 -11.960 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -24.042 -9.717 -1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -22.848 -10.214 -2.435 1.00 0.00 H new ATOM 1622 N PRO A 97 -22.911 -14.074 -1.472 1.00 0.00 N ATOM 1623 CA PRO A 97 -22.268 -15.253 -2.081 1.00 0.00 C ATOM 1624 C PRO A 97 -22.159 -15.240 -3.591 1.00 0.00 C ATOM 1625 O PRO A 97 -21.186 -15.777 -4.117 1.00 0.00 O ATOM 1626 CB PRO A 97 -23.096 -16.444 -1.625 1.00 0.00 C ATOM 1627 CG PRO A 97 -23.700 -15.959 -0.303 1.00 0.00 C ATOM 1628 CD PRO A 97 -23.943 -14.461 -0.534 1.00 0.00 C ATOM 0 HA PRO A 97 -21.228 -15.281 -1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -23.868 -16.701 -2.351 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -22.481 -17.333 -1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -24.627 -16.483 -0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -23.021 -16.129 0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -24.938 -14.277 -0.939 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -23.868 -13.897 0.396 1.00 0.00 H new ATOM 1636 N GLU A 98 -23.073 -14.500 -4.301 1.00 0.00 N ATOM 1637 CA GLU A 98 -22.948 -14.158 -5.725 1.00 0.00 C ATOM 1638 C GLU A 98 -21.713 -13.296 -5.927 1.00 0.00 C ATOM 1639 O GLU A 98 -20.914 -13.556 -6.795 1.00 0.00 O ATOM 1640 CB GLU A 98 -24.151 -13.425 -6.378 1.00 0.00 C ATOM 1641 CG GLU A 98 -25.397 -14.306 -6.583 1.00 0.00 C ATOM 1642 CD GLU A 98 -26.046 -14.682 -5.251 1.00 0.00 C ATOM 1643 OE1 GLU A 98 -26.102 -15.901 -4.939 1.00 0.00 O ATOM 1644 OE2 GLU A 98 -26.495 -13.753 -4.527 1.00 0.00 O ATOM 0 H GLU A 98 -23.923 -14.128 -3.876 1.00 0.00 H new ATOM 0 HA GLU A 98 -22.892 -15.126 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -24.422 -12.572 -5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -23.838 -13.028 -7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -26.120 -13.776 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -25.118 -15.212 -7.121 1.00 0.00 H new ATOM 1651 N THR A 99 -21.403 -12.328 -5.036 1.00 0.00 N ATOM 1652 CA THR A 99 -20.153 -11.556 -5.075 1.00 0.00 C ATOM 1653 C THR A 99 -18.862 -12.374 -4.877 1.00 0.00 C ATOM 1654 O THR A 99 -17.834 -12.002 -5.404 1.00 0.00 O ATOM 1655 CB THR A 99 -20.236 -10.300 -4.175 1.00 0.00 C ATOM 1656 OG1 THR A 99 -20.381 -9.131 -4.959 1.00 0.00 O ATOM 1657 CG2 THR A 99 -19.057 -10.043 -3.222 1.00 0.00 C ATOM 0 H THR A 99 -22.020 -12.063 -4.268 1.00 0.00 H new ATOM 0 HA THR A 99 -20.060 -11.214 -6.106 1.00 0.00 H new ATOM 0 HB THR A 99 -21.103 -10.519 -3.552 1.00 0.00 H new ATOM 0 HG1 THR A 99 -20.433 -8.348 -4.372 1.00 0.00 H new ATOM 0 HG21 THR A 99 -19.242 -9.133 -2.651 1.00 0.00 H new ATOM 0 HG22 THR A 99 -18.951 -10.885 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.140 -9.928 -3.800 1.00 0.00 H new ATOM 1665 N ILE A 100 -18.874 -13.526 -4.151 1.00 0.00 N ATOM 1666 CA ILE A 100 -17.825 -14.530 -4.043 1.00 0.00 C ATOM 1667 C ILE A 100 -17.727 -15.402 -5.273 1.00 0.00 C ATOM 1668 O ILE A 100 -16.666 -15.533 -5.842 1.00 0.00 O ATOM 1669 CB ILE A 100 -18.172 -15.356 -2.812 1.00 0.00 C ATOM 1670 CG1 ILE A 100 -17.746 -14.578 -1.561 1.00 0.00 C ATOM 1671 CG2 ILE A 100 -17.509 -16.762 -2.738 1.00 0.00 C ATOM 1672 CD1 ILE A 100 -18.403 -13.238 -1.220 1.00 0.00 C ATOM 0 H ILE A 100 -19.688 -13.778 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.848 -14.054 -3.955 1.00 0.00 H new ATOM 0 HB ILE A 100 -19.247 -15.525 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -17.895 -15.237 -0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -16.674 -14.400 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -17.823 -17.265 -1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.815 -17.354 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -16.424 -16.653 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -17.969 -12.843 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -18.234 -12.532 -2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -19.475 -13.383 -1.082 1.00 0.00 H new ATOM 1684 N ARG A 101 -18.842 -15.989 -5.763 1.00 0.00 N ATOM 1685 CA ARG A 101 -18.910 -16.882 -6.917 1.00 0.00 C ATOM 1686 C ARG A 101 -18.811 -16.182 -8.266 1.00 0.00 C ATOM 1687 O ARG A 101 -18.120 -16.629 -9.180 1.00 0.00 O ATOM 1688 CB ARG A 101 -20.256 -17.650 -6.853 1.00 0.00 C ATOM 1689 CG ARG A 101 -20.373 -18.640 -5.672 1.00 0.00 C ATOM 1690 CD ARG A 101 -21.600 -19.565 -5.767 1.00 0.00 C ATOM 1691 NE ARG A 101 -21.475 -20.422 -6.999 1.00 0.00 N ATOM 1692 CZ ARG A 101 -22.481 -21.227 -7.464 1.00 0.00 C ATOM 1693 NH1 ARG A 101 -23.670 -21.317 -6.802 1.00 0.00 N ATOM 1694 NH2 ARG A 101 -22.287 -21.948 -8.607 1.00 0.00 N ATOM 0 H ARG A 101 -19.756 -15.839 -5.337 1.00 0.00 H new ATOM 0 HA ARG A 101 -18.044 -17.541 -6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -21.069 -16.927 -6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -20.392 -18.198 -7.785 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -19.471 -19.250 -5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -20.423 -18.077 -4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -21.668 -20.192 -4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -22.515 -18.974 -5.811 1.00 0.00 H new ATOM 0 HE ARG A 101 -20.595 -20.402 -7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -23.820 -20.780 -5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -24.409 -21.921 -7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -21.400 -21.884 -9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -23.029 -22.551 -8.962 1.00 0.00 H new ATOM 1708 N ARG A 102 -19.489 -15.016 -8.409 1.00 0.00 N ATOM 1709 CA ARG A 102 -19.532 -14.180 -9.614 1.00 0.00 C ATOM 1710 C ARG A 102 -18.215 -13.470 -9.867 1.00 0.00 C ATOM 1711 O ARG A 102 -17.765 -13.386 -11.003 1.00 0.00 O ATOM 1712 CB ARG A 102 -20.857 -13.369 -9.776 1.00 0.00 C ATOM 1713 CG ARG A 102 -20.835 -11.857 -10.040 1.00 0.00 C ATOM 1714 CD ARG A 102 -20.428 -11.012 -8.829 1.00 0.00 C ATOM 1715 NE ARG A 102 -20.140 -9.604 -9.281 1.00 0.00 N ATOM 1716 CZ ARG A 102 -19.191 -8.799 -8.708 1.00 0.00 C ATOM 1717 NH1 ARG A 102 -18.432 -9.231 -7.660 1.00 0.00 N ATOM 1718 NH2 ARG A 102 -18.997 -7.540 -9.201 1.00 0.00 N ATOM 0 H ARG A 102 -20.043 -14.623 -7.648 1.00 0.00 H new ATOM 0 HA ARG A 102 -19.609 -14.837 -10.481 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -21.413 -13.827 -10.594 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -21.439 -13.525 -8.868 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -20.145 -11.653 -10.859 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -21.825 -11.543 -10.371 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -21.226 -11.012 -8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -19.547 -11.441 -8.351 1.00 0.00 H new ATOM 0 HE ARG A 102 -20.683 -9.228 -10.059 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -18.565 -10.171 -7.287 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -17.731 -8.614 -7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -19.556 -7.209 -9.987 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -18.293 -6.931 -8.783 1.00 0.00 H new ATOM 1732 N GLN A 103 -17.497 -13.080 -8.781 1.00 0.00 N ATOM 1733 CA GLN A 103 -16.125 -12.576 -8.789 1.00 0.00 C ATOM 1734 C GLN A 103 -15.072 -13.535 -9.338 1.00 0.00 C ATOM 1735 O GLN A 103 -14.151 -13.137 -10.040 1.00 0.00 O ATOM 1736 CB GLN A 103 -15.851 -12.027 -7.429 1.00 0.00 C ATOM 1737 CG GLN A 103 -14.612 -11.159 -7.321 1.00 0.00 C ATOM 1738 CD GLN A 103 -14.601 -9.776 -7.989 1.00 0.00 C ATOM 1739 OE1 GLN A 103 -14.842 -9.532 -9.175 1.00 0.00 O ATOM 1740 NE2 GLN A 103 -14.153 -8.854 -7.087 1.00 0.00 N ATOM 0 H GLN A 103 -17.890 -13.116 -7.840 1.00 0.00 H new ATOM 0 HA GLN A 103 -16.039 -11.777 -9.525 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -16.714 -11.442 -7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -15.754 -12.859 -6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.407 -11.012 -6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -13.777 -11.727 -7.731 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.975 -9.130 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.996 -7.889 -7.379 1.00 0.00 H new ATOM 1749 N LEU A 104 -15.243 -14.856 -9.070 1.00 0.00 N ATOM 1750 CA LEU A 104 -14.433 -15.932 -9.645 1.00 0.00 C ATOM 1751 C LEU A 104 -14.895 -16.325 -11.047 1.00 0.00 C ATOM 1752 O LEU A 104 -14.121 -16.319 -11.996 1.00 0.00 O ATOM 1753 CB LEU A 104 -14.314 -17.243 -8.804 1.00 0.00 C ATOM 1754 CG LEU A 104 -14.692 -17.188 -7.318 1.00 0.00 C ATOM 1755 CD1 LEU A 104 -14.591 -18.584 -6.669 1.00 0.00 C ATOM 1756 CD2 LEU A 104 -13.896 -16.177 -6.484 1.00 0.00 C ATOM 0 H LEU A 104 -15.965 -15.196 -8.435 1.00 0.00 H new ATOM 0 HA LEU A 104 -13.444 -15.473 -9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.938 -18.001 -9.278 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -13.283 -17.590 -8.873 1.00 0.00 H new ATOM 0 HG LEU A 104 -15.724 -16.838 -7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -14.864 -18.516 -5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -15.268 -19.271 -7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.569 -18.952 -6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.235 -16.212 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -12.835 -16.425 -6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.051 -15.174 -6.883 1.00 0.00 H new ATOM 1768 N GLU A 105 -16.195 -16.714 -11.211 1.00 0.00 N ATOM 1769 CA GLU A 105 -16.785 -17.224 -12.455 1.00 0.00 C ATOM 1770 C GLU A 105 -16.894 -16.235 -13.632 1.00 0.00 C ATOM 1771 O GLU A 105 -16.737 -16.627 -14.784 1.00 0.00 O ATOM 1772 CB GLU A 105 -18.166 -17.906 -12.201 1.00 0.00 C ATOM 1773 CG GLU A 105 -18.143 -19.065 -11.173 1.00 0.00 C ATOM 1774 CD GLU A 105 -19.523 -19.723 -11.118 1.00 0.00 C ATOM 1775 OE1 GLU A 105 -19.627 -20.921 -11.493 1.00 0.00 O ATOM 1776 OE2 GLU A 105 -20.489 -19.034 -10.690 1.00 0.00 O ATOM 0 H GLU A 105 -16.870 -16.674 -10.447 1.00 0.00 H new ATOM 0 HA GLU A 105 -16.049 -17.958 -12.783 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -18.871 -17.149 -11.857 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -18.546 -18.288 -13.149 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -17.389 -19.800 -11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -17.869 -18.687 -10.188 1.00 0.00 H new