USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 866 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 95 GLN : amide:sc= 1.01 K(o=0.8,f=-3.4!) USER MOD Set 1.2: A 103 ASN : amide:sc= 0.0694 K(o=0.8,f=-5.1!) USER MOD Set 1.3: A 113 HIS : no HD1:sc= -0.284 K(o=0.8,f=-2.6) USER MOD Set 2.1: A 29 SER OG : rot -108:sc= 1.03 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -2.99 K(o=-2,f=-7.5!) USER MOD Set 3.1: A 63 GLN : amide:sc= 0.362 K(o=0.75,f=-2.7) USER MOD Set 3.2: A 64 LYS NZ :NH3+ 172:sc= 0.39 (180deg=0) USER MOD Set 4.1: A 36 GLN : amide:sc= 1.53 K(o=2.4,f=-3.4!) USER MOD Set 4.2: A 116 THR OG1 : rot -145:sc= 0.874 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.48) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -150:sc= -0.0307 USER MOD Single : A 49 GLN : amide:sc= -1.03 X(o=-1,f=-1) USER MOD Single : A 51 ASN : amide:sc= -0.0324 X(o=-0.032,f=-0.032) USER MOD Single : A 53 GLN : amide:sc= 1.31 K(o=1.3,f=-6.5!) USER MOD Single : A 58 SER OG : rot -23:sc= 0.853 USER MOD Single : A 60 CYS SG : rot 99:sc= -0.18 USER MOD Single : A 61 HIS : no HD1:sc= -1.02! C(o=-1!,f=-4.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -63:sc= 1.14 USER MOD Single : A 83 MET CE :methyl -169:sc= 0 (180deg=-0.149) USER MOD Single : A 87 GLN : amide:sc= 0.858 K(o=0.86,f=-5.3!) USER MOD Single : A 88 THR OG1 : rot 180:sc=0.000827 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HE2:sc= 0.671 K(o=0.67,f=-2.4!) USER MOD Single : A 101 GLN : amide:sc= 0.326 K(o=0.33,f=-0.63) USER MOD Single : A 109 CYS SG : rot -140:sc= 0 USER MOD Single : A 114 CYS SG : rot 180:sc= -0.14 USER MOD Single : A 115 CYS SG : rot 180:sc= 0 USER MOD Single : B1141 ASN : amide:sc= -2.25 X(o=-2.2,f=-2.4!) USER MOD Single : B1142 GLN : amide:sc= 0.449 K(o=0.45,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 248 N TRP A 19 4.756 3.706 8.540 1.00 0.00 N ATOM 249 CA TRP A 19 5.548 2.675 7.842 1.00 0.00 C ATOM 250 C TRP A 19 5.999 3.102 6.427 1.00 0.00 C ATOM 251 O TRP A 19 6.414 2.263 5.627 1.00 0.00 O ATOM 252 CB TRP A 19 4.706 1.381 7.771 1.00 0.00 C ATOM 253 CG TRP A 19 4.116 0.864 9.051 1.00 0.00 C ATOM 254 CD1 TRP A 19 2.804 0.598 9.248 1.00 0.00 C ATOM 255 CD2 TRP A 19 4.786 0.501 10.303 1.00 0.00 C ATOM 256 NE1 TRP A 19 2.613 0.097 10.519 1.00 0.00 N ATOM 257 CE2 TRP A 19 3.800 0.009 11.214 1.00 0.00 C ATOM 258 CE3 TRP A 19 6.123 0.523 10.763 1.00 0.00 C ATOM 259 CZ2 TRP A 19 4.120 -0.439 12.505 1.00 0.00 C ATOM 260 CZ3 TRP A 19 6.455 0.076 12.058 1.00 0.00 C ATOM 261 CH2 TRP A 19 5.460 -0.405 12.928 1.00 0.00 C ATOM 0 HA TRP A 19 6.465 2.515 8.409 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.889 1.550 7.069 1.00 0.00 H new ATOM 0 HB3 TRP A 19 5.332 0.595 7.349 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.023 0.755 8.519 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.706 -0.175 10.898 1.00 0.00 H new ATOM 0 HE3 TRP A 19 6.903 0.888 10.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.347 -0.805 13.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.484 0.103 12.385 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.725 -0.747 13.918 1.00 0.00 H new ATOM 272 N PHE A 20 5.922 4.396 6.101 1.00 0.00 N ATOM 273 CA PHE A 20 6.181 4.902 4.746 1.00 0.00 C ATOM 274 C PHE A 20 7.652 5.121 4.340 1.00 0.00 C ATOM 275 O PHE A 20 8.490 5.579 5.121 1.00 0.00 O ATOM 276 CB PHE A 20 5.357 6.184 4.500 1.00 0.00 C ATOM 277 CG PHE A 20 3.918 6.221 5.010 1.00 0.00 C ATOM 278 CD1 PHE A 20 3.130 5.054 5.104 1.00 0.00 C ATOM 279 CD2 PHE A 20 3.361 7.455 5.397 1.00 0.00 C ATOM 280 CE1 PHE A 20 1.818 5.117 5.610 1.00 0.00 C ATOM 281 CE2 PHE A 20 2.047 7.521 5.900 1.00 0.00 C ATOM 282 CZ PHE A 20 1.277 6.350 6.011 1.00 0.00 C ATOM 0 H PHE A 20 5.678 5.126 6.770 1.00 0.00 H new ATOM 0 HA PHE A 20 5.864 4.086 4.097 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.893 7.018 4.953 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.335 6.366 3.425 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.537 4.106 4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.946 8.358 5.307 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.227 4.217 5.690 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.631 8.471 6.200 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.272 6.398 6.404 1.00 0.00 H new ATOM 292 N HIS A 21 7.915 4.831 3.061 1.00 0.00 N ATOM 293 CA HIS A 21 9.158 5.015 2.288 1.00 0.00 C ATOM 294 C HIS A 21 8.768 5.469 0.868 1.00 0.00 C ATOM 295 O HIS A 21 7.711 5.045 0.412 1.00 0.00 O ATOM 296 CB HIS A 21 9.906 3.665 2.248 1.00 0.00 C ATOM 297 CG HIS A 21 10.756 3.393 3.467 1.00 0.00 C ATOM 298 ND1 HIS A 21 10.575 2.344 4.377 1.00 0.00 N ATOM 299 CD2 HIS A 21 11.876 4.092 3.813 1.00 0.00 C ATOM 300 CE1 HIS A 21 11.590 2.447 5.254 1.00 0.00 C ATOM 301 NE2 HIS A 21 12.383 3.486 4.942 1.00 0.00 N ATOM 0 H HIS A 21 7.188 4.418 2.476 1.00 0.00 H new ATOM 0 HA HIS A 21 9.808 5.765 2.739 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.177 2.862 2.140 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.541 3.640 1.363 1.00 0.00 H new ATOM 0 HD2 HIS A 21 12.285 4.951 3.302 1.00 0.00 H new ATOM 0 HE1 HIS A 21 11.746 1.786 6.093 1.00 0.00 H new ATOM 0 HE2 HIS A 21 13.217 3.776 5.453 1.00 0.00 H new ATOM 309 N GLY A 22 9.539 6.261 0.104 1.00 0.00 N ATOM 310 CA GLY A 22 9.138 6.582 -1.269 1.00 0.00 C ATOM 311 C GLY A 22 10.274 6.618 -2.275 1.00 0.00 C ATOM 312 O GLY A 22 10.293 7.485 -3.137 1.00 0.00 O ATOM 0 H GLY A 22 10.419 6.679 0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.403 5.847 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.641 7.552 -1.269 1.00 0.00 H new ATOM 316 N ARG A 23 11.229 5.687 -2.175 1.00 0.00 N ATOM 317 CA ARG A 23 12.365 5.565 -3.115 1.00 0.00 C ATOM 318 C ARG A 23 12.795 4.102 -3.327 1.00 0.00 C ATOM 319 O ARG A 23 13.956 3.802 -3.594 1.00 0.00 O ATOM 320 CB ARG A 23 13.449 6.557 -2.604 1.00 0.00 C ATOM 321 CG ARG A 23 14.907 6.499 -3.093 1.00 0.00 C ATOM 322 CD ARG A 23 15.085 6.525 -4.618 1.00 0.00 C ATOM 323 NE ARG A 23 16.491 6.296 -5.006 1.00 0.00 N ATOM 324 CZ ARG A 23 17.134 5.141 -5.064 1.00 0.00 C ATOM 325 NH1 ARG A 23 16.582 4.010 -4.720 1.00 0.00 N ATOM 326 NH2 ARG A 23 18.369 5.101 -5.475 1.00 0.00 N ATOM 0 H ARG A 23 11.241 4.986 -1.434 1.00 0.00 H new ATOM 0 HA ARG A 23 12.108 5.849 -4.135 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.084 7.560 -2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.478 6.458 -1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 23 15.451 7.341 -2.665 1.00 0.00 H new ATOM 0 HG3 ARG A 23 15.368 5.591 -2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.453 5.761 -5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.752 7.487 -5.007 1.00 0.00 H new ATOM 0 HE ARG A 23 17.029 7.125 -5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.617 3.993 -4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.116 3.143 -4.781 1.00 0.00 H new ATOM 0 HH21 ARG A 23 18.842 5.961 -5.753 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.863 4.210 -5.519 1.00 0.00 H new ATOM 340 N ILE A 24 11.839 3.178 -3.233 1.00 0.00 N ATOM 341 CA ILE A 24 12.071 1.725 -3.323 1.00 0.00 C ATOM 342 C ILE A 24 11.125 1.106 -4.366 1.00 0.00 C ATOM 343 O ILE A 24 10.113 0.486 -4.039 1.00 0.00 O ATOM 344 CB ILE A 24 12.065 1.114 -1.897 1.00 0.00 C ATOM 345 CG1 ILE A 24 12.545 -0.355 -1.885 1.00 0.00 C ATOM 346 CG2 ILE A 24 10.714 1.234 -1.172 1.00 0.00 C ATOM 347 CD1 ILE A 24 14.047 -0.518 -2.144 1.00 0.00 C ATOM 0 H ILE A 24 10.858 3.418 -3.089 1.00 0.00 H new ATOM 0 HA ILE A 24 13.061 1.483 -3.709 1.00 0.00 H new ATOM 0 HB ILE A 24 12.779 1.720 -1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.302 -0.799 -0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.993 -0.914 -2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.791 0.784 -0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.447 2.286 -1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.945 0.717 -1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 24 14.308 -1.576 -2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.294 -0.105 -3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 24 14.609 0.011 -1.374 1.00 0.00 H new ATOM 359 N SER A 25 11.467 1.324 -5.642 1.00 0.00 N ATOM 360 CA SER A 25 10.678 0.942 -6.829 1.00 0.00 C ATOM 361 C SER A 25 10.118 -0.486 -6.766 1.00 0.00 C ATOM 362 O SER A 25 10.747 -1.359 -6.171 1.00 0.00 O ATOM 363 CB SER A 25 11.514 1.164 -8.097 1.00 0.00 C ATOM 364 OG SER A 25 10.767 0.907 -9.271 1.00 0.00 O ATOM 0 H SER A 25 12.339 1.792 -5.891 1.00 0.00 H new ATOM 0 HA SER A 25 9.801 1.589 -6.853 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.879 2.191 -8.116 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.389 0.515 -8.074 1.00 0.00 H new ATOM 0 HG SER A 25 11.331 1.060 -10.058 1.00 0.00 H new ATOM 370 N ARG A 26 8.965 -0.759 -7.396 1.00 0.00 N ATOM 371 CA ARG A 26 8.259 -2.062 -7.309 1.00 0.00 C ATOM 372 C ARG A 26 9.105 -3.297 -7.623 1.00 0.00 C ATOM 373 O ARG A 26 8.905 -4.332 -6.995 1.00 0.00 O ATOM 374 CB ARG A 26 6.913 -2.048 -8.069 1.00 0.00 C ATOM 375 CG ARG A 26 6.920 -2.148 -9.611 1.00 0.00 C ATOM 376 CD ARG A 26 7.543 -0.890 -10.199 1.00 0.00 C ATOM 377 NE ARG A 26 7.212 -0.597 -11.601 1.00 0.00 N ATOM 378 CZ ARG A 26 7.654 0.471 -12.241 1.00 0.00 C ATOM 379 NH1 ARG A 26 8.355 1.403 -11.651 1.00 0.00 N ATOM 380 NH2 ARG A 26 7.375 0.614 -13.502 1.00 0.00 N ATOM 0 H ARG A 26 8.486 -0.080 -7.988 1.00 0.00 H new ATOM 0 HA ARG A 26 8.037 -2.173 -6.248 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.312 -2.874 -7.689 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.394 -1.127 -7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.483 -3.027 -9.926 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.903 -2.271 -9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.238 -0.039 -9.590 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.627 -0.971 -10.112 1.00 0.00 H new ATOM 0 HE ARG A 26 6.612 -1.250 -12.104 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.580 1.321 -10.659 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.677 2.212 -12.182 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.821 -0.093 -13.985 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.710 1.434 -14.009 1.00 0.00 H new ATOM 394 N GLU A 27 10.093 -3.181 -8.508 1.00 0.00 N ATOM 395 CA GLU A 27 11.040 -4.270 -8.809 1.00 0.00 C ATOM 396 C GLU A 27 12.011 -4.558 -7.644 1.00 0.00 C ATOM 397 O GLU A 27 12.409 -5.704 -7.429 1.00 0.00 O ATOM 398 CB GLU A 27 11.835 -3.943 -10.083 1.00 0.00 C ATOM 399 CG GLU A 27 10.943 -3.844 -11.329 1.00 0.00 C ATOM 400 CD GLU A 27 11.800 -3.701 -12.601 1.00 0.00 C ATOM 401 OE1 GLU A 27 12.152 -2.558 -12.982 1.00 0.00 O ATOM 402 OE2 GLU A 27 12.127 -4.735 -13.236 1.00 0.00 O ATOM 0 H GLU A 27 10.266 -2.329 -9.042 1.00 0.00 H new ATOM 0 HA GLU A 27 10.446 -5.171 -8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.364 -3.000 -9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.591 -4.712 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.316 -4.732 -11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.274 -2.988 -11.237 1.00 0.00 H new ATOM 409 N GLU A 28 12.393 -3.528 -6.882 1.00 0.00 N ATOM 410 CA GLU A 28 13.219 -3.635 -5.673 1.00 0.00 C ATOM 411 C GLU A 28 12.399 -4.032 -4.439 1.00 0.00 C ATOM 412 O GLU A 28 12.748 -4.988 -3.747 1.00 0.00 O ATOM 413 CB GLU A 28 13.988 -2.325 -5.427 1.00 0.00 C ATOM 414 CG GLU A 28 14.978 -1.967 -6.546 1.00 0.00 C ATOM 415 CD GLU A 28 16.034 -3.071 -6.734 1.00 0.00 C ATOM 416 OE1 GLU A 28 16.857 -3.297 -5.817 1.00 0.00 O ATOM 417 OE2 GLU A 28 16.022 -3.783 -7.765 1.00 0.00 O ATOM 0 H GLU A 28 12.128 -2.566 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 28 13.938 -4.436 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.273 -1.511 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.532 -2.405 -4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.436 -1.817 -7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.472 -1.025 -6.309 1.00 0.00 H new ATOM 424 N SER A 29 11.281 -3.348 -4.170 1.00 0.00 N ATOM 425 CA SER A 29 10.441 -3.619 -2.991 1.00 0.00 C ATOM 426 C SER A 29 9.773 -4.990 -3.052 1.00 0.00 C ATOM 427 O SER A 29 9.623 -5.619 -2.005 1.00 0.00 O ATOM 428 CB SER A 29 9.433 -2.495 -2.727 1.00 0.00 C ATOM 429 OG SER A 29 8.865 -1.999 -3.921 1.00 0.00 O ATOM 0 H SER A 29 10.931 -2.593 -4.760 1.00 0.00 H new ATOM 0 HA SER A 29 11.114 -3.643 -2.134 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.641 -2.865 -2.076 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.928 -1.682 -2.197 1.00 0.00 H new ATOM 0 HG SER A 29 9.216 -1.102 -4.103 1.00 0.00 H new ATOM 435 N GLN A 30 9.474 -5.550 -4.235 1.00 0.00 N ATOM 436 CA GLN A 30 8.936 -6.918 -4.309 1.00 0.00 C ATOM 437 C GLN A 30 9.942 -8.005 -3.876 1.00 0.00 C ATOM 438 O GLN A 30 9.535 -9.124 -3.572 1.00 0.00 O ATOM 439 CB GLN A 30 8.247 -7.197 -5.657 1.00 0.00 C ATOM 440 CG GLN A 30 9.151 -7.457 -6.868 1.00 0.00 C ATOM 441 CD GLN A 30 8.389 -7.425 -8.203 1.00 0.00 C ATOM 442 OE1 GLN A 30 8.976 -7.239 -9.261 1.00 0.00 O ATOM 443 NE2 GLN A 30 7.083 -7.638 -8.251 1.00 0.00 N ATOM 0 H GLN A 30 9.592 -5.088 -5.137 1.00 0.00 H new ATOM 0 HA GLN A 30 8.149 -6.978 -3.557 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.596 -8.062 -5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.606 -6.347 -5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.944 -6.709 -6.890 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.632 -8.428 -6.754 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.560 -7.797 -7.390 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.600 -7.643 -9.149 1.00 0.00 H new ATOM 452 N ARG A 31 11.239 -7.675 -3.772 1.00 0.00 N ATOM 453 CA ARG A 31 12.287 -8.575 -3.252 1.00 0.00 C ATOM 454 C ARG A 31 12.283 -8.609 -1.713 1.00 0.00 C ATOM 455 O ARG A 31 12.517 -9.659 -1.119 1.00 0.00 O ATOM 456 CB ARG A 31 13.644 -8.124 -3.823 1.00 0.00 C ATOM 457 CG ARG A 31 14.721 -9.218 -3.758 1.00 0.00 C ATOM 458 CD ARG A 31 16.103 -8.705 -4.195 1.00 0.00 C ATOM 459 NE ARG A 31 16.080 -8.128 -5.559 1.00 0.00 N ATOM 460 CZ ARG A 31 16.245 -6.861 -5.902 1.00 0.00 C ATOM 461 NH1 ARG A 31 16.516 -5.926 -5.041 1.00 0.00 N ATOM 462 NH2 ARG A 31 16.133 -6.485 -7.140 1.00 0.00 N ATOM 0 H ARG A 31 11.597 -6.762 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 31 12.091 -9.598 -3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 31 13.510 -7.816 -4.860 1.00 0.00 H new ATOM 0 HB3 ARG A 31 13.990 -7.249 -3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.784 -9.602 -2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.427 -10.052 -4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.448 -7.950 -3.489 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.820 -9.525 -4.161 1.00 0.00 H new ATOM 0 HE ARG A 31 15.918 -8.784 -6.323 1.00 0.00 H new ATOM 0 HH11 ARG A 31 16.610 -6.156 -4.052 1.00 0.00 H new ATOM 0 HH12 ARG A 31 16.634 -4.963 -5.355 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.915 -7.170 -7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.263 -5.504 -7.389 1.00 0.00 H new ATOM 476 N LEU A 32 11.963 -7.474 -1.076 1.00 0.00 N ATOM 477 CA LEU A 32 11.913 -7.302 0.387 1.00 0.00 C ATOM 478 C LEU A 32 10.545 -7.690 0.978 1.00 0.00 C ATOM 479 O LEU A 32 10.478 -8.370 2.000 1.00 0.00 O ATOM 480 CB LEU A 32 12.268 -5.844 0.756 1.00 0.00 C ATOM 481 CG LEU A 32 13.772 -5.503 0.780 1.00 0.00 C ATOM 482 CD1 LEU A 32 14.447 -5.572 -0.592 1.00 0.00 C ATOM 483 CD2 LEU A 32 13.950 -4.083 1.317 1.00 0.00 C ATOM 0 H LEU A 32 11.723 -6.620 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 32 12.648 -7.979 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.776 -5.180 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.850 -5.626 1.739 1.00 0.00 H new ATOM 0 HG LEU A 32 14.245 -6.253 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.502 -5.319 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.352 -6.581 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.968 -4.865 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.011 -3.832 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.424 -3.381 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.543 -4.022 2.326 1.00 0.00 H new ATOM 495 N ILE A 33 9.442 -7.296 0.331 1.00 0.00 N ATOM 496 CA ILE A 33 8.062 -7.624 0.754 1.00 0.00 C ATOM 497 C ILE A 33 7.668 -9.059 0.316 1.00 0.00 C ATOM 498 O ILE A 33 6.692 -9.630 0.804 1.00 0.00 O ATOM 499 CB ILE A 33 7.091 -6.494 0.295 1.00 0.00 C ATOM 500 CG1 ILE A 33 7.240 -5.181 1.114 1.00 0.00 C ATOM 501 CG2 ILE A 33 5.608 -6.892 0.424 1.00 0.00 C ATOM 502 CD1 ILE A 33 8.592 -4.453 1.052 1.00 0.00 C ATOM 0 H ILE A 33 9.477 -6.730 -0.517 1.00 0.00 H new ATOM 0 HA ILE A 33 7.992 -7.651 1.841 1.00 0.00 H new ATOM 0 HB ILE A 33 7.371 -6.335 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.469 -4.487 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.030 -5.411 2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.979 -6.066 0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.412 -7.770 -0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.382 -7.122 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.551 -3.556 1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.377 -5.112 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.808 -4.174 0.021 1.00 0.00 H new ATOM 514 N GLY A 34 8.477 -9.705 -0.536 1.00 0.00 N ATOM 515 CA GLY A 34 8.183 -11.018 -1.126 1.00 0.00 C ATOM 516 C GLY A 34 8.823 -12.223 -0.438 1.00 0.00 C ATOM 517 O GLY A 34 8.565 -13.353 -0.854 1.00 0.00 O ATOM 0 H GLY A 34 9.372 -9.321 -0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.102 -11.159 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.505 -11.006 -2.167 1.00 0.00 H new ATOM 521 N GLN A 35 9.620 -12.014 0.621 1.00 0.00 N ATOM 522 CA GLN A 35 10.182 -13.113 1.424 1.00 0.00 C ATOM 523 C GLN A 35 9.230 -13.537 2.566 1.00 0.00 C ATOM 524 O GLN A 35 9.546 -14.440 3.343 1.00 0.00 O ATOM 525 CB GLN A 35 11.631 -12.810 1.855 1.00 0.00 C ATOM 526 CG GLN A 35 11.790 -11.680 2.882 1.00 0.00 C ATOM 527 CD GLN A 35 13.262 -11.419 3.210 1.00 0.00 C ATOM 528 OE1 GLN A 35 13.879 -10.475 2.732 1.00 0.00 O ATOM 529 NE2 GLN A 35 13.885 -12.241 4.030 1.00 0.00 N ATOM 0 H GLN A 35 9.892 -11.086 0.944 1.00 0.00 H new ATOM 0 HA GLN A 35 10.258 -14.001 0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.066 -13.719 2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.210 -12.556 0.967 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.336 -10.768 2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.254 -11.939 3.795 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.385 -13.032 4.436 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.867 -12.086 4.258 1.00 0.00 H new ATOM 538 N GLN A 36 8.067 -12.875 2.674 1.00 0.00 N ATOM 539 CA GLN A 36 6.984 -13.187 3.599 1.00 0.00 C ATOM 540 C GLN A 36 6.022 -14.242 3.003 1.00 0.00 C ATOM 541 O GLN A 36 5.954 -14.414 1.782 1.00 0.00 O ATOM 542 CB GLN A 36 6.225 -11.912 4.018 1.00 0.00 C ATOM 543 CG GLN A 36 7.003 -10.965 4.948 1.00 0.00 C ATOM 544 CD GLN A 36 7.611 -9.778 4.208 1.00 0.00 C ATOM 545 OE1 GLN A 36 6.995 -8.734 4.035 1.00 0.00 O ATOM 546 NE2 GLN A 36 8.839 -9.911 3.759 1.00 0.00 N ATOM 0 H GLN A 36 7.853 -12.069 2.086 1.00 0.00 H new ATOM 0 HA GLN A 36 7.429 -13.618 4.496 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.944 -11.363 3.119 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.300 -12.205 4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.335 -10.598 5.727 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.797 -11.523 5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.345 -10.784 3.908 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.286 -9.141 3.262 1.00 0.00 H new ATOM 555 N GLY A 37 5.258 -14.934 3.860 1.00 0.00 N ATOM 556 CA GLY A 37 4.319 -16.002 3.465 1.00 0.00 C ATOM 557 C GLY A 37 2.983 -16.006 4.225 1.00 0.00 C ATOM 558 O GLY A 37 2.382 -17.070 4.397 1.00 0.00 O ATOM 0 H GLY A 37 5.273 -14.767 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.113 -15.908 2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.806 -16.966 3.612 1.00 0.00 H new ATOM 562 N LEU A 38 2.553 -14.849 4.744 1.00 0.00 N ATOM 563 CA LEU A 38 1.298 -14.690 5.504 1.00 0.00 C ATOM 564 C LEU A 38 0.073 -14.552 4.563 1.00 0.00 C ATOM 565 O LEU A 38 0.180 -14.773 3.352 1.00 0.00 O ATOM 566 CB LEU A 38 1.461 -13.488 6.464 1.00 0.00 C ATOM 567 CG LEU A 38 2.409 -13.627 7.677 1.00 0.00 C ATOM 568 CD1 LEU A 38 2.068 -14.837 8.547 1.00 0.00 C ATOM 569 CD2 LEU A 38 3.895 -13.689 7.316 1.00 0.00 C ATOM 0 H LEU A 38 3.075 -13.978 4.648 1.00 0.00 H new ATOM 0 HA LEU A 38 1.102 -15.585 6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.803 -12.638 5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.472 -13.234 6.845 1.00 0.00 H new ATOM 0 HG LEU A 38 2.242 -12.707 8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.763 -14.890 9.385 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.050 -14.738 8.925 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.147 -15.747 7.952 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.487 -13.786 8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.077 -14.549 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.181 -12.776 6.793 1.00 0.00 H new ATOM 581 N VAL A 39 -1.107 -14.211 5.114 1.00 0.00 N ATOM 582 CA VAL A 39 -2.326 -13.914 4.329 1.00 0.00 C ATOM 583 C VAL A 39 -2.048 -12.824 3.302 1.00 0.00 C ATOM 584 O VAL A 39 -1.185 -11.970 3.514 1.00 0.00 O ATOM 585 CB VAL A 39 -3.548 -13.565 5.206 1.00 0.00 C ATOM 586 CG1 VAL A 39 -3.988 -14.777 6.034 1.00 0.00 C ATOM 587 CG2 VAL A 39 -3.331 -12.373 6.146 1.00 0.00 C ATOM 0 H VAL A 39 -1.245 -14.133 6.122 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.592 -14.831 3.804 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.327 -13.276 4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.850 -14.507 6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.257 -15.595 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.170 -15.092 6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.238 -12.196 6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.505 -12.589 6.823 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.096 -11.485 5.559 1.00 0.00 H new ATOM 597 N ASP A 40 -2.839 -12.811 2.220 1.00 0.00 N ATOM 598 CA ASP A 40 -2.655 -11.915 1.064 1.00 0.00 C ATOM 599 C ASP A 40 -2.612 -10.411 1.354 1.00 0.00 C ATOM 600 O ASP A 40 -2.265 -9.579 0.515 1.00 0.00 O ATOM 601 CB ASP A 40 -3.740 -12.165 0.016 1.00 0.00 C ATOM 602 CG ASP A 40 -3.904 -13.651 -0.291 1.00 0.00 C ATOM 603 OD1 ASP A 40 -2.916 -14.262 -0.745 1.00 0.00 O ATOM 604 OD2 ASP A 40 -4.996 -14.196 -0.012 1.00 0.00 O ATOM 0 H ASP A 40 -3.640 -13.434 2.119 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.658 -12.175 0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.688 -11.761 0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.489 -11.631 -0.900 1.00 0.00 H new ATOM 609 N GLY A 41 -2.964 -10.106 2.589 1.00 0.00 N ATOM 610 CA GLY A 41 -3.142 -8.790 3.170 1.00 0.00 C ATOM 611 C GLY A 41 -1.976 -8.245 3.986 1.00 0.00 C ATOM 612 O GLY A 41 -2.170 -7.194 4.580 1.00 0.00 O ATOM 0 H GLY A 41 -3.149 -10.841 3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.353 -8.087 2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.024 -8.816 3.810 1.00 0.00 H new ATOM 616 N LEU A 42 -0.760 -8.807 3.957 1.00 0.00 N ATOM 617 CA LEU A 42 0.346 -8.293 4.793 1.00 0.00 C ATOM 618 C LEU A 42 1.104 -7.302 3.917 1.00 0.00 C ATOM 619 O LEU A 42 2.158 -7.567 3.348 1.00 0.00 O ATOM 620 CB LEU A 42 1.247 -9.429 5.340 1.00 0.00 C ATOM 621 CG LEU A 42 0.952 -9.870 6.783 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.233 -8.767 7.805 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.480 -10.367 6.934 1.00 0.00 C ATOM 0 H LEU A 42 -0.514 -9.607 3.374 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.031 -7.802 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.147 -10.295 4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.286 -9.105 5.283 1.00 0.00 H new ATOM 0 HG LEU A 42 1.635 -10.694 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.007 -9.133 8.807 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.283 -8.480 7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.609 -7.901 7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.653 -10.670 7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.172 -9.568 6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.641 -11.219 6.274 1.00 0.00 H new ATOM 635 N PHE A 43 0.509 -6.118 3.830 1.00 0.00 N ATOM 636 CA PHE A 43 0.944 -5.052 2.946 1.00 0.00 C ATOM 637 C PHE A 43 1.799 -3.941 3.582 1.00 0.00 C ATOM 638 O PHE A 43 1.953 -3.851 4.805 1.00 0.00 O ATOM 639 CB PHE A 43 -0.334 -4.490 2.308 1.00 0.00 C ATOM 640 CG PHE A 43 -0.991 -3.342 3.060 1.00 0.00 C ATOM 641 CD1 PHE A 43 -1.701 -3.616 4.239 1.00 0.00 C ATOM 642 CD2 PHE A 43 -0.892 -2.009 2.619 1.00 0.00 C ATOM 643 CE1 PHE A 43 -2.335 -2.591 4.961 1.00 0.00 C ATOM 644 CE2 PHE A 43 -1.565 -0.988 3.312 1.00 0.00 C ATOM 645 CZ PHE A 43 -2.287 -1.275 4.482 1.00 0.00 C ATOM 0 H PHE A 43 -0.309 -5.870 4.387 1.00 0.00 H new ATOM 0 HA PHE A 43 1.636 -5.476 2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.097 -4.152 1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.057 -5.300 2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.761 -4.633 4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.299 -1.771 1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.856 -2.816 5.880 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.527 0.026 2.942 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.802 -0.486 5.010 1.00 0.00 H new ATOM 655 N LEU A 44 2.342 -3.088 2.707 1.00 0.00 N ATOM 656 CA LEU A 44 3.104 -1.869 3.022 1.00 0.00 C ATOM 657 C LEU A 44 2.611 -0.705 2.143 1.00 0.00 C ATOM 658 O LEU A 44 2.119 -0.926 1.030 1.00 0.00 O ATOM 659 CB LEU A 44 4.621 -2.117 2.812 1.00 0.00 C ATOM 660 CG LEU A 44 5.594 -1.040 3.360 1.00 0.00 C ATOM 661 CD1 LEU A 44 5.550 -0.999 4.887 1.00 0.00 C ATOM 662 CD2 LEU A 44 7.022 -1.382 2.939 1.00 0.00 C ATOM 0 H LEU A 44 2.258 -3.236 1.701 1.00 0.00 H new ATOM 0 HA LEU A 44 2.945 -1.605 4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.876 -3.070 3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.802 -2.224 1.742 1.00 0.00 H new ATOM 0 HG LEU A 44 5.291 -0.073 2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.240 -0.237 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.539 -0.760 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.840 -1.971 5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.706 -0.625 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.296 -2.357 3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.084 -1.408 1.851 1.00 0.00 H new ATOM 674 N VAL A 45 2.763 0.527 2.632 1.00 0.00 N ATOM 675 CA VAL A 45 2.466 1.764 1.891 1.00 0.00 C ATOM 676 C VAL A 45 3.793 2.458 1.621 1.00 0.00 C ATOM 677 O VAL A 45 4.401 3.032 2.522 1.00 0.00 O ATOM 678 CB VAL A 45 1.507 2.697 2.649 1.00 0.00 C ATOM 679 CG1 VAL A 45 1.183 3.938 1.806 1.00 0.00 C ATOM 680 CG2 VAL A 45 0.200 1.988 2.987 1.00 0.00 C ATOM 0 H VAL A 45 3.104 0.701 3.577 1.00 0.00 H new ATOM 0 HA VAL A 45 1.955 1.511 0.962 1.00 0.00 H new ATOM 0 HB VAL A 45 2.007 2.993 3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.503 4.586 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.103 4.480 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.712 3.631 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.457 2.673 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.286 1.663 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.408 1.121 3.613 1.00 0.00 H new ATOM 690 N ARG A 46 4.284 2.342 0.390 1.00 0.00 N ATOM 691 CA ARG A 46 5.548 2.938 -0.070 1.00 0.00 C ATOM 692 C ARG A 46 5.374 3.447 -1.487 1.00 0.00 C ATOM 693 O ARG A 46 4.405 3.114 -2.156 1.00 0.00 O ATOM 694 CB ARG A 46 6.713 1.937 0.166 1.00 0.00 C ATOM 695 CG ARG A 46 7.247 1.137 -1.036 1.00 0.00 C ATOM 696 CD ARG A 46 6.179 0.318 -1.769 1.00 0.00 C ATOM 697 NE ARG A 46 6.501 -0.067 -3.165 1.00 0.00 N ATOM 698 CZ ARG A 46 6.833 0.655 -4.225 1.00 0.00 C ATOM 699 NH1 ARG A 46 7.391 1.820 -4.210 1.00 0.00 N ATOM 700 NH2 ARG A 46 6.572 0.193 -5.404 1.00 0.00 N ATOM 0 H ARG A 46 3.804 1.817 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 46 5.825 3.818 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.548 2.494 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.388 1.222 0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.708 1.828 -1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.032 0.464 -0.691 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.989 -0.590 -1.197 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.251 0.890 -1.775 1.00 0.00 H new ATOM 0 HE ARG A 46 6.459 -1.071 -3.341 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.616 2.266 -3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.606 2.294 -5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.117 -0.714 -5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.821 0.736 -6.231 1.00 0.00 H new ATOM 714 N GLU A 47 6.277 4.291 -1.950 1.00 0.00 N ATOM 715 CA GLU A 47 6.252 4.741 -3.336 1.00 0.00 C ATOM 716 C GLU A 47 7.646 4.904 -3.929 1.00 0.00 C ATOM 717 O GLU A 47 8.642 4.359 -3.445 1.00 0.00 O ATOM 718 CB GLU A 47 5.308 5.970 -3.447 1.00 0.00 C ATOM 719 CG GLU A 47 5.703 7.220 -2.632 1.00 0.00 C ATOM 720 CD GLU A 47 5.346 7.149 -1.144 1.00 0.00 C ATOM 721 OE1 GLU A 47 4.454 6.461 -0.656 1.00 0.00 O ATOM 722 OE2 GLU A 47 6.104 7.938 -0.350 1.00 0.00 O ATOM 0 H GLU A 47 7.037 4.680 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 47 5.827 3.969 -3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.241 6.255 -4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.310 5.662 -3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.778 7.375 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.215 8.091 -3.068 1.00 0.00 H new ATOM 730 N SER A 48 7.660 5.694 -4.976 1.00 0.00 N ATOM 731 CA SER A 48 8.752 6.194 -5.756 1.00 0.00 C ATOM 732 C SER A 48 8.719 7.716 -5.692 1.00 0.00 C ATOM 733 O SER A 48 7.665 8.352 -5.616 1.00 0.00 O ATOM 734 CB SER A 48 8.533 5.798 -7.223 1.00 0.00 C ATOM 735 OG SER A 48 7.167 5.835 -7.579 1.00 0.00 O ATOM 0 H SER A 48 6.777 6.046 -5.346 1.00 0.00 H new ATOM 0 HA SER A 48 9.695 5.796 -5.381 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.095 6.472 -7.869 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.925 4.795 -7.391 1.00 0.00 H new ATOM 0 HG SER A 48 6.993 5.172 -8.279 1.00 0.00 H new ATOM 741 N GLN A 49 9.908 8.294 -5.812 1.00 0.00 N ATOM 742 CA GLN A 49 10.094 9.737 -5.933 1.00 0.00 C ATOM 743 C GLN A 49 10.260 10.050 -7.459 1.00 0.00 C ATOM 744 O GLN A 49 10.484 11.194 -7.864 1.00 0.00 O ATOM 745 CB GLN A 49 11.194 10.183 -4.935 1.00 0.00 C ATOM 746 CG GLN A 49 12.587 9.536 -5.075 1.00 0.00 C ATOM 747 CD GLN A 49 13.063 9.347 -6.508 1.00 0.00 C ATOM 748 OE1 GLN A 49 13.477 10.271 -7.193 1.00 0.00 O ATOM 749 NE2 GLN A 49 12.954 8.139 -7.034 1.00 0.00 N ATOM 0 H GLN A 49 10.782 7.768 -5.828 1.00 0.00 H new ATOM 0 HA GLN A 49 9.248 10.353 -5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.314 11.263 -5.027 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.832 9.987 -3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.313 10.152 -4.544 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.572 8.564 -4.581 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.609 7.365 -6.466 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.215 7.981 -8.007 1.00 0.00 H new ATOM 758 N ARG A 50 10.075 8.993 -8.289 1.00 0.00 N ATOM 759 CA ARG A 50 10.123 8.887 -9.760 1.00 0.00 C ATOM 760 C ARG A 50 8.736 8.917 -10.430 1.00 0.00 C ATOM 761 O ARG A 50 8.506 9.876 -11.167 1.00 0.00 O ATOM 762 CB ARG A 50 10.932 7.631 -10.151 1.00 0.00 C ATOM 763 CG ARG A 50 11.114 7.409 -11.663 1.00 0.00 C ATOM 764 CD ARG A 50 11.911 8.537 -12.333 1.00 0.00 C ATOM 765 NE ARG A 50 12.167 8.240 -13.756 1.00 0.00 N ATOM 766 CZ ARG A 50 12.838 8.992 -14.612 1.00 0.00 C ATOM 767 NH1 ARG A 50 13.365 10.135 -14.265 1.00 0.00 N ATOM 768 NH2 ARG A 50 12.994 8.608 -15.846 1.00 0.00 N ATOM 0 H ARG A 50 9.862 8.081 -7.885 1.00 0.00 H new ATOM 0 HA ARG A 50 10.626 9.776 -10.140 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.917 7.695 -9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.439 6.755 -9.729 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.625 6.460 -11.828 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.135 7.331 -12.136 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.361 9.474 -12.248 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.858 8.675 -11.812 1.00 0.00 H new ATOM 0 HE ARG A 50 11.787 7.365 -14.116 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.265 10.473 -13.308 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.877 10.690 -14.951 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.597 7.722 -16.158 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.513 9.193 -16.501 1.00 0.00 H new ATOM 782 N ASN A 51 7.811 7.949 -10.230 1.00 0.00 N ATOM 783 CA ASN A 51 6.477 8.066 -10.845 1.00 0.00 C ATOM 784 C ASN A 51 5.757 9.367 -10.397 1.00 0.00 C ATOM 785 O ASN A 51 5.580 9.567 -9.191 1.00 0.00 O ATOM 786 CB ASN A 51 5.605 6.837 -10.577 1.00 0.00 C ATOM 787 CG ASN A 51 5.898 5.797 -11.633 1.00 0.00 C ATOM 788 OD1 ASN A 51 5.420 5.863 -12.758 1.00 0.00 O ATOM 789 ND2 ASN A 51 6.806 4.902 -11.363 1.00 0.00 N ATOM 0 H ASN A 51 7.958 7.110 -9.669 1.00 0.00 H new ATOM 0 HA ASN A 51 6.634 8.121 -11.922 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.811 6.436 -9.584 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.550 7.110 -10.598 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.118 4.257 -12.089 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.205 4.847 -10.426 1.00 0.00 H new ATOM 796 N PRO A 52 5.315 10.251 -11.317 1.00 0.00 N ATOM 797 CA PRO A 52 4.812 11.591 -10.974 1.00 0.00 C ATOM 798 C PRO A 52 3.469 11.579 -10.220 1.00 0.00 C ATOM 799 O PRO A 52 3.132 12.535 -9.518 1.00 0.00 O ATOM 800 CB PRO A 52 4.705 12.328 -12.314 1.00 0.00 C ATOM 801 CG PRO A 52 4.486 11.205 -13.328 1.00 0.00 C ATOM 802 CD PRO A 52 5.343 10.076 -12.762 1.00 0.00 C ATOM 0 HA PRO A 52 5.489 12.085 -10.277 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.877 13.037 -12.316 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.610 12.895 -12.533 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.436 10.921 -13.398 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.806 11.494 -14.329 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.946 9.102 -13.047 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.363 10.129 -13.144 1.00 0.00 H new ATOM 810 N GLN A 53 2.719 10.481 -10.341 1.00 0.00 N ATOM 811 CA GLN A 53 1.448 10.186 -9.681 1.00 0.00 C ATOM 812 C GLN A 53 1.580 9.052 -8.643 1.00 0.00 C ATOM 813 O GLN A 53 0.555 8.501 -8.235 1.00 0.00 O ATOM 814 CB GLN A 53 0.361 9.970 -10.753 1.00 0.00 C ATOM 815 CG GLN A 53 0.182 8.585 -11.401 1.00 0.00 C ATOM 816 CD GLN A 53 1.337 8.033 -12.235 1.00 0.00 C ATOM 817 OE1 GLN A 53 2.514 8.283 -12.013 1.00 0.00 O ATOM 818 NE2 GLN A 53 1.033 7.232 -13.234 1.00 0.00 N ATOM 0 H GLN A 53 3.009 9.717 -10.951 1.00 0.00 H new ATOM 0 HA GLN A 53 1.132 11.039 -9.081 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.594 10.244 -10.305 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.552 10.681 -11.556 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.030 7.869 -10.607 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.702 8.625 -12.038 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.057 7.013 -13.433 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.773 6.830 -13.809 1.00 0.00 H new ATOM 827 N GLY A 54 2.786 8.749 -8.113 1.00 0.00 N ATOM 828 CA GLY A 54 2.927 7.583 -7.250 1.00 0.00 C ATOM 829 C GLY A 54 2.863 7.724 -5.737 1.00 0.00 C ATOM 830 O GLY A 54 3.612 8.433 -5.070 1.00 0.00 O ATOM 0 H GLY A 54 3.642 9.282 -8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.151 6.874 -7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.885 7.121 -7.489 1.00 0.00 H new ATOM 834 N PHE A 55 1.905 6.939 -5.274 1.00 0.00 N ATOM 835 CA PHE A 55 1.485 6.580 -3.920 1.00 0.00 C ATOM 836 C PHE A 55 1.082 5.101 -4.074 1.00 0.00 C ATOM 837 O PHE A 55 0.042 4.861 -4.687 1.00 0.00 O ATOM 838 CB PHE A 55 0.315 7.481 -3.468 1.00 0.00 C ATOM 839 CG PHE A 55 0.583 8.973 -3.583 1.00 0.00 C ATOM 840 CD1 PHE A 55 1.212 9.667 -2.532 1.00 0.00 C ATOM 841 CD2 PHE A 55 0.227 9.661 -4.760 1.00 0.00 C ATOM 842 CE1 PHE A 55 1.485 11.043 -2.660 1.00 0.00 C ATOM 843 CE2 PHE A 55 0.513 11.031 -4.894 1.00 0.00 C ATOM 844 CZ PHE A 55 1.139 11.724 -3.842 1.00 0.00 C ATOM 0 H PHE A 55 1.306 6.461 -5.947 1.00 0.00 H new ATOM 0 HA PHE A 55 2.249 6.717 -3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.565 7.237 -4.063 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.074 7.248 -2.431 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.485 9.144 -1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.268 9.134 -5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.960 11.576 -1.850 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.252 11.551 -5.804 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.354 12.778 -3.941 1.00 0.00 H new ATOM 854 N VAL A 56 1.877 4.110 -3.634 1.00 0.00 N ATOM 855 CA VAL A 56 1.566 2.682 -3.895 1.00 0.00 C ATOM 856 C VAL A 56 1.162 1.892 -2.651 1.00 0.00 C ATOM 857 O VAL A 56 1.736 2.010 -1.567 1.00 0.00 O ATOM 858 CB VAL A 56 2.596 1.914 -4.800 1.00 0.00 C ATOM 859 CG1 VAL A 56 3.783 2.755 -5.299 1.00 0.00 C ATOM 860 CG2 VAL A 56 3.221 0.698 -4.106 1.00 0.00 C ATOM 0 H VAL A 56 2.733 4.263 -3.101 1.00 0.00 H new ATOM 0 HA VAL A 56 0.670 2.747 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 56 1.969 1.624 -5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.435 2.135 -5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.413 3.591 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.344 3.136 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.922 0.212 -4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.749 1.022 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.436 -0.007 -3.830 1.00 0.00 H new ATOM 870 N LEU A 57 0.151 1.048 -2.848 1.00 0.00 N ATOM 871 CA LEU A 57 -0.324 0.068 -1.878 1.00 0.00 C ATOM 872 C LEU A 57 0.355 -1.217 -2.383 1.00 0.00 C ATOM 873 O LEU A 57 0.285 -1.498 -3.579 1.00 0.00 O ATOM 874 CB LEU A 57 -1.866 0.044 -1.859 1.00 0.00 C ATOM 875 CG LEU A 57 -2.480 -0.598 -0.602 1.00 0.00 C ATOM 876 CD1 LEU A 57 -4.004 -0.500 -0.669 1.00 0.00 C ATOM 877 CD2 LEU A 57 -2.112 -2.075 -0.472 1.00 0.00 C ATOM 0 H LEU A 57 -0.378 1.029 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.076 0.258 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.234 1.067 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.219 -0.497 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.084 -0.059 0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.437 -0.955 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.299 0.548 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.364 -1.023 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.567 -2.485 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.477 -2.619 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.028 -2.176 -0.409 1.00 0.00 H new ATOM 889 N SER A 58 1.068 -1.965 -1.542 1.00 0.00 N ATOM 890 CA SER A 58 1.849 -3.132 -1.984 1.00 0.00 C ATOM 891 C SER A 58 1.458 -4.335 -1.145 1.00 0.00 C ATOM 892 O SER A 58 1.772 -4.369 0.039 1.00 0.00 O ATOM 893 CB SER A 58 3.344 -2.796 -1.937 1.00 0.00 C ATOM 894 OG SER A 58 3.740 -2.289 -0.678 1.00 0.00 O ATOM 0 H SER A 58 1.124 -1.785 -0.540 1.00 0.00 H new ATOM 0 HA SER A 58 1.630 -3.389 -3.020 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.923 -3.691 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.574 -2.063 -2.710 1.00 0.00 H new ATOM 0 HG SER A 58 2.962 -1.908 -0.220 1.00 0.00 H new ATOM 900 N LEU A 59 0.834 -5.338 -1.767 1.00 0.00 N ATOM 901 CA LEU A 59 0.257 -6.502 -1.083 1.00 0.00 C ATOM 902 C LEU A 59 1.205 -7.696 -1.069 1.00 0.00 C ATOM 903 O LEU A 59 2.018 -7.853 -1.974 1.00 0.00 O ATOM 904 CB LEU A 59 -1.049 -6.898 -1.809 1.00 0.00 C ATOM 905 CG LEU A 59 -2.151 -5.826 -1.847 1.00 0.00 C ATOM 906 CD1 LEU A 59 -3.389 -6.378 -2.536 1.00 0.00 C ATOM 907 CD2 LEU A 59 -2.595 -5.419 -0.453 1.00 0.00 C ATOM 0 H LEU A 59 0.712 -5.366 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 59 0.067 -6.226 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.802 -7.173 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.453 -7.789 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.730 -4.971 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.165 -5.612 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.138 -6.671 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.753 -7.247 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.374 -4.660 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.985 -6.290 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.745 -5.014 0.096 1.00 0.00 H new ATOM 919 N CYS A 60 1.057 -8.568 -0.067 1.00 0.00 N ATOM 920 CA CYS A 60 1.951 -9.729 0.104 1.00 0.00 C ATOM 921 C CYS A 60 1.072 -10.936 -0.138 1.00 0.00 C ATOM 922 O CYS A 60 0.594 -11.581 0.798 1.00 0.00 O ATOM 923 CB CYS A 60 2.660 -9.782 1.461 1.00 0.00 C ATOM 924 SG CYS A 60 3.829 -11.167 1.430 1.00 0.00 S ATOM 0 H CYS A 60 0.327 -8.496 0.642 1.00 0.00 H new ATOM 0 HA CYS A 60 2.784 -9.677 -0.597 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.184 -8.846 1.654 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.935 -9.913 2.265 1.00 0.00 H new ATOM 0 HG CYS A 60 5.025 -10.720 1.188 1.00 0.00 H new ATOM 930 N HIS A 61 0.778 -11.167 -1.416 1.00 0.00 N ATOM 931 CA HIS A 61 -0.166 -12.199 -1.788 1.00 0.00 C ATOM 932 C HIS A 61 0.461 -13.605 -1.846 1.00 0.00 C ATOM 933 O HIS A 61 1.628 -13.805 -1.495 1.00 0.00 O ATOM 934 CB HIS A 61 -0.979 -11.661 -2.967 1.00 0.00 C ATOM 935 CG HIS A 61 -1.428 -12.570 -4.083 1.00 0.00 C ATOM 936 ND1 HIS A 61 -2.507 -13.448 -4.024 1.00 0.00 N ATOM 937 CD2 HIS A 61 -0.914 -12.590 -5.347 1.00 0.00 C ATOM 938 CE1 HIS A 61 -2.625 -13.982 -5.249 1.00 0.00 C ATOM 939 NE2 HIS A 61 -1.674 -13.492 -6.063 1.00 0.00 N ATOM 0 H HIS A 61 1.180 -10.654 -2.200 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.905 -12.412 -1.016 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.875 -11.199 -2.552 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.391 -10.864 -3.422 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.078 -12.014 -5.714 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -3.376 -14.702 -5.539 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.538 -13.744 -7.042 1.00 0.00 H new ATOM 947 N LEU A 62 -0.308 -14.573 -2.332 1.00 0.00 N ATOM 948 CA LEU A 62 0.038 -16.021 -2.360 1.00 0.00 C ATOM 949 C LEU A 62 0.583 -16.635 -3.613 1.00 0.00 C ATOM 950 O LEU A 62 0.582 -17.854 -3.801 1.00 0.00 O ATOM 951 CB LEU A 62 -0.906 -16.889 -1.493 1.00 0.00 C ATOM 952 CG LEU A 62 -2.064 -17.625 -2.207 1.00 0.00 C ATOM 953 CD1 LEU A 62 -3.057 -18.156 -1.171 1.00 0.00 C ATOM 954 CD2 LEU A 62 -2.841 -16.789 -3.224 1.00 0.00 C ATOM 0 H LEU A 62 -1.225 -14.382 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 62 0.998 -16.025 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.299 -17.636 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.339 -16.249 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.580 -18.425 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.871 -18.674 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.548 -18.849 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.460 -17.324 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.630 -17.396 -3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.284 -15.927 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.164 -16.446 -4.006 1.00 0.00 H new ATOM 966 N GLN A 63 1.134 -15.744 -4.423 1.00 0.00 N ATOM 967 CA GLN A 63 1.885 -16.164 -5.578 1.00 0.00 C ATOM 968 C GLN A 63 2.981 -15.172 -5.928 1.00 0.00 C ATOM 969 O GLN A 63 4.090 -15.559 -6.297 1.00 0.00 O ATOM 970 CB GLN A 63 1.023 -16.431 -6.827 1.00 0.00 C ATOM 971 CG GLN A 63 -0.007 -17.568 -6.799 1.00 0.00 C ATOM 972 CD GLN A 63 -0.725 -17.711 -8.146 1.00 0.00 C ATOM 973 OE1 GLN A 63 -0.553 -16.926 -9.074 1.00 0.00 O ATOM 974 NE2 GLN A 63 -1.564 -18.713 -8.307 1.00 0.00 N ATOM 0 H GLN A 63 1.072 -14.734 -4.297 1.00 0.00 H new ATOM 0 HA GLN A 63 2.328 -17.115 -5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.488 -15.510 -7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.701 -16.624 -7.658 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.491 -18.505 -6.550 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.739 -17.378 -6.014 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.719 -19.375 -7.547 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.058 -18.827 -9.192 1.00 0.00 H new ATOM 983 N LYS A 64 2.649 -13.887 -5.793 1.00 0.00 N ATOM 984 CA LYS A 64 3.581 -12.783 -5.962 1.00 0.00 C ATOM 985 C LYS A 64 3.199 -11.614 -5.050 1.00 0.00 C ATOM 986 O LYS A 64 2.147 -11.646 -4.414 1.00 0.00 O ATOM 987 CB LYS A 64 3.652 -12.367 -7.449 1.00 0.00 C ATOM 988 CG LYS A 64 2.333 -11.816 -8.037 1.00 0.00 C ATOM 989 CD LYS A 64 1.350 -12.856 -8.624 1.00 0.00 C ATOM 990 CE LYS A 64 1.977 -13.771 -9.698 1.00 0.00 C ATOM 991 NZ LYS A 64 0.970 -14.644 -10.377 1.00 0.00 N ATOM 0 H LYS A 64 1.704 -13.584 -5.558 1.00 0.00 H new ATOM 0 HA LYS A 64 4.579 -13.107 -5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.427 -11.609 -7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.962 -13.230 -8.038 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.816 -11.262 -7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.582 -11.101 -8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.964 -13.475 -7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.499 -12.332 -9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.479 -13.156 -10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.740 -14.397 -9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.419 -15.136 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.605 -15.344 -9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.184 -14.060 -10.728 1.00 0.00 H new ATOM 1005 N VAL A 65 4.013 -10.563 -5.034 1.00 0.00 N ATOM 1006 CA VAL A 65 3.723 -9.315 -4.303 1.00 0.00 C ATOM 1007 C VAL A 65 3.635 -8.167 -5.322 1.00 0.00 C ATOM 1008 O VAL A 65 4.615 -7.844 -5.999 1.00 0.00 O ATOM 1009 CB VAL A 65 4.674 -9.126 -3.099 1.00 0.00 C ATOM 1010 CG1 VAL A 65 4.708 -10.404 -2.248 1.00 0.00 C ATOM 1011 CG2 VAL A 65 6.111 -8.778 -3.447 1.00 0.00 C ATOM 0 H VAL A 65 4.904 -10.545 -5.530 1.00 0.00 H new ATOM 0 HA VAL A 65 2.750 -9.345 -3.813 1.00 0.00 H new ATOM 0 HB VAL A 65 4.258 -8.272 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.381 -10.260 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.705 -10.623 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.062 -11.237 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.691 -8.668 -2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.541 -9.574 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.134 -7.842 -4.005 1.00 0.00 H new ATOM 1021 N LYS A 66 2.424 -7.611 -5.490 1.00 0.00 N ATOM 1022 CA LYS A 66 2.072 -6.580 -6.494 1.00 0.00 C ATOM 1023 C LYS A 66 1.772 -5.213 -5.865 1.00 0.00 C ATOM 1024 O LYS A 66 1.423 -5.133 -4.688 1.00 0.00 O ATOM 1025 CB LYS A 66 0.989 -7.121 -7.452 1.00 0.00 C ATOM 1026 CG LYS A 66 -0.359 -7.450 -6.785 1.00 0.00 C ATOM 1027 CD LYS A 66 -1.384 -8.026 -7.784 1.00 0.00 C ATOM 1028 CE LYS A 66 -1.053 -9.468 -8.217 1.00 0.00 C ATOM 1029 NZ LYS A 66 -2.096 -10.022 -9.139 1.00 0.00 N ATOM 0 H LYS A 66 1.628 -7.875 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 66 2.945 -6.374 -7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.819 -6.385 -8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.368 -8.021 -7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.198 -8.167 -5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.766 -6.547 -6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.376 -8.006 -7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.423 -7.387 -8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.082 -9.486 -8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.972 -10.103 -7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.840 -10.993 -9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.018 -10.028 -8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.155 -9.430 -9.992 1.00 0.00 H new ATOM 1043 N HIS A 67 1.891 -4.146 -6.663 1.00 0.00 N ATOM 1044 CA HIS A 67 1.789 -2.740 -6.232 1.00 0.00 C ATOM 1045 C HIS A 67 0.668 -1.935 -6.929 1.00 0.00 C ATOM 1046 O HIS A 67 0.212 -2.320 -7.993 1.00 0.00 O ATOM 1047 CB HIS A 67 3.181 -2.117 -6.417 1.00 0.00 C ATOM 1048 CG HIS A 67 4.317 -2.819 -5.706 1.00 0.00 C ATOM 1049 ND1 HIS A 67 5.061 -2.296 -4.646 1.00 0.00 N ATOM 1050 CD2 HIS A 67 4.834 -4.040 -6.029 1.00 0.00 C ATOM 1051 CE1 HIS A 67 5.964 -3.239 -4.322 1.00 0.00 C ATOM 1052 NE2 HIS A 67 5.858 -4.287 -5.147 1.00 0.00 N ATOM 0 H HIS A 67 2.067 -4.237 -7.663 1.00 0.00 H new ATOM 0 HA HIS A 67 1.486 -2.707 -5.186 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.407 -2.089 -7.483 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.145 -1.084 -6.072 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.502 -4.689 -6.826 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.673 -3.161 -3.511 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.438 -5.126 -5.125 1.00 0.00 H new ATOM 1060 N TYR A 68 0.221 -0.808 -6.352 1.00 0.00 N ATOM 1061 CA TYR A 68 -0.935 -0.001 -6.822 1.00 0.00 C ATOM 1062 C TYR A 68 -0.675 1.536 -6.950 1.00 0.00 C ATOM 1063 O TYR A 68 -0.967 2.246 -5.996 1.00 0.00 O ATOM 1064 CB TYR A 68 -2.066 -0.201 -5.775 1.00 0.00 C ATOM 1065 CG TYR A 68 -2.830 -1.515 -5.651 1.00 0.00 C ATOM 1066 CD1 TYR A 68 -2.188 -2.742 -5.384 1.00 0.00 C ATOM 1067 CD2 TYR A 68 -4.239 -1.467 -5.636 1.00 0.00 C ATOM 1068 CE1 TYR A 68 -2.942 -3.914 -5.172 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -4.996 -2.621 -5.372 1.00 0.00 C ATOM 1070 CZ TYR A 68 -4.351 -3.857 -5.161 1.00 0.00 C ATOM 1071 OH TYR A 68 -5.082 -4.984 -4.948 1.00 0.00 O ATOM 0 H TYR A 68 0.662 -0.415 -5.520 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.175 -0.345 -7.828 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.629 0.002 -4.797 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.807 0.577 -5.960 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.110 -2.784 -5.342 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.743 -0.532 -5.830 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.440 -4.857 -5.018 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.074 -2.561 -5.331 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.037 -4.764 -4.972 1.00 0.00 H new ATOM 1081 N LEU A 69 -0.166 2.099 -8.069 1.00 0.00 N ATOM 1082 CA LEU A 69 0.177 3.565 -8.156 1.00 0.00 C ATOM 1083 C LEU A 69 -0.105 4.365 -9.434 1.00 0.00 C ATOM 1084 O LEU A 69 0.338 5.512 -9.502 1.00 0.00 O ATOM 1085 CB LEU A 69 1.686 3.756 -7.874 1.00 0.00 C ATOM 1086 CG LEU A 69 2.784 3.755 -8.985 1.00 0.00 C ATOM 1087 CD1 LEU A 69 2.586 4.022 -10.489 1.00 0.00 C ATOM 1088 CD2 LEU A 69 3.934 4.658 -8.591 1.00 0.00 C ATOM 0 H LEU A 69 0.021 1.578 -8.926 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.521 3.969 -7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.781 4.708 -7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.966 2.975 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 69 2.886 2.670 -8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.546 3.949 -11.001 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.898 3.285 -10.902 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.174 5.021 -10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.691 4.647 -9.375 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.568 5.676 -8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.373 4.303 -7.658 1.00 0.00 H new ATOM 1100 N ILE A 70 -1.027 3.992 -10.315 1.00 0.00 N ATOM 1101 CA ILE A 70 -1.051 4.667 -11.632 1.00 0.00 C ATOM 1102 C ILE A 70 -1.945 5.895 -11.794 1.00 0.00 C ATOM 1103 O ILE A 70 -1.824 6.558 -12.822 1.00 0.00 O ATOM 1104 CB ILE A 70 -1.348 3.588 -12.722 1.00 0.00 C ATOM 1105 CG1 ILE A 70 -0.590 2.252 -12.478 1.00 0.00 C ATOM 1106 CG2 ILE A 70 -0.974 4.081 -14.137 1.00 0.00 C ATOM 1107 CD1 ILE A 70 -1.153 1.032 -13.172 1.00 0.00 C ATOM 0 H ILE A 70 -1.734 3.271 -10.168 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.063 5.113 -11.744 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.421 3.412 -12.650 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.444 2.381 -12.796 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.572 2.059 -11.405 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.196 3.301 -14.865 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.551 4.974 -14.375 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.090 4.316 -14.171 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.544 0.161 -12.929 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.177 0.863 -12.838 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.145 1.191 -14.250 1.00 0.00 H new ATOM 1119 N LEU A 71 -2.733 6.308 -10.795 1.00 0.00 N ATOM 1120 CA LEU A 71 -3.632 7.464 -10.945 1.00 0.00 C ATOM 1121 C LEU A 71 -3.623 8.410 -9.714 1.00 0.00 C ATOM 1122 O LEU A 71 -3.662 7.923 -8.580 1.00 0.00 O ATOM 1123 CB LEU A 71 -5.057 6.933 -11.272 1.00 0.00 C ATOM 1124 CG LEU A 71 -5.193 5.808 -12.336 1.00 0.00 C ATOM 1125 CD1 LEU A 71 -6.591 5.194 -12.285 1.00 0.00 C ATOM 1126 CD2 LEU A 71 -4.939 6.247 -13.781 1.00 0.00 C ATOM 0 H LEU A 71 -2.769 5.864 -9.878 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.273 8.084 -11.766 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.498 6.569 -10.344 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.660 7.779 -11.602 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.415 5.092 -12.071 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.671 4.408 -13.036 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.767 4.770 -11.296 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.335 5.965 -12.487 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.058 5.392 -14.447 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.653 7.023 -14.056 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.925 6.638 -13.870 1.00 0.00 H new ATOM 1138 N PRO A 72 -3.584 9.751 -9.907 1.00 0.00 N ATOM 1139 CA PRO A 72 -3.559 10.736 -8.818 1.00 0.00 C ATOM 1140 C PRO A 72 -4.956 10.995 -8.226 1.00 0.00 C ATOM 1141 O PRO A 72 -5.970 10.572 -8.787 1.00 0.00 O ATOM 1142 CB PRO A 72 -2.957 12.000 -9.443 1.00 0.00 C ATOM 1143 CG PRO A 72 -3.440 11.939 -10.889 1.00 0.00 C ATOM 1144 CD PRO A 72 -3.485 10.441 -11.193 1.00 0.00 C ATOM 0 HA PRO A 72 -2.971 10.380 -7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.305 12.902 -8.940 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.869 12.000 -9.382 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.421 12.400 -11.003 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.761 12.464 -11.561 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.338 10.201 -11.827 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.590 10.129 -11.731 1.00 0.00 H new ATOM 1152 N SER A 73 -5.020 11.719 -7.103 1.00 0.00 N ATOM 1153 CA SER A 73 -6.267 12.036 -6.378 1.00 0.00 C ATOM 1154 C SER A 73 -7.312 12.774 -7.238 1.00 0.00 C ATOM 1155 O SER A 73 -6.952 13.630 -8.050 1.00 0.00 O ATOM 1156 CB SER A 73 -5.937 12.850 -5.119 1.00 0.00 C ATOM 1157 OG SER A 73 -7.070 12.967 -4.280 1.00 0.00 O ATOM 0 H SER A 73 -4.190 12.112 -6.659 1.00 0.00 H new ATOM 0 HA SER A 73 -6.724 11.085 -6.104 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.124 12.370 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.587 13.842 -5.404 1.00 0.00 H new ATOM 0 HG SER A 73 -6.835 13.488 -3.484 1.00 0.00 H new ATOM 1163 N GLU A 74 -8.604 12.443 -7.079 1.00 0.00 N ATOM 1164 CA GLU A 74 -9.714 12.974 -7.897 1.00 0.00 C ATOM 1165 C GLU A 74 -10.896 13.481 -7.044 1.00 0.00 C ATOM 1166 O GLU A 74 -10.890 13.368 -5.820 1.00 0.00 O ATOM 1167 CB GLU A 74 -10.214 11.867 -8.857 1.00 0.00 C ATOM 1168 CG GLU A 74 -9.147 11.207 -9.746 1.00 0.00 C ATOM 1169 CD GLU A 74 -8.430 12.174 -10.694 1.00 0.00 C ATOM 1170 OE1 GLU A 74 -8.993 13.060 -11.336 1.00 0.00 O ATOM 1171 OE2 GLU A 74 -7.092 11.971 -10.815 1.00 0.00 O ATOM 0 H GLU A 74 -8.916 11.785 -6.364 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.328 13.828 -8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.694 11.089 -8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.981 12.294 -9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.406 10.726 -9.108 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.618 10.421 -10.336 1.00 0.00 H new ATOM 1179 N GLU A 75 -11.941 14.004 -7.698 1.00 0.00 N ATOM 1180 CA GLU A 75 -13.211 14.425 -7.066 1.00 0.00 C ATOM 1181 C GLU A 75 -14.308 13.343 -7.224 1.00 0.00 C ATOM 1182 O GLU A 75 -15.371 13.424 -6.609 1.00 0.00 O ATOM 1183 CB GLU A 75 -13.649 15.790 -7.624 1.00 0.00 C ATOM 1184 CG GLU A 75 -12.775 16.954 -7.128 1.00 0.00 C ATOM 1185 CD GLU A 75 -13.043 17.293 -5.646 1.00 0.00 C ATOM 1186 OE1 GLU A 75 -14.017 18.033 -5.359 1.00 0.00 O ATOM 1187 OE2 GLU A 75 -12.287 16.829 -4.755 1.00 0.00 O ATOM 0 H GLU A 75 -11.933 14.152 -8.707 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.049 14.540 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.617 15.758 -8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.685 15.976 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.724 16.697 -7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.964 17.835 -7.741 1.00 0.00 H new ATOM 1194 N GLU A 76 -14.025 12.290 -8.005 1.00 0.00 N ATOM 1195 CA GLU A 76 -14.835 11.077 -8.220 1.00 0.00 C ATOM 1196 C GLU A 76 -14.135 9.919 -7.474 1.00 0.00 C ATOM 1197 O GLU A 76 -13.873 8.834 -7.992 1.00 0.00 O ATOM 1198 CB GLU A 76 -15.068 10.869 -9.732 1.00 0.00 C ATOM 1199 CG GLU A 76 -15.958 9.678 -10.135 1.00 0.00 C ATOM 1200 CD GLU A 76 -17.275 9.589 -9.339 1.00 0.00 C ATOM 1201 OE1 GLU A 76 -18.107 10.525 -9.424 1.00 0.00 O ATOM 1202 OE2 GLU A 76 -17.490 8.571 -8.634 1.00 0.00 O ATOM 0 H GLU A 76 -13.160 12.260 -8.544 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.841 11.150 -7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.512 11.778 -10.137 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.097 10.747 -10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.191 9.753 -11.197 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.397 8.754 -9.996 1.00 0.00 H new ATOM 1209 N GLY A 77 -13.731 10.230 -6.245 1.00 0.00 N ATOM 1210 CA GLY A 77 -12.949 9.413 -5.318 1.00 0.00 C ATOM 1211 C GLY A 77 -12.083 10.328 -4.454 1.00 0.00 C ATOM 1212 O GLY A 77 -12.382 11.514 -4.316 1.00 0.00 O ATOM 0 H GLY A 77 -13.961 11.136 -5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.612 8.819 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.322 8.713 -5.870 1.00 0.00 H new ATOM 1216 N ARG A 78 -11.035 9.776 -3.846 1.00 0.00 N ATOM 1217 CA ARG A 78 -9.990 10.486 -3.074 1.00 0.00 C ATOM 1218 C ARG A 78 -8.678 10.078 -3.746 1.00 0.00 C ATOM 1219 O ARG A 78 -8.581 10.268 -4.957 1.00 0.00 O ATOM 1220 CB ARG A 78 -10.097 10.179 -1.563 1.00 0.00 C ATOM 1221 CG ARG A 78 -11.428 10.548 -0.880 1.00 0.00 C ATOM 1222 CD ARG A 78 -11.636 12.058 -0.649 1.00 0.00 C ATOM 1223 NE ARG A 78 -11.854 12.770 -1.918 1.00 0.00 N ATOM 1224 CZ ARG A 78 -11.878 14.061 -2.174 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -11.835 14.973 -1.246 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -11.944 14.434 -3.414 1.00 0.00 N ATOM 0 H ARG A 78 -10.874 8.769 -3.874 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.085 11.572 -3.093 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.923 9.113 -1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.292 10.706 -1.050 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.250 10.171 -1.488 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.482 10.036 0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.492 12.213 0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.765 12.473 -0.142 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.011 12.169 -2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.780 14.700 -0.265 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.856 15.961 -1.500 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.976 13.735 -4.156 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.964 15.427 -3.648 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.703 9.500 -3.031 1.00 0.00 N ATOM 1241 CA LEU A 79 -6.484 8.964 -3.667 1.00 0.00 C ATOM 1242 C LEU A 79 -6.990 7.850 -4.598 1.00 0.00 C ATOM 1243 O LEU A 79 -7.594 6.889 -4.126 1.00 0.00 O ATOM 1244 CB LEU A 79 -5.493 8.415 -2.622 1.00 0.00 C ATOM 1245 CG LEU A 79 -4.568 9.468 -1.983 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -5.316 10.494 -1.130 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -3.539 8.768 -1.092 1.00 0.00 C ATOM 0 H LEU A 79 -7.731 9.390 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.934 9.734 -4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.059 7.923 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.876 7.651 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.094 10.002 -2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.605 11.206 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.038 11.025 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.839 9.983 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.884 9.512 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.054 8.213 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.945 8.080 -1.693 1.00 0.00 H new ATOM 1259 N TYR A 80 -6.802 7.986 -5.913 1.00 0.00 N ATOM 1260 CA TYR A 80 -7.384 7.041 -6.864 1.00 0.00 C ATOM 1261 C TYR A 80 -6.665 5.684 -6.935 1.00 0.00 C ATOM 1262 O TYR A 80 -5.438 5.615 -7.002 1.00 0.00 O ATOM 1263 CB TYR A 80 -7.600 7.708 -8.225 1.00 0.00 C ATOM 1264 CG TYR A 80 -8.771 7.122 -8.993 1.00 0.00 C ATOM 1265 CD1 TYR A 80 -8.653 5.870 -9.622 1.00 0.00 C ATOM 1266 CD2 TYR A 80 -10.001 7.809 -9.039 1.00 0.00 C ATOM 1267 CE1 TYR A 80 -9.744 5.318 -10.320 1.00 0.00 C ATOM 1268 CE2 TYR A 80 -11.088 7.275 -9.754 1.00 0.00 C ATOM 1269 CZ TYR A 80 -10.960 6.027 -10.405 1.00 0.00 C ATOM 1270 OH TYR A 80 -12.007 5.499 -11.095 1.00 0.00 O ATOM 0 H TYR A 80 -6.256 8.735 -6.339 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.367 6.770 -6.478 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -7.766 8.775 -8.078 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.694 7.606 -8.822 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.720 5.329 -9.569 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -10.109 8.751 -8.522 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.650 4.351 -10.791 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -12.020 7.818 -9.806 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.769 6.114 -11.054 1.00 0.00 H new ATOM 1280 N PHE A 81 -7.461 4.605 -6.963 1.00 0.00 N ATOM 1281 CA PHE A 81 -7.006 3.230 -7.114 1.00 0.00 C ATOM 1282 C PHE A 81 -7.952 2.323 -7.870 1.00 0.00 C ATOM 1283 O PHE A 81 -9.166 2.511 -7.869 1.00 0.00 O ATOM 1284 CB PHE A 81 -6.542 2.511 -5.835 1.00 0.00 C ATOM 1285 CG PHE A 81 -5.620 3.272 -4.896 1.00 0.00 C ATOM 1286 CD1 PHE A 81 -4.224 3.203 -5.062 1.00 0.00 C ATOM 1287 CD2 PHE A 81 -6.154 4.026 -3.831 1.00 0.00 C ATOM 1288 CE1 PHE A 81 -3.371 3.873 -4.163 1.00 0.00 C ATOM 1289 CE2 PHE A 81 -5.301 4.693 -2.933 1.00 0.00 C ATOM 1290 CZ PHE A 81 -3.908 4.615 -3.097 1.00 0.00 C ATOM 0 H PHE A 81 -8.475 4.677 -6.877 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.117 3.401 -7.722 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.429 2.220 -5.272 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.036 1.592 -6.131 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.806 2.635 -5.880 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.224 4.092 -3.704 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.300 3.816 -4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.717 5.265 -2.117 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.252 5.124 -2.406 1.00 0.00 H new ATOM 1300 N SER A 82 -7.326 1.303 -8.444 1.00 0.00 N ATOM 1301 CA SER A 82 -7.904 0.180 -9.150 1.00 0.00 C ATOM 1302 C SER A 82 -7.036 -1.072 -8.910 1.00 0.00 C ATOM 1303 O SER A 82 -6.045 -1.080 -8.190 1.00 0.00 O ATOM 1304 CB SER A 82 -8.147 0.549 -10.633 1.00 0.00 C ATOM 1305 OG SER A 82 -9.443 1.087 -10.798 1.00 0.00 O ATOM 0 H SER A 82 -6.308 1.241 -8.422 1.00 0.00 H new ATOM 0 HA SER A 82 -8.892 -0.069 -8.764 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.401 1.272 -10.962 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.031 -0.336 -11.259 1.00 0.00 H new ATOM 0 HG SER A 82 -10.111 0.408 -10.567 1.00 0.00 H new ATOM 1311 N MET A 83 -7.425 -2.087 -9.643 1.00 0.00 N ATOM 1312 CA MET A 83 -7.137 -3.514 -9.794 1.00 0.00 C ATOM 1313 C MET A 83 -7.499 -3.901 -11.243 1.00 0.00 C ATOM 1314 O MET A 83 -8.047 -3.076 -11.979 1.00 0.00 O ATOM 1315 CB MET A 83 -7.968 -4.302 -8.765 1.00 0.00 C ATOM 1316 CG MET A 83 -7.380 -4.209 -7.354 1.00 0.00 C ATOM 1317 SD MET A 83 -8.594 -4.109 -6.006 1.00 0.00 S ATOM 1318 CE MET A 83 -9.258 -5.795 -6.002 1.00 0.00 C ATOM 0 H MET A 83 -8.145 -1.869 -10.332 1.00 0.00 H new ATOM 0 HA MET A 83 -6.087 -3.744 -9.613 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.989 -3.921 -8.757 1.00 0.00 H new ATOM 0 HB3 MET A 83 -8.020 -5.348 -9.067 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.746 -5.080 -7.185 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.735 -3.331 -7.305 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.143 -5.836 -5.367 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.527 -6.083 -7.018 1.00 0.00 H new ATOM 0 HE3 MET A 83 -8.504 -6.482 -5.618 1.00 0.00 H new ATOM 1328 N ASP A 84 -7.266 -5.151 -11.653 1.00 0.00 N ATOM 1329 CA ASP A 84 -7.714 -5.607 -12.983 1.00 0.00 C ATOM 1330 C ASP A 84 -9.261 -5.668 -13.064 1.00 0.00 C ATOM 1331 O ASP A 84 -9.823 -5.503 -14.149 1.00 0.00 O ATOM 1332 CB ASP A 84 -7.071 -6.957 -13.327 1.00 0.00 C ATOM 1333 CG ASP A 84 -7.366 -7.381 -14.774 1.00 0.00 C ATOM 1334 OD1 ASP A 84 -6.846 -6.729 -15.713 1.00 0.00 O ATOM 1335 OD2 ASP A 84 -8.088 -8.386 -14.979 1.00 0.00 O ATOM 0 H ASP A 84 -6.780 -5.857 -11.100 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.386 -4.881 -13.727 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.993 -6.893 -13.180 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.441 -7.720 -12.643 1.00 0.00 H new ATOM 1340 N ASP A 85 -9.957 -5.839 -11.922 1.00 0.00 N ATOM 1341 CA ASP A 85 -11.429 -5.808 -11.832 1.00 0.00 C ATOM 1342 C ASP A 85 -11.940 -5.061 -10.570 1.00 0.00 C ATOM 1343 O ASP A 85 -12.908 -5.480 -9.931 1.00 0.00 O ATOM 1344 CB ASP A 85 -11.959 -7.251 -11.953 1.00 0.00 C ATOM 1345 CG ASP A 85 -13.484 -7.328 -12.169 1.00 0.00 C ATOM 1346 OD1 ASP A 85 -14.036 -6.530 -12.967 1.00 0.00 O ATOM 1347 OD2 ASP A 85 -14.133 -8.228 -11.582 1.00 0.00 O ATOM 0 H ASP A 85 -9.504 -6.005 -11.023 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.829 -5.223 -12.660 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.457 -7.746 -12.784 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.699 -7.802 -11.049 1.00 0.00 H new ATOM 1352 N GLY A 86 -11.253 -3.981 -10.161 1.00 0.00 N ATOM 1353 CA GLY A 86 -11.578 -3.196 -8.952 1.00 0.00 C ATOM 1354 C GLY A 86 -11.412 -1.675 -9.075 1.00 0.00 C ATOM 1355 O GLY A 86 -10.848 -1.156 -10.038 1.00 0.00 O ATOM 0 H GLY A 86 -10.444 -3.621 -10.667 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.610 -3.408 -8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.947 -3.546 -8.135 1.00 0.00 H new ATOM 1359 N GLN A 87 -11.900 -0.960 -8.056 1.00 0.00 N ATOM 1360 CA GLN A 87 -11.978 0.512 -7.970 1.00 0.00 C ATOM 1361 C GLN A 87 -11.663 1.037 -6.551 1.00 0.00 C ATOM 1362 O GLN A 87 -12.496 1.678 -5.914 1.00 0.00 O ATOM 1363 CB GLN A 87 -13.390 0.922 -8.442 1.00 0.00 C ATOM 1364 CG GLN A 87 -14.513 0.192 -7.671 1.00 0.00 C ATOM 1365 CD GLN A 87 -15.856 0.906 -7.813 1.00 0.00 C ATOM 1366 OE1 GLN A 87 -16.031 2.048 -7.401 1.00 0.00 O ATOM 1367 NE2 GLN A 87 -16.850 0.287 -8.416 1.00 0.00 N ATOM 0 H GLN A 87 -12.273 -1.412 -7.221 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.219 0.964 -8.609 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.511 1.998 -8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.489 0.709 -9.507 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.603 -0.829 -8.041 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.246 0.126 -6.616 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.723 -0.663 -8.765 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.747 0.758 -8.534 1.00 0.00 H new ATOM 1376 N THR A 88 -10.463 0.777 -6.017 1.00 0.00 N ATOM 1377 CA THR A 88 -10.101 1.107 -4.617 1.00 0.00 C ATOM 1378 C THR A 88 -9.760 2.541 -4.199 1.00 0.00 C ATOM 1379 O THR A 88 -9.386 2.795 -3.057 1.00 0.00 O ATOM 1380 CB THR A 88 -9.278 -0.022 -3.989 1.00 0.00 C ATOM 1381 OG1 THR A 88 -8.170 -0.285 -4.817 1.00 0.00 O ATOM 1382 CG2 THR A 88 -10.138 -1.293 -3.950 1.00 0.00 C ATOM 0 H THR A 88 -9.708 0.331 -6.538 1.00 0.00 H new ATOM 0 HA THR A 88 -11.073 1.151 -4.125 1.00 0.00 H new ATOM 0 HB THR A 88 -8.958 0.264 -2.987 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.633 -1.005 -4.426 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.565 -2.106 -3.505 1.00 0.00 H new ATOM 0 HG22 THR A 88 -11.031 -1.110 -3.353 1.00 0.00 H new ATOM 0 HG23 THR A 88 -10.429 -1.567 -4.964 1.00 0.00 H new ATOM 1390 N ARG A 89 -10.016 3.457 -5.130 1.00 0.00 N ATOM 1391 CA ARG A 89 -9.977 4.951 -5.141 1.00 0.00 C ATOM 1392 C ARG A 89 -10.430 5.814 -3.928 1.00 0.00 C ATOM 1393 O ARG A 89 -10.891 6.938 -4.126 1.00 0.00 O ATOM 1394 CB ARG A 89 -10.769 5.383 -6.408 1.00 0.00 C ATOM 1395 CG ARG A 89 -12.293 5.145 -6.277 1.00 0.00 C ATOM 1396 CD ARG A 89 -13.028 5.225 -7.618 1.00 0.00 C ATOM 1397 NE ARG A 89 -14.422 4.738 -7.496 1.00 0.00 N ATOM 1398 CZ ARG A 89 -15.546 5.406 -7.698 1.00 0.00 C ATOM 1399 NH1 ARG A 89 -15.578 6.676 -7.963 1.00 0.00 N ATOM 1400 NH2 ARG A 89 -16.686 4.786 -7.635 1.00 0.00 N ATOM 0 H ARG A 89 -10.305 3.130 -6.052 1.00 0.00 H new ATOM 0 HA ARG A 89 -8.909 5.167 -5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.587 6.440 -6.601 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.393 4.832 -7.270 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -12.465 4.165 -5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.713 5.883 -5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.030 6.255 -7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.497 4.632 -8.363 1.00 0.00 H new ATOM 0 HE ARG A 89 -14.529 3.762 -7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.709 7.206 -8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -16.472 7.144 -8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -16.713 3.787 -7.430 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -17.554 5.298 -7.790 1.00 0.00 H new ATOM 1414 N PHE A 90 -10.281 5.360 -2.689 1.00 0.00 N ATOM 1415 CA PHE A 90 -10.557 6.119 -1.459 1.00 0.00 C ATOM 1416 C PHE A 90 -9.255 6.378 -0.671 1.00 0.00 C ATOM 1417 O PHE A 90 -8.204 5.823 -0.991 1.00 0.00 O ATOM 1418 CB PHE A 90 -11.637 5.389 -0.643 1.00 0.00 C ATOM 1419 CG PHE A 90 -12.208 6.214 0.497 1.00 0.00 C ATOM 1420 CD1 PHE A 90 -13.002 7.344 0.214 1.00 0.00 C ATOM 1421 CD2 PHE A 90 -11.917 5.886 1.836 1.00 0.00 C ATOM 1422 CE1 PHE A 90 -13.489 8.145 1.263 1.00 0.00 C ATOM 1423 CE2 PHE A 90 -12.407 6.686 2.883 1.00 0.00 C ATOM 1424 CZ PHE A 90 -13.190 7.818 2.597 1.00 0.00 C ATOM 0 H PHE A 90 -9.951 4.414 -2.498 1.00 0.00 H new ATOM 0 HA PHE A 90 -10.951 7.105 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -12.448 5.098 -1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.213 4.470 -0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -13.237 7.595 -0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -11.316 5.017 2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -14.094 9.012 1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -12.182 6.431 3.908 1.00 0.00 H new ATOM 0 HZ PHE A 90 -13.561 8.436 3.401 1.00 0.00 H new ATOM 1434 N THR A 91 -9.301 7.232 0.357 1.00 0.00 N ATOM 1435 CA THR A 91 -8.125 7.661 1.141 1.00 0.00 C ATOM 1436 C THR A 91 -7.369 6.466 1.741 1.00 0.00 C ATOM 1437 O THR A 91 -7.977 5.505 2.214 1.00 0.00 O ATOM 1438 CB THR A 91 -8.550 8.653 2.237 1.00 0.00 C ATOM 1439 OG1 THR A 91 -9.289 9.694 1.641 1.00 0.00 O ATOM 1440 CG2 THR A 91 -7.380 9.315 2.963 1.00 0.00 C ATOM 0 H THR A 91 -10.171 7.656 0.678 1.00 0.00 H new ATOM 0 HA THR A 91 -7.436 8.164 0.462 1.00 0.00 H new ATOM 0 HB THR A 91 -9.119 8.073 2.963 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.568 10.333 2.330 1.00 0.00 H new ATOM 0 HG21 THR A 91 -7.762 10.000 3.720 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.769 8.550 3.441 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.773 9.868 2.246 1.00 0.00 H new ATOM 1448 N ASP A 92 -6.036 6.519 1.735 1.00 0.00 N ATOM 1449 CA ASP A 92 -5.180 5.408 2.169 1.00 0.00 C ATOM 1450 C ASP A 92 -5.142 5.249 3.696 1.00 0.00 C ATOM 1451 O ASP A 92 -5.358 4.149 4.206 1.00 0.00 O ATOM 1452 CB ASP A 92 -3.782 5.616 1.586 1.00 0.00 C ATOM 1453 CG ASP A 92 -2.818 4.523 2.070 1.00 0.00 C ATOM 1454 OD1 ASP A 92 -2.793 3.431 1.453 1.00 0.00 O ATOM 1455 OD2 ASP A 92 -2.098 4.777 3.065 1.00 0.00 O ATOM 0 H ASP A 92 -5.514 7.339 1.427 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.601 4.475 1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.833 5.606 0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.404 6.596 1.878 1.00 0.00 H new ATOM 1460 N LEU A 93 -4.949 6.347 4.440 1.00 0.00 N ATOM 1461 CA LEU A 93 -4.847 6.287 5.905 1.00 0.00 C ATOM 1462 C LEU A 93 -6.175 5.864 6.554 1.00 0.00 C ATOM 1463 O LEU A 93 -6.180 5.056 7.482 1.00 0.00 O ATOM 1464 CB LEU A 93 -4.331 7.637 6.437 1.00 0.00 C ATOM 1465 CG LEU A 93 -4.111 7.681 7.964 1.00 0.00 C ATOM 1466 CD1 LEU A 93 -3.088 6.649 8.446 1.00 0.00 C ATOM 1467 CD2 LEU A 93 -3.613 9.069 8.367 1.00 0.00 C ATOM 0 H LEU A 93 -4.860 7.286 4.052 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.128 5.515 6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.390 7.873 5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.041 8.417 6.162 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.070 7.450 8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.975 6.727 9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.432 5.647 8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.128 6.837 7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.457 9.101 9.445 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.672 9.280 7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.354 9.817 8.085 1.00 0.00 H new ATOM 1479 N LEU A 94 -7.308 6.344 6.024 1.00 0.00 N ATOM 1480 CA LEU A 94 -8.641 5.930 6.483 1.00 0.00 C ATOM 1481 C LEU A 94 -8.889 4.440 6.212 1.00 0.00 C ATOM 1482 O LEU A 94 -9.459 3.754 7.058 1.00 0.00 O ATOM 1483 CB LEU A 94 -9.735 6.802 5.834 1.00 0.00 C ATOM 1484 CG LEU A 94 -9.667 8.308 6.160 1.00 0.00 C ATOM 1485 CD1 LEU A 94 -10.847 9.028 5.508 1.00 0.00 C ATOM 1486 CD2 LEU A 94 -9.708 8.595 7.662 1.00 0.00 C ATOM 0 H LEU A 94 -7.327 7.028 5.268 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.684 6.077 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.678 6.680 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.709 6.424 6.147 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.714 8.667 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.797 10.092 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -10.806 8.889 4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -11.781 8.617 5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.657 9.671 7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.636 8.207 8.081 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.860 8.112 8.148 1.00 0.00 H new ATOM 1498 N GLN A 95 -8.408 3.902 5.085 1.00 0.00 N ATOM 1499 CA GLN A 95 -8.491 2.489 4.785 1.00 0.00 C ATOM 1500 C GLN A 95 -7.597 1.649 5.707 1.00 0.00 C ATOM 1501 O GLN A 95 -8.045 0.620 6.214 1.00 0.00 O ATOM 1502 CB GLN A 95 -8.134 2.308 3.307 1.00 0.00 C ATOM 1503 CG GLN A 95 -9.370 2.455 2.413 1.00 0.00 C ATOM 1504 CD GLN A 95 -9.059 2.178 0.950 1.00 0.00 C ATOM 1505 OE1 GLN A 95 -9.356 1.115 0.424 1.00 0.00 O ATOM 1506 NE2 GLN A 95 -8.473 3.113 0.239 1.00 0.00 N ATOM 0 H GLN A 95 -7.949 4.449 4.357 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.503 2.128 4.967 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.385 3.045 3.019 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.688 1.325 3.156 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.146 1.769 2.754 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -9.770 3.464 2.513 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.223 4.002 0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -8.268 2.951 -0.747 1.00 0.00 H new ATOM 1515 N LEU A 96 -6.376 2.101 5.994 1.00 0.00 N ATOM 1516 CA LEU A 96 -5.451 1.399 6.887 1.00 0.00 C ATOM 1517 C LEU A 96 -5.968 1.361 8.333 1.00 0.00 C ATOM 1518 O LEU A 96 -5.885 0.319 8.985 1.00 0.00 O ATOM 1519 CB LEU A 96 -4.059 2.052 6.728 1.00 0.00 C ATOM 1520 CG LEU A 96 -2.881 1.350 7.440 1.00 0.00 C ATOM 1521 CD1 LEU A 96 -1.564 1.787 6.791 1.00 0.00 C ATOM 1522 CD2 LEU A 96 -2.768 1.698 8.928 1.00 0.00 C ATOM 0 H LEU A 96 -5.998 2.968 5.612 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.370 0.347 6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.829 2.109 5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.119 3.076 7.097 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.070 0.281 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.731 1.293 7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.569 1.511 5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.454 2.868 6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.919 1.169 9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.622 2.772 9.040 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.682 1.400 9.442 1.00 0.00 H new ATOM 1534 N VAL A 97 -6.567 2.449 8.821 1.00 0.00 N ATOM 1535 CA VAL A 97 -7.169 2.494 10.163 1.00 0.00 C ATOM 1536 C VAL A 97 -8.505 1.738 10.198 1.00 0.00 C ATOM 1537 O VAL A 97 -8.589 0.665 10.791 1.00 0.00 O ATOM 1538 CB VAL A 97 -7.276 3.945 10.686 1.00 0.00 C ATOM 1539 CG1 VAL A 97 -7.972 4.026 12.051 1.00 0.00 C ATOM 1540 CG2 VAL A 97 -5.881 4.566 10.853 1.00 0.00 C ATOM 0 H VAL A 97 -6.650 3.323 8.302 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.505 1.973 10.853 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.864 4.486 9.945 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.021 5.066 12.373 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.982 3.623 11.969 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.408 3.446 12.782 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.979 5.587 11.222 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.303 3.977 11.565 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.369 4.576 9.891 1.00 0.00 H new ATOM 1550 N GLU A 98 -9.548 2.259 9.553 1.00 0.00 N ATOM 1551 CA GLU A 98 -10.914 1.715 9.595 1.00 0.00 C ATOM 1552 C GLU A 98 -11.237 0.545 8.659 1.00 0.00 C ATOM 1553 O GLU A 98 -11.932 -0.361 9.104 1.00 0.00 O ATOM 1554 CB GLU A 98 -11.889 2.895 9.416 1.00 0.00 C ATOM 1555 CG GLU A 98 -13.345 2.475 9.196 1.00 0.00 C ATOM 1556 CD GLU A 98 -14.292 3.687 9.268 1.00 0.00 C ATOM 1557 OE1 GLU A 98 -14.520 4.355 8.231 1.00 0.00 O ATOM 1558 OE2 GLU A 98 -14.822 3.980 10.369 1.00 0.00 O ATOM 0 H GLU A 98 -9.469 3.093 8.970 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.024 1.236 10.568 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.836 3.533 10.298 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -11.563 3.496 8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.444 1.991 8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.632 1.741 9.949 1.00 0.00 H new ATOM 1565 N PHE A 99 -10.789 0.519 7.400 1.00 0.00 N ATOM 1566 CA PHE A 99 -11.207 -0.546 6.465 1.00 0.00 C ATOM 1567 C PHE A 99 -10.440 -1.871 6.592 1.00 0.00 C ATOM 1568 O PHE A 99 -11.018 -2.914 6.302 1.00 0.00 O ATOM 1569 CB PHE A 99 -11.158 -0.093 4.992 1.00 0.00 C ATOM 1570 CG PHE A 99 -12.108 1.005 4.516 1.00 0.00 C ATOM 1571 CD1 PHE A 99 -12.183 2.265 5.147 1.00 0.00 C ATOM 1572 CD2 PHE A 99 -12.871 0.782 3.350 1.00 0.00 C ATOM 1573 CE1 PHE A 99 -13.008 3.277 4.625 1.00 0.00 C ATOM 1574 CE2 PHE A 99 -13.695 1.795 2.826 1.00 0.00 C ATOM 1575 CZ PHE A 99 -13.762 3.044 3.463 1.00 0.00 C ATOM 0 H PHE A 99 -10.148 1.207 7.004 1.00 0.00 H new ATOM 0 HA PHE A 99 -12.236 -0.738 6.768 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -10.141 0.241 4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -11.337 -0.972 4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -11.602 2.454 6.038 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -12.822 -0.176 2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -13.062 4.236 5.119 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -14.276 1.612 1.934 1.00 0.00 H new ATOM 0 HZ PHE A 99 -14.392 3.824 3.061 1.00 0.00 H new ATOM 1585 N HIS A 100 -9.177 -1.863 7.046 1.00 0.00 N ATOM 1586 CA HIS A 100 -8.269 -3.035 7.085 1.00 0.00 C ATOM 1587 C HIS A 100 -8.882 -4.388 7.478 1.00 0.00 C ATOM 1588 O HIS A 100 -8.580 -5.387 6.832 1.00 0.00 O ATOM 1589 CB HIS A 100 -7.021 -2.715 7.937 1.00 0.00 C ATOM 1590 CG HIS A 100 -7.185 -2.887 9.435 1.00 0.00 C ATOM 1591 ND1 HIS A 100 -7.547 -1.914 10.351 1.00 0.00 N ATOM 1592 CD2 HIS A 100 -6.952 -4.040 10.136 1.00 0.00 C ATOM 1593 CE1 HIS A 100 -7.541 -2.467 11.580 1.00 0.00 C ATOM 1594 NE2 HIS A 100 -7.187 -3.764 11.472 1.00 0.00 N ATOM 0 H HIS A 100 -8.739 -1.016 7.409 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.997 -3.191 6.041 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -6.203 -3.354 7.604 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -6.723 -1.686 7.739 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -7.779 -0.945 10.133 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -6.642 -4.989 9.723 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -7.780 -1.955 12.501 1.00 0.00 H new ATOM 1603 N GLN A 101 -9.755 -4.446 8.489 1.00 0.00 N ATOM 1604 CA GLN A 101 -10.317 -5.719 8.969 1.00 0.00 C ATOM 1605 C GLN A 101 -11.400 -6.324 8.044 1.00 0.00 C ATOM 1606 O GLN A 101 -11.617 -7.535 8.095 1.00 0.00 O ATOM 1607 CB GLN A 101 -10.742 -5.591 10.449 1.00 0.00 C ATOM 1608 CG GLN A 101 -12.079 -4.889 10.755 1.00 0.00 C ATOM 1609 CD GLN A 101 -12.178 -3.467 10.209 1.00 0.00 C ATOM 1610 OE1 GLN A 101 -12.809 -3.232 9.191 1.00 0.00 O ATOM 1611 NE2 GLN A 101 -11.539 -2.490 10.826 1.00 0.00 N ATOM 0 H GLN A 101 -10.090 -3.626 8.994 1.00 0.00 H new ATOM 0 HA GLN A 101 -9.523 -6.464 8.923 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.786 -6.594 10.873 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -9.954 -5.056 10.979 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -12.892 -5.484 10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.224 -4.863 11.835 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -11.011 -2.684 11.677 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -11.574 -1.542 10.452 1.00 0.00 H new ATOM 1620 N LEU A 102 -12.036 -5.514 7.183 1.00 0.00 N ATOM 1621 CA LEU A 102 -13.077 -5.894 6.211 1.00 0.00 C ATOM 1622 C LEU A 102 -12.977 -5.029 4.925 1.00 0.00 C ATOM 1623 O LEU A 102 -13.924 -4.332 4.547 1.00 0.00 O ATOM 1624 CB LEU A 102 -14.476 -5.784 6.866 1.00 0.00 C ATOM 1625 CG LEU A 102 -14.819 -6.816 7.958 1.00 0.00 C ATOM 1626 CD1 LEU A 102 -16.182 -6.482 8.568 1.00 0.00 C ATOM 1627 CD2 LEU A 102 -14.891 -8.244 7.409 1.00 0.00 C ATOM 0 H LEU A 102 -11.826 -4.517 7.143 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.922 -6.931 5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -14.570 -4.788 7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.226 -5.861 6.079 1.00 0.00 H new ATOM 0 HG LEU A 102 -14.023 -6.767 8.701 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -16.424 -7.212 9.340 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -16.149 -5.486 9.009 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -16.945 -6.510 7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -15.135 -8.933 8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -15.661 -8.300 6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.928 -8.517 6.978 1.00 0.00 H new ATOM 1639 N ASN A 103 -11.810 -5.040 4.267 1.00 0.00 N ATOM 1640 CA ASN A 103 -11.522 -4.214 3.081 1.00 0.00 C ATOM 1641 C ASN A 103 -11.870 -4.948 1.756 1.00 0.00 C ATOM 1642 O ASN A 103 -12.735 -5.825 1.719 1.00 0.00 O ATOM 1643 CB ASN A 103 -10.055 -3.723 3.184 1.00 0.00 C ATOM 1644 CG ASN A 103 -9.776 -2.436 2.414 1.00 0.00 C ATOM 1645 OD1 ASN A 103 -10.590 -1.953 1.644 1.00 0.00 O ATOM 1646 ND2 ASN A 103 -8.604 -1.872 2.548 1.00 0.00 N ATOM 0 H ASN A 103 -11.026 -5.631 4.546 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.168 -3.336 3.058 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.808 -3.567 4.234 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.394 -4.506 2.814 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.376 -1.035 2.011 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -7.917 -2.269 3.189 1.00 0.00 H new ATOM 1653 N ARG A 104 -11.213 -4.572 0.645 1.00 0.00 N ATOM 1654 CA ARG A 104 -11.319 -5.199 -0.688 1.00 0.00 C ATOM 1655 C ARG A 104 -10.146 -6.149 -1.020 1.00 0.00 C ATOM 1656 O ARG A 104 -10.180 -6.808 -2.057 1.00 0.00 O ATOM 1657 CB ARG A 104 -11.483 -4.091 -1.754 1.00 0.00 C ATOM 1658 CG ARG A 104 -12.891 -3.462 -1.823 1.00 0.00 C ATOM 1659 CD ARG A 104 -13.314 -2.575 -0.639 1.00 0.00 C ATOM 1660 NE ARG A 104 -12.465 -1.367 -0.501 1.00 0.00 N ATOM 1661 CZ ARG A 104 -12.676 -0.181 -1.044 1.00 0.00 C ATOM 1662 NH1 ARG A 104 -13.703 0.057 -1.810 1.00 0.00 N ATOM 1663 NH2 ARG A 104 -11.844 0.797 -0.842 1.00 0.00 N ATOM 0 H ARG A 104 -10.563 -3.786 0.650 1.00 0.00 H new ATOM 0 HA ARG A 104 -12.201 -5.840 -0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.758 -3.303 -1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.238 -4.507 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.952 -2.865 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -13.619 -4.268 -1.921 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -14.353 -2.272 -0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.265 -3.156 0.282 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.628 -1.462 0.075 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.375 -0.685 -2.007 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.835 0.985 -2.213 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.019 0.653 -0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.016 1.709 -1.266 1.00 0.00 H new ATOM 1677 N GLY A 105 -9.138 -6.235 -0.140 1.00 0.00 N ATOM 1678 CA GLY A 105 -7.943 -7.092 -0.255 1.00 0.00 C ATOM 1679 C GLY A 105 -7.249 -7.123 -1.627 1.00 0.00 C ATOM 1680 O GLY A 105 -7.163 -6.118 -2.336 1.00 0.00 O ATOM 0 H GLY A 105 -9.131 -5.681 0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.216 -6.764 0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.228 -8.111 0.006 1.00 0.00 H new ATOM 1684 N ILE A 106 -6.716 -8.303 -1.962 1.00 0.00 N ATOM 1685 CA ILE A 106 -6.097 -8.639 -3.261 1.00 0.00 C ATOM 1686 C ILE A 106 -7.173 -8.955 -4.329 1.00 0.00 C ATOM 1687 O ILE A 106 -8.297 -9.318 -3.980 1.00 0.00 O ATOM 1688 CB ILE A 106 -5.107 -9.817 -3.045 1.00 0.00 C ATOM 1689 CG1 ILE A 106 -4.257 -10.204 -4.273 1.00 0.00 C ATOM 1690 CG2 ILE A 106 -5.830 -11.083 -2.546 1.00 0.00 C ATOM 1691 CD1 ILE A 106 -3.240 -9.150 -4.710 1.00 0.00 C ATOM 0 H ILE A 106 -6.701 -9.088 -1.311 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.542 -7.783 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.422 -9.429 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.726 -11.130 -4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.925 -10.411 -5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -5.105 -11.885 -2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -6.323 -10.870 -1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.574 -11.390 -3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.691 -9.512 -5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.760 -8.227 -4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.542 -8.958 -3.895 1.00 0.00 H new ATOM 1703 N LEU A 107 -6.829 -8.858 -5.629 1.00 0.00 N ATOM 1704 CA LEU A 107 -7.693 -9.234 -6.773 1.00 0.00 C ATOM 1705 C LEU A 107 -8.622 -10.468 -6.538 1.00 0.00 C ATOM 1706 O LEU A 107 -9.829 -10.290 -6.733 1.00 0.00 O ATOM 1707 CB LEU A 107 -6.808 -9.420 -8.029 1.00 0.00 C ATOM 1708 CG LEU A 107 -6.911 -8.269 -9.037 1.00 0.00 C ATOM 1709 CD1 LEU A 107 -5.776 -8.380 -10.054 1.00 0.00 C ATOM 1710 CD2 LEU A 107 -8.248 -8.315 -9.774 1.00 0.00 C ATOM 0 H LEU A 107 -5.918 -8.507 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.395 -8.412 -6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.769 -9.525 -7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.088 -10.350 -8.524 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.839 -7.326 -8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.849 -7.562 -10.771 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -4.818 -8.326 -9.537 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.851 -9.332 -10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.301 -7.490 -10.484 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.336 -9.261 -10.309 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.063 -8.228 -9.055 1.00 0.00 H new ATOM 1722 N PRO A 108 -8.145 -11.678 -6.124 1.00 0.00 N ATOM 1723 CA PRO A 108 -9.012 -12.869 -6.067 1.00 0.00 C ATOM 1724 C PRO A 108 -9.222 -13.536 -4.684 1.00 0.00 C ATOM 1725 O PRO A 108 -10.310 -14.059 -4.432 1.00 0.00 O ATOM 1726 CB PRO A 108 -8.321 -13.840 -7.027 1.00 0.00 C ATOM 1727 CG PRO A 108 -6.828 -13.550 -6.847 1.00 0.00 C ATOM 1728 CD PRO A 108 -6.765 -12.149 -6.228 1.00 0.00 C ATOM 0 HA PRO A 108 -10.031 -12.579 -6.322 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -8.557 -14.876 -6.784 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -8.637 -13.674 -8.057 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -6.358 -14.289 -6.198 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.302 -13.583 -7.801 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.291 -12.179 -5.247 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.172 -11.477 -6.848 1.00 0.00 H new ATOM 1736 N CYS A 109 -8.223 -13.539 -3.789 1.00 0.00 N ATOM 1737 CA CYS A 109 -8.211 -14.224 -2.503 1.00 0.00 C ATOM 1738 C CYS A 109 -8.699 -13.376 -1.293 1.00 0.00 C ATOM 1739 O CYS A 109 -9.778 -12.780 -1.365 1.00 0.00 O ATOM 1740 CB CYS A 109 -6.792 -14.787 -2.387 1.00 0.00 C ATOM 1741 SG CYS A 109 -6.420 -15.969 -3.718 1.00 0.00 S ATOM 0 H CYS A 109 -7.355 -13.032 -3.960 1.00 0.00 H new ATOM 0 HA CYS A 109 -8.955 -15.020 -2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.073 -13.968 -2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -6.674 -15.279 -1.421 1.00 0.00 H new ATOM 0 HG CYS A 109 -5.739 -16.966 -3.235 1.00 0.00 H new ATOM 1747 N LEU A 110 -7.965 -13.353 -0.164 1.00 0.00 N ATOM 1748 CA LEU A 110 -8.368 -12.689 1.093 1.00 0.00 C ATOM 1749 C LEU A 110 -8.683 -11.187 0.924 1.00 0.00 C ATOM 1750 O LEU A 110 -7.938 -10.449 0.281 1.00 0.00 O ATOM 1751 CB LEU A 110 -7.286 -12.882 2.185 1.00 0.00 C ATOM 1752 CG LEU A 110 -7.348 -14.162 3.046 1.00 0.00 C ATOM 1753 CD1 LEU A 110 -8.523 -14.104 4.029 1.00 0.00 C ATOM 1754 CD2 LEU A 110 -7.466 -15.456 2.242 1.00 0.00 C ATOM 0 H LEU A 110 -7.054 -13.806 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.295 -13.171 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.311 -12.853 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.332 -12.025 2.857 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.394 -14.186 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.545 -15.017 4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.404 -13.244 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.457 -14.009 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.503 -16.306 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.376 -15.431 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.602 -15.556 1.585 1.00 0.00 H new ATOM 1766 N LEU A 111 -9.766 -10.743 1.578 1.00 0.00 N ATOM 1767 CA LEU A 111 -10.301 -9.371 1.507 1.00 0.00 C ATOM 1768 C LEU A 111 -9.765 -8.395 2.578 1.00 0.00 C ATOM 1769 O LEU A 111 -9.953 -7.184 2.457 1.00 0.00 O ATOM 1770 CB LEU A 111 -11.844 -9.417 1.417 1.00 0.00 C ATOM 1771 CG LEU A 111 -12.699 -9.781 2.653 1.00 0.00 C ATOM 1772 CD1 LEU A 111 -12.387 -11.161 3.238 1.00 0.00 C ATOM 1773 CD2 LEU A 111 -12.625 -8.751 3.779 1.00 0.00 C ATOM 0 H LEU A 111 -10.313 -11.347 2.192 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.914 -8.929 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -12.174 -8.435 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.098 -10.129 0.631 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.712 -9.791 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -13.027 -11.343 4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.569 -11.926 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -11.342 -11.198 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -13.250 -9.076 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.593 -8.655 4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.979 -7.787 3.414 1.00 0.00 H new ATOM 1785 N ARG A 112 -9.102 -8.897 3.624 1.00 0.00 N ATOM 1786 CA ARG A 112 -8.581 -8.101 4.759 1.00 0.00 C ATOM 1787 C ARG A 112 -7.082 -7.810 4.628 1.00 0.00 C ATOM 1788 O ARG A 112 -6.378 -8.508 3.901 1.00 0.00 O ATOM 1789 CB ARG A 112 -8.963 -8.780 6.091 1.00 0.00 C ATOM 1790 CG ARG A 112 -8.226 -10.104 6.366 1.00 0.00 C ATOM 1791 CD ARG A 112 -8.854 -10.884 7.532 1.00 0.00 C ATOM 1792 NE ARG A 112 -8.837 -10.127 8.802 1.00 0.00 N ATOM 1793 CZ ARG A 112 -7.872 -10.081 9.706 1.00 0.00 C ATOM 1794 NH1 ARG A 112 -6.727 -10.681 9.535 1.00 0.00 N ATOM 1795 NH2 ARG A 112 -8.041 -9.419 10.815 1.00 0.00 N ATOM 0 H ARG A 112 -8.903 -9.893 3.715 1.00 0.00 H new ATOM 0 HA ARG A 112 -9.053 -7.119 4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -8.759 -8.088 6.909 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.037 -8.969 6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -8.242 -10.721 5.467 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -7.180 -9.896 6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.883 -11.139 7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -8.317 -11.823 7.667 1.00 0.00 H new ATOM 0 HE ARG A 112 -9.669 -9.574 9.006 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -6.551 -11.209 8.680 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -6.008 -10.622 10.256 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -8.921 -8.933 10.990 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -7.294 -9.387 11.509 1.00 0.00 H new ATOM 1809 N HIS A 113 -6.594 -6.813 5.367 1.00 0.00 N ATOM 1810 CA HIS A 113 -5.183 -6.403 5.412 1.00 0.00 C ATOM 1811 C HIS A 113 -4.650 -6.219 6.837 1.00 0.00 C ATOM 1812 O HIS A 113 -5.391 -5.934 7.776 1.00 0.00 O ATOM 1813 CB HIS A 113 -4.957 -5.081 4.663 1.00 0.00 C ATOM 1814 CG HIS A 113 -5.507 -4.962 3.269 1.00 0.00 C ATOM 1815 ND1 HIS A 113 -6.681 -4.297 2.905 1.00 0.00 N ATOM 1816 CD2 HIS A 113 -4.828 -5.313 2.142 1.00 0.00 C ATOM 1817 CE1 HIS A 113 -6.679 -4.272 1.561 1.00 0.00 C ATOM 1818 NE2 HIS A 113 -5.586 -4.878 1.078 1.00 0.00 N ATOM 0 H HIS A 113 -7.188 -6.247 5.973 1.00 0.00 H new ATOM 0 HA HIS A 113 -4.642 -7.219 4.933 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -5.387 -4.279 5.262 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -3.883 -4.902 4.616 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -3.881 -5.831 2.092 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -7.452 -3.825 0.954 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -5.355 -4.997 0.092 1.00 0.00 H new ATOM 1826 N CYS A 114 -3.337 -6.380 6.967 1.00 0.00 N ATOM 1827 CA CYS A 114 -2.521 -6.164 8.158 1.00 0.00 C ATOM 1828 C CYS A 114 -1.173 -5.537 7.730 1.00 0.00 C ATOM 1829 O CYS A 114 -0.814 -5.584 6.555 1.00 0.00 O ATOM 1830 CB CYS A 114 -2.365 -7.470 8.960 1.00 0.00 C ATOM 1831 SG CYS A 114 -3.390 -8.881 8.414 1.00 0.00 S ATOM 0 H CYS A 114 -2.770 -6.690 6.178 1.00 0.00 H new ATOM 0 HA CYS A 114 -3.011 -5.465 8.835 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -1.318 -7.772 8.922 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -2.599 -7.261 10.004 1.00 0.00 H new ATOM 0 HG CYS A 114 -3.155 -9.908 9.175 1.00 0.00 H new ATOM 1837 N CYS A 115 -0.359 -5.031 8.653 1.00 0.00 N ATOM 1838 CA CYS A 115 0.874 -4.309 8.285 1.00 0.00 C ATOM 1839 C CYS A 115 2.128 -5.199 8.361 1.00 0.00 C ATOM 1840 O CYS A 115 2.373 -5.855 9.378 1.00 0.00 O ATOM 1841 CB CYS A 115 0.996 -3.055 9.163 1.00 0.00 C ATOM 1842 SG CYS A 115 -0.419 -1.954 8.835 1.00 0.00 S ATOM 0 H CYS A 115 -0.522 -5.102 9.657 1.00 0.00 H new ATOM 0 HA CYS A 115 0.804 -4.008 7.240 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.018 -3.335 10.216 1.00 0.00 H new ATOM 0 HB3 CYS A 115 1.932 -2.538 8.951 1.00 0.00 H new ATOM 0 HG CYS A 115 -0.323 -0.891 9.577 1.00 0.00 H new ATOM 1848 N THR A 116 2.937 -5.198 7.291 1.00 0.00 N ATOM 1849 CA THR A 116 4.212 -5.945 7.201 1.00 0.00 C ATOM 1850 C THR A 116 5.436 -5.053 7.474 1.00 0.00 C ATOM 1851 O THR A 116 5.307 -3.851 7.725 1.00 0.00 O ATOM 1852 CB THR A 116 4.325 -6.702 5.863 1.00 0.00 C ATOM 1853 OG1 THR A 116 5.239 -7.763 6.025 1.00 0.00 O ATOM 1854 CG2 THR A 116 4.807 -5.871 4.673 1.00 0.00 C ATOM 0 H THR A 116 2.724 -4.670 6.445 1.00 0.00 H new ATOM 0 HA THR A 116 4.203 -6.692 7.995 1.00 0.00 H new ATOM 0 HB THR A 116 3.310 -7.023 5.629 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.739 -7.894 5.193 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.850 -6.500 3.784 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.115 -5.046 4.501 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.800 -5.474 4.885 1.00 0.00 H new ATOM 1862 N ARG A 117 6.634 -5.651 7.452 1.00 0.00 N ATOM 1863 CA ARG A 117 7.918 -4.961 7.695 1.00 0.00 C ATOM 1864 C ARG A 117 8.219 -3.878 6.648 1.00 0.00 C ATOM 1865 O ARG A 117 7.799 -3.962 5.493 1.00 0.00 O ATOM 1866 CB ARG A 117 9.076 -5.976 7.754 1.00 0.00 C ATOM 1867 CG ARG A 117 9.004 -6.966 8.926 1.00 0.00 C ATOM 1868 CD ARG A 117 9.100 -6.294 10.305 1.00 0.00 C ATOM 1869 NE ARG A 117 9.141 -7.295 11.391 1.00 0.00 N ATOM 1870 CZ ARG A 117 10.204 -7.897 11.899 1.00 0.00 C ATOM 1871 NH1 ARG A 117 11.411 -7.676 11.458 1.00 0.00 N ATOM 1872 NH2 ARG A 117 10.071 -8.749 12.875 1.00 0.00 N ATOM 0 H ARG A 117 6.746 -6.647 7.262 1.00 0.00 H new ATOM 0 HA ARG A 117 7.824 -4.459 8.658 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.095 -6.539 6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 117 10.017 -5.429 7.815 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.067 -7.520 8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.811 -7.692 8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.994 -5.673 10.347 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.245 -5.633 10.450 1.00 0.00 H new ATOM 0 HE ARG A 117 8.242 -7.553 11.798 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.562 -7.018 10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.204 -8.161 11.878 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.145 -8.954 13.250 1.00 0.00 H new ATOM 0 HH22 ARG A 117 10.893 -9.211 13.264 1.00 0.00 H new ATOM 1966 N PRO B1137 1.935 -8.305 -13.750 1.00 0.00 N ATOM 1967 CA PRO B1137 1.393 -7.118 -13.084 1.00 0.00 C ATOM 1968 C PRO B1137 2.494 -6.209 -12.512 1.00 0.00 C ATOM 1969 O PRO B1137 3.571 -6.678 -12.136 1.00 0.00 O ATOM 1970 CB PRO B1137 0.470 -7.656 -11.983 1.00 0.00 C ATOM 1971 CG PRO B1137 1.103 -9.001 -11.629 1.00 0.00 C ATOM 1972 CD PRO B1137 1.609 -9.501 -12.981 1.00 0.00 C ATOM 0 HA PRO B1137 0.855 -6.485 -13.790 1.00 0.00 H new ATOM 0 HB2 PRO B1137 0.436 -6.987 -11.123 1.00 0.00 H new ATOM 0 HB3 PRO B1137 -0.554 -7.773 -12.337 1.00 0.00 H new ATOM 0 HG2 PRO B1137 1.914 -8.890 -10.909 1.00 0.00 H new ATOM 0 HG3 PRO B1137 0.378 -9.686 -11.189 1.00 0.00 H new ATOM 0 HD2 PRO B1137 2.485 -10.139 -12.859 1.00 0.00 H new ATOM 0 HD3 PRO B1137 0.849 -10.096 -13.487 1.00 0.00 H new ATOM 1980 N GLU B1138 2.207 -4.904 -12.410 1.00 0.00 N ATOM 1981 CA GLU B1138 3.120 -3.938 -11.773 1.00 0.00 C ATOM 1982 C GLU B1138 2.404 -2.834 -10.979 1.00 0.00 C ATOM 1983 O GLU B1138 2.630 -2.800 -9.773 1.00 0.00 O ATOM 1984 CB GLU B1138 4.202 -3.414 -12.736 1.00 0.00 C ATOM 1985 CG GLU B1138 3.724 -2.692 -13.999 1.00 0.00 C ATOM 1986 CD GLU B1138 4.937 -2.267 -14.850 1.00 0.00 C ATOM 1987 OE1 GLU B1138 5.693 -1.362 -14.418 1.00 0.00 O ATOM 1988 OE2 GLU B1138 5.159 -2.856 -15.937 1.00 0.00 O ATOM 0 H GLU B1138 1.345 -4.489 -12.762 1.00 0.00 H new ATOM 0 HA GLU B1138 3.658 -4.505 -11.013 1.00 0.00 H new ATOM 0 HB2 GLU B1138 4.847 -2.733 -12.181 1.00 0.00 H new ATOM 0 HB3 GLU B1138 4.819 -4.259 -13.043 1.00 0.00 H new ATOM 0 HG2 GLU B1138 3.073 -3.347 -14.579 1.00 0.00 H new ATOM 0 HG3 GLU B1138 3.135 -1.816 -13.727 1.00 0.00 H new ATOM 2019 N VAL B1140 -1.136 -2.055 -10.741 1.00 0.00 N ATOM 2020 CA VAL B1140 -2.437 -2.782 -10.536 1.00 0.00 C ATOM 2021 C VAL B1140 -3.691 -2.116 -10.976 1.00 0.00 C ATOM 2022 O VAL B1140 -4.665 -2.815 -11.236 1.00 0.00 O ATOM 2023 CB VAL B1140 -2.551 -3.434 -9.140 1.00 0.00 C ATOM 2024 CG1 VAL B1140 -3.851 -4.073 -8.674 1.00 0.00 C ATOM 2025 CG2 VAL B1140 -1.525 -4.578 -9.109 1.00 0.00 C ATOM 0 HA VAL B1140 -2.355 -3.580 -11.274 1.00 0.00 H new ATOM 0 HB VAL B1140 -2.421 -2.580 -8.476 1.00 0.00 H new ATOM 0 HG11 VAL B1140 -3.720 -4.472 -7.668 1.00 0.00 H new ATOM 0 HG12 VAL B1140 -4.643 -3.324 -8.667 1.00 0.00 H new ATOM 0 HG13 VAL B1140 -4.123 -4.882 -9.352 1.00 0.00 H new ATOM 0 HG21 VAL B1140 -1.564 -5.075 -8.140 1.00 0.00 H new ATOM 0 HG22 VAL B1140 -1.757 -5.297 -9.895 1.00 0.00 H new ATOM 0 HG23 VAL B1140 -0.525 -4.175 -9.270 1.00 0.00 H new ATOM 2035 N ASN B1141 -3.702 -0.792 -11.106 1.00 0.00 N ATOM 2036 CA ASN B1141 -4.842 -0.206 -11.806 1.00 0.00 C ATOM 2037 C ASN B1141 -4.681 -0.937 -13.199 1.00 0.00 C ATOM 2038 O ASN B1141 -5.666 -1.318 -13.831 1.00 0.00 O ATOM 2039 CB ASN B1141 -4.758 1.323 -11.869 1.00 0.00 C ATOM 2040 CG ASN B1141 -4.567 2.053 -10.544 1.00 0.00 C ATOM 2041 OD1 ASN B1141 -5.434 2.771 -10.091 1.00 0.00 O ATOM 2042 ND2 ASN B1141 -3.448 1.926 -9.859 1.00 0.00 N ATOM 0 H ASN B1141 -2.992 -0.144 -10.765 1.00 0.00 H new ATOM 0 HA ASN B1141 -5.819 -0.346 -11.344 1.00 0.00 H new ATOM 0 HB2 ASN B1141 -3.932 1.592 -12.528 1.00 0.00 H new ATOM 0 HB3 ASN B1141 -5.671 1.695 -12.334 1.00 0.00 H new ATOM 0 HD21 ASN B1141 -3.331 2.424 -8.976 1.00 0.00 H new ATOM 0 HD22 ASN B1141 -2.699 1.330 -10.212 1.00 0.00 H new ATOM 2049 N GLN B1142 -3.403 -1.265 -13.549 1.00 0.00 N ATOM 2050 CA GLN B1142 -2.907 -2.064 -14.630 1.00 0.00 C ATOM 2051 C GLN B1142 -1.564 -2.755 -14.334 1.00 0.00 C ATOM 2052 O GLN B1142 -0.852 -2.335 -13.424 1.00 0.00 O ATOM 2053 CB GLN B1142 -2.579 -1.079 -15.750 1.00 0.00 C ATOM 2054 CG GLN B1142 -3.724 -0.296 -16.435 1.00 0.00 C ATOM 2055 CD GLN B1142 -4.134 1.024 -15.768 1.00 0.00 C ATOM 2056 OE1 GLN B1142 -5.229 1.190 -15.250 1.00 0.00 O ATOM 2057 NE2 GLN B1142 -3.307 2.044 -15.764 1.00 0.00 N ATOM 0 H GLN B1142 -2.627 -0.914 -12.988 1.00 0.00 H new ATOM 0 HA GLN B1142 -3.656 -2.826 -14.846 1.00 0.00 H new ATOM 0 HB2 GLN B1142 -1.879 -0.348 -15.347 1.00 0.00 H new ATOM 0 HB3 GLN B1142 -2.051 -1.632 -16.527 1.00 0.00 H new ATOM 0 HG2 GLN B1142 -3.427 -0.084 -17.462 1.00 0.00 H new ATOM 0 HG3 GLN B1142 -4.600 -0.942 -16.483 1.00 0.00 H new ATOM 0 HE21 GLN B1142 -2.382 1.952 -16.185 1.00 0.00 H new ATOM 0 HE22 GLN B1142 -3.589 2.928 -15.340 1.00 0.00 H new ATOM 2066 N PRO B1143 -1.085 -3.647 -15.219 1.00 0.00 N ATOM 2067 CA PRO B1143 0.344 -3.746 -15.541 1.00 0.00 C ATOM 2068 C PRO B1143 0.849 -2.446 -16.242 1.00 0.00 C ATOM 2069 O PRO B1143 1.328 -2.464 -17.378 1.00 0.00 O ATOM 2070 CB PRO B1143 0.440 -4.997 -16.423 1.00 0.00 C ATOM 2071 CG PRO B1143 -0.871 -4.956 -17.206 1.00 0.00 C ATOM 2072 CD PRO B1143 -1.867 -4.440 -16.168 1.00 0.00 C ATOM 0 HA PRO B1143 0.984 -3.838 -14.664 1.00 0.00 H new ATOM 0 HB2 PRO B1143 1.307 -4.962 -17.083 1.00 0.00 H new ATOM 0 HB3 PRO B1143 0.528 -5.906 -15.828 1.00 0.00 H new ATOM 0 HG2 PRO B1143 -0.806 -4.294 -18.069 1.00 0.00 H new ATOM 0 HG3 PRO B1143 -1.150 -5.941 -17.580 1.00 0.00 H new ATOM 0 HD2 PRO B1143 -2.642 -3.834 -16.638 1.00 0.00 H new ATOM 0 HD3 PRO B1143 -2.370 -5.266 -15.665 1.00 0.00 H new ATOM 2080 N ASP B1144 0.697 -1.321 -15.528 1.00 0.00 N ATOM 2081 CA ASP B1144 0.938 0.092 -15.870 1.00 0.00 C ATOM 2082 C ASP B1144 0.256 0.645 -17.152 1.00 0.00 C ATOM 2083 O ASP B1144 -0.803 1.307 -17.013 1.00 0.00 O ATOM 2084 CB ASP B1144 2.435 0.448 -15.770 1.00 0.00 C ATOM 2085 CG ASP B1144 2.749 1.909 -16.165 1.00 0.00 C ATOM 2086 OD1 ASP B1144 2.189 2.846 -15.544 1.00 0.00 O ATOM 2087 OD2 ASP B1144 3.598 2.132 -17.066 1.00 0.00 O ATOM 2088 OXT ASP B1144 0.778 0.460 -18.277 1.00 0.00 O ATOM 0 H ASP B1144 0.357 -1.389 -14.569 1.00 0.00 H new ATOM 0 HA ASP B1144 0.398 0.637 -15.096 1.00 0.00 H new ATOM 0 HB2 ASP B1144 2.774 0.275 -14.749 1.00 0.00 H new ATOM 0 HB3 ASP B1144 3.004 -0.224 -16.413 1.00 0.00 H new