USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 75 THR OG1 : rot 180:sc= -0.4 USER MOD Set 1.2: A 76 HIS :FLIP no HD1:sc= 0.207 F(o=-1.5,f=-0.19) USER MOD Set 2.1: A 40 HIS : no HD1:sc= -5.81! C(o=-12!,f=-15!) USER MOD Set 2.2: A 60 MET CE :methyl -152:sc= -5.93! (180deg=-6.62!) USER MOD Single : A 21 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.6!) USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.275 K(o=-0.28,f=-2.2!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -73:sc= 1.12 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.15) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 81:sc= 0.265 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0219 USER MOD Single : A 54 SER OG : rot 160:sc= -0.0627 USER MOD Single : A 55 SER OG : rot -92:sc= -1.54! USER MOD Single : A 64 ASN : amide:sc= -0.0734 K(o=-0.073,f=-1.9!) USER MOD Single : A 70 MET CE :methyl 147:sc= -1.27 (180deg=-3.74!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.055) USER MOD Single : A 79 ASN : amide:sc= -0.359 K(o=-0.36,f=-6.5!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 63:sc= 0.791 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc=-0.00272 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.746 F(o=-2.6,f=-0.75) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.884 K(o=-0.88,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 263 N ASN A 21 -0.350 5.993 -5.957 1.00 0.00 N ATOM 264 CA ASN A 21 -0.809 7.268 -5.432 1.00 0.00 C ATOM 265 C ASN A 21 -0.606 7.294 -3.916 1.00 0.00 C ATOM 266 O ASN A 21 0.023 8.208 -3.385 1.00 0.00 O ATOM 267 CB ASN A 21 -2.298 7.475 -5.713 1.00 0.00 C ATOM 268 CG ASN A 21 -2.576 8.908 -6.171 1.00 0.00 C ATOM 269 OD1 ASN A 21 -1.705 9.763 -6.182 1.00 0.00 O ATOM 270 ND2 ASN A 21 -3.833 9.122 -6.548 1.00 0.00 N ATOM 0 HA ASN A 21 -0.237 8.058 -5.918 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.628 6.774 -6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.875 7.259 -4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.118 10.046 -6.871 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.512 8.362 -6.514 1.00 0.00 H new ATOM 277 N TYR A 22 -1.150 6.279 -3.261 1.00 0.00 N ATOM 278 CA TYR A 22 -1.037 6.173 -1.816 1.00 0.00 C ATOM 279 C TYR A 22 -1.412 4.769 -1.338 1.00 0.00 C ATOM 280 O TYR A 22 -2.442 4.228 -1.737 1.00 0.00 O ATOM 281 CB TYR A 22 -2.036 7.179 -1.240 1.00 0.00 C ATOM 282 CG TYR A 22 -3.498 6.856 -1.558 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.160 5.880 -0.841 1.00 0.00 C ATOM 284 CD2 TYR A 22 -4.153 7.539 -2.562 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.536 5.576 -1.140 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.528 7.235 -2.861 1.00 0.00 C ATOM 287 CZ TYR A 22 -6.152 6.268 -2.135 1.00 0.00 C ATOM 288 OH TYR A 22 -7.451 5.981 -2.417 1.00 0.00 O ATOM 0 H TYR A 22 -1.671 5.522 -3.705 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.014 6.370 -1.496 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.911 7.221 -0.158 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.801 8.171 -1.627 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.647 5.344 -0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.634 8.302 -3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.066 4.815 -0.586 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.052 7.763 -3.644 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.902 5.674 -1.603 1.00 0.00 H new ATOM 298 N THR A 23 -0.555 4.219 -0.489 1.00 0.00 N ATOM 299 CA THR A 23 -0.784 2.889 0.048 1.00 0.00 C ATOM 300 C THR A 23 -1.656 2.962 1.302 1.00 0.00 C ATOM 301 O THR A 23 -1.603 3.943 2.042 1.00 0.00 O ATOM 302 CB THR A 23 0.579 2.237 0.292 1.00 0.00 C ATOM 303 OG1 THR A 23 1.374 2.673 -0.807 1.00 0.00 O ATOM 304 CG2 THR A 23 0.536 0.715 0.141 1.00 0.00 C ATOM 0 H THR A 23 0.298 4.671 -0.160 1.00 0.00 H new ATOM 0 HA THR A 23 -1.337 2.268 -0.657 1.00 0.00 H new ATOM 0 HB THR A 23 0.929 2.492 1.292 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.276 2.298 -0.728 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.528 0.303 0.324 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.169 0.298 0.860 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.218 0.458 -0.869 1.00 0.00 H new ATOM 312 N TRP A 24 -2.437 1.911 1.503 1.00 0.00 N ATOM 313 CA TRP A 24 -3.319 1.845 2.656 1.00 0.00 C ATOM 314 C TRP A 24 -3.682 0.377 2.889 1.00 0.00 C ATOM 315 O TRP A 24 -3.519 -0.456 1.999 1.00 0.00 O ATOM 316 CB TRP A 24 -4.545 2.740 2.461 1.00 0.00 C ATOM 317 CG TRP A 24 -5.670 2.087 1.656 1.00 0.00 C ATOM 318 CD1 TRP A 24 -5.858 2.113 0.329 1.00 0.00 C ATOM 319 CD2 TRP A 24 -6.763 1.306 2.183 1.00 0.00 C ATOM 320 NE1 TRP A 24 -6.987 1.409 -0.036 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.555 0.902 1.127 1.00 0.00 C ATOM 322 CE3 TRP A 24 -7.072 0.952 3.508 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.707 0.123 1.287 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.227 0.173 3.651 1.00 0.00 C ATOM 325 CH2 TRP A 24 -9.035 -0.242 2.599 1.00 0.00 C ATOM 0 H TRP A 24 -2.478 1.099 0.887 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.819 2.226 3.546 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.931 3.028 3.439 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.237 3.657 1.958 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.207 2.621 -0.367 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.340 1.284 -0.985 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.467 1.257 4.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.310 -0.180 0.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.510 -0.126 4.649 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.911 -0.843 2.792 1.00 0.00 H new ATOM 336 N SER A 25 -4.168 0.104 4.091 1.00 0.00 N ATOM 337 CA SER A 25 -4.556 -1.249 4.453 1.00 0.00 C ATOM 338 C SER A 25 -5.650 -1.212 5.522 1.00 0.00 C ATOM 339 O SER A 25 -6.019 -0.141 6.000 1.00 0.00 O ATOM 340 CB SER A 25 -3.353 -2.052 4.952 1.00 0.00 C ATOM 341 OG SER A 25 -2.765 -1.467 6.111 1.00 0.00 O ATOM 0 H SER A 25 -4.302 0.797 4.827 1.00 0.00 H new ATOM 0 HA SER A 25 -4.944 -1.743 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.666 -3.071 5.179 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.607 -2.117 4.160 1.00 0.00 H new ATOM 0 HG SER A 25 -2.002 -2.009 6.400 1.00 0.00 H new ATOM 347 N GLN A 26 -6.137 -2.395 5.865 1.00 0.00 N ATOM 348 CA GLN A 26 -7.181 -2.512 6.869 1.00 0.00 C ATOM 349 C GLN A 26 -6.876 -3.670 7.820 1.00 0.00 C ATOM 350 O GLN A 26 -6.913 -4.833 7.421 1.00 0.00 O ATOM 351 CB GLN A 26 -8.553 -2.687 6.215 1.00 0.00 C ATOM 352 CG GLN A 26 -8.465 -3.602 4.992 1.00 0.00 C ATOM 353 CD GLN A 26 -9.617 -4.609 4.977 1.00 0.00 C ATOM 354 OE1 GLN A 26 -10.194 -4.947 5.997 1.00 0.00 O ATOM 355 NE2 GLN A 26 -9.918 -5.068 3.765 1.00 0.00 N ATOM 0 H GLN A 26 -5.828 -3.281 5.466 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.206 -1.589 7.448 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.253 -3.106 6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.945 -1.714 5.918 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.490 -3.002 4.082 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.513 -4.133 4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.395 -4.743 2.952 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.672 -5.745 3.649 1.00 0.00 H new ATOM 364 N ASP A 27 -6.580 -3.312 9.062 1.00 0.00 N ATOM 365 CA ASP A 27 -6.269 -4.308 10.073 1.00 0.00 C ATOM 366 C ASP A 27 -7.087 -4.021 11.334 1.00 0.00 C ATOM 367 O ASP A 27 -7.279 -2.864 11.704 1.00 0.00 O ATOM 368 CB ASP A 27 -4.787 -4.263 10.452 1.00 0.00 C ATOM 369 CG ASP A 27 -3.838 -3.898 9.308 1.00 0.00 C ATOM 370 OD1 ASP A 27 -4.283 -4.006 8.145 1.00 0.00 O ATOM 371 OD2 ASP A 27 -2.689 -3.518 9.623 1.00 0.00 O ATOM 0 H ASP A 27 -6.549 -2.347 9.390 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.508 -5.290 9.664 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.655 -3.541 11.258 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.499 -5.237 10.847 1.00 0.00 H new ATOM 376 N TYR A 28 -7.548 -5.095 11.958 1.00 0.00 N ATOM 377 CA TYR A 28 -8.342 -4.974 13.169 1.00 0.00 C ATOM 378 C TYR A 28 -9.586 -4.117 12.926 1.00 0.00 C ATOM 379 O TYR A 28 -10.667 -4.645 12.667 1.00 0.00 O ATOM 380 CB TYR A 28 -7.446 -4.271 14.192 1.00 0.00 C ATOM 381 CG TYR A 28 -6.797 -5.217 15.204 1.00 0.00 C ATOM 382 CD1 TYR A 28 -6.218 -6.394 14.775 1.00 0.00 C ATOM 383 CD2 TYR A 28 -6.791 -4.893 16.545 1.00 0.00 C ATOM 384 CE1 TYR A 28 -5.607 -7.285 15.728 1.00 0.00 C ATOM 385 CE2 TYR A 28 -6.180 -5.784 17.498 1.00 0.00 C ATOM 386 CZ TYR A 28 -5.618 -6.935 17.042 1.00 0.00 C ATOM 387 OH TYR A 28 -5.041 -7.776 17.942 1.00 0.00 O ATOM 0 H TYR A 28 -7.387 -6.053 11.648 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.676 -5.955 13.508 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.663 -3.729 13.662 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.038 -3.530 14.730 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.223 -6.647 13.725 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.244 -3.972 16.880 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.151 -8.210 15.406 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.169 -5.543 18.551 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.122 -7.397 18.842 1.00 0.00 H new ATOM 397 N THR A 29 -9.393 -2.810 13.017 1.00 0.00 N ATOM 398 CA THR A 29 -10.486 -1.875 12.810 1.00 0.00 C ATOM 399 C THR A 29 -9.948 -0.451 12.653 1.00 0.00 C ATOM 400 O THR A 29 -10.375 0.459 13.360 1.00 0.00 O ATOM 401 CB THR A 29 -11.467 -2.029 13.974 1.00 0.00 C ATOM 402 OG1 THR A 29 -12.339 -0.910 13.843 1.00 0.00 O ATOM 403 CG2 THR A 29 -10.798 -1.823 15.334 1.00 0.00 C ATOM 0 H THR A 29 -8.495 -2.376 13.231 1.00 0.00 H new ATOM 0 HA THR A 29 -11.021 -2.090 11.885 1.00 0.00 H new ATOM 0 HB THR A 29 -11.920 -3.020 13.939 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.864 -0.093 14.103 1.00 0.00 H new ATOM 0 HG21 THR A 29 -11.538 -1.943 16.125 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.004 -2.559 15.464 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.374 -0.820 15.383 1.00 0.00 H new ATOM 411 N ASP A 30 -9.018 -0.304 11.721 1.00 0.00 N ATOM 412 CA ASP A 30 -8.417 0.993 11.462 1.00 0.00 C ATOM 413 C ASP A 30 -7.916 1.040 10.016 1.00 0.00 C ATOM 414 O ASP A 30 -7.798 0.004 9.363 1.00 0.00 O ATOM 415 CB ASP A 30 -7.221 1.241 12.384 1.00 0.00 C ATOM 416 CG ASP A 30 -7.552 1.961 13.692 1.00 0.00 C ATOM 417 OD1 ASP A 30 -8.256 2.991 13.611 1.00 0.00 O ATOM 418 OD2 ASP A 30 -7.094 1.466 14.744 1.00 0.00 O ATOM 0 H ASP A 30 -8.666 -1.062 11.136 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.175 1.756 11.640 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.759 0.283 12.621 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.479 1.827 11.842 1.00 0.00 H new ATOM 423 N LEU A 31 -7.636 2.251 9.559 1.00 0.00 N ATOM 424 CA LEU A 31 -7.152 2.446 8.204 1.00 0.00 C ATOM 425 C LEU A 31 -5.818 3.194 8.246 1.00 0.00 C ATOM 426 O LEU A 31 -5.775 4.374 8.592 1.00 0.00 O ATOM 427 CB LEU A 31 -8.216 3.135 7.347 1.00 0.00 C ATOM 428 CG LEU A 31 -9.629 2.553 7.437 1.00 0.00 C ATOM 429 CD1 LEU A 31 -10.527 3.429 8.313 1.00 0.00 C ATOM 430 CD2 LEU A 31 -10.222 2.336 6.044 1.00 0.00 C ATOM 0 H LEU A 31 -7.735 3.108 10.104 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.965 1.485 7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.259 4.186 7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.895 3.099 6.306 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.567 1.576 7.916 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.525 2.994 8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.109 3.488 9.318 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.588 4.430 7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.226 1.922 6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.270 3.289 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.594 1.643 5.485 1.00 0.00 H new ATOM 442 N GLU A 32 -4.762 2.478 7.889 1.00 0.00 N ATOM 443 CA GLU A 32 -3.430 3.060 7.882 1.00 0.00 C ATOM 444 C GLU A 32 -2.966 3.306 6.445 1.00 0.00 C ATOM 445 O GLU A 32 -2.679 2.361 5.711 1.00 0.00 O ATOM 446 CB GLU A 32 -2.439 2.169 8.633 1.00 0.00 C ATOM 447 CG GLU A 32 -1.935 2.859 9.902 1.00 0.00 C ATOM 448 CD GLU A 32 -1.877 1.876 11.074 1.00 0.00 C ATOM 449 OE1 GLU A 32 -1.400 0.744 10.842 1.00 0.00 O ATOM 450 OE2 GLU A 32 -2.310 2.279 12.175 1.00 0.00 O ATOM 0 H GLU A 32 -4.801 1.500 7.602 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.471 4.019 8.399 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.918 1.225 8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.596 1.930 7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.944 3.277 9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.592 3.692 10.153 1.00 0.00 H new ATOM 457 N VAL A 33 -2.908 4.580 6.086 1.00 0.00 N ATOM 458 CA VAL A 33 -2.483 4.962 4.750 1.00 0.00 C ATOM 459 C VAL A 33 -1.202 5.793 4.844 1.00 0.00 C ATOM 460 O VAL A 33 -1.118 6.722 5.646 1.00 0.00 O ATOM 461 CB VAL A 33 -3.618 5.693 4.029 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.459 6.507 5.015 1.00 0.00 C ATOM 463 CG2 VAL A 33 -3.074 6.581 2.909 1.00 0.00 C ATOM 0 H VAL A 33 -3.148 5.361 6.697 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.254 4.078 4.155 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.266 4.942 3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.258 7.017 4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.891 5.840 5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.827 7.245 5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.901 7.089 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.394 7.321 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.539 5.967 2.185 1.00 0.00 H new ATOM 473 N ARG A 34 -0.236 5.428 4.014 1.00 0.00 N ATOM 474 CA ARG A 34 1.037 6.129 3.994 1.00 0.00 C ATOM 475 C ARG A 34 1.301 6.710 2.604 1.00 0.00 C ATOM 476 O ARG A 34 1.137 6.022 1.598 1.00 0.00 O ATOM 477 CB ARG A 34 2.186 5.193 4.375 1.00 0.00 C ATOM 478 CG ARG A 34 2.405 5.181 5.889 1.00 0.00 C ATOM 479 CD ARG A 34 2.098 3.802 6.477 1.00 0.00 C ATOM 480 NE ARG A 34 3.346 3.166 6.954 1.00 0.00 N ATOM 481 CZ ARG A 34 3.384 2.057 7.706 1.00 0.00 C ATOM 482 NH1 ARG A 34 2.243 1.456 8.071 1.00 0.00 N ATOM 483 NH2 ARG A 34 4.562 1.550 8.092 1.00 0.00 N ATOM 0 H ARG A 34 -0.309 4.657 3.351 1.00 0.00 H new ATOM 0 HA ARG A 34 0.983 6.936 4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.967 4.183 4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.100 5.511 3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.436 5.454 6.113 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.767 5.930 6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.391 3.898 7.301 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.625 3.173 5.723 1.00 0.00 H new ATOM 0 HE ARG A 34 4.233 3.598 6.694 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.346 1.842 7.777 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.271 0.612 8.643 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.430 2.008 7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.591 0.706 8.664 1.00 0.00 H new ATOM 497 N VAL A 35 1.706 7.972 2.592 1.00 0.00 N ATOM 498 CA VAL A 35 1.994 8.654 1.342 1.00 0.00 C ATOM 499 C VAL A 35 3.498 8.917 1.245 1.00 0.00 C ATOM 500 O VAL A 35 4.099 9.456 2.173 1.00 0.00 O ATOM 501 CB VAL A 35 1.156 9.929 1.236 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.369 10.615 -0.115 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.326 9.633 1.474 1.00 0.00 C ATOM 0 H VAL A 35 1.841 8.540 3.428 1.00 0.00 H new ATOM 0 HA VAL A 35 1.718 8.029 0.493 1.00 0.00 H new ATOM 0 HB VAL A 35 1.489 10.614 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.762 11.519 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.421 10.878 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.077 9.937 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.899 10.557 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.679 8.920 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.457 9.211 2.470 1.00 0.00 H new ATOM 513 N PRO A 36 4.078 8.514 0.083 1.00 0.00 N ATOM 514 CA PRO A 36 5.501 8.701 -0.148 1.00 0.00 C ATOM 515 C PRO A 36 5.818 10.166 -0.457 1.00 0.00 C ATOM 516 O PRO A 36 5.090 10.819 -1.202 1.00 0.00 O ATOM 517 CB PRO A 36 5.839 7.765 -1.297 1.00 0.00 C ATOM 518 CG PRO A 36 4.517 7.437 -1.970 1.00 0.00 C ATOM 519 CD PRO A 36 3.398 7.873 -1.039 1.00 0.00 C ATOM 0 HA PRO A 36 6.104 8.467 0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.527 8.239 -1.997 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.327 6.861 -0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.439 7.951 -2.928 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.448 6.369 -2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.716 8.563 -1.536 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.804 7.021 -0.708 1.00 0.00 H new ATOM 527 N VAL A 37 6.906 10.639 0.133 1.00 0.00 N ATOM 528 CA VAL A 37 7.329 12.014 -0.069 1.00 0.00 C ATOM 529 C VAL A 37 8.764 12.029 -0.601 1.00 0.00 C ATOM 530 O VAL A 37 9.503 11.061 -0.431 1.00 0.00 O ATOM 531 CB VAL A 37 7.164 12.809 1.228 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.711 12.784 1.704 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.107 12.287 2.314 1.00 0.00 C ATOM 0 H VAL A 37 7.507 10.094 0.751 1.00 0.00 H new ATOM 0 HA VAL A 37 6.701 12.501 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 37 7.431 13.846 1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.621 13.356 2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.070 13.224 0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.405 11.754 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.970 12.869 3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.885 11.239 2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.139 12.381 1.976 1.00 0.00 H new ATOM 543 N PRO A 38 9.124 13.168 -1.252 1.00 0.00 N ATOM 544 CA PRO A 38 10.457 13.322 -1.810 1.00 0.00 C ATOM 545 C PRO A 38 11.486 13.584 -0.708 1.00 0.00 C ATOM 546 O PRO A 38 11.130 13.698 0.464 1.00 0.00 O ATOM 547 CB PRO A 38 10.340 14.470 -2.798 1.00 0.00 C ATOM 548 CG PRO A 38 9.071 15.217 -2.421 1.00 0.00 C ATOM 549 CD PRO A 38 8.275 14.335 -1.472 1.00 0.00 C ATOM 0 HA PRO A 38 10.811 12.420 -2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.210 15.124 -2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.286 14.100 -3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.314 16.167 -1.945 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.485 15.447 -3.311 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.061 14.852 -0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.316 14.051 -1.905 1.00 0.00 H new ATOM 557 N LYS A 39 12.741 13.672 -1.123 1.00 0.00 N ATOM 558 CA LYS A 39 13.823 13.919 -0.186 1.00 0.00 C ATOM 559 C LYS A 39 13.977 15.427 0.024 1.00 0.00 C ATOM 560 O LYS A 39 14.976 15.882 0.578 1.00 0.00 O ATOM 561 CB LYS A 39 15.106 13.230 -0.655 1.00 0.00 C ATOM 562 CG LYS A 39 14.818 11.809 -1.143 1.00 0.00 C ATOM 563 CD LYS A 39 14.997 10.794 -0.012 1.00 0.00 C ATOM 564 CE LYS A 39 16.123 9.809 -0.332 1.00 0.00 C ATOM 565 NZ LYS A 39 17.442 10.463 -0.182 1.00 0.00 N ATOM 0 H LYS A 39 13.033 13.577 -2.096 1.00 0.00 H new ATOM 0 HA LYS A 39 13.591 13.483 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.561 13.809 -1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.826 13.199 0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.800 11.753 -1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.486 11.561 -1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.220 11.316 0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.066 10.249 0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.060 8.947 0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.009 9.436 -1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.195 9.781 -0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 17.505 11.271 -0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.554 10.798 0.796 1.00 0.00 H new ATOM 579 N HIS A 40 12.971 16.161 -0.431 1.00 0.00 N ATOM 580 CA HIS A 40 12.982 17.608 -0.300 1.00 0.00 C ATOM 581 C HIS A 40 11.867 18.045 0.652 1.00 0.00 C ATOM 582 O HIS A 40 11.741 19.228 0.964 1.00 0.00 O ATOM 583 CB HIS A 40 12.886 18.278 -1.672 1.00 0.00 C ATOM 584 CG HIS A 40 11.490 18.305 -2.246 1.00 0.00 C ATOM 585 ND1 HIS A 40 11.106 17.523 -3.322 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.390 19.026 -1.883 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.831 17.771 -3.586 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.390 18.703 -2.693 1.00 0.00 N ATOM 0 H HIS A 40 12.144 15.780 -0.890 1.00 0.00 H new ATOM 0 HA HIS A 40 13.929 17.931 0.132 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.255 19.301 -1.592 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.543 17.755 -2.367 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.341 19.739 -1.073 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.245 17.315 -4.370 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.446 19.088 -2.654 1.00 0.00 H new ATOM 596 N VAL A 41 11.087 17.067 1.088 1.00 0.00 N ATOM 597 CA VAL A 41 9.988 17.336 1.999 1.00 0.00 C ATOM 598 C VAL A 41 10.382 16.898 3.411 1.00 0.00 C ATOM 599 O VAL A 41 10.506 15.705 3.683 1.00 0.00 O ATOM 600 CB VAL A 41 8.713 16.656 1.496 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.642 16.622 2.588 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.187 17.341 0.233 1.00 0.00 C ATOM 0 H VAL A 41 11.194 16.087 0.827 1.00 0.00 H new ATOM 0 HA VAL A 41 9.777 18.405 2.038 1.00 0.00 H new ATOM 0 HB VAL A 41 8.962 15.626 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.746 16.134 2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.017 16.068 3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.398 17.640 2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.280 16.838 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.963 18.385 0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.943 17.289 -0.551 1.00 0.00 H new ATOM 612 N VAL A 42 10.567 17.887 4.273 1.00 0.00 N ATOM 613 CA VAL A 42 10.945 17.619 5.650 1.00 0.00 C ATOM 614 C VAL A 42 9.993 18.362 6.589 1.00 0.00 C ATOM 615 O VAL A 42 9.580 17.822 7.615 1.00 0.00 O ATOM 616 CB VAL A 42 12.413 17.988 5.872 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.340 17.014 5.142 1.00 0.00 C ATOM 618 CG2 VAL A 42 12.686 19.431 5.443 1.00 0.00 C ATOM 0 H VAL A 42 10.462 18.875 4.044 1.00 0.00 H new ATOM 0 HA VAL A 42 10.855 16.555 5.870 1.00 0.00 H new ATOM 0 HB VAL A 42 12.620 17.911 6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.377 17.299 5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.174 16.004 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.130 17.044 4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.737 19.668 5.611 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.453 19.546 4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.063 20.108 6.027 1.00 0.00 H new ATOM 628 N LYS A 43 9.671 19.588 6.205 1.00 0.00 N ATOM 629 CA LYS A 43 8.775 20.411 7.000 1.00 0.00 C ATOM 630 C LYS A 43 7.330 19.982 6.740 1.00 0.00 C ATOM 631 O LYS A 43 7.027 19.413 5.692 1.00 0.00 O ATOM 632 CB LYS A 43 9.034 21.895 6.735 1.00 0.00 C ATOM 633 CG LYS A 43 9.932 22.497 7.817 1.00 0.00 C ATOM 634 CD LYS A 43 10.111 24.002 7.606 1.00 0.00 C ATOM 635 CE LYS A 43 11.467 24.309 6.966 1.00 0.00 C ATOM 636 NZ LYS A 43 12.103 25.469 7.631 1.00 0.00 N ATOM 0 H LYS A 43 10.015 20.032 5.353 1.00 0.00 H new ATOM 0 HA LYS A 43 8.965 20.264 8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.503 22.017 5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.087 22.433 6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.497 22.313 8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.905 22.006 7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.311 24.381 6.971 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.031 24.519 8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.117 23.437 7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.336 24.518 5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.022 25.664 7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.489 26.303 7.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.246 25.256 8.639 1.00 0.00 H new ATOM 650 N GLY A 44 6.476 20.271 7.710 1.00 0.00 N ATOM 651 CA GLY A 44 5.070 19.923 7.599 1.00 0.00 C ATOM 652 C GLY A 44 4.321 20.935 6.729 1.00 0.00 C ATOM 653 O GLY A 44 3.300 20.606 6.127 1.00 0.00 O ATOM 0 H GLY A 44 6.731 20.743 8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.971 18.926 7.170 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.621 19.889 8.592 1.00 0.00 H new ATOM 657 N LYS A 45 4.858 22.145 6.691 1.00 0.00 N ATOM 658 CA LYS A 45 4.254 23.207 5.905 1.00 0.00 C ATOM 659 C LYS A 45 4.467 22.920 4.417 1.00 0.00 C ATOM 660 O LYS A 45 3.875 23.577 3.563 1.00 0.00 O ATOM 661 CB LYS A 45 4.785 24.572 6.349 1.00 0.00 C ATOM 662 CG LYS A 45 6.180 24.830 5.777 1.00 0.00 C ATOM 663 CD LYS A 45 6.619 26.273 6.034 1.00 0.00 C ATOM 664 CE LYS A 45 7.236 26.419 7.426 1.00 0.00 C ATOM 665 NZ LYS A 45 6.307 27.131 8.332 1.00 0.00 N ATOM 0 H LYS A 45 5.705 22.414 7.192 1.00 0.00 H new ATOM 0 HA LYS A 45 3.178 23.239 6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.103 25.356 6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.821 24.616 7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.895 24.143 6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.180 24.631 4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.343 26.577 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.762 26.940 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.467 25.435 7.833 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.177 26.965 7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.741 27.222 9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.107 28.077 7.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.419 26.595 8.411 1.00 0.00 H new ATOM 679 N GLN A 46 5.316 21.937 4.153 1.00 0.00 N ATOM 680 CA GLN A 46 5.615 21.554 2.784 1.00 0.00 C ATOM 681 C GLN A 46 4.585 20.541 2.279 1.00 0.00 C ATOM 682 O GLN A 46 4.637 20.120 1.124 1.00 0.00 O ATOM 683 CB GLN A 46 7.035 20.996 2.668 1.00 0.00 C ATOM 684 CG GLN A 46 8.069 22.037 3.100 1.00 0.00 C ATOM 685 CD GLN A 46 9.304 21.991 2.197 1.00 0.00 C ATOM 686 OE1 GLN A 46 9.614 22.926 1.477 1.00 0.00 O ATOM 687 NE2 GLN A 46 9.989 20.854 2.276 1.00 0.00 N ATOM 0 H GLN A 46 5.806 21.395 4.864 1.00 0.00 H new ATOM 0 HA GLN A 46 5.558 22.444 2.158 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.131 20.104 3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.227 20.692 1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.625 23.032 3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.363 21.856 4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.674 20.111 2.900 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.830 20.725 1.713 1.00 0.00 H new ATOM 696 N VAL A 47 3.674 20.178 3.169 1.00 0.00 N ATOM 697 CA VAL A 47 2.634 19.222 2.829 1.00 0.00 C ATOM 698 C VAL A 47 1.309 19.674 3.446 1.00 0.00 C ATOM 699 O VAL A 47 1.262 20.052 4.616 1.00 0.00 O ATOM 700 CB VAL A 47 3.050 17.817 3.269 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.734 17.064 2.126 1.00 0.00 C ATOM 702 CG2 VAL A 47 3.949 17.874 4.505 1.00 0.00 C ATOM 0 H VAL A 47 3.634 20.529 4.126 1.00 0.00 H new ATOM 0 HA VAL A 47 2.492 19.181 1.749 1.00 0.00 H new ATOM 0 HB VAL A 47 2.147 17.268 3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.019 16.068 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.046 16.977 1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.624 17.609 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.230 16.862 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.847 18.449 4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.412 18.352 5.324 1.00 0.00 H new ATOM 712 N SER A 48 0.265 19.621 2.632 1.00 0.00 N ATOM 713 CA SER A 48 -1.057 20.021 3.084 1.00 0.00 C ATOM 714 C SER A 48 -1.864 18.788 3.496 1.00 0.00 C ATOM 715 O SER A 48 -2.034 17.861 2.707 1.00 0.00 O ATOM 716 CB SER A 48 -1.798 20.801 1.996 1.00 0.00 C ATOM 717 OG SER A 48 -0.903 21.388 1.056 1.00 0.00 O ATOM 0 H SER A 48 0.308 19.307 1.662 1.00 0.00 H new ATOM 0 HA SER A 48 -0.940 20.676 3.947 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.484 20.133 1.475 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.402 21.582 2.458 1.00 0.00 H new ATOM 0 HG SER A 48 -1.415 21.875 0.377 1.00 0.00 H new ATOM 723 N VAL A 49 -2.340 18.819 4.732 1.00 0.00 N ATOM 724 CA VAL A 49 -3.125 17.715 5.259 1.00 0.00 C ATOM 725 C VAL A 49 -4.442 18.255 5.822 1.00 0.00 C ATOM 726 O VAL A 49 -4.442 19.023 6.783 1.00 0.00 O ATOM 727 CB VAL A 49 -2.308 16.937 6.292 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.171 15.890 6.999 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.080 16.291 5.646 1.00 0.00 C ATOM 0 H VAL A 49 -2.197 19.591 5.384 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.374 17.011 4.465 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.958 17.644 7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.565 15.351 7.728 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.998 16.384 7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.565 15.187 6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.517 15.744 6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.400 15.603 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.448 17.065 5.212 1.00 0.00 H new ATOM 739 N ALA A 50 -5.532 17.831 5.200 1.00 0.00 N ATOM 740 CA ALA A 50 -6.853 18.262 5.628 1.00 0.00 C ATOM 741 C ALA A 50 -7.632 17.055 6.154 1.00 0.00 C ATOM 742 O ALA A 50 -8.048 16.194 5.380 1.00 0.00 O ATOM 743 CB ALA A 50 -7.565 18.954 4.464 1.00 0.00 C ATOM 0 H ALA A 50 -5.528 17.194 4.403 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.778 18.985 6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.556 19.277 4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.985 19.821 4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.662 18.258 3.631 1.00 0.00 H new ATOM 749 N LEU A 51 -7.808 17.031 7.467 1.00 0.00 N ATOM 750 CA LEU A 51 -8.530 15.945 8.106 1.00 0.00 C ATOM 751 C LEU A 51 -10.001 16.337 8.260 1.00 0.00 C ATOM 752 O LEU A 51 -10.312 17.392 8.813 1.00 0.00 O ATOM 753 CB LEU A 51 -7.857 15.555 9.424 1.00 0.00 C ATOM 754 CG LEU A 51 -6.568 14.740 9.302 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.075 14.287 10.678 1.00 0.00 C ATOM 756 CD2 LEU A 51 -6.752 13.563 8.343 1.00 0.00 C ATOM 0 H LEU A 51 -7.463 17.747 8.106 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.501 15.051 7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.636 16.466 9.980 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.570 14.984 10.018 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.796 15.382 8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.158 13.710 10.564 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.879 15.160 11.300 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.837 13.668 11.152 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.821 13.000 8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.543 12.912 8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.023 13.937 7.356 1.00 0.00 H new ATOM 768 N SER A 52 -10.868 15.468 7.761 1.00 0.00 N ATOM 769 CA SER A 52 -12.299 15.711 7.836 1.00 0.00 C ATOM 770 C SER A 52 -13.027 14.427 8.238 1.00 0.00 C ATOM 771 O SER A 52 -12.584 13.328 7.906 1.00 0.00 O ATOM 772 CB SER A 52 -12.839 16.232 6.503 1.00 0.00 C ATOM 773 OG SER A 52 -11.883 17.034 5.816 1.00 0.00 O ATOM 0 H SER A 52 -10.607 14.595 7.303 1.00 0.00 H new ATOM 0 HA SER A 52 -12.478 16.475 8.593 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.124 15.389 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.741 16.817 6.681 1.00 0.00 H new ATOM 0 HG SER A 52 -11.251 16.455 5.342 1.00 0.00 H new ATOM 779 N SER A 53 -14.131 14.608 8.948 1.00 0.00 N ATOM 780 CA SER A 53 -14.924 13.477 9.399 1.00 0.00 C ATOM 781 C SER A 53 -15.230 12.550 8.221 1.00 0.00 C ATOM 782 O SER A 53 -15.389 11.344 8.402 1.00 0.00 O ATOM 783 CB SER A 53 -16.224 13.945 10.058 1.00 0.00 C ATOM 784 OG SER A 53 -16.030 15.114 10.849 1.00 0.00 O ATOM 0 H SER A 53 -14.495 15.521 9.222 1.00 0.00 H new ATOM 0 HA SER A 53 -14.347 12.929 10.144 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.968 14.148 9.288 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.622 13.146 10.683 1.00 0.00 H new ATOM 0 HG SER A 53 -16.883 15.382 11.251 1.00 0.00 H new ATOM 790 N SER A 54 -15.304 13.148 7.042 1.00 0.00 N ATOM 791 CA SER A 54 -15.588 12.391 5.835 1.00 0.00 C ATOM 792 C SER A 54 -14.916 13.053 4.630 1.00 0.00 C ATOM 793 O SER A 54 -15.591 13.474 3.692 1.00 0.00 O ATOM 794 CB SER A 54 -17.096 12.271 5.602 1.00 0.00 C ATOM 795 OG SER A 54 -17.782 13.479 5.919 1.00 0.00 O ATOM 0 H SER A 54 -15.172 14.149 6.896 1.00 0.00 H new ATOM 0 HA SER A 54 -15.185 11.386 5.960 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.282 12.011 4.560 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.493 11.458 6.210 1.00 0.00 H new ATOM 0 HG SER A 54 -18.654 13.487 5.473 1.00 0.00 H new ATOM 801 N SER A 55 -13.595 13.126 4.697 1.00 0.00 N ATOM 802 CA SER A 55 -12.824 13.730 3.623 1.00 0.00 C ATOM 803 C SER A 55 -11.376 13.939 4.072 1.00 0.00 C ATOM 804 O SER A 55 -11.127 14.343 5.207 1.00 0.00 O ATOM 805 CB SER A 55 -13.440 15.059 3.183 1.00 0.00 C ATOM 806 OG SER A 55 -14.418 15.527 4.109 1.00 0.00 O ATOM 0 H SER A 55 -13.039 12.777 5.478 1.00 0.00 H new ATOM 0 HA SER A 55 -12.839 13.053 2.769 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.653 15.806 3.078 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.898 14.939 2.201 1.00 0.00 H new ATOM 0 HG SER A 55 -15.304 15.206 3.839 1.00 0.00 H new ATOM 812 N ILE A 56 -10.460 13.654 3.159 1.00 0.00 N ATOM 813 CA ILE A 56 -9.044 13.806 3.447 1.00 0.00 C ATOM 814 C ILE A 56 -8.356 14.483 2.260 1.00 0.00 C ATOM 815 O ILE A 56 -8.772 14.309 1.115 1.00 0.00 O ATOM 816 CB ILE A 56 -8.427 12.459 3.828 1.00 0.00 C ATOM 817 CG1 ILE A 56 -7.038 12.645 4.442 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.401 11.509 2.629 1.00 0.00 C ATOM 819 CD1 ILE A 56 -6.008 13.004 3.369 1.00 0.00 C ATOM 0 H ILE A 56 -10.671 13.319 2.219 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.899 14.453 4.312 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.056 11.999 4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.072 13.431 5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.735 11.729 4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.958 10.559 2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.419 11.340 2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.808 11.950 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.029 13.131 3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.959 12.204 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.301 13.933 2.880 1.00 0.00 H new ATOM 831 N ARG A 57 -7.315 15.241 2.573 1.00 0.00 N ATOM 832 CA ARG A 57 -6.566 15.945 1.546 1.00 0.00 C ATOM 833 C ARG A 57 -5.063 15.818 1.805 1.00 0.00 C ATOM 834 O ARG A 57 -4.596 16.081 2.912 1.00 0.00 O ATOM 835 CB ARG A 57 -6.946 17.426 1.505 1.00 0.00 C ATOM 836 CG ARG A 57 -6.788 17.994 0.093 1.00 0.00 C ATOM 837 CD ARG A 57 -5.951 19.274 0.107 1.00 0.00 C ATOM 838 NE ARG A 57 -6.192 20.051 -1.129 1.00 0.00 N ATOM 839 CZ ARG A 57 -5.355 20.981 -1.607 1.00 0.00 C ATOM 840 NH1 ARG A 57 -4.217 21.257 -0.955 1.00 0.00 N ATOM 841 NH2 ARG A 57 -5.655 21.636 -2.737 1.00 0.00 N ATOM 0 H ARG A 57 -6.973 15.383 3.523 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.813 15.492 0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.977 17.550 1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.318 17.986 2.198 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.314 17.252 -0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.770 18.202 -0.331 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.206 19.875 0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.893 19.025 0.189 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.049 19.867 -1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.988 20.759 -0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.580 21.965 -1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.521 21.426 -3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.017 22.344 -3.101 1.00 0.00 H new ATOM 855 N VAL A 58 -4.348 15.415 0.765 1.00 0.00 N ATOM 856 CA VAL A 58 -2.908 15.251 0.866 1.00 0.00 C ATOM 857 C VAL A 58 -2.237 15.923 -0.334 1.00 0.00 C ATOM 858 O VAL A 58 -2.660 15.734 -1.473 1.00 0.00 O ATOM 859 CB VAL A 58 -2.558 13.767 0.992 1.00 0.00 C ATOM 860 CG1 VAL A 58 -1.043 13.557 0.980 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.186 13.160 2.248 1.00 0.00 C ATOM 0 H VAL A 58 -4.739 15.197 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.530 15.738 1.765 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.974 13.251 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.822 12.493 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.631 13.934 0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.595 14.093 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.922 12.105 2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.814 13.682 3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.270 13.260 2.197 1.00 0.00 H new ATOM 871 N ALA A 59 -1.201 16.694 -0.037 1.00 0.00 N ATOM 872 CA ALA A 59 -0.468 17.396 -1.076 1.00 0.00 C ATOM 873 C ALA A 59 0.922 17.766 -0.553 1.00 0.00 C ATOM 874 O ALA A 59 1.099 17.990 0.644 1.00 0.00 O ATOM 875 CB ALA A 59 -1.266 18.620 -1.528 1.00 0.00 C ATOM 0 H ALA A 59 -0.852 16.848 0.909 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.333 16.756 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.715 19.146 -2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.232 18.300 -1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.421 19.287 -0.680 1.00 0.00 H new ATOM 881 N MET A 60 1.872 17.820 -1.475 1.00 0.00 N ATOM 882 CA MET A 60 3.239 18.159 -1.121 1.00 0.00 C ATOM 883 C MET A 60 3.768 19.293 -2.002 1.00 0.00 C ATOM 884 O MET A 60 3.623 19.255 -3.223 1.00 0.00 O ATOM 885 CB MET A 60 4.130 16.927 -1.286 1.00 0.00 C ATOM 886 CG MET A 60 4.020 16.355 -2.701 1.00 0.00 C ATOM 887 SD MET A 60 5.645 15.973 -3.334 1.00 0.00 S ATOM 888 CE MET A 60 6.404 17.586 -3.232 1.00 0.00 C ATOM 0 H MET A 60 1.722 17.635 -2.467 1.00 0.00 H new ATOM 0 HA MET A 60 3.254 18.492 -0.083 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.166 17.193 -1.077 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.843 16.167 -0.559 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.404 15.456 -2.692 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.526 17.073 -3.355 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.178 17.673 -3.994 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.648 18.355 -3.393 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.850 17.717 -2.246 1.00 0.00 H new ATOM 898 N LEU A 61 4.370 20.276 -1.349 1.00 0.00 N ATOM 899 CA LEU A 61 4.921 21.418 -2.057 1.00 0.00 C ATOM 900 C LEU A 61 6.032 20.944 -2.996 1.00 0.00 C ATOM 901 O LEU A 61 6.845 20.098 -2.624 1.00 0.00 O ATOM 902 CB LEU A 61 5.370 22.496 -1.069 1.00 0.00 C ATOM 903 CG LEU A 61 4.257 23.186 -0.277 1.00 0.00 C ATOM 904 CD1 LEU A 61 4.709 24.559 0.222 1.00 0.00 C ATOM 905 CD2 LEU A 61 2.970 23.270 -1.100 1.00 0.00 C ATOM 0 H LEU A 61 4.488 20.305 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 61 4.156 21.885 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.066 22.045 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.923 23.257 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 61 4.038 22.581 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.899 25.027 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.578 24.443 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.972 25.187 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.195 23.764 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.157 23.840 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.640 22.265 -1.363 1.00 0.00 H new ATOM 917 N GLU A 62 6.033 21.508 -4.194 1.00 0.00 N ATOM 918 CA GLU A 62 7.031 21.153 -5.189 1.00 0.00 C ATOM 919 C GLU A 62 8.041 22.290 -5.356 1.00 0.00 C ATOM 920 O GLU A 62 7.995 23.278 -4.625 1.00 0.00 O ATOM 921 CB GLU A 62 6.373 20.804 -6.525 1.00 0.00 C ATOM 922 CG GLU A 62 5.761 19.402 -6.486 1.00 0.00 C ATOM 923 CD GLU A 62 6.674 18.385 -7.174 1.00 0.00 C ATOM 924 OE1 GLU A 62 6.873 18.538 -8.398 1.00 0.00 O ATOM 925 OE2 GLU A 62 7.153 17.478 -6.459 1.00 0.00 O ATOM 0 H GLU A 62 5.358 22.209 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 62 7.564 20.268 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.599 21.536 -6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.112 20.860 -7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.593 19.103 -5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.788 19.413 -6.977 1.00 0.00 H new ATOM 932 N GLU A 63 8.930 22.111 -6.322 1.00 0.00 N ATOM 933 CA GLU A 63 9.951 23.109 -6.594 1.00 0.00 C ATOM 934 C GLU A 63 9.314 24.377 -7.167 1.00 0.00 C ATOM 935 O GLU A 63 9.783 25.484 -6.907 1.00 0.00 O ATOM 936 CB GLU A 63 11.020 22.557 -7.539 1.00 0.00 C ATOM 937 CG GLU A 63 11.890 21.515 -6.834 1.00 0.00 C ATOM 938 CD GLU A 63 13.268 21.415 -7.492 1.00 0.00 C ATOM 939 OE1 GLU A 63 13.305 20.997 -8.669 1.00 0.00 O ATOM 940 OE2 GLU A 63 14.253 21.760 -6.803 1.00 0.00 O ATOM 0 H GLU A 63 8.965 21.290 -6.926 1.00 0.00 H new ATOM 0 HA GLU A 63 10.441 23.364 -5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.543 22.108 -8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.645 23.372 -7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.003 21.782 -5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.397 20.543 -6.865 1.00 0.00 H new ATOM 947 N ASN A 64 8.254 24.173 -7.936 1.00 0.00 N ATOM 948 CA ASN A 64 7.548 25.285 -8.548 1.00 0.00 C ATOM 949 C ASN A 64 6.041 25.073 -8.396 1.00 0.00 C ATOM 950 O ASN A 64 5.312 25.038 -9.386 1.00 0.00 O ATOM 951 CB ASN A 64 7.863 25.383 -10.042 1.00 0.00 C ATOM 952 CG ASN A 64 7.759 26.829 -10.531 1.00 0.00 C ATOM 953 OD1 ASN A 64 7.535 27.755 -9.768 1.00 0.00 O ATOM 954 ND2 ASN A 64 7.932 26.970 -11.842 1.00 0.00 N ATOM 0 H ASN A 64 7.867 23.253 -8.149 1.00 0.00 H new ATOM 0 HA ASN A 64 7.868 26.201 -8.051 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.867 25.003 -10.231 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.173 24.755 -10.605 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.880 27.896 -12.267 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.116 26.152 -12.423 1.00 0.00 H new ATOM 961 N GLY A 65 5.618 24.935 -7.148 1.00 0.00 N ATOM 962 CA GLY A 65 4.210 24.727 -6.853 1.00 0.00 C ATOM 963 C GLY A 65 4.023 23.593 -5.843 1.00 0.00 C ATOM 964 O GLY A 65 4.735 23.524 -4.843 1.00 0.00 O ATOM 0 H GLY A 65 6.226 24.963 -6.329 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.778 25.646 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.673 24.492 -7.772 1.00 0.00 H new ATOM 968 N GLU A 66 3.062 22.731 -6.141 1.00 0.00 N ATOM 969 CA GLU A 66 2.772 21.603 -5.271 1.00 0.00 C ATOM 970 C GLU A 66 2.031 20.512 -6.047 1.00 0.00 C ATOM 971 O GLU A 66 1.747 20.672 -7.233 1.00 0.00 O ATOM 972 CB GLU A 66 1.970 22.047 -4.046 1.00 0.00 C ATOM 973 CG GLU A 66 0.496 22.251 -4.401 1.00 0.00 C ATOM 974 CD GLU A 66 0.347 23.157 -5.626 1.00 0.00 C ATOM 975 OE1 GLU A 66 0.436 24.389 -5.434 1.00 0.00 O ATOM 976 OE2 GLU A 66 0.148 22.597 -6.725 1.00 0.00 O ATOM 0 H GLU A 66 2.474 22.791 -6.972 1.00 0.00 H new ATOM 0 HA GLU A 66 3.716 21.191 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.058 21.299 -3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.385 22.975 -3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.029 21.286 -4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.029 22.691 -3.553 1.00 0.00 H new ATOM 983 N ARG A 67 1.739 19.427 -5.345 1.00 0.00 N ATOM 984 CA ARG A 67 1.037 18.309 -5.952 1.00 0.00 C ATOM 985 C ARG A 67 0.187 17.584 -4.906 1.00 0.00 C ATOM 986 O ARG A 67 0.592 17.459 -3.752 1.00 0.00 O ATOM 987 CB ARG A 67 2.018 17.317 -6.579 1.00 0.00 C ATOM 988 CG ARG A 67 1.282 16.099 -7.141 1.00 0.00 C ATOM 989 CD ARG A 67 2.069 15.465 -8.290 1.00 0.00 C ATOM 990 NE ARG A 67 1.193 15.296 -9.471 1.00 0.00 N ATOM 991 CZ ARG A 67 0.727 16.310 -10.212 1.00 0.00 C ATOM 992 NH1 ARG A 67 1.051 17.572 -9.899 1.00 0.00 N ATOM 993 NH2 ARG A 67 -0.062 16.063 -11.267 1.00 0.00 N ATOM 0 H ARG A 67 1.976 19.298 -4.361 1.00 0.00 H new ATOM 0 HA ARG A 67 0.392 18.709 -6.735 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.578 17.808 -7.375 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.743 16.995 -5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.131 15.364 -6.350 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.294 16.397 -7.493 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.922 16.092 -8.547 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.466 14.498 -7.980 1.00 0.00 H new ATOM 0 HE ARG A 67 0.927 14.348 -9.737 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.652 17.760 -9.097 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.696 18.344 -10.463 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.308 15.102 -11.506 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.416 16.836 -11.831 1.00 0.00 H new ATOM 1007 N VAL A 68 -0.975 17.126 -5.349 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.884 16.417 -4.465 1.00 0.00 C ATOM 1009 C VAL A 68 -1.646 14.911 -4.596 1.00 0.00 C ATOM 1010 O VAL A 68 -2.148 14.278 -5.524 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.329 16.822 -4.766 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.306 16.098 -3.839 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.504 18.339 -4.671 1.00 0.00 C ATOM 0 H VAL A 68 -1.307 17.232 -6.307 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.694 16.687 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.555 16.522 -5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.325 16.404 -4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.209 15.021 -3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.081 16.352 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.539 18.600 -4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.250 18.672 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.847 18.827 -5.391 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.880 14.381 -3.654 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.569 12.962 -3.653 1.00 0.00 C ATOM 1025 C LEU A 69 -1.862 12.161 -3.480 1.00 0.00 C ATOM 1026 O LEU A 69 -2.160 11.276 -4.281 1.00 0.00 O ATOM 1027 CB LEU A 69 0.494 12.647 -2.599 1.00 0.00 C ATOM 1028 CG LEU A 69 1.727 13.553 -2.600 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.648 13.226 -1.422 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.462 13.479 -3.940 1.00 0.00 C ATOM 0 H LEU A 69 -0.465 14.909 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.135 12.667 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.029 12.701 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.824 11.618 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 69 1.394 14.583 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.517 13.884 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.108 13.372 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.976 12.189 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.334 14.132 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.783 12.453 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.794 13.798 -4.740 1.00 0.00 H new ATOM 1042 N MET A 70 -2.595 12.501 -2.430 1.00 0.00 N ATOM 1043 CA MET A 70 -3.848 11.825 -2.142 1.00 0.00 C ATOM 1044 C MET A 70 -4.924 12.824 -1.714 1.00 0.00 C ATOM 1045 O MET A 70 -4.611 13.898 -1.202 1.00 0.00 O ATOM 1046 CB MET A 70 -3.631 10.799 -1.027 1.00 0.00 C ATOM 1047 CG MET A 70 -4.950 10.134 -0.630 1.00 0.00 C ATOM 1048 SD MET A 70 -4.659 8.910 0.636 1.00 0.00 S ATOM 1049 CE MET A 70 -6.302 8.229 0.792 1.00 0.00 C ATOM 0 H MET A 70 -2.345 13.236 -1.768 1.00 0.00 H new ATOM 0 HA MET A 70 -4.185 11.323 -3.049 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.922 10.040 -1.359 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.190 11.288 -0.158 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.651 10.886 -0.267 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.408 9.666 -1.502 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.235 7.169 1.037 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.839 8.751 1.584 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.837 8.350 -0.150 1.00 0.00 H new ATOM 1059 N GLU A 71 -6.171 12.436 -1.940 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.295 13.284 -1.584 1.00 0.00 C ATOM 1061 C GLU A 71 -8.594 12.711 -2.155 1.00 0.00 C ATOM 1062 O GLU A 71 -8.573 11.984 -3.146 1.00 0.00 O ATOM 1063 CB GLU A 71 -7.072 14.720 -2.064 1.00 0.00 C ATOM 1064 CG GLU A 71 -8.387 15.502 -2.084 1.00 0.00 C ATOM 1065 CD GLU A 71 -8.173 16.921 -2.616 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -6.993 17.279 -2.818 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -9.195 17.614 -2.809 1.00 0.00 O ATOM 0 H GLU A 71 -6.427 11.545 -2.366 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.378 13.307 -0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.358 15.219 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.636 14.710 -3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.114 14.982 -2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.803 15.546 -1.078 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.694 13.060 -1.503 1.00 0.00 N ATOM 1075 CA GLY A 72 -11.000 12.590 -1.933 1.00 0.00 C ATOM 1076 C GLY A 72 -11.936 12.402 -0.738 1.00 0.00 C ATOM 1077 O GLY A 72 -11.480 12.273 0.398 1.00 0.00 O ATOM 0 H GLY A 72 -9.707 13.663 -0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.436 13.304 -2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.893 11.646 -2.468 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.227 12.394 -1.034 1.00 0.00 N ATOM 1082 CA LYS A 73 -14.231 12.225 0.003 1.00 0.00 C ATOM 1083 C LYS A 73 -14.281 10.755 0.423 1.00 0.00 C ATOM 1084 O LYS A 73 -14.537 9.878 -0.400 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.580 12.777 -0.463 1.00 0.00 C ATOM 1086 CG LYS A 73 -16.166 11.919 -1.587 1.00 0.00 C ATOM 1087 CD LYS A 73 -16.670 12.793 -2.737 1.00 0.00 C ATOM 1088 CE LYS A 73 -16.976 11.946 -3.974 1.00 0.00 C ATOM 1089 NZ LYS A 73 -18.386 11.498 -3.960 1.00 0.00 N ATOM 0 H LYS A 73 -13.601 12.502 -1.977 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.965 12.802 0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -16.274 12.806 0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.457 13.803 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.407 11.228 -1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.986 11.314 -1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -17.568 13.327 -2.426 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.920 13.545 -2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.782 12.526 -4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.314 11.081 -4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.576 10.925 -4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.560 10.927 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -19.014 12.327 -3.955 1.00 0.00 H new ATOM 1103 N LEU A 74 -14.032 10.530 1.705 1.00 0.00 N ATOM 1104 CA LEU A 74 -14.046 9.181 2.245 1.00 0.00 C ATOM 1105 C LEU A 74 -15.415 8.548 1.991 1.00 0.00 C ATOM 1106 O LEU A 74 -16.377 9.247 1.675 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.636 9.191 3.720 1.00 0.00 C ATOM 1108 CG LEU A 74 -12.190 9.596 4.012 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -12.010 9.958 5.487 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -11.214 8.505 3.566 1.00 0.00 C ATOM 0 H LEU A 74 -13.819 11.259 2.385 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.309 8.559 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.298 9.871 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.803 8.195 4.130 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.961 10.489 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.973 10.242 5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.664 10.792 5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.264 9.098 6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.193 8.818 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.432 7.581 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.320 8.338 2.494 1.00 0.00 H new ATOM 1122 N THR A 75 -15.459 7.232 2.139 1.00 0.00 N ATOM 1123 CA THR A 75 -16.695 6.497 1.929 1.00 0.00 C ATOM 1124 C THR A 75 -17.663 6.740 3.088 1.00 0.00 C ATOM 1125 O THR A 75 -18.842 7.018 2.870 1.00 0.00 O ATOM 1126 CB THR A 75 -16.340 5.022 1.733 1.00 0.00 C ATOM 1127 OG1 THR A 75 -15.996 4.571 3.040 1.00 0.00 O ATOM 1128 CG2 THR A 75 -15.056 4.831 0.923 1.00 0.00 C ATOM 0 H THR A 75 -14.659 6.656 2.402 1.00 0.00 H new ATOM 0 HA THR A 75 -17.214 6.843 1.035 1.00 0.00 H new ATOM 0 HB THR A 75 -17.164 4.514 1.232 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.754 3.622 3.005 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.850 3.766 0.813 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.177 5.281 -0.063 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.225 5.310 1.440 1.00 0.00 H new ATOM 1136 N HIS A 76 -17.131 6.626 4.296 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.933 6.830 5.490 1.00 0.00 C ATOM 1138 C HIS A 76 -17.244 7.845 6.404 1.00 0.00 C ATOM 1139 O HIS A 76 -16.127 8.279 6.126 1.00 0.00 O ATOM 1140 CB HIS A 76 -18.215 5.498 6.189 1.00 0.00 C ATOM 1141 CG HIS A 76 -19.174 4.603 5.441 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -20.531 4.487 5.521 1.00 0.00 N flip ATOM 1143 CD2 HIS A 76 -18.760 3.694 4.484 1.00 0.00 C flip ATOM 1144 CE1 HIS A 76 -20.924 3.558 4.658 1.00 0.00 C flip ATOM 1145 NE2 HIS A 76 -19.828 3.065 4.014 1.00 0.00 N flip ATOM 0 H HIS A 76 -16.154 6.395 4.473 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.904 7.242 5.214 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -17.274 4.967 6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -18.620 5.698 7.181 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.740 3.525 4.173 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.944 3.244 4.493 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -19.830 2.340 3.297 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.939 8.194 7.477 1.00 0.00 N ATOM 1154 CA LYS A 77 -17.408 9.150 8.434 1.00 0.00 C ATOM 1155 C LYS A 77 -16.250 8.508 9.201 1.00 0.00 C ATOM 1156 O LYS A 77 -16.035 7.301 9.110 1.00 0.00 O ATOM 1157 CB LYS A 77 -18.524 9.681 9.336 1.00 0.00 C ATOM 1158 CG LYS A 77 -19.373 10.723 8.603 1.00 0.00 C ATOM 1159 CD LYS A 77 -19.106 12.128 9.146 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.021 13.156 8.479 1.00 0.00 C ATOM 1161 NZ LYS A 77 -19.926 14.461 9.171 1.00 0.00 N ATOM 0 H LYS A 77 -18.865 7.832 7.705 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.005 10.021 7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.157 8.855 9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.092 10.125 10.233 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.151 10.693 7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.430 10.481 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.264 12.141 10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -18.064 12.397 8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.744 13.272 7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.052 12.801 8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.649 15.107 8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.080 14.325 10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.982 14.869 9.015 1.00 0.00 H new ATOM 1175 N ILE A 78 -15.536 9.345 9.939 1.00 0.00 N ATOM 1176 CA ILE A 78 -14.406 8.874 10.721 1.00 0.00 C ATOM 1177 C ILE A 78 -14.311 9.688 12.013 1.00 0.00 C ATOM 1178 O ILE A 78 -15.243 10.408 12.368 1.00 0.00 O ATOM 1179 CB ILE A 78 -13.126 8.900 9.883 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.741 10.334 9.513 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -13.261 8.007 8.648 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.604 10.843 10.401 1.00 0.00 C ATOM 0 H ILE A 78 -15.718 10.346 10.012 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.550 7.833 11.009 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.315 8.494 10.487 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.436 10.374 8.467 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.608 10.986 9.618 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.338 8.044 8.070 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -13.453 6.981 8.960 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -14.089 8.360 8.033 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.350 11.864 10.117 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.921 10.824 11.444 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.730 10.203 10.276 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.175 9.547 12.682 1.00 0.00 N ATOM 1195 CA ASN A 79 -12.947 10.260 13.927 1.00 0.00 C ATOM 1196 C ASN A 79 -11.714 11.155 13.778 1.00 0.00 C ATOM 1197 O ASN A 79 -10.597 10.732 14.071 1.00 0.00 O ATOM 1198 CB ASN A 79 -12.688 9.288 15.079 1.00 0.00 C ATOM 1199 CG ASN A 79 -13.161 9.877 16.410 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -12.597 10.822 16.936 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.226 9.267 16.924 1.00 0.00 N ATOM 0 H ASN A 79 -12.403 8.950 12.385 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.837 10.850 14.146 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.205 8.347 14.889 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.623 9.061 15.136 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.618 9.586 17.810 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.650 8.481 16.432 1.00 0.00 H new ATOM 1208 N THR A 80 -11.959 12.375 13.323 1.00 0.00 N ATOM 1209 CA THR A 80 -10.884 13.333 13.132 1.00 0.00 C ATOM 1210 C THR A 80 -10.205 13.646 14.467 1.00 0.00 C ATOM 1211 O THR A 80 -9.044 14.051 14.497 1.00 0.00 O ATOM 1212 CB THR A 80 -11.467 14.568 12.443 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.568 14.938 13.268 1.00 0.00 O ATOM 1214 CG2 THR A 80 -12.107 14.237 11.093 1.00 0.00 C ATOM 0 H THR A 80 -12.887 12.722 13.081 1.00 0.00 H new ATOM 0 HA THR A 80 -10.101 12.926 12.492 1.00 0.00 H new ATOM 0 HB THR A 80 -10.681 15.309 12.300 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.004 15.733 12.895 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.505 15.148 10.646 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.356 13.806 10.430 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.916 13.521 11.240 1.00 0.00 H new ATOM 1222 N GLU A 81 -10.958 13.446 15.539 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.444 13.702 16.873 1.00 0.00 C ATOM 1224 C GLU A 81 -9.392 12.655 17.247 1.00 0.00 C ATOM 1225 O GLU A 81 -8.281 13.001 17.646 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.577 13.732 17.901 1.00 0.00 C ATOM 1227 CG GLU A 81 -12.459 14.967 17.708 1.00 0.00 C ATOM 1228 CD GLU A 81 -13.322 15.223 18.945 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -14.012 14.268 19.363 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -13.272 16.367 19.446 1.00 0.00 O ATOM 0 H GLU A 81 -11.920 13.109 15.510 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.969 14.683 16.876 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.182 12.830 17.807 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.160 13.732 18.908 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.834 15.838 17.510 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.099 14.829 16.836 1.00 0.00 H new ATOM 1237 N SER A 82 -9.780 11.396 17.103 1.00 0.00 N ATOM 1238 CA SER A 82 -8.885 10.297 17.421 1.00 0.00 C ATOM 1239 C SER A 82 -7.825 10.152 16.327 1.00 0.00 C ATOM 1240 O SER A 82 -6.701 9.732 16.598 1.00 0.00 O ATOM 1241 CB SER A 82 -9.658 8.987 17.587 1.00 0.00 C ATOM 1242 OG SER A 82 -10.336 8.922 18.838 1.00 0.00 O ATOM 0 H SER A 82 -10.702 11.113 16.770 1.00 0.00 H new ATOM 0 HA SER A 82 -8.393 10.520 18.368 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.381 8.888 16.777 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.969 8.147 17.504 1.00 0.00 H new ATOM 0 HG SER A 82 -10.819 8.072 18.905 1.00 0.00 H new ATOM 1248 N SER A 83 -8.221 10.509 15.113 1.00 0.00 N ATOM 1249 CA SER A 83 -7.319 10.424 13.977 1.00 0.00 C ATOM 1250 C SER A 83 -6.145 11.386 14.169 1.00 0.00 C ATOM 1251 O SER A 83 -6.226 12.320 14.965 1.00 0.00 O ATOM 1252 CB SER A 83 -8.050 10.733 12.669 1.00 0.00 C ATOM 1253 OG SER A 83 -9.015 9.734 12.348 1.00 0.00 O ATOM 0 H SER A 83 -9.154 10.857 14.892 1.00 0.00 H new ATOM 0 HA SER A 83 -6.939 9.404 13.917 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.544 11.701 12.750 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.325 10.811 11.858 1.00 0.00 H new ATOM 0 HG SER A 83 -9.702 9.707 13.046 1.00 0.00 H new ATOM 1259 N LEU A 84 -5.080 11.124 13.425 1.00 0.00 N ATOM 1260 CA LEU A 84 -3.890 11.955 13.503 1.00 0.00 C ATOM 1261 C LEU A 84 -3.154 11.911 12.163 1.00 0.00 C ATOM 1262 O LEU A 84 -3.587 11.230 11.234 1.00 0.00 O ATOM 1263 CB LEU A 84 -3.024 11.540 14.694 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.815 10.036 14.881 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -2.054 9.438 13.696 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -2.126 9.739 16.214 1.00 0.00 C ATOM 0 H LEU A 84 -5.016 10.348 12.766 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.163 12.995 13.683 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.047 12.012 14.589 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.475 11.939 15.602 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.793 9.556 14.911 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.918 8.368 13.853 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.621 9.601 12.780 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.079 9.918 13.610 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.990 8.663 16.321 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.154 10.232 16.239 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.742 10.110 17.033 1.00 0.00 H new ATOM 1278 N TRP A 85 -2.052 12.645 12.104 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.252 12.698 10.893 1.00 0.00 C ATOM 1280 C TRP A 85 0.113 13.289 11.254 1.00 0.00 C ATOM 1281 O TRP A 85 0.193 14.396 11.784 1.00 0.00 O ATOM 1282 CB TRP A 85 -1.971 13.482 9.794 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.468 14.917 9.622 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -1.947 16.033 10.189 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.362 15.348 8.801 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.233 17.147 9.796 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.239 16.717 8.925 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.506 14.605 7.982 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.741 17.462 8.257 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.479 15.364 7.321 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.617 16.743 7.435 1.00 0.00 C ATOM 0 H TRP A 85 -1.695 13.208 12.876 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.102 11.698 10.486 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.855 12.952 8.849 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -3.038 13.506 10.018 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -2.786 16.058 10.868 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.403 18.109 10.091 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.428 13.533 7.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.817 18.533 8.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.171 14.842 6.677 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.396 17.257 6.892 1.00 0.00 H new ATOM 1302 N SER A 86 1.152 12.524 10.951 1.00 0.00 N ATOM 1303 CA SER A 86 2.509 12.958 11.237 1.00 0.00 C ATOM 1304 C SER A 86 3.348 12.930 9.958 1.00 0.00 C ATOM 1305 O SER A 86 3.375 11.923 9.252 1.00 0.00 O ATOM 1306 CB SER A 86 3.152 12.082 12.314 1.00 0.00 C ATOM 1307 OG SER A 86 2.493 12.210 13.571 1.00 0.00 O ATOM 0 H SER A 86 1.081 11.607 10.511 1.00 0.00 H new ATOM 0 HA SER A 86 2.469 13.980 11.615 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.127 11.040 11.996 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.201 12.356 12.425 1.00 0.00 H new ATOM 0 HG SER A 86 2.932 11.634 14.231 1.00 0.00 H new ATOM 1313 N LEU A 87 4.012 14.047 9.699 1.00 0.00 N ATOM 1314 CA LEU A 87 4.849 14.162 8.517 1.00 0.00 C ATOM 1315 C LEU A 87 6.269 13.705 8.857 1.00 0.00 C ATOM 1316 O LEU A 87 6.775 13.993 9.940 1.00 0.00 O ATOM 1317 CB LEU A 87 4.780 15.581 7.947 1.00 0.00 C ATOM 1318 CG LEU A 87 5.820 15.926 6.880 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.165 16.277 7.518 1.00 0.00 C ATOM 1320 CD2 LEU A 87 5.948 14.799 5.854 1.00 0.00 C ATOM 0 H LEU A 87 3.987 14.880 10.287 1.00 0.00 H new ATOM 0 HA LEU A 87 4.483 13.507 7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.788 15.733 7.522 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.885 16.288 8.770 1.00 0.00 H new ATOM 0 HG LEU A 87 5.478 16.811 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.886 16.518 6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.042 17.137 8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.527 15.426 8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.694 15.070 5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.255 13.882 6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.986 14.640 5.366 1.00 0.00 H new ATOM 1332 N GLU A 88 6.872 13.000 7.910 1.00 0.00 N ATOM 1333 CA GLU A 88 8.223 12.500 8.096 1.00 0.00 C ATOM 1334 C GLU A 88 9.146 13.047 7.005 1.00 0.00 C ATOM 1335 O GLU A 88 8.793 13.038 5.827 1.00 0.00 O ATOM 1336 CB GLU A 88 8.244 10.970 8.116 1.00 0.00 C ATOM 1337 CG GLU A 88 7.820 10.434 9.485 1.00 0.00 C ATOM 1338 CD GLU A 88 8.898 9.522 10.074 1.00 0.00 C ATOM 1339 OE1 GLU A 88 10.045 10.003 10.196 1.00 0.00 O ATOM 1340 OE2 GLU A 88 8.550 8.363 10.389 1.00 0.00 O ATOM 0 H GLU A 88 6.449 12.764 7.012 1.00 0.00 H new ATOM 0 HA GLU A 88 8.588 12.848 9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.575 10.583 7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.246 10.613 7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.632 11.266 10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.884 9.883 9.390 1.00 0.00 H new ATOM 1347 N PRO A 89 10.341 13.522 7.447 1.00 0.00 N ATOM 1348 CA PRO A 89 11.317 14.071 6.522 1.00 0.00 C ATOM 1349 C PRO A 89 12.012 12.959 5.733 1.00 0.00 C ATOM 1350 O PRO A 89 12.608 12.057 6.319 1.00 0.00 O ATOM 1351 CB PRO A 89 12.275 14.872 7.389 1.00 0.00 C ATOM 1352 CG PRO A 89 12.075 14.364 8.808 1.00 0.00 C ATOM 1353 CD PRO A 89 10.793 13.548 8.835 1.00 0.00 C ATOM 0 HA PRO A 89 10.863 14.706 5.761 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.306 14.731 7.065 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.063 15.939 7.322 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.923 13.753 9.118 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.011 15.198 9.507 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.972 12.541 9.212 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.047 14.004 9.486 1.00 0.00 H new ATOM 1361 N GLY A 90 11.911 13.060 4.416 1.00 0.00 N ATOM 1362 CA GLY A 90 12.522 12.074 3.541 1.00 0.00 C ATOM 1363 C GLY A 90 12.024 10.665 3.870 1.00 0.00 C ATOM 1364 O GLY A 90 12.822 9.766 4.131 1.00 0.00 O ATOM 0 H GLY A 90 11.415 13.810 3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.292 12.312 2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.606 12.114 3.644 1.00 0.00 H new ATOM 1368 N LYS A 91 10.708 10.517 3.848 1.00 0.00 N ATOM 1369 CA LYS A 91 10.094 9.233 4.141 1.00 0.00 C ATOM 1370 C LYS A 91 8.709 9.175 3.493 1.00 0.00 C ATOM 1371 O LYS A 91 8.591 8.932 2.293 1.00 0.00 O ATOM 1372 CB LYS A 91 10.079 8.978 5.649 1.00 0.00 C ATOM 1373 CG LYS A 91 11.329 8.213 6.089 1.00 0.00 C ATOM 1374 CD LYS A 91 11.001 7.224 7.208 1.00 0.00 C ATOM 1375 CE LYS A 91 10.434 5.921 6.640 1.00 0.00 C ATOM 1376 NZ LYS A 91 9.309 5.439 7.473 1.00 0.00 N ATOM 0 H LYS A 91 10.049 11.265 3.632 1.00 0.00 H new ATOM 0 HA LYS A 91 10.682 8.422 3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.023 9.928 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.188 8.410 5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.751 7.678 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.088 8.916 6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.901 7.012 7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.280 7.670 7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.094 6.081 5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.217 5.163 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.936 4.554 7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.644 5.267 8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.556 6.156 7.488 1.00 0.00 H new ATOM 1390 N CYS A 92 7.696 9.403 4.317 1.00 0.00 N ATOM 1391 CA CYS A 92 6.324 9.380 3.839 1.00 0.00 C ATOM 1392 C CYS A 92 5.438 10.046 4.894 1.00 0.00 C ATOM 1393 O CYS A 92 5.919 10.444 5.953 1.00 0.00 O ATOM 1394 CB CYS A 92 5.861 7.958 3.519 1.00 0.00 C ATOM 1395 SG CYS A 92 6.586 6.779 4.716 1.00 0.00 S ATOM 0 H CYS A 92 7.798 9.604 5.312 1.00 0.00 H new ATOM 0 HA CYS A 92 6.252 9.934 2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.773 7.904 3.556 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.159 7.689 2.506 1.00 0.00 H new ATOM 0 HG CYS A 92 6.184 5.575 4.436 1.00 0.00 H new ATOM 1401 N VAL A 93 4.157 10.145 4.567 1.00 0.00 N ATOM 1402 CA VAL A 93 3.199 10.756 5.472 1.00 0.00 C ATOM 1403 C VAL A 93 2.367 9.660 6.142 1.00 0.00 C ATOM 1404 O VAL A 93 1.830 8.784 5.466 1.00 0.00 O ATOM 1405 CB VAL A 93 2.346 11.779 4.719 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.202 12.291 5.597 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.204 12.937 4.206 1.00 0.00 C ATOM 0 H VAL A 93 3.761 9.812 3.688 1.00 0.00 H new ATOM 0 HA VAL A 93 3.714 11.302 6.262 1.00 0.00 H new ATOM 0 HB VAL A 93 1.908 11.279 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.611 13.017 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.567 11.455 5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.612 12.766 6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.573 13.650 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.684 13.435 5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.967 12.553 3.529 1.00 0.00 H new ATOM 1417 N LEU A 94 2.286 9.746 7.461 1.00 0.00 N ATOM 1418 CA LEU A 94 1.528 8.773 8.229 1.00 0.00 C ATOM 1419 C LEU A 94 0.197 9.394 8.659 1.00 0.00 C ATOM 1420 O LEU A 94 0.169 10.496 9.203 1.00 0.00 O ATOM 1421 CB LEU A 94 2.364 8.243 9.396 1.00 0.00 C ATOM 1422 CG LEU A 94 1.938 6.888 9.966 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.666 7.023 10.806 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.782 5.850 8.853 1.00 0.00 C ATOM 0 H LEU A 94 2.733 10.475 8.018 1.00 0.00 H new ATOM 0 HA LEU A 94 1.292 7.904 7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.401 8.167 9.069 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.336 8.978 10.200 1.00 0.00 H new ATOM 0 HG LEU A 94 2.726 6.533 10.629 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.384 6.046 11.199 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.847 7.709 11.633 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.141 7.410 10.184 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.479 4.896 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.023 6.186 8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.733 5.727 8.334 1.00 0.00 H new ATOM 1436 N VAL A 95 -0.874 8.658 8.398 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.205 9.122 8.751 1.00 0.00 C ATOM 1438 C VAL A 95 -2.991 7.971 9.381 1.00 0.00 C ATOM 1439 O VAL A 95 -2.830 6.816 8.989 1.00 0.00 O ATOM 1440 CB VAL A 95 -2.895 9.715 7.521 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.362 10.036 7.817 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -2.153 10.956 7.021 1.00 0.00 C ATOM 0 H VAL A 95 -0.847 7.744 7.946 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.148 9.920 9.491 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.868 8.967 6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.829 10.456 6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.884 9.123 8.104 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.419 10.758 8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.664 11.358 6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.133 11.710 7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.132 10.686 6.752 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.826 8.326 10.347 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.637 7.337 11.035 1.00 0.00 C ATOM 1454 C ASN A 96 -6.109 7.747 10.956 1.00 0.00 C ATOM 1455 O ASN A 96 -6.458 8.884 11.269 1.00 0.00 O ATOM 1456 CB ASN A 96 -4.253 7.240 12.513 1.00 0.00 C ATOM 1457 CG ASN A 96 -3.125 6.227 12.720 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -1.941 6.637 12.274 1.00 0.00 O flip ATOM 1459 ND2 ASN A 96 -3.317 5.145 13.250 1.00 0.00 N flip ATOM 0 H ASN A 96 -3.958 9.285 10.669 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.471 6.373 10.555 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.939 8.219 12.876 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -5.123 6.946 13.100 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.252 4.893 13.570 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.542 4.493 13.373 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.933 6.798 10.536 1.00 0.00 N ATOM 1467 CA LEU A 97 -8.359 7.047 10.411 1.00 0.00 C ATOM 1468 C LEU A 97 -9.124 6.058 11.294 1.00 0.00 C ATOM 1469 O LEU A 97 -8.978 4.846 11.143 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.783 7.015 8.942 1.00 0.00 C ATOM 1471 CG LEU A 97 -8.101 8.032 8.024 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -8.813 8.116 6.673 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -7.996 9.399 8.704 1.00 0.00 C ATOM 0 H LEU A 97 -6.640 5.856 10.278 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.603 8.048 10.766 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.591 6.016 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.860 7.175 8.892 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.084 7.690 7.830 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.308 8.846 6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.791 7.140 6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.848 8.423 6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.508 10.104 8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.995 9.762 8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.411 9.306 9.619 1.00 0.00 H new ATOM 1485 N SER A 98 -9.922 6.612 12.194 1.00 0.00 N ATOM 1486 CA SER A 98 -10.710 5.794 13.101 1.00 0.00 C ATOM 1487 C SER A 98 -12.128 5.622 12.552 1.00 0.00 C ATOM 1488 O SER A 98 -12.969 6.505 12.709 1.00 0.00 O ATOM 1489 CB SER A 98 -10.753 6.408 14.501 1.00 0.00 C ATOM 1490 OG SER A 98 -10.635 5.421 15.521 1.00 0.00 O ATOM 0 H SER A 98 -10.040 7.618 12.315 1.00 0.00 H new ATOM 0 HA SER A 98 -10.236 4.815 13.178 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.946 7.133 14.604 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.689 6.952 14.630 1.00 0.00 H new ATOM 0 HG SER A 98 -10.665 5.854 16.400 1.00 0.00 H new ATOM 1496 N LYS A 99 -12.349 4.478 11.920 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.650 4.179 11.347 1.00 0.00 C ATOM 1498 C LYS A 99 -14.694 4.123 12.465 1.00 0.00 C ATOM 1499 O LYS A 99 -14.887 3.078 13.086 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.584 2.905 10.502 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.888 1.777 11.266 1.00 0.00 C ATOM 1502 CD LYS A 99 -13.402 0.409 10.811 1.00 0.00 C ATOM 1503 CE LYS A 99 -12.639 -0.081 9.579 1.00 0.00 C ATOM 1504 NZ LYS A 99 -12.856 -1.531 9.378 1.00 0.00 N ATOM 0 H LYS A 99 -11.649 3.747 11.792 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.956 4.971 10.663 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -14.592 2.595 10.226 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.047 3.106 9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.811 1.836 11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.060 1.897 12.336 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.293 -0.312 11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.466 0.474 10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.969 0.468 8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.575 0.120 9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.331 -1.847 8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.519 -2.051 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.871 -1.715 9.242 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.338 5.258 12.687 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.357 5.351 13.719 1.00 0.00 C ATOM 1520 C VAL A 100 -17.271 4.126 13.639 1.00 0.00 C ATOM 1521 O VAL A 100 -17.541 3.619 12.552 1.00 0.00 O ATOM 1522 CB VAL A 100 -17.116 6.673 13.588 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -16.155 7.863 13.623 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -17.967 6.693 12.318 1.00 0.00 C ATOM 0 H VAL A 100 -15.174 6.122 12.170 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.900 5.351 14.708 1.00 0.00 H new ATOM 0 HB VAL A 100 -17.787 6.760 14.442 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -16.720 8.790 13.528 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -15.612 7.864 14.568 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.447 7.783 12.798 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -18.496 7.644 12.249 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -17.323 6.572 11.447 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -18.689 5.877 12.351 1.00 0.00 H new ATOM 1534 N GLY A 101 -17.721 3.687 14.805 1.00 0.00 N ATOM 1535 CA GLY A 101 -18.599 2.531 14.881 1.00 0.00 C ATOM 1536 C GLY A 101 -17.951 1.307 14.231 1.00 0.00 C ATOM 1537 O GLY A 101 -16.727 1.189 14.205 1.00 0.00 O ATOM 0 H GLY A 101 -17.494 4.111 15.705 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -18.831 2.314 15.924 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -19.543 2.754 14.384 1.00 0.00 H new ATOM 1541 N GLU A 102 -18.801 0.427 13.723 1.00 0.00 N ATOM 1542 CA GLU A 102 -18.326 -0.784 13.075 1.00 0.00 C ATOM 1543 C GLU A 102 -18.853 -0.860 11.641 1.00 0.00 C ATOM 1544 O GLU A 102 -19.956 -1.350 11.406 1.00 0.00 O ATOM 1545 CB GLU A 102 -18.728 -2.026 13.873 1.00 0.00 C ATOM 1546 CG GLU A 102 -20.238 -2.053 14.122 1.00 0.00 C ATOM 1547 CD GLU A 102 -20.806 -3.456 13.896 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -20.312 -4.124 12.962 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -21.720 -3.828 14.663 1.00 0.00 O ATOM 0 H GLU A 102 -19.816 0.528 13.747 1.00 0.00 H new ATOM 0 HA GLU A 102 -17.237 -0.751 13.040 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.429 -2.923 13.331 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.198 -2.038 14.826 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -20.448 -1.732 15.142 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -20.733 -1.345 13.457 1.00 0.00 H new ATOM 1556 N TYR A 103 -18.038 -0.368 10.719 1.00 0.00 N ATOM 1557 CA TYR A 103 -18.408 -0.374 9.313 1.00 0.00 C ATOM 1558 C TYR A 103 -17.294 -0.978 8.456 1.00 0.00 C ATOM 1559 O TYR A 103 -16.113 -0.789 8.743 1.00 0.00 O ATOM 1560 CB TYR A 103 -18.598 1.092 8.921 1.00 0.00 C ATOM 1561 CG TYR A 103 -19.775 1.776 9.621 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -19.759 1.945 10.990 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -20.852 2.222 8.883 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -20.866 2.589 11.649 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -21.959 2.866 9.541 1.00 0.00 C ATOM 1566 CZ TYR A 103 -21.912 3.017 10.892 1.00 0.00 C ATOM 1567 OH TYR A 103 -22.957 3.625 11.514 1.00 0.00 O ATOM 0 H TYR A 103 -17.123 0.037 10.918 1.00 0.00 H new ATOM 0 HA TYR A 103 -19.308 -0.969 9.155 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -17.684 1.640 9.150 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -18.745 1.153 7.843 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -18.916 1.594 11.568 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -20.865 2.088 7.811 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -20.866 2.729 12.720 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -22.807 3.221 8.975 1.00 0.00 H new ATOM 0 HH TYR A 103 -23.631 3.879 10.849 1.00 0.00 H new ATOM 1577 N TRP A 104 -17.709 -1.694 7.421 1.00 0.00 N ATOM 1578 CA TRP A 104 -16.761 -2.327 6.520 1.00 0.00 C ATOM 1579 C TRP A 104 -16.139 -1.236 5.646 1.00 0.00 C ATOM 1580 O TRP A 104 -16.853 -0.438 5.041 1.00 0.00 O ATOM 1581 CB TRP A 104 -17.434 -3.434 5.707 1.00 0.00 C ATOM 1582 CG TRP A 104 -17.700 -3.060 4.247 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -17.231 -3.658 3.143 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -18.522 -1.972 3.774 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -17.688 -3.038 1.999 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -18.498 -1.980 2.395 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -19.261 -1.013 4.489 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -19.195 -1.052 1.611 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -19.951 -0.093 3.691 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -19.938 -0.087 2.301 1.00 0.00 C ATOM 0 H TRP A 104 -18.689 -1.850 7.186 1.00 0.00 H new ATOM 0 HA TRP A 104 -15.966 -2.820 7.080 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -16.806 -4.324 5.735 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -18.379 -3.696 6.182 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.577 -4.518 3.149 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.471 -3.306 1.039 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -19.294 -0.988 5.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -19.161 -1.079 0.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -20.535 0.666 4.191 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -20.498 0.658 1.756 1.00 0.00 H new ATOM 1601 N TRP A 105 -14.815 -1.238 5.606 1.00 0.00 N ATOM 1602 CA TRP A 105 -14.089 -0.259 4.816 1.00 0.00 C ATOM 1603 C TRP A 105 -13.409 -0.995 3.660 1.00 0.00 C ATOM 1604 O TRP A 105 -12.256 -1.409 3.775 1.00 0.00 O ATOM 1605 CB TRP A 105 -13.105 0.527 5.685 1.00 0.00 C ATOM 1606 CG TRP A 105 -13.726 1.732 6.394 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -14.521 1.735 7.474 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.571 3.119 6.028 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.887 3.017 7.828 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -14.292 3.886 6.921 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.846 3.707 4.977 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -14.358 5.283 6.854 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.922 5.104 4.923 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -13.643 5.890 5.814 1.00 0.00 C ATOM 0 H TRP A 105 -14.226 -1.902 6.108 1.00 0.00 H new ATOM 0 HA TRP A 105 -14.770 0.485 4.403 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -12.681 -0.143 6.433 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -12.280 0.871 5.061 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -14.835 0.846 8.000 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -15.485 3.279 8.612 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -12.275 3.127 4.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.929 5.861 7.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -12.382 5.606 4.134 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -13.652 6.964 5.705 1.00 0.00 H new ATOM 1625 N ASN A 106 -14.151 -1.134 2.571 1.00 0.00 N ATOM 1626 CA ASN A 106 -13.634 -1.813 1.395 1.00 0.00 C ATOM 1627 C ASN A 106 -13.065 -0.778 0.423 1.00 0.00 C ATOM 1628 O ASN A 106 -12.975 -1.031 -0.777 1.00 0.00 O ATOM 1629 CB ASN A 106 -14.741 -2.582 0.672 1.00 0.00 C ATOM 1630 CG ASN A 106 -14.782 -4.042 1.126 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -14.361 -4.392 2.217 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -15.311 -4.873 0.232 1.00 0.00 N ATOM 0 H ASN A 106 -15.106 -0.788 2.478 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.863 -2.512 1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.704 -2.110 0.867 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.576 -2.537 -0.405 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.383 -5.869 0.441 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.645 -4.514 -0.663 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.695 0.367 0.978 1.00 0.00 N ATOM 1640 CA ALA A 107 -12.137 1.442 0.175 1.00 0.00 C ATOM 1641 C ALA A 107 -12.003 2.700 1.036 1.00 0.00 C ATOM 1642 O ALA A 107 -12.893 3.014 1.825 1.00 0.00 O ATOM 1643 CB ALA A 107 -13.017 1.670 -1.056 1.00 0.00 C ATOM 0 H ALA A 107 -12.771 0.574 1.974 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.141 1.178 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.598 2.476 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.056 0.757 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -14.024 1.940 -0.738 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.884 3.385 0.856 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.622 4.601 1.606 1.00 0.00 C ATOM 1651 C ILE A 108 -11.529 5.720 1.090 1.00 0.00 C ATOM 1652 O ILE A 108 -12.252 6.345 1.864 1.00 0.00 O ATOM 1653 CB ILE A 108 -9.132 4.948 1.562 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.294 3.852 2.225 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.870 6.322 2.181 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.219 4.060 3.739 1.00 0.00 C ATOM 0 H ILE A 108 -10.148 3.121 0.201 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.861 4.457 2.660 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.825 5.002 0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.729 2.876 2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.289 3.853 1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.804 6.544 2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.422 7.082 1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.198 6.321 3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.618 3.268 4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.761 5.026 3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.224 4.034 4.160 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.460 5.938 -0.215 1.00 0.00 N ATOM 1669 CA LEU A 109 -12.267 6.971 -0.844 1.00 0.00 C ATOM 1670 C LEU A 109 -13.459 6.322 -1.549 1.00 0.00 C ATOM 1671 O LEU A 109 -13.465 5.114 -1.784 1.00 0.00 O ATOM 1672 CB LEU A 109 -11.405 7.836 -1.765 1.00 0.00 C ATOM 1673 CG LEU A 109 -10.134 8.419 -1.143 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.251 9.072 -2.209 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.474 9.388 -0.009 1.00 0.00 C ATOM 0 H LEU A 109 -10.859 5.418 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.671 7.649 -0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.121 7.238 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -12.016 8.660 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.561 7.601 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.355 9.478 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.966 8.327 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.802 9.877 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.553 9.788 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.079 10.206 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.032 8.861 0.765 1.00 0.00 H new ATOM 1687 N GLU A 110 -14.442 7.152 -1.867 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.637 6.674 -2.540 1.00 0.00 C ATOM 1689 C GLU A 110 -15.352 6.437 -4.025 1.00 0.00 C ATOM 1690 O GLU A 110 -16.126 5.771 -4.711 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.799 7.652 -2.355 1.00 0.00 C ATOM 1692 CG GLU A 110 -17.897 7.040 -1.483 1.00 0.00 C ATOM 1693 CD GLU A 110 -19.091 6.601 -2.333 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -19.025 5.472 -2.864 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -20.043 7.405 -2.432 1.00 0.00 O ATOM 0 H GLU A 110 -14.435 8.153 -1.671 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.928 5.725 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -16.436 8.572 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -17.210 7.922 -3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -17.499 6.184 -0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -18.223 7.767 -0.739 1.00 0.00 H new