USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 617 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 64 CYS SG : rot 153:sc= 0.309 USER MOD Set 1.2: A 83 TYR OH : rot 23:sc= 1.34 USER MOD Set 2.1: A 19 THR OG1 : rot 39:sc= 0.144 USER MOD Set 2.2: A 66 GLN :FLIP amide:sc= -0.347 F(o=-1.9,f=-0.2) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 150:sc= 1.26 (180deg=0.502) USER MOD Single : A 25 ASN : amide:sc= 0.154 X(o=0.15,f=-0.047) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.04! C(o=-1!,f=-4.9!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot -34:sc= 0.817 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0441 K(o=-0.044,f=-2!) USER MOD Single : A 51 ASN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 57 THR OG1 : rot 45:sc= 0.0567 USER MOD Single : A 60 TYR OH : rot -36:sc= 0.571 USER MOD Single : A 69 HIS : no HE2:sc= 1.04 K(o=1,f=-3.1!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -43:sc= -0.187 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 89 CYS SG : rot -84:sc= -2.59! USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 96 GLN : amide:sc= -1.64 X(o=-1.6,f=-2) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 283 N THR A 19 -55.948 93.057 25.188 1.00 19.00 N ATOM 284 CA THR A 19 -55.781 92.411 23.933 1.00 19.00 C ATOM 285 C THR A 19 -55.919 93.449 22.833 1.00 19.00 C ATOM 286 O THR A 19 -56.836 94.276 22.866 1.00 19.00 O ATOM 287 CB THR A 19 -56.857 91.320 23.760 1.00 19.00 C ATOM 288 OG1 THR A 19 -56.778 90.403 24.860 1.00 19.00 O ATOM 289 CG2 THR A 19 -56.682 90.561 22.452 1.00 19.00 C ATOM 0 HA THR A 19 -54.798 91.944 23.883 1.00 19.00 H new ATOM 0 HB THR A 19 -57.833 91.804 23.738 1.00 19.00 H new ATOM 0 HG1 THR A 19 -56.598 90.898 25.686 1.00 19.00 H new ATOM 0 HG21 THR A 19 -57.458 89.801 22.366 1.00 19.00 H new ATOM 0 HG22 THR A 19 -56.759 91.255 21.615 1.00 19.00 H new ATOM 0 HG23 THR A 19 -55.703 90.083 22.437 1.00 19.00 H new ATOM 297 N TRP A 20 -55.000 93.444 21.914 1.00 20.00 N ATOM 298 CA TRP A 20 -55.064 94.337 20.796 1.00 20.00 C ATOM 299 C TRP A 20 -55.887 93.687 19.741 1.00 20.00 C ATOM 300 O TRP A 20 -55.734 92.496 19.498 1.00 20.00 O ATOM 301 CB TRP A 20 -53.674 94.646 20.274 1.00 20.00 C ATOM 302 CG TRP A 20 -52.840 95.408 21.247 1.00 20.00 C ATOM 303 CD1 TRP A 20 -52.139 94.905 22.297 1.00 20.00 C ATOM 304 CD2 TRP A 20 -52.616 96.815 21.250 1.00 20.00 C ATOM 305 NE1 TRP A 20 -51.497 95.915 22.957 1.00 20.00 N ATOM 306 CE2 TRP A 20 -51.770 97.099 22.332 1.00 20.00 C ATOM 307 CE3 TRP A 20 -53.048 97.863 20.438 1.00 20.00 C ATOM 308 CZ2 TRP A 20 -51.350 98.386 22.627 1.00 20.00 C ATOM 309 CZ3 TRP A 20 -52.628 99.137 20.730 1.00 20.00 C ATOM 310 CH2 TRP A 20 -51.786 99.391 21.814 1.00 20.00 C ATOM 0 H TRP A 20 -54.189 92.825 21.918 1.00 20.00 H new ATOM 0 HA TRP A 20 -55.514 95.283 21.097 1.00 20.00 H new ATOM 0 HB2 TRP A 20 -53.170 93.712 20.026 1.00 20.00 H new ATOM 0 HB3 TRP A 20 -53.758 95.218 19.350 1.00 20.00 H new ATOM 0 HD1 TRP A 20 -52.096 93.861 22.570 1.00 20.00 H new ATOM 0 HE1 TRP A 20 -50.909 95.803 23.783 1.00 20.00 H new ATOM 0 HE3 TRP A 20 -53.699 97.676 19.597 1.00 20.00 H new ATOM 0 HZ2 TRP A 20 -50.703 98.586 23.468 1.00 20.00 H new ATOM 0 HZ3 TRP A 20 -52.955 99.958 20.109 1.00 20.00 H new ATOM 0 HH2 TRP A 20 -51.473 100.405 22.013 1.00 20.00 H new ATOM 321 N TYR A 21 -56.766 94.421 19.157 1.00 21.00 N ATOM 322 CA TYR A 21 -57.640 93.890 18.169 1.00 21.00 C ATOM 323 C TYR A 21 -57.861 94.915 17.089 1.00 21.00 C ATOM 324 O TYR A 21 -57.501 96.090 17.242 1.00 21.00 O ATOM 325 CB TYR A 21 -59.009 93.518 18.798 1.00 21.00 C ATOM 326 CG TYR A 21 -59.840 94.721 19.234 1.00 21.00 C ATOM 327 CD1 TYR A 21 -60.793 95.275 18.381 1.00 21.00 C ATOM 328 CD2 TYR A 21 -59.655 95.315 20.472 1.00 21.00 C ATOM 329 CE1 TYR A 21 -61.525 96.376 18.748 1.00 21.00 C ATOM 330 CE2 TYR A 21 -60.394 96.419 20.847 1.00 21.00 C ATOM 331 CZ TYR A 21 -61.323 96.944 19.982 1.00 21.00 C ATOM 332 OH TYR A 21 -62.047 98.051 20.348 1.00 21.00 O ATOM 0 H TYR A 21 -56.901 95.413 19.351 1.00 21.00 H new ATOM 0 HA TYR A 21 -57.184 92.994 17.748 1.00 21.00 H new ATOM 0 HB2 TYR A 21 -59.582 92.936 18.077 1.00 21.00 H new ATOM 0 HB3 TYR A 21 -58.838 92.876 19.662 1.00 21.00 H new ATOM 0 HD1 TYR A 21 -60.959 94.829 17.412 1.00 21.00 H new ATOM 0 HD2 TYR A 21 -58.922 94.908 21.153 1.00 21.00 H new ATOM 0 HE1 TYR A 21 -62.255 96.793 18.071 1.00 21.00 H new ATOM 0 HE2 TYR A 21 -60.242 96.868 21.817 1.00 21.00 H new ATOM 0 HH TYR A 21 -61.786 98.329 21.251 1.00 21.00 H new ATOM 342 N LYS A 22 -58.421 94.472 16.018 1.00 22.00 N ATOM 343 CA LYS A 22 -58.890 95.324 14.985 1.00 22.00 C ATOM 344 C LYS A 22 -60.021 94.616 14.275 1.00 22.00 C ATOM 345 O LYS A 22 -59.974 93.391 14.084 1.00 22.00 O ATOM 346 CB LYS A 22 -57.801 95.726 13.974 1.00 22.00 C ATOM 347 CG LYS A 22 -57.227 94.579 13.210 1.00 22.00 C ATOM 348 CD LYS A 22 -56.302 95.050 12.111 1.00 22.00 C ATOM 349 CE LYS A 22 -55.673 93.880 11.392 1.00 22.00 C ATOM 350 NZ LYS A 22 -54.951 94.298 10.183 1.00 22.00 N1+ ATOM 0 H LYS A 22 -58.569 93.480 15.833 1.00 22.00 H new ATOM 0 HA LYS A 22 -59.224 96.255 15.444 1.00 22.00 H new ATOM 0 HB2 LYS A 22 -58.221 96.444 13.270 1.00 22.00 H new ATOM 0 HB3 LYS A 22 -56.996 96.234 14.505 1.00 22.00 H new ATOM 0 HG2 LYS A 22 -56.682 93.925 13.890 1.00 22.00 H new ATOM 0 HG3 LYS A 22 -58.035 93.988 12.778 1.00 22.00 H new ATOM 0 HD2 LYS A 22 -56.858 95.661 11.400 1.00 22.00 H new ATOM 0 HD3 LYS A 22 -55.522 95.683 12.534 1.00 22.00 H new ATOM 0 HE2 LYS A 22 -54.986 93.368 12.066 1.00 22.00 H new ATOM 0 HE3 LYS A 22 -56.448 93.162 11.121 1.00 22.00 H new ATOM 0 HZ1 LYS A 22 -54.159 93.647 10.009 1.00 22.00 H new ATOM 0 HZ2 LYS A 22 -55.598 94.282 9.369 1.00 22.00 H new ATOM 0 HZ3 LYS A 22 -54.584 95.262 10.314 1.00 22.00 H new ATOM 364 N PRO A 23 -61.054 95.343 13.936 1.00 23.00 N ATOM 365 CA PRO A 23 -62.165 94.813 13.177 1.00 23.00 C ATOM 366 C PRO A 23 -61.767 94.680 11.709 1.00 23.00 C ATOM 367 O PRO A 23 -61.535 95.685 11.021 1.00 23.00 O ATOM 368 CB PRO A 23 -63.246 95.885 13.338 1.00 23.00 C ATOM 369 CG PRO A 23 -62.497 97.152 13.590 1.00 23.00 C ATOM 370 CD PRO A 23 -61.213 96.756 14.263 1.00 23.00 C ATOM 0 HA PRO A 23 -62.490 93.827 13.510 1.00 23.00 H new ATOM 0 HB2 PRO A 23 -63.862 95.962 12.442 1.00 23.00 H new ATOM 0 HB3 PRO A 23 -63.915 95.650 14.166 1.00 23.00 H new ATOM 0 HG2 PRO A 23 -62.300 97.680 12.657 1.00 23.00 H new ATOM 0 HG3 PRO A 23 -63.075 97.826 14.222 1.00 23.00 H new ATOM 0 HD2 PRO A 23 -60.373 97.346 13.896 1.00 23.00 H new ATOM 0 HD3 PRO A 23 -61.265 96.911 15.341 1.00 23.00 H new ATOM 378 N GLU A 24 -61.678 93.479 11.236 1.00 24.00 N ATOM 379 CA GLU A 24 -61.273 93.248 9.888 1.00 24.00 C ATOM 380 C GLU A 24 -62.001 92.037 9.359 1.00 24.00 C ATOM 381 O GLU A 24 -61.907 90.958 9.930 1.00 24.00 O ATOM 382 CB GLU A 24 -59.755 93.045 9.849 1.00 24.00 C ATOM 383 CG GLU A 24 -59.191 92.914 8.443 1.00 24.00 C ATOM 384 CD GLU A 24 -57.688 92.979 8.393 1.00 24.00 C ATOM 385 OE1 GLU A 24 -57.120 94.078 8.571 1.00 24.00 O ATOM 386 OE2 GLU A 24 -57.042 91.966 8.106 1.00 24.00 O1- ATOM 0 H GLU A 24 -61.883 92.635 11.770 1.00 24.00 H new ATOM 0 HA GLU A 24 -61.521 94.103 9.259 1.00 24.00 H new ATOM 0 HB2 GLU A 24 -59.272 93.885 10.348 1.00 24.00 H new ATOM 0 HB3 GLU A 24 -59.502 92.150 10.417 1.00 24.00 H new ATOM 0 HG2 GLU A 24 -59.521 91.968 8.014 1.00 24.00 H new ATOM 0 HG3 GLU A 24 -59.602 93.707 7.819 1.00 24.00 H new ATOM 393 N ASN A 25 -62.702 92.201 8.270 1.00 25.00 N ATOM 394 CA ASN A 25 -63.476 91.114 7.733 1.00 25.00 C ATOM 395 C ASN A 25 -62.739 90.518 6.570 1.00 25.00 C ATOM 396 O ASN A 25 -62.654 91.109 5.490 1.00 25.00 O ATOM 397 CB ASN A 25 -64.889 91.572 7.320 1.00 25.00 C ATOM 398 CG ASN A 25 -65.816 90.422 6.887 1.00 25.00 C ATOM 399 OD1 ASN A 25 -66.680 90.593 6.027 1.00 25.00 O ATOM 400 ND2 ASN A 25 -65.684 89.266 7.487 1.00 25.00 N ATOM 0 H ASN A 25 -62.754 93.071 7.740 1.00 25.00 H new ATOM 0 HA ASN A 25 -63.606 90.357 8.506 1.00 25.00 H new ATOM 0 HB2 ASN A 25 -65.348 92.100 8.156 1.00 25.00 H new ATOM 0 HB3 ASN A 25 -64.804 92.285 6.500 1.00 25.00 H new ATOM 0 HD21 ASN A 25 -66.302 88.492 7.244 1.00 25.00 H new ATOM 0 HD22 ASN A 25 -64.963 89.140 8.198 1.00 25.00 H new ATOM 407 N ALA A 26 -62.194 89.369 6.787 1.00 26.00 N ATOM 408 CA ALA A 26 -61.403 88.717 5.773 1.00 26.00 C ATOM 409 C ALA A 26 -61.590 87.240 5.834 1.00 26.00 C ATOM 410 O ALA A 26 -62.166 86.714 6.798 1.00 26.00 O ATOM 411 CB ALA A 26 -59.922 89.072 5.915 1.00 26.00 C ATOM 0 H ALA A 26 -62.277 88.850 7.661 1.00 26.00 H new ATOM 0 HA ALA A 26 -61.745 89.073 4.801 1.00 26.00 H new ATOM 0 HB1 ALA A 26 -59.350 88.566 5.137 1.00 26.00 H new ATOM 0 HB2 ALA A 26 -59.795 90.150 5.815 1.00 26.00 H new ATOM 0 HB3 ALA A 26 -59.564 88.753 6.894 1.00 26.00 H new ATOM 417 N THR A 27 -61.125 86.578 4.826 1.00 27.00 N ATOM 418 CA THR A 27 -61.196 85.170 4.765 1.00 27.00 C ATOM 419 C THR A 27 -59.819 84.567 4.997 1.00 27.00 C ATOM 420 O THR A 27 -58.878 84.834 4.263 1.00 27.00 O ATOM 421 CB THR A 27 -61.785 84.727 3.418 1.00 27.00 C ATOM 422 OG1 THR A 27 -63.129 85.202 3.311 1.00 27.00 O ATOM 423 CG2 THR A 27 -61.739 83.213 3.238 1.00 27.00 C ATOM 0 H THR A 27 -60.682 87.012 4.016 1.00 27.00 H new ATOM 0 HA THR A 27 -61.857 84.808 5.553 1.00 27.00 H new ATOM 0 HB THR A 27 -61.175 85.158 2.624 1.00 27.00 H new ATOM 0 HG1 THR A 27 -63.507 84.922 2.451 1.00 27.00 H new ATOM 0 HG21 THR A 27 -62.167 82.948 2.271 1.00 27.00 H new ATOM 0 HG22 THR A 27 -60.705 82.873 3.283 1.00 27.00 H new ATOM 0 HG23 THR A 27 -62.313 82.735 4.032 1.00 27.00 H new ATOM 431 N PHE A 28 -59.721 83.779 6.013 1.00 28.00 N ATOM 432 CA PHE A 28 -58.517 83.107 6.350 1.00 28.00 C ATOM 433 C PHE A 28 -58.596 81.711 5.825 1.00 28.00 C ATOM 434 O PHE A 28 -59.462 80.935 6.209 1.00 28.00 O ATOM 435 CB PHE A 28 -58.281 83.099 7.873 1.00 28.00 C ATOM 436 CG PHE A 28 -57.192 82.151 8.322 1.00 28.00 C ATOM 437 CD1 PHE A 28 -57.517 80.983 9.003 1.00 28.00 C ATOM 438 CD2 PHE A 28 -55.861 82.407 8.047 1.00 28.00 C ATOM 439 CE1 PHE A 28 -56.540 80.099 9.395 1.00 28.00 C ATOM 440 CE2 PHE A 28 -54.877 81.524 8.443 1.00 28.00 C ATOM 441 CZ PHE A 28 -55.218 80.368 9.117 1.00 28.00 C ATOM 0 H PHE A 28 -60.496 83.581 6.646 1.00 28.00 H new ATOM 0 HA PHE A 28 -57.674 83.632 5.900 1.00 28.00 H new ATOM 0 HB2 PHE A 28 -58.026 84.108 8.196 1.00 28.00 H new ATOM 0 HB3 PHE A 28 -59.211 82.830 8.373 1.00 28.00 H new ATOM 0 HD1 PHE A 28 -58.551 80.767 9.227 1.00 28.00 H new ATOM 0 HD2 PHE A 28 -55.589 83.308 7.517 1.00 28.00 H new ATOM 0 HE1 PHE A 28 -56.809 79.194 9.920 1.00 28.00 H new ATOM 0 HE2 PHE A 28 -53.841 81.737 8.226 1.00 28.00 H new ATOM 0 HZ PHE A 28 -54.449 79.676 9.426 1.00 28.00 H new ATOM 451 N VAL A 29 -57.743 81.418 4.918 1.00 29.00 N ATOM 452 CA VAL A 29 -57.671 80.108 4.353 1.00 29.00 C ATOM 453 C VAL A 29 -56.573 79.407 5.071 1.00 29.00 C ATOM 454 O VAL A 29 -55.419 79.801 4.936 1.00 29.00 O ATOM 455 CB VAL A 29 -57.321 80.151 2.853 1.00 29.00 C ATOM 456 CG1 VAL A 29 -57.427 78.768 2.215 1.00 29.00 C ATOM 457 CG2 VAL A 29 -58.167 81.168 2.118 1.00 29.00 C ATOM 0 H VAL A 29 -57.066 82.079 4.538 1.00 29.00 H new ATOM 0 HA VAL A 29 -58.635 79.609 4.453 1.00 29.00 H new ATOM 0 HB VAL A 29 -56.282 80.469 2.768 1.00 29.00 H new ATOM 0 HG11 VAL A 29 -57.173 78.835 1.157 1.00 29.00 H new ATOM 0 HG12 VAL A 29 -56.737 78.085 2.711 1.00 29.00 H new ATOM 0 HG13 VAL A 29 -58.446 78.396 2.321 1.00 29.00 H new ATOM 0 HG21 VAL A 29 -57.895 81.173 1.063 1.00 29.00 H new ATOM 0 HG22 VAL A 29 -59.220 80.907 2.220 1.00 29.00 H new ATOM 0 HG23 VAL A 29 -57.996 82.158 2.541 1.00 29.00 H new ATOM 467 N ASN A 30 -56.917 78.439 5.874 1.00 30.00 N ATOM 468 CA ASN A 30 -55.916 77.709 6.627 1.00 30.00 C ATOM 469 C ASN A 30 -55.033 76.912 5.683 1.00 30.00 C ATOM 470 O ASN A 30 -55.526 76.338 4.697 1.00 30.00 O ATOM 471 CB ASN A 30 -56.558 76.812 7.694 1.00 30.00 C ATOM 472 CG ASN A 30 -55.535 76.100 8.537 1.00 30.00 C ATOM 473 OD1 ASN A 30 -54.416 76.552 8.695 1.00 30.00 O ATOM 474 ND2 ASN A 30 -55.920 75.003 9.104 1.00 30.00 N ATOM 0 H ASN A 30 -57.877 78.132 6.029 1.00 30.00 H new ATOM 0 HA ASN A 30 -55.290 78.428 7.156 1.00 30.00 H new ATOM 0 HB2 ASN A 30 -57.197 77.417 8.337 1.00 30.00 H new ATOM 0 HB3 ASN A 30 -57.200 76.077 7.208 1.00 30.00 H new ATOM 0 HD21 ASN A 30 -55.278 74.488 9.706 1.00 30.00 H new ATOM 0 HD22 ASN A 30 -56.866 74.653 8.949 1.00 30.00 H new ATOM 481 N GLY A 31 -53.749 76.900 5.969 1.00 31.00 N ATOM 482 CA GLY A 31 -52.792 76.266 5.120 1.00 31.00 C ATOM 483 C GLY A 31 -52.800 74.758 5.196 1.00 31.00 C ATOM 484 O GLY A 31 -53.830 74.109 5.023 1.00 31.00 O ATOM 0 H GLY A 31 -53.349 77.334 6.801 1.00 31.00 H new ATOM 0 HA2 GLY A 31 -52.981 76.568 4.090 1.00 31.00 H new ATOM 0 HA3 GLY A 31 -51.797 76.626 5.380 1.00 31.00 H new ATOM 488 N ASN A 32 -51.661 74.199 5.494 1.00 32.00 N ATOM 489 CA ASN A 32 -51.486 72.753 5.426 1.00 32.00 C ATOM 490 C ASN A 32 -51.415 72.120 6.779 1.00 32.00 C ATOM 491 O ASN A 32 -51.045 70.951 6.923 1.00 32.00 O ATOM 492 CB ASN A 32 -50.239 72.416 4.625 1.00 32.00 C ATOM 493 CG ASN A 32 -50.322 72.946 3.224 1.00 32.00 C ATOM 494 OD1 ASN A 32 -49.780 74.014 2.899 1.00 32.00 O ATOM 495 ND2 ASN A 32 -51.081 72.287 2.424 1.00 32.00 N ATOM 0 H ASN A 32 -50.831 74.713 5.788 1.00 32.00 H new ATOM 0 HA ASN A 32 -52.365 72.345 4.927 1.00 32.00 H new ATOM 0 HB2 ASN A 32 -49.363 72.834 5.121 1.00 32.00 H new ATOM 0 HB3 ASN A 32 -50.104 71.335 4.598 1.00 32.00 H new ATOM 0 HD21 ASN A 32 -51.257 72.638 1.483 1.00 32.00 H new ATOM 0 HD22 ASN A 32 -51.508 71.413 2.730 1.00 32.00 H new ATOM 502 N GLN A 33 -51.805 72.858 7.748 1.00 33.00 N ATOM 503 CA GLN A 33 -51.766 72.418 9.114 1.00 33.00 C ATOM 504 C GLN A 33 -53.050 72.775 9.849 1.00 33.00 C ATOM 505 O GLN A 33 -53.543 73.866 9.713 1.00 33.00 O ATOM 506 CB GLN A 33 -50.588 73.053 9.813 1.00 33.00 C ATOM 507 CG GLN A 33 -50.434 74.539 9.499 1.00 33.00 C ATOM 508 CD GLN A 33 -49.422 75.221 10.357 1.00 33.00 C ATOM 509 OE1 GLN A 33 -48.231 75.267 10.041 1.00 33.00 O ATOM 510 NE2 GLN A 33 -49.889 75.785 11.420 1.00 33.00 N ATOM 0 H GLN A 33 -52.169 73.803 7.626 1.00 33.00 H new ATOM 0 HA GLN A 33 -51.664 71.333 9.120 1.00 33.00 H new ATOM 0 HB2 GLN A 33 -50.700 72.925 10.890 1.00 33.00 H new ATOM 0 HB3 GLN A 33 -49.676 72.530 9.523 1.00 33.00 H new ATOM 0 HG2 GLN A 33 -50.151 74.655 8.453 1.00 33.00 H new ATOM 0 HG3 GLN A 33 -51.398 75.032 9.625 1.00 33.00 H new ATOM 0 HE21 GLN A 33 -50.883 75.718 11.638 1.00 33.00 H new ATOM 0 HE22 GLN A 33 -49.264 76.297 12.042 1.00 33.00 H new ATOM 519 N PRO A 34 -53.618 71.846 10.610 1.00 34.00 N ATOM 520 CA PRO A 34 -54.796 72.121 11.419 1.00 34.00 C ATOM 521 C PRO A 34 -54.432 73.011 12.611 1.00 34.00 C ATOM 522 O PRO A 34 -53.365 72.830 13.239 1.00 34.00 O ATOM 523 CB PRO A 34 -55.255 70.744 11.886 1.00 34.00 C ATOM 524 CG PRO A 34 -54.037 69.884 11.819 1.00 34.00 C ATOM 525 CD PRO A 34 -53.165 70.460 10.734 1.00 34.00 C ATOM 0 HA PRO A 34 -55.572 72.653 10.869 1.00 34.00 H new ATOM 0 HB2 PRO A 34 -55.654 70.784 12.900 1.00 34.00 H new ATOM 0 HB3 PRO A 34 -56.048 70.355 11.247 1.00 34.00 H new ATOM 0 HG2 PRO A 34 -53.513 69.878 12.775 1.00 34.00 H new ATOM 0 HG3 PRO A 34 -54.303 68.851 11.595 1.00 34.00 H new ATOM 0 HD2 PRO A 34 -52.110 70.408 11.001 1.00 34.00 H new ATOM 0 HD3 PRO A 34 -53.284 69.916 9.797 1.00 34.00 H new ATOM 533 N ILE A 35 -55.282 73.957 12.928 1.00 35.00 N ATOM 534 CA ILE A 35 -54.955 74.922 13.961 1.00 35.00 C ATOM 535 C ILE A 35 -55.903 74.778 15.154 1.00 35.00 C ATOM 536 O ILE A 35 -57.080 74.547 14.977 1.00 35.00 O ATOM 537 CB ILE A 35 -55.022 76.380 13.441 1.00 35.00 C ATOM 538 CG1 ILE A 35 -54.523 76.479 11.973 1.00 35.00 C ATOM 539 CG2 ILE A 35 -54.199 77.275 14.353 1.00 35.00 C ATOM 540 CD1 ILE A 35 -54.130 77.876 11.525 1.00 35.00 C ATOM 0 H ILE A 35 -56.196 74.083 12.494 1.00 35.00 H new ATOM 0 HA ILE A 35 -53.931 74.712 14.270 1.00 35.00 H new ATOM 0 HB ILE A 35 -56.061 76.711 13.452 1.00 35.00 H new ATOM 0 HG12 ILE A 35 -53.664 75.819 11.851 1.00 35.00 H new ATOM 0 HG13 ILE A 35 -55.307 76.108 11.312 1.00 35.00 H new ATOM 0 HG21 ILE A 35 -54.243 78.302 13.991 1.00 35.00 H new ATOM 0 HG22 ILE A 35 -54.600 77.230 15.366 1.00 35.00 H new ATOM 0 HG23 ILE A 35 -53.163 76.936 14.357 1.00 35.00 H new ATOM 0 HD11 ILE A 35 -53.795 77.845 10.488 1.00 35.00 H new ATOM 0 HD12 ILE A 35 -54.990 78.540 11.609 1.00 35.00 H new ATOM 0 HD13 ILE A 35 -53.322 78.247 12.156 1.00 35.00 H new ATOM 552 N VAL A 36 -55.388 74.905 16.352 1.00 36.00 N ATOM 553 CA VAL A 36 -56.203 74.778 17.564 1.00 36.00 C ATOM 554 C VAL A 36 -56.997 76.079 17.821 1.00 36.00 C ATOM 555 O VAL A 36 -56.414 77.122 18.105 1.00 36.00 O ATOM 556 CB VAL A 36 -55.318 74.446 18.800 1.00 36.00 C ATOM 557 CG1 VAL A 36 -56.157 74.292 20.052 1.00 36.00 C ATOM 558 CG2 VAL A 36 -54.511 73.186 18.562 1.00 36.00 C ATOM 0 H VAL A 36 -54.402 75.098 16.528 1.00 36.00 H new ATOM 0 HA VAL A 36 -56.904 73.958 17.410 1.00 36.00 H new ATOM 0 HB VAL A 36 -54.633 75.282 18.945 1.00 36.00 H new ATOM 0 HG11 VAL A 36 -55.509 74.060 20.898 1.00 36.00 H new ATOM 0 HG12 VAL A 36 -56.692 75.221 20.248 1.00 36.00 H new ATOM 0 HG13 VAL A 36 -56.874 73.483 19.912 1.00 36.00 H new ATOM 0 HG21 VAL A 36 -53.900 72.974 19.439 1.00 36.00 H new ATOM 0 HG22 VAL A 36 -55.187 72.350 18.380 1.00 36.00 H new ATOM 0 HG23 VAL A 36 -53.865 73.326 17.695 1.00 36.00 H new ATOM 568 N THR A 37 -58.312 76.000 17.729 1.00 37.00 N ATOM 569 CA THR A 37 -59.167 77.175 17.886 1.00 37.00 C ATOM 570 C THR A 37 -59.672 77.317 19.335 1.00 37.00 C ATOM 571 O THR A 37 -59.840 76.314 20.042 1.00 37.00 O ATOM 572 CB THR A 37 -60.359 77.123 16.898 1.00 37.00 C ATOM 573 OG1 THR A 37 -61.135 75.924 17.102 1.00 37.00 O ATOM 574 CG2 THR A 37 -59.857 77.140 15.466 1.00 37.00 C ATOM 0 H THR A 37 -58.818 75.133 17.546 1.00 37.00 H new ATOM 0 HA THR A 37 -58.564 78.053 17.656 1.00 37.00 H new ATOM 0 HB THR A 37 -60.984 77.997 17.081 1.00 37.00 H new ATOM 0 HG1 THR A 37 -60.540 75.189 17.361 1.00 37.00 H new ATOM 0 HG21 THR A 37 -60.705 77.103 14.783 1.00 37.00 H new ATOM 0 HG22 THR A 37 -59.289 78.054 15.290 1.00 37.00 H new ATOM 0 HG23 THR A 37 -59.215 76.276 15.295 1.00 37.00 H new ATOM 582 N ARG A 38 -59.929 78.539 19.760 1.00 38.00 N ATOM 583 CA ARG A 38 -60.331 78.836 21.136 1.00 38.00 C ATOM 584 C ARG A 38 -61.656 79.531 21.133 1.00 38.00 C ATOM 585 O ARG A 38 -62.087 80.005 20.104 1.00 38.00 O ATOM 586 CB ARG A 38 -59.303 79.740 21.817 1.00 38.00 C ATOM 587 CG ARG A 38 -57.903 79.185 21.833 1.00 38.00 C ATOM 588 CD ARG A 38 -57.812 77.905 22.622 1.00 38.00 C ATOM 589 NE ARG A 38 -56.483 77.334 22.525 1.00 38.00 N ATOM 590 CZ ARG A 38 -56.030 76.316 23.236 1.00 38.00 C ATOM 591 NH1 ARG A 38 -56.705 75.868 24.302 1.00 38.00 N1+ ATOM 592 NH2 ARG A 38 -54.864 75.798 22.922 1.00 38.00 N ATOM 0 H ARG A 38 -59.867 79.364 19.163 1.00 38.00 H new ATOM 0 HA ARG A 38 -60.399 77.896 21.683 1.00 38.00 H new ATOM 0 HB2 ARG A 38 -59.293 80.705 21.310 1.00 38.00 H new ATOM 0 HB3 ARG A 38 -59.621 79.922 22.844 1.00 38.00 H new ATOM 0 HG2 ARG A 38 -57.573 79.004 20.810 1.00 38.00 H new ATOM 0 HG3 ARG A 38 -57.225 79.924 22.261 1.00 38.00 H new ATOM 0 HD2 ARG A 38 -58.054 78.099 23.667 1.00 38.00 H new ATOM 0 HD3 ARG A 38 -58.547 77.191 22.251 1.00 38.00 H new ATOM 0 HE ARG A 38 -55.843 77.754 21.851 1.00 38.00 H new ATOM 0 HH11 ARG A 38 -57.581 76.313 24.575 1.00 38.00 H new ATOM 0 HH12 ARG A 38 -56.343 75.081 24.841 1.00 38.00 H new ATOM 0 HH21 ARG A 38 -54.328 76.182 22.144 1.00 38.00 H new ATOM 0 HH22 ARG A 38 -54.494 75.012 23.457 1.00 38.00 H new ATOM 606 N ILE A 39 -62.296 79.601 22.271 1.00 39.00 N ATOM 607 CA ILE A 39 -63.590 80.232 22.362 1.00 39.00 C ATOM 608 C ILE A 39 -63.621 81.303 23.450 1.00 39.00 C ATOM 609 O ILE A 39 -63.062 81.127 24.527 1.00 39.00 O ATOM 610 CB ILE A 39 -64.726 79.190 22.590 1.00 39.00 C ATOM 611 CG1 ILE A 39 -64.742 78.182 21.433 1.00 39.00 C ATOM 612 CG2 ILE A 39 -66.085 79.881 22.721 1.00 39.00 C ATOM 613 CD1 ILE A 39 -65.836 77.155 21.503 1.00 39.00 C ATOM 0 H ILE A 39 -61.942 79.228 23.152 1.00 39.00 H new ATOM 0 HA ILE A 39 -63.768 80.720 21.403 1.00 39.00 H new ATOM 0 HB ILE A 39 -64.532 78.660 23.522 1.00 39.00 H new ATOM 0 HG12 ILE A 39 -64.837 78.729 20.495 1.00 39.00 H new ATOM 0 HG13 ILE A 39 -63.782 77.667 21.406 1.00 39.00 H new ATOM 0 HG21 ILE A 39 -66.860 79.132 22.879 1.00 39.00 H new ATOM 0 HG22 ILE A 39 -66.064 80.567 23.568 1.00 39.00 H new ATOM 0 HG23 ILE A 39 -66.299 80.438 21.809 1.00 39.00 H new ATOM 0 HD11 ILE A 39 -65.765 76.489 20.643 1.00 39.00 H new ATOM 0 HD12 ILE A 39 -65.733 76.576 22.421 1.00 39.00 H new ATOM 0 HD13 ILE A 39 -66.805 77.654 21.496 1.00 39.00 H new ATOM 625 N GLY A 40 -64.199 82.437 23.108 1.00 40.00 N ATOM 626 CA GLY A 40 -64.429 83.515 24.027 1.00 40.00 C ATOM 627 C GLY A 40 -63.278 84.468 24.109 1.00 40.00 C ATOM 628 O GLY A 40 -63.437 85.689 24.026 1.00 40.00 O ATOM 0 H GLY A 40 -64.526 82.631 22.162 1.00 40.00 H new ATOM 0 HA2 GLY A 40 -65.323 84.059 23.724 1.00 40.00 H new ATOM 0 HA3 GLY A 40 -64.626 83.105 25.018 1.00 40.00 H new ATOM 632 N SER A 41 -62.139 83.915 24.208 1.00 41.00 N ATOM 633 CA SER A 41 -60.933 84.654 24.461 1.00 41.00 C ATOM 634 C SER A 41 -59.782 84.148 23.579 1.00 41.00 C ATOM 635 O SER A 41 -59.695 82.950 23.294 1.00 41.00 O ATOM 636 CB SER A 41 -60.577 84.532 25.952 1.00 41.00 C ATOM 637 OG SER A 41 -61.661 84.970 26.772 1.00 41.00 O ATOM 0 H SER A 41 -61.994 82.909 24.116 1.00 41.00 H new ATOM 0 HA SER A 41 -61.094 85.703 24.212 1.00 41.00 H new ATOM 0 HB2 SER A 41 -60.332 83.496 26.188 1.00 41.00 H new ATOM 0 HB3 SER A 41 -59.689 85.126 26.168 1.00 41.00 H new ATOM 0 HG SER A 41 -61.413 84.882 27.716 1.00 41.00 H new ATOM 643 N PRO A 42 -58.908 85.050 23.103 1.00 42.00 N ATOM 644 CA PRO A 42 -57.761 84.676 22.306 1.00 42.00 C ATOM 645 C PRO A 42 -56.530 84.375 23.173 1.00 42.00 C ATOM 646 O PRO A 42 -55.638 85.208 23.330 1.00 42.00 O ATOM 647 CB PRO A 42 -57.528 85.905 21.429 1.00 42.00 C ATOM 648 CG PRO A 42 -58.068 87.067 22.212 1.00 42.00 C ATOM 649 CD PRO A 42 -58.981 86.514 23.286 1.00 42.00 C ATOM 0 HA PRO A 42 -57.931 83.763 21.735 1.00 42.00 H new ATOM 0 HB2 PRO A 42 -56.468 86.037 21.212 1.00 42.00 H new ATOM 0 HB3 PRO A 42 -58.039 85.806 20.471 1.00 42.00 H new ATOM 0 HG2 PRO A 42 -57.254 87.638 22.659 1.00 42.00 H new ATOM 0 HG3 PRO A 42 -58.614 87.748 21.559 1.00 42.00 H new ATOM 0 HD2 PRO A 42 -58.649 86.808 24.282 1.00 42.00 H new ATOM 0 HD3 PRO A 42 -60.001 86.880 23.169 1.00 42.00 H new ATOM 657 N PHE A 43 -56.527 83.217 23.786 1.00 43.00 N ATOM 658 CA PHE A 43 -55.426 82.792 24.640 1.00 43.00 C ATOM 659 C PHE A 43 -55.188 81.322 24.437 1.00 43.00 C ATOM 660 O PHE A 43 -56.088 80.601 24.028 1.00 43.00 O ATOM 661 CB PHE A 43 -55.741 83.009 26.140 1.00 43.00 C ATOM 662 CG PHE A 43 -55.911 84.435 26.590 1.00 43.00 C ATOM 663 CD1 PHE A 43 -54.869 85.114 27.195 1.00 43.00 C ATOM 664 CD2 PHE A 43 -57.112 85.085 26.422 1.00 43.00 C ATOM 665 CE1 PHE A 43 -55.031 86.417 27.621 1.00 43.00 C ATOM 666 CE2 PHE A 43 -57.284 86.386 26.840 1.00 43.00 C ATOM 667 CZ PHE A 43 -56.244 87.054 27.441 1.00 43.00 C ATOM 0 H PHE A 43 -57.284 82.537 23.712 1.00 43.00 H new ATOM 0 HA PHE A 43 -54.553 83.387 24.370 1.00 43.00 H new ATOM 0 HB2 PHE A 43 -56.654 82.464 26.379 1.00 43.00 H new ATOM 0 HB3 PHE A 43 -54.939 82.559 26.726 1.00 43.00 H new ATOM 0 HD1 PHE A 43 -53.919 84.620 27.336 1.00 43.00 H new ATOM 0 HD2 PHE A 43 -57.935 84.565 25.954 1.00 43.00 H new ATOM 0 HE1 PHE A 43 -54.211 86.938 28.094 1.00 43.00 H new ATOM 0 HE2 PHE A 43 -58.234 86.880 26.696 1.00 43.00 H new ATOM 0 HZ PHE A 43 -56.374 88.074 27.772 1.00 43.00 H new ATOM 677 N LEU A 44 -53.998 80.874 24.759 1.00 44.00 N ATOM 678 CA LEU A 44 -53.656 79.456 24.698 1.00 44.00 C ATOM 679 C LEU A 44 -54.274 78.763 25.902 1.00 44.00 C ATOM 680 O LEU A 44 -54.475 77.552 25.932 1.00 44.00 O ATOM 681 CB LEU A 44 -52.138 79.280 24.727 1.00 44.00 C ATOM 682 CG LEU A 44 -51.361 79.986 23.615 1.00 44.00 C ATOM 683 CD1 LEU A 44 -49.880 79.746 23.778 1.00 44.00 C ATOM 684 CD2 LEU A 44 -51.827 79.515 22.250 1.00 44.00 C ATOM 0 H LEU A 44 -53.234 81.474 25.071 1.00 44.00 H new ATOM 0 HA LEU A 44 -54.038 79.022 23.774 1.00 44.00 H new ATOM 0 HB2 LEU A 44 -51.768 79.641 25.687 1.00 44.00 H new ATOM 0 HB3 LEU A 44 -51.915 78.214 24.679 1.00 44.00 H new ATOM 0 HG LEU A 44 -51.552 81.057 23.689 1.00 44.00 H new ATOM 0 HD11 LEU A 44 -49.339 80.254 22.980 1.00 44.00 H new ATOM 0 HD12 LEU A 44 -49.553 80.134 24.743 1.00 44.00 H new ATOM 0 HD13 LEU A 44 -49.677 78.676 23.730 1.00 44.00 H new ATOM 0 HD21 LEU A 44 -51.261 80.030 21.474 1.00 44.00 H new ATOM 0 HD22 LEU A 44 -51.668 78.440 22.162 1.00 44.00 H new ATOM 0 HD23 LEU A 44 -52.888 79.735 22.132 1.00 44.00 H new ATOM 696 N ASN A 45 -54.580 79.569 26.889 1.00 45.00 N ATOM 697 CA ASN A 45 -55.183 79.123 28.129 1.00 45.00 C ATOM 698 C ASN A 45 -56.697 79.283 28.077 1.00 45.00 C ATOM 699 O ASN A 45 -57.393 79.090 29.078 1.00 45.00 O ATOM 700 CB ASN A 45 -54.597 79.902 29.324 1.00 45.00 C ATOM 701 CG ASN A 45 -53.124 79.589 29.598 1.00 45.00 C ATOM 702 OD1 ASN A 45 -52.363 79.227 28.701 1.00 45.00 O ATOM 703 ND2 ASN A 45 -52.711 79.746 30.821 1.00 45.00 N ATOM 0 H ASN A 45 -54.415 80.575 26.856 1.00 45.00 H new ATOM 0 HA ASN A 45 -54.955 78.065 28.261 1.00 45.00 H new ATOM 0 HB2 ASN A 45 -54.704 80.971 29.138 1.00 45.00 H new ATOM 0 HB3 ASN A 45 -55.180 79.674 30.216 1.00 45.00 H new ATOM 0 HD21 ASN A 45 -51.735 79.568 31.056 1.00 45.00 H new ATOM 0 HD22 ASN A 45 -53.363 80.047 31.545 1.00 45.00 H new ATOM 710 N ALA A 46 -57.203 79.610 26.909 1.00 46.00 N ATOM 711 CA ALA A 46 -58.630 79.767 26.705 1.00 46.00 C ATOM 712 C ALA A 46 -59.225 78.416 26.357 1.00 46.00 C ATOM 713 O ALA A 46 -58.494 77.530 25.875 1.00 46.00 O ATOM 714 CB ALA A 46 -58.895 80.746 25.570 1.00 46.00 C ATOM 0 H ALA A 46 -56.641 79.775 26.074 1.00 46.00 H new ATOM 0 HA ALA A 46 -59.086 80.155 27.616 1.00 46.00 H new ATOM 0 HB1 ALA A 46 -59.970 80.855 25.427 1.00 46.00 H new ATOM 0 HB2 ALA A 46 -58.462 81.715 25.817 1.00 46.00 H new ATOM 0 HB3 ALA A 46 -58.443 80.370 24.652 1.00 46.00 H new ATOM 720 N PRO A 47 -60.537 78.215 26.598 1.00 47.00 N ATOM 721 CA PRO A 47 -61.208 76.965 26.257 1.00 47.00 C ATOM 722 C PRO A 47 -61.076 76.670 24.768 1.00 47.00 C ATOM 723 O PRO A 47 -61.231 77.569 23.924 1.00 47.00 O ATOM 724 CB PRO A 47 -62.678 77.220 26.622 1.00 47.00 C ATOM 725 CG PRO A 47 -62.796 78.701 26.733 1.00 47.00 C ATOM 726 CD PRO A 47 -61.468 79.173 27.225 1.00 47.00 C ATOM 0 HA PRO A 47 -60.784 76.108 26.780 1.00 47.00 H new ATOM 0 HB2 PRO A 47 -63.348 76.827 25.858 1.00 47.00 H new ATOM 0 HB3 PRO A 47 -62.942 76.732 27.560 1.00 47.00 H new ATOM 0 HG2 PRO A 47 -63.039 79.148 25.769 1.00 47.00 H new ATOM 0 HG3 PRO A 47 -63.592 78.980 27.423 1.00 47.00 H new ATOM 0 HD2 PRO A 47 -61.263 80.199 26.918 1.00 47.00 H new ATOM 0 HD3 PRO A 47 -61.405 79.147 28.313 1.00 47.00 H new ATOM 734 N VAL A 48 -60.777 75.451 24.454 1.00 48.00 N ATOM 735 CA VAL A 48 -60.571 75.053 23.102 1.00 48.00 C ATOM 736 C VAL A 48 -61.905 74.699 22.441 1.00 48.00 C ATOM 737 O VAL A 48 -62.754 74.023 23.034 1.00 48.00 O ATOM 738 CB VAL A 48 -59.535 73.883 22.997 1.00 48.00 C ATOM 739 CG1 VAL A 48 -59.981 72.647 23.750 1.00 48.00 C ATOM 740 CG2 VAL A 48 -59.218 73.549 21.559 1.00 48.00 C ATOM 0 H VAL A 48 -60.668 74.699 25.135 1.00 48.00 H new ATOM 0 HA VAL A 48 -60.143 75.896 22.559 1.00 48.00 H new ATOM 0 HB VAL A 48 -58.621 74.239 23.473 1.00 48.00 H new ATOM 0 HG11 VAL A 48 -59.228 71.866 23.646 1.00 48.00 H new ATOM 0 HG12 VAL A 48 -60.108 72.890 24.805 1.00 48.00 H new ATOM 0 HG13 VAL A 48 -60.928 72.295 23.342 1.00 48.00 H new ATOM 0 HG21 VAL A 48 -58.496 72.733 21.526 1.00 48.00 H new ATOM 0 HG22 VAL A 48 -60.131 73.247 21.046 1.00 48.00 H new ATOM 0 HG23 VAL A 48 -58.798 74.426 21.066 1.00 48.00 H new ATOM 750 N GLY A 49 -62.098 75.195 21.244 1.00 49.00 N ATOM 751 CA GLY A 49 -63.315 74.925 20.522 1.00 49.00 C ATOM 752 C GLY A 49 -63.174 73.712 19.648 1.00 49.00 C ATOM 753 O GLY A 49 -64.161 73.080 19.265 1.00 49.00 O ATOM 0 H GLY A 49 -61.429 75.786 20.750 1.00 49.00 H new ATOM 0 HA2 GLY A 49 -64.133 74.775 21.227 1.00 49.00 H new ATOM 0 HA3 GLY A 49 -63.576 75.788 19.910 1.00 49.00 H new ATOM 757 N GLY A 50 -61.949 73.375 19.357 1.00 50.00 N ATOM 758 CA GLY A 50 -61.662 72.282 18.488 1.00 50.00 C ATOM 759 C GLY A 50 -60.513 72.650 17.610 1.00 50.00 C ATOM 760 O GLY A 50 -59.895 73.702 17.818 1.00 50.00 O ATOM 0 H GLY A 50 -61.125 73.854 19.719 1.00 50.00 H new ATOM 0 HA2 GLY A 50 -61.422 71.392 19.069 1.00 50.00 H new ATOM 0 HA3 GLY A 50 -62.536 72.042 17.883 1.00 50.00 H new ATOM 764 N ASN A 51 -60.158 71.809 16.701 1.00 51.00 N ATOM 765 CA ASN A 51 -59.112 72.142 15.754 1.00 51.00 C ATOM 766 C ASN A 51 -59.730 72.505 14.437 1.00 51.00 C ATOM 767 O ASN A 51 -60.729 71.916 14.025 1.00 51.00 O ATOM 768 CB ASN A 51 -58.079 71.010 15.549 1.00 51.00 C ATOM 769 CG ASN A 51 -57.129 70.771 16.726 1.00 51.00 C ATOM 770 OD1 ASN A 51 -57.574 71.010 17.928 1.00 51.00 O flip ATOM 771 ND2 ASN A 51 -55.990 70.365 16.536 1.00 51.00 N flip ATOM 0 H ASN A 51 -60.567 70.882 16.581 1.00 51.00 H new ATOM 0 HA ASN A 51 -58.566 72.987 16.174 1.00 51.00 H new ATOM 0 HB2 ASN A 51 -58.615 70.084 15.342 1.00 51.00 H new ATOM 0 HB3 ASN A 51 -57.485 71.238 14.664 1.00 51.00 H new ATOM 0 HD21 ASN A 51 -55.664 70.185 15.586 1.00 51.00 H new ATOM 0 HD22 ASN A 51 -55.366 70.207 17.327 1.00 51.00 H new ATOM 778 N LEU A 52 -59.189 73.497 13.819 1.00 52.00 N ATOM 779 CA LEU A 52 -59.608 73.909 12.524 1.00 52.00 C ATOM 780 C LEU A 52 -58.886 73.069 11.518 1.00 52.00 C ATOM 781 O LEU A 52 -57.657 72.999 11.552 1.00 52.00 O ATOM 782 CB LEU A 52 -59.249 75.361 12.272 1.00 52.00 C ATOM 783 CG LEU A 52 -59.679 75.886 10.913 1.00 52.00 C ATOM 784 CD1 LEU A 52 -61.156 76.186 10.882 1.00 52.00 C ATOM 785 CD2 LEU A 52 -58.857 77.066 10.482 1.00 52.00 C ATOM 0 H LEU A 52 -58.429 74.055 14.207 1.00 52.00 H new ATOM 0 HA LEU A 52 -60.689 73.796 12.447 1.00 52.00 H new ATOM 0 HB2 LEU A 52 -59.707 75.976 13.047 1.00 52.00 H new ATOM 0 HB3 LEU A 52 -58.170 75.478 12.368 1.00 52.00 H new ATOM 0 HG LEU A 52 -59.494 75.095 10.186 1.00 52.00 H new ATOM 0 HD11 LEU A 52 -61.431 76.560 9.896 1.00 52.00 H new ATOM 0 HD12 LEU A 52 -61.717 75.276 11.094 1.00 52.00 H new ATOM 0 HD13 LEU A 52 -61.390 76.940 11.634 1.00 52.00 H new ATOM 0 HD21 LEU A 52 -59.198 77.410 9.505 1.00 52.00 H new ATOM 0 HD22 LEU A 52 -58.967 77.871 11.209 1.00 52.00 H new ATOM 0 HD23 LEU A 52 -57.808 76.775 10.419 1.00 52.00 H new ATOM 797 N PRO A 53 -59.615 72.414 10.630 1.00 53.00 N ATOM 798 CA PRO A 53 -59.020 71.605 9.598 1.00 53.00 C ATOM 799 C PRO A 53 -58.131 72.420 8.657 1.00 53.00 C ATOM 800 O PRO A 53 -58.356 73.629 8.441 1.00 53.00 O ATOM 801 CB PRO A 53 -60.200 71.049 8.816 1.00 53.00 C ATOM 802 CG PRO A 53 -61.419 71.760 9.286 1.00 53.00 C ATOM 803 CD PRO A 53 -61.091 72.391 10.590 1.00 53.00 C ATOM 0 HA PRO A 53 -58.380 70.837 10.033 1.00 53.00 H new ATOM 0 HB2 PRO A 53 -60.056 71.199 7.746 1.00 53.00 H new ATOM 0 HB3 PRO A 53 -60.296 69.975 8.977 1.00 53.00 H new ATOM 0 HG2 PRO A 53 -61.727 72.514 8.562 1.00 53.00 H new ATOM 0 HG3 PRO A 53 -62.251 71.064 9.395 1.00 53.00 H new ATOM 0 HD2 PRO A 53 -61.505 73.397 10.659 1.00 53.00 H new ATOM 0 HD3 PRO A 53 -61.502 71.819 11.422 1.00 53.00 H new ATOM 811 N ALA A 54 -57.120 71.781 8.128 1.00 54.00 N ATOM 812 CA ALA A 54 -56.255 72.401 7.166 1.00 54.00 C ATOM 813 C ALA A 54 -57.042 72.603 5.878 1.00 54.00 C ATOM 814 O ALA A 54 -57.748 71.694 5.436 1.00 54.00 O ATOM 815 CB ALA A 54 -55.030 71.527 6.930 1.00 54.00 C ATOM 0 H ALA A 54 -56.876 70.817 8.354 1.00 54.00 H new ATOM 0 HA ALA A 54 -55.906 73.367 7.531 1.00 54.00 H new ATOM 0 HB1 ALA A 54 -54.378 72.004 6.198 1.00 54.00 H new ATOM 0 HB2 ALA A 54 -54.490 71.397 7.868 1.00 54.00 H new ATOM 0 HB3 ALA A 54 -55.345 70.553 6.555 1.00 54.00 H new ATOM 821 N GLY A 55 -56.976 73.783 5.319 1.00 55.00 N ATOM 822 CA GLY A 55 -57.713 74.062 4.108 1.00 55.00 C ATOM 823 C GLY A 55 -59.075 74.661 4.350 1.00 55.00 C ATOM 824 O GLY A 55 -59.814 74.921 3.402 1.00 55.00 O ATOM 0 H GLY A 55 -56.425 74.563 5.677 1.00 55.00 H new ATOM 0 HA2 GLY A 55 -57.131 74.744 3.488 1.00 55.00 H new ATOM 0 HA3 GLY A 55 -57.828 73.137 3.542 1.00 55.00 H new ATOM 828 N ALA A 56 -59.425 74.881 5.600 1.00 56.00 N ATOM 829 CA ALA A 56 -60.706 75.473 5.905 1.00 56.00 C ATOM 830 C ALA A 56 -60.665 76.966 5.682 1.00 56.00 C ATOM 831 O ALA A 56 -59.681 77.633 6.037 1.00 56.00 O ATOM 832 CB ALA A 56 -61.127 75.173 7.320 1.00 56.00 C ATOM 0 H ALA A 56 -58.847 74.661 6.411 1.00 56.00 H new ATOM 0 HA ALA A 56 -61.442 75.033 5.232 1.00 56.00 H new ATOM 0 HB1 ALA A 56 -62.095 75.633 7.517 1.00 56.00 H new ATOM 0 HB2 ALA A 56 -61.204 74.094 7.456 1.00 56.00 H new ATOM 0 HB3 ALA A 56 -60.387 75.574 8.013 1.00 56.00 H new ATOM 838 N THR A 57 -61.695 77.479 5.076 1.00 57.00 N ATOM 839 CA THR A 57 -61.818 78.875 4.838 1.00 57.00 C ATOM 840 C THR A 57 -62.669 79.531 5.928 1.00 57.00 C ATOM 841 O THR A 57 -63.847 79.208 6.107 1.00 57.00 O ATOM 842 CB THR A 57 -62.404 79.122 3.443 1.00 57.00 C ATOM 843 OG1 THR A 57 -63.500 78.224 3.219 1.00 57.00 O ATOM 844 CG2 THR A 57 -61.356 78.905 2.369 1.00 57.00 C ATOM 0 H THR A 57 -62.480 76.927 4.731 1.00 57.00 H new ATOM 0 HA THR A 57 -60.829 79.331 4.873 1.00 57.00 H new ATOM 0 HB THR A 57 -62.748 80.155 3.393 1.00 57.00 H new ATOM 0 HG1 THR A 57 -64.075 78.205 4.013 1.00 57.00 H new ATOM 0 HG21 THR A 57 -61.797 79.086 1.389 1.00 57.00 H new ATOM 0 HG22 THR A 57 -60.526 79.593 2.527 1.00 57.00 H new ATOM 0 HG23 THR A 57 -60.991 77.879 2.419 1.00 57.00 H new ATOM 852 N ILE A 58 -62.052 80.388 6.681 1.00 58.00 N ATOM 853 CA ILE A 58 -62.687 81.081 7.778 1.00 58.00 C ATOM 854 C ILE A 58 -62.998 82.509 7.410 1.00 58.00 C ATOM 855 O ILE A 58 -62.142 83.219 6.920 1.00 58.00 O ATOM 856 CB ILE A 58 -61.748 81.090 9.017 1.00 58.00 C ATOM 857 CG1 ILE A 58 -61.630 79.699 9.618 1.00 58.00 C ATOM 858 CG2 ILE A 58 -62.212 82.097 10.070 1.00 58.00 C ATOM 859 CD1 ILE A 58 -62.898 79.232 10.284 1.00 58.00 C ATOM 0 H ILE A 58 -61.071 80.636 6.554 1.00 58.00 H new ATOM 0 HA ILE A 58 -63.615 80.556 8.007 1.00 58.00 H new ATOM 0 HB ILE A 58 -60.761 81.402 8.676 1.00 58.00 H new ATOM 0 HG12 ILE A 58 -61.358 78.993 8.833 1.00 58.00 H new ATOM 0 HG13 ILE A 58 -60.820 79.693 10.348 1.00 58.00 H new ATOM 0 HG21 ILE A 58 -61.531 82.074 10.921 1.00 58.00 H new ATOM 0 HG22 ILE A 58 -62.220 83.098 9.638 1.00 58.00 H new ATOM 0 HG23 ILE A 58 -63.217 81.838 10.403 1.00 58.00 H new ATOM 0 HD11 ILE A 58 -62.748 78.233 10.692 1.00 58.00 H new ATOM 0 HD12 ILE A 58 -63.160 79.918 11.090 1.00 58.00 H new ATOM 0 HD13 ILE A 58 -63.705 79.207 9.552 1.00 58.00 H new ATOM 871 N VAL A 59 -64.198 82.926 7.648 1.00 59.00 N ATOM 872 CA VAL A 59 -64.521 84.305 7.479 1.00 59.00 C ATOM 873 C VAL A 59 -64.486 84.912 8.867 1.00 59.00 C ATOM 874 O VAL A 59 -65.284 84.538 9.733 1.00 59.00 O ATOM 875 CB VAL A 59 -65.931 84.493 6.872 1.00 59.00 C ATOM 876 CG1 VAL A 59 -66.216 85.964 6.617 1.00 59.00 C ATOM 877 CG2 VAL A 59 -66.085 83.681 5.594 1.00 59.00 C ATOM 0 H VAL A 59 -64.969 82.335 7.959 1.00 59.00 H new ATOM 0 HA VAL A 59 -63.816 84.778 6.796 1.00 59.00 H new ATOM 0 HB VAL A 59 -66.661 84.126 7.593 1.00 59.00 H new ATOM 0 HG11 VAL A 59 -67.213 86.073 6.190 1.00 59.00 H new ATOM 0 HG12 VAL A 59 -66.162 86.513 7.557 1.00 59.00 H new ATOM 0 HG13 VAL A 59 -65.478 86.362 5.921 1.00 59.00 H new ATOM 0 HG21 VAL A 59 -67.085 83.830 5.186 1.00 59.00 H new ATOM 0 HG22 VAL A 59 -65.344 84.007 4.864 1.00 59.00 H new ATOM 0 HG23 VAL A 59 -65.937 82.624 5.815 1.00 59.00 H new ATOM 887 N TYR A 60 -63.583 85.819 9.092 1.00 60.00 N ATOM 888 CA TYR A 60 -63.447 86.399 10.402 1.00 60.00 C ATOM 889 C TYR A 60 -63.776 87.859 10.358 1.00 60.00 C ATOM 890 O TYR A 60 -63.777 88.462 9.278 1.00 60.00 O ATOM 891 CB TYR A 60 -62.046 86.163 11.008 1.00 60.00 C ATOM 892 CG TYR A 60 -60.880 86.787 10.256 1.00 60.00 C ATOM 893 CD1 TYR A 60 -60.187 86.087 9.275 1.00 60.00 C ATOM 894 CD2 TYR A 60 -60.451 88.064 10.566 1.00 60.00 C ATOM 895 CE1 TYR A 60 -59.096 86.654 8.637 1.00 60.00 C ATOM 896 CE2 TYR A 60 -59.381 88.635 9.930 1.00 60.00 C ATOM 897 CZ TYR A 60 -58.703 87.934 8.972 1.00 60.00 C ATOM 898 OH TYR A 60 -57.601 88.504 8.372 1.00 60.00 O ATOM 0 H TYR A 60 -62.931 86.174 8.393 1.00 60.00 H new ATOM 0 HA TYR A 60 -64.158 85.896 11.058 1.00 60.00 H new ATOM 0 HB2 TYR A 60 -62.043 86.549 12.027 1.00 60.00 H new ATOM 0 HB3 TYR A 60 -61.877 85.088 11.074 1.00 60.00 H new ATOM 0 HD1 TYR A 60 -60.503 85.090 9.007 1.00 60.00 H new ATOM 0 HD2 TYR A 60 -60.972 88.625 11.328 1.00 60.00 H new ATOM 0 HE1 TYR A 60 -58.557 86.099 7.883 1.00 60.00 H new ATOM 0 HE2 TYR A 60 -59.073 89.638 10.185 1.00 60.00 H new ATOM 0 HH TYR A 60 -56.918 87.817 8.222 1.00 60.00 H new ATOM 908 N ASP A 61 -64.045 88.434 11.500 1.00 61.00 N ATOM 909 CA ASP A 61 -64.402 89.838 11.564 1.00 61.00 C ATOM 910 C ASP A 61 -63.444 90.608 12.431 1.00 61.00 C ATOM 911 O ASP A 61 -63.579 91.827 12.581 1.00 61.00 O ATOM 912 CB ASP A 61 -65.830 90.043 12.087 1.00 61.00 C ATOM 913 CG ASP A 61 -66.027 89.648 13.559 1.00 61.00 C ATOM 914 OD1 ASP A 61 -65.706 90.449 14.480 1.00 61.00 O ATOM 915 OD2 ASP A 61 -66.556 88.543 13.823 1.00 61.00 O1- ATOM 0 H ASP A 61 -64.025 87.958 12.402 1.00 61.00 H new ATOM 0 HA ASP A 61 -64.346 90.215 10.543 1.00 61.00 H new ATOM 0 HB2 ASP A 61 -66.102 91.091 11.965 1.00 61.00 H new ATOM 0 HB3 ASP A 61 -66.517 89.462 11.472 1.00 61.00 H new ATOM 920 N GLU A 62 -62.457 89.945 12.967 1.00 62.00 N ATOM 921 CA GLU A 62 -61.569 90.607 13.874 1.00 62.00 C ATOM 922 C GLU A 62 -60.230 89.908 13.902 1.00 62.00 C ATOM 923 O GLU A 62 -60.147 88.716 13.637 1.00 62.00 O ATOM 924 CB GLU A 62 -62.196 90.582 15.257 1.00 62.00 C ATOM 925 CG GLU A 62 -61.452 91.341 16.315 1.00 62.00 C ATOM 926 CD GLU A 62 -62.117 91.192 17.670 1.00 62.00 C ATOM 927 OE1 GLU A 62 -62.439 90.047 18.083 1.00 62.00 O ATOM 928 OE2 GLU A 62 -62.349 92.210 18.333 1.00 62.00 O1- ATOM 0 H GLU A 62 -62.251 88.961 12.794 1.00 62.00 H new ATOM 0 HA GLU A 62 -61.409 91.636 13.551 1.00 62.00 H new ATOM 0 HB2 GLU A 62 -63.206 90.986 15.187 1.00 62.00 H new ATOM 0 HB3 GLU A 62 -62.289 89.544 15.576 1.00 62.00 H new ATOM 0 HG2 GLU A 62 -60.425 90.980 16.370 1.00 62.00 H new ATOM 0 HG3 GLU A 62 -61.406 92.396 16.044 1.00 62.00 H new ATOM 935 N VAL A 63 -59.200 90.651 14.179 1.00 63.00 N ATOM 936 CA VAL A 63 -57.881 90.106 14.367 1.00 63.00 C ATOM 937 C VAL A 63 -57.426 90.581 15.728 1.00 63.00 C ATOM 938 O VAL A 63 -57.607 91.747 16.049 1.00 63.00 O ATOM 939 CB VAL A 63 -56.867 90.624 13.314 1.00 63.00 C ATOM 940 CG1 VAL A 63 -55.584 89.833 13.353 1.00 63.00 C ATOM 941 CG2 VAL A 63 -57.444 90.647 11.922 1.00 63.00 C ATOM 0 H VAL A 63 -59.249 91.665 14.283 1.00 63.00 H new ATOM 0 HA VAL A 63 -57.922 89.021 14.271 1.00 63.00 H new ATOM 0 HB VAL A 63 -56.640 91.656 13.582 1.00 63.00 H new ATOM 0 HG11 VAL A 63 -54.895 90.221 12.603 1.00 63.00 H new ATOM 0 HG12 VAL A 63 -55.132 89.921 14.341 1.00 63.00 H new ATOM 0 HG13 VAL A 63 -55.796 88.785 13.143 1.00 63.00 H new ATOM 0 HG21 VAL A 63 -56.694 91.017 11.223 1.00 63.00 H new ATOM 0 HG22 VAL A 63 -57.741 89.638 11.635 1.00 63.00 H new ATOM 0 HG23 VAL A 63 -58.315 91.302 11.900 1.00 63.00 H new ATOM 951 N CYS A 64 -56.900 89.704 16.520 1.00 64.00 N ATOM 952 CA CYS A 64 -56.431 90.044 17.844 1.00 64.00 C ATOM 953 C CYS A 64 -54.991 89.619 18.031 1.00 64.00 C ATOM 954 O CYS A 64 -54.490 88.798 17.289 1.00 64.00 O ATOM 955 CB CYS A 64 -57.306 89.384 18.904 1.00 64.00 C ATOM 956 SG CYS A 64 -59.027 89.895 18.855 1.00 64.00 S ATOM 0 H CYS A 64 -56.778 88.722 16.274 1.00 64.00 H new ATOM 0 HA CYS A 64 -56.492 91.127 17.955 1.00 64.00 H new ATOM 0 HB2 CYS A 64 -57.256 88.302 18.780 1.00 64.00 H new ATOM 0 HB3 CYS A 64 -56.899 89.611 19.889 1.00 64.00 H new ATOM 0 HG CYS A 64 -59.776 88.944 19.329 1.00 64.00 H new ATOM 962 N ILE A 65 -54.329 90.217 18.987 1.00 65.00 N ATOM 963 CA ILE A 65 -52.972 89.864 19.349 1.00 65.00 C ATOM 964 C ILE A 65 -52.911 89.623 20.841 1.00 65.00 C ATOM 965 O ILE A 65 -53.290 90.511 21.643 1.00 65.00 O ATOM 966 CB ILE A 65 -51.949 90.972 18.962 1.00 65.00 C ATOM 967 CG1 ILE A 65 -51.959 91.182 17.450 1.00 65.00 C ATOM 968 CG2 ILE A 65 -50.536 90.619 19.454 1.00 65.00 C ATOM 969 CD1 ILE A 65 -51.011 92.243 16.957 1.00 65.00 C ATOM 0 H ILE A 65 -54.719 90.975 19.547 1.00 65.00 H new ATOM 0 HA ILE A 65 -52.701 88.964 18.797 1.00 65.00 H new ATOM 0 HB ILE A 65 -52.244 91.901 19.450 1.00 65.00 H new ATOM 0 HG12 ILE A 65 -51.712 90.238 16.964 1.00 65.00 H new ATOM 0 HG13 ILE A 65 -52.970 91.445 17.140 1.00 65.00 H new ATOM 0 HG21 ILE A 65 -49.843 91.411 19.169 1.00 65.00 H new ATOM 0 HG22 ILE A 65 -50.544 90.516 20.539 1.00 65.00 H new ATOM 0 HG23 ILE A 65 -50.218 89.679 19.003 1.00 65.00 H new ATOM 0 HD11 ILE A 65 -51.086 92.323 15.873 1.00 65.00 H new ATOM 0 HD12 ILE A 65 -51.269 93.200 17.410 1.00 65.00 H new ATOM 0 HD13 ILE A 65 -49.991 91.975 17.231 1.00 65.00 H new ATOM 981 N GLN A 66 -52.479 88.437 21.213 1.00 66.00 N ATOM 982 CA GLN A 66 -52.352 88.052 22.596 1.00 66.00 C ATOM 983 C GLN A 66 -51.618 86.724 22.655 1.00 66.00 C ATOM 984 O GLN A 66 -51.669 85.950 21.689 1.00 66.00 O ATOM 985 CB GLN A 66 -53.739 87.901 23.230 1.00 66.00 C ATOM 986 CG GLN A 66 -53.731 87.810 24.745 1.00 66.00 C ATOM 987 CD GLN A 66 -53.212 89.076 25.428 1.00 66.00 C ATOM 988 OE1 GLN A 66 -53.381 90.217 24.799 1.00 66.00 O flip ATOM 989 NE2 GLN A 66 -52.645 89.014 26.515 1.00 66.00 N flip ATOM 0 H GLN A 66 -52.204 87.708 20.555 1.00 66.00 H new ATOM 0 HA GLN A 66 -51.801 88.816 23.144 1.00 66.00 H new ATOM 0 HB2 GLN A 66 -54.355 88.750 22.933 1.00 66.00 H new ATOM 0 HB3 GLN A 66 -54.213 87.006 22.827 1.00 66.00 H new ATOM 0 HG2 GLN A 66 -54.743 87.607 25.094 1.00 66.00 H new ATOM 0 HG3 GLN A 66 -53.114 86.964 25.047 1.00 66.00 H new ATOM 0 HE21 GLN A 66 -52.529 88.113 26.979 1.00 66.00 H new ATOM 0 HE22 GLN A 66 -52.290 89.863 26.954 1.00 66.00 H new ATOM 998 N ALA A 67 -50.889 86.490 23.747 1.00 67.00 N ATOM 999 CA ALA A 67 -50.170 85.231 23.995 1.00 67.00 C ATOM 1000 C ALA A 67 -49.094 84.999 22.929 1.00 67.00 C ATOM 1001 O ALA A 67 -48.778 83.856 22.577 1.00 67.00 O ATOM 1002 CB ALA A 67 -51.153 84.050 24.061 1.00 67.00 C ATOM 0 H ALA A 67 -50.777 87.174 24.495 1.00 67.00 H new ATOM 0 HA ALA A 67 -49.670 85.305 24.960 1.00 67.00 H new ATOM 0 HB1 ALA A 67 -50.602 83.128 24.245 1.00 67.00 H new ATOM 0 HB2 ALA A 67 -51.866 84.214 24.869 1.00 67.00 H new ATOM 0 HB3 ALA A 67 -51.689 83.970 23.115 1.00 67.00 H new ATOM 1008 N GLY A 68 -48.544 86.104 22.419 1.00 68.00 N ATOM 1009 CA GLY A 68 -47.507 86.060 21.391 1.00 68.00 C ATOM 1010 C GLY A 68 -48.035 85.606 20.041 1.00 68.00 C ATOM 1011 O GLY A 68 -47.274 85.338 19.114 1.00 68.00 O ATOM 0 H GLY A 68 -48.804 87.047 22.706 1.00 68.00 H new ATOM 0 HA2 GLY A 68 -47.062 87.050 21.288 1.00 68.00 H new ATOM 0 HA3 GLY A 68 -46.713 85.385 21.711 1.00 68.00 H new ATOM 1015 N HIS A 69 -49.326 85.481 19.938 1.00 69.00 N ATOM 1016 CA HIS A 69 -49.949 85.033 18.730 1.00 69.00 C ATOM 1017 C HIS A 69 -50.906 86.060 18.197 1.00 69.00 C ATOM 1018 O HIS A 69 -51.383 86.926 18.938 1.00 69.00 O ATOM 1019 CB HIS A 69 -50.663 83.693 18.944 1.00 69.00 C ATOM 1020 CG HIS A 69 -49.742 82.526 19.149 1.00 69.00 C ATOM 1021 ND1 HIS A 69 -49.164 82.204 20.362 1.00 69.00 N ATOM 1022 CD2 HIS A 69 -49.309 81.594 18.277 1.00 69.00 C ATOM 1023 CE1 HIS A 69 -48.428 81.126 20.216 1.00 69.00 C ATOM 1024 NE2 HIS A 69 -48.499 80.742 18.967 1.00 69.00 N ATOM 0 H HIS A 69 -49.978 85.688 20.694 1.00 69.00 H new ATOM 0 HA HIS A 69 -49.162 84.888 17.989 1.00 69.00 H new ATOM 0 HB2 HIS A 69 -51.319 83.779 19.810 1.00 69.00 H new ATOM 0 HB3 HIS A 69 -51.298 83.492 18.081 1.00 69.00 H new ATOM 0 HD1 HIS A 69 -49.289 82.721 21.232 1.00 69.00 H new ATOM 0 HD2 HIS A 69 -49.557 81.534 17.228 1.00 69.00 H new ATOM 0 HE1 HIS A 69 -47.860 80.639 20.995 1.00 69.00 H new ATOM 1033 N ILE A 70 -51.161 85.979 16.926 1.00 70.00 N ATOM 1034 CA ILE A 70 -52.164 86.780 16.298 1.00 70.00 C ATOM 1035 C ILE A 70 -53.336 85.859 16.045 1.00 70.00 C ATOM 1036 O ILE A 70 -53.142 84.715 15.599 1.00 70.00 O ATOM 1037 CB ILE A 70 -51.670 87.415 14.974 1.00 70.00 C ATOM 1038 CG1 ILE A 70 -50.437 88.279 15.240 1.00 70.00 C ATOM 1039 CG2 ILE A 70 -52.767 88.229 14.314 1.00 70.00 C ATOM 1040 CD1 ILE A 70 -49.970 89.119 14.065 1.00 70.00 C ATOM 0 H ILE A 70 -50.673 85.348 16.291 1.00 70.00 H new ATOM 0 HA ILE A 70 -52.435 87.618 16.940 1.00 70.00 H new ATOM 0 HB ILE A 70 -51.397 86.614 14.287 1.00 70.00 H new ATOM 0 HG12 ILE A 70 -50.652 88.943 16.078 1.00 70.00 H new ATOM 0 HG13 ILE A 70 -49.618 87.630 15.550 1.00 70.00 H new ATOM 0 HG21 ILE A 70 -52.391 88.662 13.387 1.00 70.00 H new ATOM 0 HG22 ILE A 70 -53.617 87.583 14.094 1.00 70.00 H new ATOM 0 HG23 ILE A 70 -53.082 89.027 14.986 1.00 70.00 H new ATOM 0 HD11 ILE A 70 -49.091 89.694 14.356 1.00 70.00 H new ATOM 0 HD12 ILE A 70 -49.717 88.467 13.229 1.00 70.00 H new ATOM 0 HD13 ILE A 70 -50.767 89.800 13.765 1.00 70.00 H new ATOM 1052 N TRP A 71 -54.508 86.324 16.327 1.00 71.00 N ATOM 1053 CA TRP A 71 -55.685 85.507 16.313 1.00 71.00 C ATOM 1054 C TRP A 71 -56.713 86.143 15.447 1.00 71.00 C ATOM 1055 O TRP A 71 -56.682 87.342 15.231 1.00 71.00 O ATOM 1056 CB TRP A 71 -56.279 85.408 17.726 1.00 71.00 C ATOM 1057 CG TRP A 71 -55.359 84.876 18.778 1.00 71.00 C ATOM 1058 CD1 TRP A 71 -54.370 85.555 19.421 1.00 71.00 C ATOM 1059 CD2 TRP A 71 -55.378 83.570 19.344 1.00 71.00 C ATOM 1060 NE1 TRP A 71 -53.755 84.742 20.327 1.00 71.00 N ATOM 1061 CE2 TRP A 71 -54.355 83.518 20.306 1.00 71.00 C ATOM 1062 CE3 TRP A 71 -56.154 82.438 19.125 1.00 71.00 C ATOM 1063 CZ2 TRP A 71 -54.090 82.376 21.049 1.00 71.00 C ATOM 1064 CZ3 TRP A 71 -55.894 81.308 19.864 1.00 71.00 C ATOM 1065 CH2 TRP A 71 -54.871 81.282 20.813 1.00 71.00 C ATOM 0 H TRP A 71 -54.682 87.297 16.578 1.00 71.00 H new ATOM 0 HA TRP A 71 -55.413 84.518 15.945 1.00 71.00 H new ATOM 0 HB2 TRP A 71 -56.615 86.400 18.030 1.00 71.00 H new ATOM 0 HB3 TRP A 71 -57.163 84.771 17.685 1.00 71.00 H new ATOM 0 HD1 TRP A 71 -54.110 86.588 19.240 1.00 71.00 H new ATOM 0 HE1 TRP A 71 -52.972 85.007 20.924 1.00 71.00 H new ATOM 0 HE3 TRP A 71 -56.945 82.446 18.390 1.00 71.00 H new ATOM 0 HZ2 TRP A 71 -53.299 82.354 21.783 1.00 71.00 H new ATOM 0 HZ3 TRP A 71 -56.493 80.423 19.707 1.00 71.00 H new ATOM 0 HH2 TRP A 71 -54.693 80.376 21.373 1.00 71.00 H new ATOM 1076 N ILE A 72 -57.596 85.362 14.950 1.00 72.00 N ATOM 1077 CA ILE A 72 -58.717 85.865 14.227 1.00 72.00 C ATOM 1078 C ILE A 72 -59.974 85.582 15.005 1.00 72.00 C ATOM 1079 O ILE A 72 -60.145 84.485 15.546 1.00 72.00 O ATOM 1080 CB ILE A 72 -58.823 85.291 12.809 1.00 72.00 C ATOM 1081 CG1 ILE A 72 -58.845 83.759 12.841 1.00 72.00 C ATOM 1082 CG2 ILE A 72 -57.669 85.817 11.958 1.00 72.00 C ATOM 1083 CD1 ILE A 72 -59.210 83.130 11.527 1.00 72.00 C ATOM 0 H ILE A 72 -57.568 84.346 15.030 1.00 72.00 H new ATOM 0 HA ILE A 72 -58.578 86.940 14.110 1.00 72.00 H new ATOM 0 HB ILE A 72 -59.761 85.616 12.359 1.00 72.00 H new ATOM 0 HG12 ILE A 72 -57.863 83.397 13.146 1.00 72.00 H new ATOM 0 HG13 ILE A 72 -59.555 83.431 13.600 1.00 72.00 H new ATOM 0 HG21 ILE A 72 -57.745 85.409 10.950 1.00 72.00 H new ATOM 0 HG22 ILE A 72 -57.716 86.905 11.913 1.00 72.00 H new ATOM 0 HG23 ILE A 72 -56.721 85.513 12.402 1.00 72.00 H new ATOM 0 HD11 ILE A 72 -59.204 82.045 11.629 1.00 72.00 H new ATOM 0 HD12 ILE A 72 -60.205 83.461 11.229 1.00 72.00 H new ATOM 0 HD13 ILE A 72 -58.486 83.427 10.768 1.00 72.00 H new ATOM 1095 N GLY A 73 -60.804 86.568 15.102 1.00 73.00 N ATOM 1096 CA GLY A 73 -62.016 86.451 15.828 1.00 73.00 C ATOM 1097 C GLY A 73 -63.173 86.278 14.914 1.00 73.00 C ATOM 1098 O GLY A 73 -63.416 87.119 14.028 1.00 73.00 O ATOM 0 H GLY A 73 -60.655 87.482 14.675 1.00 73.00 H new ATOM 0 HA2 GLY A 73 -61.956 85.601 16.508 1.00 73.00 H new ATOM 0 HA3 GLY A 73 -62.163 87.340 16.441 1.00 73.00 H new ATOM 1102 N TYR A 74 -63.852 85.193 15.072 1.00 74.00 N ATOM 1103 CA TYR A 74 -65.015 84.912 14.302 1.00 74.00 C ATOM 1104 C TYR A 74 -66.030 84.236 15.179 1.00 74.00 C ATOM 1105 O TYR A 74 -65.743 83.919 16.329 1.00 74.00 O ATOM 1106 CB TYR A 74 -64.681 84.076 13.049 1.00 74.00 C ATOM 1107 CG TYR A 74 -64.006 82.742 13.300 1.00 74.00 C ATOM 1108 CD1 TYR A 74 -62.640 82.672 13.545 1.00 74.00 C ATOM 1109 CD2 TYR A 74 -64.724 81.558 13.253 1.00 74.00 C ATOM 1110 CE1 TYR A 74 -62.010 81.465 13.737 1.00 74.00 C ATOM 1111 CE2 TYR A 74 -64.103 80.343 13.452 1.00 74.00 C ATOM 1112 CZ TYR A 74 -62.744 80.302 13.692 1.00 74.00 C ATOM 1113 OH TYR A 74 -62.116 79.089 13.867 1.00 74.00 O ATOM 0 H TYR A 74 -63.612 84.468 15.748 1.00 74.00 H new ATOM 0 HA TYR A 74 -65.437 85.847 13.934 1.00 74.00 H new ATOM 0 HB2 TYR A 74 -65.605 83.895 12.500 1.00 74.00 H new ATOM 0 HB3 TYR A 74 -64.037 84.670 12.401 1.00 74.00 H new ATOM 0 HD1 TYR A 74 -62.062 83.583 13.585 1.00 74.00 H new ATOM 0 HD2 TYR A 74 -65.786 81.587 13.058 1.00 74.00 H new ATOM 0 HE1 TYR A 74 -60.947 81.430 13.922 1.00 74.00 H new ATOM 0 HE2 TYR A 74 -64.677 79.428 13.420 1.00 74.00 H new ATOM 0 HH TYR A 74 -62.776 78.367 13.808 1.00 74.00 H new ATOM 1203 N ARG A 81 -67.424 82.745 20.326 1.00 81.00 N ATOM 1204 CA ARG A 81 -66.404 83.618 19.803 1.00 81.00 C ATOM 1205 C ARG A 81 -65.179 82.787 19.582 1.00 81.00 C ATOM 1206 O ARG A 81 -64.445 82.524 20.502 1.00 81.00 O ATOM 1207 CB ARG A 81 -66.077 84.754 20.776 1.00 81.00 C ATOM 1208 CG ARG A 81 -65.245 85.871 20.160 1.00 81.00 C ATOM 1209 CD ARG A 81 -65.867 86.407 18.875 1.00 81.00 C ATOM 1210 NE ARG A 81 -65.156 87.589 18.363 1.00 81.00 N ATOM 1211 CZ ARG A 81 -65.381 88.164 17.169 1.00 81.00 C ATOM 1212 NH1 ARG A 81 -66.292 87.665 16.344 1.00 81.00 N1+ ATOM 1213 NH2 ARG A 81 -64.687 89.223 16.798 1.00 81.00 N ATOM 0 HA ARG A 81 -66.756 84.074 18.878 1.00 81.00 H new ATOM 0 HB2 ARG A 81 -67.008 85.174 21.155 1.00 81.00 H new ATOM 0 HB3 ARG A 81 -65.541 84.344 21.632 1.00 81.00 H new ATOM 0 HG2 ARG A 81 -65.141 86.684 20.879 1.00 81.00 H new ATOM 0 HG3 ARG A 81 -64.241 85.501 19.950 1.00 81.00 H new ATOM 0 HD2 ARG A 81 -65.860 85.624 18.116 1.00 81.00 H new ATOM 0 HD3 ARG A 81 -66.910 86.664 19.058 1.00 81.00 H new ATOM 0 HE ARG A 81 -64.439 88.003 18.959 1.00 81.00 H new ATOM 0 HH11 ARG A 81 -66.827 86.840 16.614 1.00 81.00 H new ATOM 0 HH12 ARG A 81 -66.457 88.107 15.440 1.00 81.00 H new ATOM 0 HH21 ARG A 81 -63.975 89.609 17.418 1.00 81.00 H new ATOM 0 HH22 ARG A 81 -64.862 89.655 15.891 1.00 81.00 H new ATOM 1227 N VAL A 82 -64.973 82.359 18.404 1.00 82.00 N ATOM 1228 CA VAL A 82 -63.889 81.467 18.159 1.00 82.00 C ATOM 1229 C VAL A 82 -62.691 82.227 17.672 1.00 82.00 C ATOM 1230 O VAL A 82 -62.790 83.084 16.785 1.00 82.00 O ATOM 1231 CB VAL A 82 -64.260 80.319 17.188 1.00 82.00 C ATOM 1232 CG1 VAL A 82 -63.140 79.302 17.080 1.00 82.00 C ATOM 1233 CG2 VAL A 82 -65.536 79.640 17.630 1.00 82.00 C ATOM 0 H VAL A 82 -65.532 82.603 17.586 1.00 82.00 H new ATOM 0 HA VAL A 82 -63.644 80.991 19.108 1.00 82.00 H new ATOM 0 HB VAL A 82 -64.415 80.759 16.203 1.00 82.00 H new ATOM 0 HG11 VAL A 82 -63.433 78.510 16.391 1.00 82.00 H new ATOM 0 HG12 VAL A 82 -62.239 79.791 16.709 1.00 82.00 H new ATOM 0 HG13 VAL A 82 -62.942 78.873 18.062 1.00 82.00 H new ATOM 0 HG21 VAL A 82 -65.780 78.836 16.935 1.00 82.00 H new ATOM 0 HG22 VAL A 82 -65.401 79.227 18.630 1.00 82.00 H new ATOM 0 HG23 VAL A 82 -66.349 80.366 17.644 1.00 82.00 H new ATOM 1243 N TYR A 83 -61.595 81.956 18.297 1.00 83.00 N ATOM 1244 CA TYR A 83 -60.342 82.557 17.965 1.00 83.00 C ATOM 1245 C TYR A 83 -59.381 81.526 17.458 1.00 83.00 C ATOM 1246 O TYR A 83 -59.121 80.527 18.120 1.00 83.00 O ATOM 1247 CB TYR A 83 -59.740 83.315 19.151 1.00 83.00 C ATOM 1248 CG TYR A 83 -60.402 84.635 19.425 1.00 83.00 C ATOM 1249 CD1 TYR A 83 -60.024 85.760 18.716 1.00 83.00 C ATOM 1250 CD2 TYR A 83 -61.396 84.765 20.378 1.00 83.00 C ATOM 1251 CE1 TYR A 83 -60.615 86.977 18.941 1.00 83.00 C ATOM 1252 CE2 TYR A 83 -61.990 85.986 20.612 1.00 83.00 C ATOM 1253 CZ TYR A 83 -61.595 87.089 19.886 1.00 83.00 C ATOM 1254 OH TYR A 83 -62.202 88.305 20.098 1.00 83.00 O ATOM 0 H TYR A 83 -61.542 81.295 19.072 1.00 83.00 H new ATOM 0 HA TYR A 83 -60.529 83.283 17.174 1.00 83.00 H new ATOM 0 HB2 TYR A 83 -59.811 82.692 20.042 1.00 83.00 H new ATOM 0 HB3 TYR A 83 -58.680 83.483 18.963 1.00 83.00 H new ATOM 0 HD1 TYR A 83 -59.248 85.679 17.970 1.00 83.00 H new ATOM 0 HD2 TYR A 83 -61.710 83.901 20.944 1.00 83.00 H new ATOM 0 HE1 TYR A 83 -60.307 87.843 18.374 1.00 83.00 H new ATOM 0 HE2 TYR A 83 -62.762 86.078 21.361 1.00 83.00 H new ATOM 0 HH TYR A 83 -62.107 88.862 19.297 1.00 83.00 H new ATOM 1264 N CYS A 84 -58.892 81.745 16.289 1.00 84.00 N ATOM 1265 CA CYS A 84 -57.924 80.872 15.699 1.00 84.00 C ATOM 1266 C CYS A 84 -56.614 81.623 15.587 1.00 84.00 C ATOM 1267 O CYS A 84 -56.604 82.763 15.113 1.00 84.00 O ATOM 1268 CB CYS A 84 -58.391 80.414 14.307 1.00 84.00 C ATOM 1269 SG CYS A 84 -57.267 79.271 13.464 1.00 84.00 S ATOM 0 H CYS A 84 -59.151 82.540 15.705 1.00 84.00 H new ATOM 0 HA CYS A 84 -57.798 79.985 16.320 1.00 84.00 H new ATOM 0 HB2 CYS A 84 -59.365 79.936 14.406 1.00 84.00 H new ATOM 0 HB3 CYS A 84 -58.530 81.294 13.679 1.00 84.00 H new ATOM 0 HG CYS A 84 -56.041 79.674 13.619 1.00 84.00 H new ATOM 1275 N PRO A 85 -55.510 81.048 16.071 1.00 85.00 N ATOM 1276 CA PRO A 85 -54.215 81.655 15.919 1.00 85.00 C ATOM 1277 C PRO A 85 -53.771 81.493 14.480 1.00 85.00 C ATOM 1278 O PRO A 85 -53.849 80.412 13.915 1.00 85.00 O ATOM 1279 CB PRO A 85 -53.310 80.885 16.883 1.00 85.00 C ATOM 1280 CG PRO A 85 -53.985 79.573 17.106 1.00 85.00 C ATOM 1281 CD PRO A 85 -55.448 79.757 16.778 1.00 85.00 C ATOM 0 HA PRO A 85 -54.199 82.722 16.141 1.00 85.00 H new ATOM 0 HB2 PRO A 85 -52.315 80.747 16.460 1.00 85.00 H new ATOM 0 HB3 PRO A 85 -53.186 81.426 17.821 1.00 85.00 H new ATOM 0 HG2 PRO A 85 -53.544 78.802 16.474 1.00 85.00 H new ATOM 0 HG3 PRO A 85 -53.861 79.248 18.139 1.00 85.00 H new ATOM 0 HD2 PRO A 85 -55.820 78.945 16.153 1.00 85.00 H new ATOM 0 HD3 PRO A 85 -56.058 79.770 17.681 1.00 85.00 H new ATOM 1289 N VAL A 86 -53.378 82.561 13.874 1.00 86.00 N ATOM 1290 CA VAL A 86 -53.047 82.521 12.469 1.00 86.00 C ATOM 1291 C VAL A 86 -51.588 82.772 12.198 1.00 86.00 C ATOM 1292 O VAL A 86 -51.125 82.558 11.082 1.00 86.00 O ATOM 1293 CB VAL A 86 -53.913 83.502 11.659 1.00 86.00 C ATOM 1294 CG1 VAL A 86 -55.352 83.048 11.678 1.00 86.00 C ATOM 1295 CG2 VAL A 86 -53.800 84.921 12.215 1.00 86.00 C ATOM 0 H VAL A 86 -53.275 83.474 14.316 1.00 86.00 H new ATOM 0 HA VAL A 86 -53.264 81.504 12.143 1.00 86.00 H new ATOM 0 HB VAL A 86 -53.552 83.513 10.631 1.00 86.00 H new ATOM 0 HG11 VAL A 86 -55.961 83.746 11.103 1.00 86.00 H new ATOM 0 HG12 VAL A 86 -55.426 82.054 11.237 1.00 86.00 H new ATOM 0 HG13 VAL A 86 -55.710 83.016 12.707 1.00 86.00 H new ATOM 0 HG21 VAL A 86 -54.422 85.594 11.624 1.00 86.00 H new ATOM 0 HG22 VAL A 86 -54.136 84.933 13.252 1.00 86.00 H new ATOM 0 HG23 VAL A 86 -52.762 85.249 12.166 1.00 86.00 H new ATOM 1305 N ARG A 87 -50.873 83.236 13.209 1.00 87.00 N ATOM 1306 CA ARG A 87 -49.455 83.541 13.100 1.00 87.00 C ATOM 1307 C ARG A 87 -48.965 84.011 14.447 1.00 87.00 C ATOM 1308 O ARG A 87 -49.764 84.135 15.390 1.00 87.00 O ATOM 1309 CB ARG A 87 -49.212 84.614 12.013 1.00 87.00 C ATOM 1310 CG ARG A 87 -49.862 85.944 12.284 1.00 87.00 C ATOM 1311 CD ARG A 87 -50.033 86.764 11.016 1.00 87.00 C ATOM 1312 NE ARG A 87 -48.784 86.994 10.281 1.00 87.00 N ATOM 1313 CZ ARG A 87 -48.672 87.822 9.233 1.00 87.00 C ATOM 1314 NH1 ARG A 87 -49.727 88.515 8.809 1.00 87.00 N1+ ATOM 1315 NH2 ARG A 87 -47.510 87.946 8.617 1.00 87.00 N ATOM 0 H ARG A 87 -51.262 83.413 14.135 1.00 87.00 H new ATOM 0 HA ARG A 87 -48.903 82.649 12.803 1.00 87.00 H new ATOM 0 HB2 ARG A 87 -48.138 84.765 11.905 1.00 87.00 H new ATOM 0 HB3 ARG A 87 -49.578 84.234 11.059 1.00 87.00 H new ATOM 0 HG2 ARG A 87 -50.836 85.784 12.746 1.00 87.00 H new ATOM 0 HG3 ARG A 87 -49.258 86.503 12.999 1.00 87.00 H new ATOM 0 HD2 ARG A 87 -50.740 86.257 10.360 1.00 87.00 H new ATOM 0 HD3 ARG A 87 -50.473 87.727 11.275 1.00 87.00 H new ATOM 0 HE ARG A 87 -47.950 86.493 10.586 1.00 87.00 H new ATOM 0 HH11 ARG A 87 -50.625 88.417 9.282 1.00 87.00 H new ATOM 0 HH12 ARG A 87 -49.637 89.144 8.011 1.00 87.00 H new ATOM 0 HH21 ARG A 87 -46.702 87.413 8.939 1.00 87.00 H new ATOM 0 HH22 ARG A 87 -47.420 88.575 7.819 1.00 87.00 H new ATOM 1329 N THR A 88 -47.701 84.245 14.558 1.00 88.00 N ATOM 1330 CA THR A 88 -47.120 84.709 15.779 1.00 88.00 C ATOM 1331 C THR A 88 -46.937 86.225 15.738 1.00 88.00 C ATOM 1332 O THR A 88 -47.038 86.837 14.662 1.00 88.00 O ATOM 1333 CB THR A 88 -45.771 84.016 15.988 1.00 88.00 C ATOM 1334 OG1 THR A 88 -45.018 84.073 14.755 1.00 88.00 O ATOM 1335 CG2 THR A 88 -45.974 82.570 16.395 1.00 88.00 C ATOM 0 H THR A 88 -47.033 84.119 13.798 1.00 88.00 H new ATOM 0 HA THR A 88 -47.784 84.469 16.610 1.00 88.00 H new ATOM 0 HB THR A 88 -45.226 84.525 16.783 1.00 88.00 H new ATOM 0 HG1 THR A 88 -44.151 83.633 14.880 1.00 88.00 H new ATOM 0 HG21 THR A 88 -45.005 82.093 16.539 1.00 88.00 H new ATOM 0 HG22 THR A 88 -46.540 82.530 17.326 1.00 88.00 H new ATOM 0 HG23 THR A 88 -46.524 82.046 15.613 1.00 88.00 H new ATOM 1343 N CYS A 89 -46.720 86.817 16.883 1.00 89.00 N ATOM 1344 CA CYS A 89 -46.453 88.221 16.991 1.00 89.00 C ATOM 1345 C CYS A 89 -45.524 88.460 18.144 1.00 89.00 C ATOM 1346 O CYS A 89 -45.865 88.179 19.305 1.00 89.00 O ATOM 1347 CB CYS A 89 -47.733 89.026 17.183 1.00 89.00 C ATOM 1348 SG CYS A 89 -47.481 90.810 17.332 1.00 89.00 S ATOM 0 H CYS A 89 -46.725 86.327 17.778 1.00 89.00 H new ATOM 0 HA CYS A 89 -45.991 88.553 16.061 1.00 89.00 H new ATOM 0 HB2 CYS A 89 -48.397 88.835 16.340 1.00 89.00 H new ATOM 0 HB3 CYS A 89 -48.242 88.668 18.078 1.00 89.00 H new ATOM 0 HG CYS A 89 -47.189 91.106 18.564 1.00 89.00 H new ATOM 1354 N GLN A 90 -44.353 88.936 17.839 1.00 90.00 N ATOM 1355 CA GLN A 90 -43.404 89.256 18.849 1.00 90.00 C ATOM 1356 C GLN A 90 -43.742 90.641 19.375 1.00 90.00 C ATOM 1357 O GLN A 90 -43.539 91.646 18.676 1.00 90.00 O ATOM 1358 CB GLN A 90 -41.998 89.256 18.275 1.00 90.00 C ATOM 1359 CG GLN A 90 -40.911 89.073 19.311 1.00 90.00 C ATOM 1360 CD GLN A 90 -39.544 89.085 18.687 1.00 90.00 C ATOM 1361 OE1 GLN A 90 -39.024 88.048 18.271 1.00 90.00 O ATOM 1362 NE2 GLN A 90 -38.951 90.236 18.606 1.00 90.00 N ATOM 0 H GLN A 90 -44.035 89.111 16.886 1.00 90.00 H new ATOM 0 HA GLN A 90 -43.443 88.516 19.649 1.00 90.00 H new ATOM 0 HB2 GLN A 90 -41.919 88.459 17.535 1.00 90.00 H new ATOM 0 HB3 GLN A 90 -41.831 90.196 17.750 1.00 90.00 H new ATOM 0 HG2 GLN A 90 -40.979 89.867 20.055 1.00 90.00 H new ATOM 0 HG3 GLN A 90 -41.063 88.130 19.836 1.00 90.00 H new ATOM 0 HE21 GLN A 90 -39.412 91.074 18.961 1.00 90.00 H new ATOM 0 HE22 GLN A 90 -38.023 90.303 18.187 1.00 90.00 H new ATOM 1371 N GLY A 91 -44.311 90.688 20.539 1.00 91.00 N ATOM 1372 CA GLY A 91 -44.663 91.939 21.144 1.00 91.00 C ATOM 1373 C GLY A 91 -46.066 92.372 20.780 1.00 91.00 C ATOM 1374 O GLY A 91 -46.838 91.601 20.190 1.00 91.00 O ATOM 0 H GLY A 91 -44.545 89.866 21.096 1.00 91.00 H new ATOM 0 HA2 GLY A 91 -44.580 91.853 22.227 1.00 91.00 H new ATOM 0 HA3 GLY A 91 -43.954 92.705 20.830 1.00 91.00 H new ATOM 1378 N VAL A 92 -46.390 93.586 21.120 1.00 92.00 N ATOM 1379 CA VAL A 92 -47.690 94.155 20.853 1.00 92.00 C ATOM 1380 C VAL A 92 -47.544 95.406 20.006 1.00 92.00 C ATOM 1381 O VAL A 92 -46.509 96.072 20.068 1.00 92.00 O ATOM 1382 CB VAL A 92 -48.480 94.480 22.160 1.00 92.00 C ATOM 1383 CG1 VAL A 92 -48.949 93.205 22.829 1.00 92.00 C ATOM 1384 CG2 VAL A 92 -47.635 95.305 23.129 1.00 92.00 C ATOM 0 H VAL A 92 -45.752 94.223 21.598 1.00 92.00 H new ATOM 0 HA VAL A 92 -48.265 93.406 20.309 1.00 92.00 H new ATOM 0 HB VAL A 92 -49.351 95.073 21.882 1.00 92.00 H new ATOM 0 HG11 VAL A 92 -49.498 93.452 23.738 1.00 92.00 H new ATOM 0 HG12 VAL A 92 -49.601 92.656 22.149 1.00 92.00 H new ATOM 0 HG13 VAL A 92 -48.087 92.588 23.082 1.00 92.00 H new ATOM 0 HG21 VAL A 92 -48.214 95.515 24.029 1.00 92.00 H new ATOM 0 HG22 VAL A 92 -46.738 94.746 23.396 1.00 92.00 H new ATOM 0 HG23 VAL A 92 -47.350 96.244 22.654 1.00 92.00 H new ATOM 1394 N PRO A 93 -48.565 95.744 19.201 1.00 93.00 N ATOM 1395 CA PRO A 93 -48.522 96.909 18.319 1.00 93.00 C ATOM 1396 C PRO A 93 -48.415 98.244 19.107 1.00 93.00 C ATOM 1397 O PRO A 93 -48.630 98.265 20.323 1.00 93.00 O ATOM 1398 CB PRO A 93 -49.824 96.815 17.516 1.00 93.00 C ATOM 1399 CG PRO A 93 -50.721 95.965 18.333 1.00 93.00 C ATOM 1400 CD PRO A 93 -49.845 95.027 19.104 1.00 93.00 C ATOM 0 HA PRO A 93 -47.639 96.908 17.680 1.00 93.00 H new ATOM 0 HB2 PRO A 93 -50.258 97.801 17.351 1.00 93.00 H new ATOM 0 HB3 PRO A 93 -49.651 96.375 16.534 1.00 93.00 H new ATOM 0 HG2 PRO A 93 -51.323 96.574 19.007 1.00 93.00 H new ATOM 0 HG3 PRO A 93 -51.414 95.413 17.698 1.00 93.00 H new ATOM 0 HD2 PRO A 93 -50.259 94.812 20.089 1.00 93.00 H new ATOM 0 HD3 PRO A 93 -49.731 94.072 18.590 1.00 93.00 H new ATOM 1408 N PRO A 94 -48.099 99.386 18.442 1.00 94.00 N ATOM 1409 CA PRO A 94 -47.967 99.487 16.974 1.00 94.00 C ATOM 1410 C PRO A 94 -46.759 98.738 16.425 1.00 94.00 C ATOM 1411 O PRO A 94 -46.748 98.327 15.262 1.00 94.00 O ATOM 1412 CB PRO A 94 -47.836 100.985 16.724 1.00 94.00 C ATOM 1413 CG PRO A 94 -47.283 101.539 17.992 1.00 94.00 C ATOM 1414 CD PRO A 94 -47.791 100.667 19.106 1.00 94.00 C ATOM 0 HA PRO A 94 -48.818 99.031 16.468 1.00 94.00 H new ATOM 0 HB2 PRO A 94 -47.174 101.189 15.882 1.00 94.00 H new ATOM 0 HB3 PRO A 94 -48.801 101.432 16.486 1.00 94.00 H new ATOM 0 HG2 PRO A 94 -46.193 101.542 17.970 1.00 94.00 H new ATOM 0 HG3 PRO A 94 -47.601 102.572 18.134 1.00 94.00 H new ATOM 0 HD2 PRO A 94 -47.042 100.542 19.888 1.00 94.00 H new ATOM 0 HD3 PRO A 94 -48.676 101.096 19.577 1.00 94.00 H new ATOM 1422 N ASN A 95 -45.774 98.509 17.267 1.00 95.00 N ATOM 1423 CA ASN A 95 -44.608 97.775 16.840 1.00 95.00 C ATOM 1424 C ASN A 95 -44.837 96.323 17.132 1.00 95.00 C ATOM 1425 O ASN A 95 -44.389 95.796 18.142 1.00 95.00 O ATOM 1426 CB ASN A 95 -43.325 98.262 17.555 1.00 95.00 C ATOM 1427 CG ASN A 95 -43.047 99.740 17.353 1.00 95.00 C ATOM 1428 OD1 ASN A 95 -43.372 100.315 16.314 1.00 95.00 O ATOM 1429 ND2 ASN A 95 -42.461 100.370 18.338 1.00 95.00 N ATOM 0 H ASN A 95 -45.759 98.817 18.239 1.00 95.00 H new ATOM 0 HA ASN A 95 -44.460 97.938 15.772 1.00 95.00 H new ATOM 0 HB2 ASN A 95 -43.413 98.059 18.622 1.00 95.00 H new ATOM 0 HB3 ASN A 95 -42.474 97.687 17.190 1.00 95.00 H new ATOM 0 HD21 ASN A 95 -42.261 101.367 18.258 1.00 95.00 H new ATOM 0 HD22 ASN A 95 -42.204 99.864 19.186 1.00 95.00 H new ATOM 1436 N GLN A 96 -45.592 95.699 16.278 1.00 96.00 N ATOM 1437 CA GLN A 96 -45.842 94.292 16.383 1.00 96.00 C ATOM 1438 C GLN A 96 -44.948 93.629 15.377 1.00 96.00 C ATOM 1439 O GLN A 96 -44.552 94.256 14.384 1.00 96.00 O ATOM 1440 CB GLN A 96 -47.324 93.979 16.081 1.00 96.00 C ATOM 1441 CG GLN A 96 -47.701 94.156 14.627 1.00 96.00 C ATOM 1442 CD GLN A 96 -49.176 94.280 14.395 1.00 96.00 C ATOM 1443 OE1 GLN A 96 -49.728 95.364 14.451 1.00 96.00 O ATOM 1444 NE2 GLN A 96 -49.810 93.193 14.068 1.00 96.00 N ATOM 0 H GLN A 96 -46.053 96.151 15.488 1.00 96.00 H new ATOM 0 HA GLN A 96 -45.639 93.930 17.391 1.00 96.00 H new ATOM 0 HB2 GLN A 96 -47.537 92.953 16.380 1.00 96.00 H new ATOM 0 HB3 GLN A 96 -47.954 94.626 16.691 1.00 96.00 H new ATOM 0 HG2 GLN A 96 -47.206 95.046 14.239 1.00 96.00 H new ATOM 0 HG3 GLN A 96 -47.323 93.307 14.058 1.00 96.00 H new ATOM 0 HE21 GLN A 96 -49.312 92.303 14.032 1.00 96.00 H new ATOM 0 HE22 GLN A 96 -50.805 93.230 13.847 1.00 96.00 H new ATOM 1453 N ILE A 97 -44.602 92.427 15.613 1.00 97.00 N ATOM 1454 CA ILE A 97 -43.766 91.704 14.692 1.00 97.00 C ATOM 1455 C ILE A 97 -44.445 90.396 14.354 1.00 97.00 C ATOM 1456 O ILE A 97 -44.301 89.413 15.069 1.00 97.00 O ATOM 1457 CB ILE A 97 -42.335 91.466 15.254 1.00 97.00 C ATOM 1458 CG1 ILE A 97 -41.719 92.807 15.642 1.00 97.00 C ATOM 1459 CG2 ILE A 97 -41.461 90.780 14.207 1.00 97.00 C ATOM 1460 CD1 ILE A 97 -40.382 92.733 16.325 1.00 97.00 C ATOM 0 H ILE A 97 -44.879 91.901 16.442 1.00 97.00 H new ATOM 0 HA ILE A 97 -43.638 92.302 13.790 1.00 97.00 H new ATOM 0 HB ILE A 97 -42.397 90.822 16.131 1.00 97.00 H new ATOM 0 HG12 ILE A 97 -41.614 93.413 14.742 1.00 97.00 H new ATOM 0 HG13 ILE A 97 -42.414 93.330 16.299 1.00 97.00 H new ATOM 0 HG21 ILE A 97 -40.463 90.620 14.615 1.00 97.00 H new ATOM 0 HG22 ILE A 97 -41.901 89.820 13.938 1.00 97.00 H new ATOM 0 HG23 ILE A 97 -41.394 91.410 13.320 1.00 97.00 H new ATOM 0 HD11 ILE A 97 -40.036 93.740 16.557 1.00 97.00 H new ATOM 0 HD12 ILE A 97 -40.476 92.160 17.248 1.00 97.00 H new ATOM 0 HD13 ILE A 97 -39.664 92.245 15.667 1.00 97.00 H new ATOM 1472 N PRO A 98 -45.277 90.407 13.316 1.00 98.00 N ATOM 1473 CA PRO A 98 -46.017 89.236 12.905 1.00 98.00 C ATOM 1474 C PRO A 98 -45.145 88.231 12.154 1.00 98.00 C ATOM 1475 O PRO A 98 -44.452 88.582 11.187 1.00 98.00 O ATOM 1476 CB PRO A 98 -47.118 89.798 11.998 1.00 98.00 C ATOM 1477 CG PRO A 98 -46.604 91.109 11.493 1.00 98.00 C ATOM 1478 CD PRO A 98 -45.557 91.581 12.465 1.00 98.00 C ATOM 0 HA PRO A 98 -46.407 88.681 13.758 1.00 98.00 H new ATOM 0 HB2 PRO A 98 -47.330 89.118 11.173 1.00 98.00 H new ATOM 0 HB3 PRO A 98 -48.049 89.930 12.549 1.00 98.00 H new ATOM 0 HG2 PRO A 98 -46.180 90.997 10.495 1.00 98.00 H new ATOM 0 HG3 PRO A 98 -47.413 91.836 11.416 1.00 98.00 H new ATOM 0 HD2 PRO A 98 -44.659 91.917 11.947 1.00 98.00 H new ATOM 0 HD3 PRO A 98 -45.917 92.422 13.057 1.00 98.00 H new ATOM 1486 N GLY A 99 -45.171 87.001 12.606 1.00 99.00 N ATOM 1487 CA GLY A 99 -44.415 85.948 11.971 1.00 99.00 C ATOM 1488 C GLY A 99 -45.114 85.440 10.732 1.00 99.00 C ATOM 1489 O GLY A 99 -46.065 86.086 10.240 1.00 99.00 O ATOM 0 H GLY A 99 -45.712 86.703 13.418 1.00 99.00 H new ATOM 0 HA2 GLY A 99 -43.424 86.318 11.706 1.00 99.00 H new ATOM 0 HA3 GLY A 99 -44.272 85.126 12.673 1.00 99.00 H new ATOM 1493 N VAL A 100 -44.690 84.301 10.239 1.00100.00 N ATOM 1494 CA VAL A 100 -45.276 83.729 9.043 1.00100.00 C ATOM 1495 C VAL A 100 -46.724 83.318 9.315 1.00100.00 C ATOM 1496 O VAL A 100 -47.054 82.843 10.414 1.00100.00 O ATOM 1497 CB VAL A 100 -44.442 82.520 8.492 1.00100.00 C ATOM 1498 CG1 VAL A 100 -44.427 81.341 9.459 1.00100.00 C ATOM 1499 CG2 VAL A 100 -44.933 82.086 7.115 1.00100.00 C ATOM 0 H VAL A 100 -43.937 83.747 10.648 1.00100.00 H new ATOM 0 HA VAL A 100 -45.263 84.496 8.268 1.00100.00 H new ATOM 0 HB VAL A 100 -43.414 82.870 8.392 1.00100.00 H new ATOM 0 HG11 VAL A 100 -43.837 80.529 9.034 1.00100.00 H new ATOM 0 HG12 VAL A 100 -43.986 81.652 10.406 1.00100.00 H new ATOM 0 HG13 VAL A 100 -45.447 80.998 9.630 1.00100.00 H new ATOM 0 HG21 VAL A 100 -44.333 81.247 6.763 1.00100.00 H new ATOM 0 HG22 VAL A 100 -45.978 81.783 7.180 1.00100.00 H new ATOM 0 HG23 VAL A 100 -44.839 82.917 6.416 1.00100.00 H new ATOM 1509 N ALA A 101 -47.581 83.561 8.357 1.00101.00 N ATOM 1510 CA ALA A 101 -48.966 83.226 8.483 1.00101.00 C ATOM 1511 C ALA A 101 -49.187 81.766 8.221 1.00101.00 C ATOM 1512 O ALA A 101 -48.547 81.175 7.349 1.00101.00 O ATOM 1513 CB ALA A 101 -49.806 84.058 7.552 1.00101.00 C ATOM 0 H ALA A 101 -47.333 83.997 7.469 1.00101.00 H new ATOM 0 HA ALA A 101 -49.271 83.443 9.507 1.00101.00 H new ATOM 0 HB1 ALA A 101 -50.855 83.785 7.666 1.00101.00 H new ATOM 0 HB2 ALA A 101 -49.678 85.114 7.791 1.00101.00 H new ATOM 0 HB3 ALA A 101 -49.495 83.879 6.523 1.00101.00 H new ATOM 1519 N TRP A 102 -50.102 81.191 8.951 1.00102.00 N ATOM 1520 CA TRP A 102 -50.422 79.788 8.833 1.00102.00 C ATOM 1521 C TRP A 102 -51.518 79.578 7.792 1.00102.00 C ATOM 1522 O TRP A 102 -52.118 78.510 7.696 1.00102.00 O ATOM 1523 CB TRP A 102 -50.812 79.227 10.214 1.00102.00 C ATOM 1524 CG TRP A 102 -49.699 79.356 11.234 1.00102.00 C ATOM 1525 CD1 TRP A 102 -48.375 79.518 10.970 1.00102.00 C ATOM 1526 CD2 TRP A 102 -49.813 79.310 12.662 1.00102.00 C ATOM 1527 NE1 TRP A 102 -47.662 79.608 12.133 1.00102.00 N ATOM 1528 CE2 TRP A 102 -48.516 79.476 13.188 1.00102.00 C ATOM 1529 CE3 TRP A 102 -50.874 79.154 13.543 1.00102.00 C ATOM 1530 CZ2 TRP A 102 -48.262 79.488 14.556 1.00102.00 C ATOM 1531 CZ3 TRP A 102 -50.622 79.164 14.895 1.00102.00 C ATOM 1532 CH2 TRP A 102 -49.327 79.329 15.392 1.00102.00 C ATOM 0 H TRP A 102 -50.654 81.684 9.653 1.00102.00 H new ATOM 0 HA TRP A 102 -49.546 79.239 8.487 1.00102.00 H new ATOM 0 HB2 TRP A 102 -51.695 79.751 10.578 1.00102.00 H new ATOM 0 HB3 TRP A 102 -51.085 78.177 10.111 1.00102.00 H new ATOM 0 HD1 TRP A 102 -47.947 79.569 9.980 1.00102.00 H new ATOM 0 HE1 TRP A 102 -46.654 79.751 12.201 1.00102.00 H new ATOM 0 HE3 TRP A 102 -51.881 79.027 13.173 1.00102.00 H new ATOM 0 HZ2 TRP A 102 -47.261 79.618 14.940 1.00102.00 H new ATOM 0 HZ3 TRP A 102 -51.442 79.042 15.587 1.00102.00 H new ATOM 0 HH2 TRP A 102 -49.166 79.331 16.460 1.00102.00 H new ATOM 1543 N GLY A 103 -51.729 80.599 6.985 1.00103.00 N ATOM 1544 CA GLY A 103 -52.697 80.550 5.945 1.00103.00 C ATOM 1545 C GLY A 103 -52.725 81.835 5.170 1.00103.00 C ATOM 1546 O GLY A 103 -51.787 82.646 5.260 1.00103.00 O ATOM 0 H GLY A 103 -51.224 81.483 7.045 1.00103.00 H new ATOM 0 HA2 GLY A 103 -52.472 79.722 5.273 1.00103.00 H new ATOM 0 HA3 GLY A 103 -53.682 80.357 6.370 1.00103.00 H new ATOM 1550 N VAL A 104 -53.789 82.039 4.446 1.00104.00 N ATOM 1551 CA VAL A 104 -53.956 83.212 3.605 1.00104.00 C ATOM 1552 C VAL A 104 -54.990 84.111 4.241 1.00104.00 C ATOM 1553 O VAL A 104 -55.856 83.635 4.967 1.00104.00 O ATOM 1554 CB VAL A 104 -54.514 82.832 2.215 1.00104.00 C ATOM 1555 CG1 VAL A 104 -54.303 83.939 1.199 1.00104.00 C ATOM 1556 CG2 VAL A 104 -53.994 81.504 1.717 1.00104.00 C ATOM 0 H VAL A 104 -54.579 81.394 4.416 1.00104.00 H new ATOM 0 HA VAL A 104 -52.983 83.691 3.500 1.00104.00 H new ATOM 0 HB VAL A 104 -55.590 82.709 2.342 1.00104.00 H new ATOM 0 HG11 VAL A 104 -54.710 83.631 0.236 1.00104.00 H new ATOM 0 HG12 VAL A 104 -54.811 84.843 1.535 1.00104.00 H new ATOM 0 HG13 VAL A 104 -53.237 84.139 1.095 1.00104.00 H new ATOM 0 HG21 VAL A 104 -54.421 81.291 0.737 1.00104.00 H new ATOM 0 HG22 VAL A 104 -52.908 81.545 1.639 1.00104.00 H new ATOM 0 HG23 VAL A 104 -54.278 80.717 2.415 1.00104.00 H new ATOM 1566 N PHE A 105 -54.916 85.378 3.952 1.00105.00 N ATOM 1567 CA PHE A 105 -55.852 86.332 4.425 1.00105.00 C ATOM 1568 C PHE A 105 -56.416 87.058 3.227 1.00105.00 C ATOM 1569 O PHE A 105 -55.728 87.870 2.602 1.00105.00 O ATOM 1570 CB PHE A 105 -55.162 87.324 5.326 1.00105.00 C ATOM 1571 CG PHE A 105 -54.551 86.737 6.558 1.00105.00 C ATOM 1572 CD1 PHE A 105 -53.178 86.666 6.694 1.00105.00 C ATOM 1573 CD2 PHE A 105 -55.346 86.255 7.576 1.00105.00 C ATOM 1574 CE1 PHE A 105 -52.612 86.130 7.820 1.00105.00 C ATOM 1575 CE2 PHE A 105 -54.784 85.716 8.707 1.00105.00 C ATOM 1576 CZ PHE A 105 -53.412 85.654 8.827 1.00105.00 C ATOM 0 H PHE A 105 -54.182 85.777 3.366 1.00105.00 H new ATOM 0 HA PHE A 105 -56.643 85.837 4.988 1.00105.00 H new ATOM 0 HB2 PHE A 105 -54.382 87.829 4.756 1.00105.00 H new ATOM 0 HB3 PHE A 105 -55.883 88.086 5.623 1.00105.00 H new ATOM 0 HD1 PHE A 105 -52.544 87.038 5.903 1.00105.00 H new ATOM 0 HD2 PHE A 105 -56.421 86.302 7.483 1.00105.00 H new ATOM 0 HE1 PHE A 105 -51.537 86.082 7.915 1.00105.00 H new ATOM 0 HE2 PHE A 105 -55.415 85.342 9.500 1.00105.00 H new ATOM 0 HZ PHE A 105 -52.967 85.230 9.715 1.00105.00 H new ATOM 1586 N LYS A 106 -57.604 86.711 2.859 1.00106.00 N ATOM 1587 CA LYS A 106 -58.260 87.336 1.748 1.00106.00 C ATOM 1588 C LYS A 106 -59.082 88.498 2.240 1.00106.00 C ATOM 1589 O LYS A 106 -60.159 88.266 2.818 1.00106.00 O ATOM 1590 CB LYS A 106 -59.152 86.367 0.988 1.00106.00 C ATOM 1591 CG LYS A 106 -58.467 85.113 0.515 1.00106.00 C ATOM 1592 CD LYS A 106 -59.367 84.333 -0.426 1.00106.00 C ATOM 1593 CE LYS A 106 -58.643 83.141 -1.017 1.00106.00 C ATOM 1594 NZ LYS A 106 -59.496 82.385 -1.946 1.00106.00 N1+ ATOM 1595 OXT LYS A 106 -58.672 89.653 2.044 1.00106.00 O ATOM 0 H LYS A 106 -58.153 85.984 3.318 1.00106.00 H new ATOM 0 HA LYS A 106 -57.488 87.681 1.060 1.00106.00 H new ATOM 0 HB2 LYS A 106 -59.988 86.087 1.629 1.00106.00 H new ATOM 0 HB3 LYS A 106 -59.571 86.883 0.124 1.00106.00 H new ATOM 0 HG2 LYS A 106 -57.537 85.370 0.008 1.00106.00 H new ATOM 0 HG3 LYS A 106 -58.202 84.492 1.371 1.00106.00 H new ATOM 0 HD2 LYS A 106 -60.252 83.994 0.112 1.00106.00 H new ATOM 0 HD3 LYS A 106 -59.712 84.986 -1.228 1.00106.00 H new ATOM 0 HE2 LYS A 106 -57.750 83.482 -1.540 1.00106.00 H new ATOM 0 HE3 LYS A 106 -58.310 82.484 -0.214 1.00106.00 H new ATOM 0 HZ1 LYS A 106 -58.963 81.578 -2.328 1.00106.00 H new ATOM 0 HZ2 LYS A 106 -60.336 82.037 -1.441 1.00106.00 H new ATOM 0 HZ3 LYS A 106 -59.793 83.004 -2.727 1.00106.00 H new