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 83:sc= -0.768 USER MOD Set 1.2: A 83 TYR OH : rot -179:sc= 1.3 USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0.796 USER MOD Set 2.2: A 66 GLN : amide:sc= 0.992 K(o=1.8,f=-2.4!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -134:sc= 1.27 (180deg=-0.305) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.773 K(o=-0.77,f=-5.2!) USER MOD Single : A 32 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.014) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 37 THR OG1 : rot -63:sc= 1.22 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.044 X(o=-0.044,f=-0.044) USER MOD Single : A 51 ASN :FLIP amide:sc=-0.00019 F(o=-0.91,f=-0.00019) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -153:sc= 0.934 USER MOD Single : A 69 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.2!) USER MOD Single : A 74 TYR OH : rot 130:sc= 0 USER MOD Single : A 84 CYS SG : rot -160:sc= -0.378 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0745 USER MOD Single : A 89 CYS SG : rot -91:sc= -1! USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 96 GLN : amide:sc= -1.66! C(o=-1.7!,f=-2.7!) USER MOD Single : A 106 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0155) USER MOD ----------------------------------------------------------------- ATOM 283 N THR A 19 -55.758 93.038 25.098 1.00 0.00 N ATOM 284 CA THR A 19 -55.698 92.410 23.832 1.00 0.00 C ATOM 285 C THR A 19 -55.850 93.481 22.768 1.00 0.00 C ATOM 286 O THR A 19 -56.762 94.320 22.846 1.00 0.00 O ATOM 287 CB THR A 19 -56.836 91.380 23.699 1.00 0.00 C ATOM 288 OG1 THR A 19 -56.749 90.401 24.759 1.00 0.00 O ATOM 289 CG2 THR A 19 -56.798 90.686 22.350 1.00 0.00 C ATOM 0 HA THR A 19 -54.747 91.891 23.716 1.00 0.00 H new ATOM 0 HB THR A 19 -57.782 91.915 23.779 1.00 0.00 H new ATOM 0 HG1 THR A 19 -57.478 89.752 24.666 1.00 0.00 H new ATOM 0 HG21 THR A 19 -57.614 89.966 22.288 1.00 0.00 H new ATOM 0 HG22 THR A 19 -56.906 91.426 21.557 1.00 0.00 H new ATOM 0 HG23 THR A 19 -55.846 90.167 22.234 1.00 0.00 H new ATOM 297 N TRP A 20 -54.935 93.509 21.847 1.00 0.00 N ATOM 298 CA TRP A 20 -55.011 94.415 20.740 1.00 0.00 C ATOM 299 C TRP A 20 -55.824 93.775 19.663 1.00 0.00 C ATOM 300 O TRP A 20 -55.520 92.677 19.240 1.00 0.00 O ATOM 301 CB TRP A 20 -53.624 94.750 20.227 1.00 0.00 C ATOM 302 CG TRP A 20 -52.796 95.494 21.218 1.00 0.00 C ATOM 303 CD1 TRP A 20 -52.126 94.974 22.278 1.00 0.00 C ATOM 304 CD2 TRP A 20 -52.546 96.897 21.233 1.00 0.00 C ATOM 305 NE1 TRP A 20 -51.480 95.965 22.956 1.00 0.00 N ATOM 306 CE2 TRP A 20 -51.718 97.159 22.337 1.00 0.00 C ATOM 307 CE3 TRP A 20 -52.943 97.956 20.417 1.00 0.00 C ATOM 308 CZ2 TRP A 20 -51.278 98.438 22.652 1.00 0.00 C ATOM 309 CZ3 TRP A 20 -52.505 99.227 20.726 1.00 0.00 C ATOM 310 CH2 TRP A 20 -51.681 99.461 21.837 1.00 0.00 C ATOM 0 H TRP A 20 -54.114 92.904 21.841 1.00 0.00 H new ATOM 0 HA TRP A 20 -55.480 95.346 21.058 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -53.112 93.827 19.955 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -53.714 95.345 19.318 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -52.107 93.928 22.545 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -50.910 95.835 23.792 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -53.580 97.785 19.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -50.643 98.618 23.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -52.802 100.057 20.102 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -51.358 100.469 22.054 1.00 0.00 H new ATOM 321 N TYR A 21 -56.845 94.430 19.249 1.00 0.00 N ATOM 322 CA TYR A 21 -57.726 93.911 18.256 1.00 0.00 C ATOM 323 C TYR A 21 -57.910 94.939 17.168 1.00 0.00 C ATOM 324 O TYR A 21 -57.567 96.124 17.339 1.00 0.00 O ATOM 325 CB TYR A 21 -59.114 93.573 18.873 1.00 0.00 C ATOM 326 CG TYR A 21 -59.907 94.792 19.330 1.00 0.00 C ATOM 327 CD1 TYR A 21 -59.729 95.341 20.592 1.00 0.00 C ATOM 328 CD2 TYR A 21 -60.809 95.412 18.468 1.00 0.00 C ATOM 329 CE1 TYR A 21 -60.421 96.474 20.975 1.00 0.00 C ATOM 330 CE2 TYR A 21 -61.504 96.531 18.848 1.00 0.00 C ATOM 331 CZ TYR A 21 -61.306 97.062 20.095 1.00 0.00 C ATOM 332 OH TYR A 21 -61.980 98.202 20.457 1.00 0.00 O ATOM 0 H TYR A 21 -57.101 95.356 19.592 1.00 0.00 H new ATOM 0 HA TYR A 21 -57.290 92.999 17.847 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -59.703 93.025 18.137 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -58.969 92.908 19.724 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -59.041 94.877 21.283 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -60.964 95.003 17.481 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -60.270 96.897 21.957 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -62.204 96.992 18.167 1.00 0.00 H new ATOM 0 HH TYR A 21 -62.562 98.486 19.721 1.00 0.00 H new ATOM 342 N LYS A 22 -58.415 94.497 16.070 1.00 0.00 N ATOM 343 CA LYS A 22 -58.848 95.357 15.025 1.00 0.00 C ATOM 344 C LYS A 22 -59.941 94.622 14.265 1.00 0.00 C ATOM 345 O LYS A 22 -59.890 93.387 14.133 1.00 0.00 O ATOM 346 CB LYS A 22 -57.708 95.767 14.062 1.00 0.00 C ATOM 347 CG LYS A 22 -57.211 94.646 13.195 1.00 0.00 C ATOM 348 CD LYS A 22 -56.185 95.113 12.187 1.00 0.00 C ATOM 349 CE LYS A 22 -55.837 93.983 11.246 1.00 0.00 C ATOM 350 NZ LYS A 22 -54.979 94.412 10.134 1.00 0.00 N1+ ATOM 0 H LYS A 22 -58.541 93.505 15.869 1.00 0.00 H new ATOM 0 HA LYS A 22 -59.212 96.287 15.462 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -58.059 96.578 13.424 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -56.875 96.158 14.646 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -56.773 93.870 13.823 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -58.053 94.194 12.671 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -56.576 95.960 11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -55.288 95.459 12.701 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -55.333 93.194 11.804 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -56.755 93.554 10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -55.346 94.022 9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -54.972 95.451 10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -54.010 94.067 10.290 1.00 0.00 H new ATOM 364 N PRO A 23 -60.959 95.329 13.833 1.00 0.00 N ATOM 365 CA PRO A 23 -62.014 94.756 13.024 1.00 0.00 C ATOM 366 C PRO A 23 -61.540 94.618 11.572 1.00 0.00 C ATOM 367 O PRO A 23 -61.287 95.610 10.883 1.00 0.00 O ATOM 368 CB PRO A 23 -63.145 95.779 13.140 1.00 0.00 C ATOM 369 CG PRO A 23 -62.461 97.080 13.418 1.00 0.00 C ATOM 370 CD PRO A 23 -61.159 96.752 14.099 1.00 0.00 C ATOM 0 HA PRO A 23 -62.319 93.759 13.343 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -63.729 95.828 12.221 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -63.835 95.516 13.942 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -62.285 97.629 12.493 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -63.080 97.714 14.053 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -60.340 97.350 13.700 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -61.208 96.953 15.169 1.00 0.00 H new ATOM 378 N GLU A 24 -61.399 93.415 11.123 1.00 0.00 N ATOM 379 CA GLU A 24 -60.901 93.166 9.804 1.00 0.00 C ATOM 380 C GLU A 24 -61.750 92.106 9.155 1.00 0.00 C ATOM 381 O GLU A 24 -61.904 91.021 9.693 1.00 0.00 O ATOM 382 CB GLU A 24 -59.431 92.732 9.875 1.00 0.00 C ATOM 383 CG GLU A 24 -58.795 92.471 8.515 1.00 0.00 C ATOM 384 CD GLU A 24 -57.318 92.153 8.575 1.00 0.00 C ATOM 385 OE1 GLU A 24 -56.947 90.994 8.809 1.00 0.00 O ATOM 386 OE2 GLU A 24 -56.492 93.050 8.343 1.00 0.00 O1- ATOM 0 H GLU A 24 -61.624 92.575 11.656 1.00 0.00 H new ATOM 0 HA GLU A 24 -60.953 94.075 9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -58.859 93.504 10.390 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -59.359 91.827 10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -59.315 91.642 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -58.942 93.347 7.883 1.00 0.00 H new ATOM 393 N ASN A 25 -62.285 92.413 8.008 1.00 0.00 N ATOM 394 CA ASN A 25 -63.166 91.498 7.325 1.00 0.00 C ATOM 395 C ASN A 25 -62.407 90.800 6.232 1.00 0.00 C ATOM 396 O ASN A 25 -62.055 91.411 5.210 1.00 0.00 O ATOM 397 CB ASN A 25 -64.385 92.231 6.743 1.00 0.00 C ATOM 398 CG ASN A 25 -65.366 91.287 6.054 1.00 0.00 C ATOM 399 OD1 ASN A 25 -65.259 91.013 4.860 1.00 0.00 O ATOM 400 ND2 ASN A 25 -66.336 90.802 6.791 1.00 0.00 N ATOM 0 H ASN A 25 -62.128 93.295 7.520 1.00 0.00 H new ATOM 0 HA ASN A 25 -63.532 90.764 8.043 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -64.900 92.763 7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -64.046 92.981 6.028 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -67.029 90.179 6.376 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -66.398 91.048 7.779 1.00 0.00 H new ATOM 407 N ALA A 26 -62.115 89.551 6.443 1.00 0.00 N ATOM 408 CA ALA A 26 -61.364 88.800 5.461 1.00 0.00 C ATOM 409 C ALA A 26 -61.644 87.329 5.560 1.00 0.00 C ATOM 410 O ALA A 26 -62.282 86.858 6.521 1.00 0.00 O ATOM 411 CB ALA A 26 -59.868 89.053 5.606 1.00 0.00 C ATOM 0 H ALA A 26 -62.379 89.027 7.277 1.00 0.00 H new ATOM 0 HA ALA A 26 -61.686 89.145 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -59.327 88.476 4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -59.663 90.114 5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -59.542 88.750 6.601 1.00 0.00 H new ATOM 417 N THR A 27 -61.190 86.609 4.576 1.00 0.00 N ATOM 418 CA THR A 27 -61.320 85.200 4.557 1.00 0.00 C ATOM 419 C THR A 27 -59.977 84.555 4.842 1.00 0.00 C ATOM 420 O THR A 27 -59.001 84.779 4.136 1.00 0.00 O ATOM 421 CB THR A 27 -61.891 84.720 3.205 1.00 0.00 C ATOM 422 OG1 THR A 27 -63.236 85.193 3.052 1.00 0.00 O ATOM 423 CG2 THR A 27 -61.827 83.199 3.059 1.00 0.00 C ATOM 0 H THR A 27 -60.716 86.997 3.761 1.00 0.00 H new ATOM 0 HA THR A 27 -62.021 84.900 5.336 1.00 0.00 H new ATOM 0 HB THR A 27 -61.271 85.137 2.412 1.00 0.00 H new ATOM 0 HG1 THR A 27 -63.594 84.888 2.192 1.00 0.00 H new ATOM 0 HG21 THR A 27 -62.240 82.909 2.093 1.00 0.00 H new ATOM 0 HG22 THR A 27 -60.790 82.871 3.124 1.00 0.00 H new ATOM 0 HG23 THR A 27 -62.406 82.732 3.856 1.00 0.00 H new ATOM 431 N PHE A 28 -59.946 83.782 5.865 1.00 0.00 N ATOM 432 CA PHE A 28 -58.795 83.065 6.237 1.00 0.00 C ATOM 433 C PHE A 28 -58.939 81.663 5.735 1.00 0.00 C ATOM 434 O PHE A 28 -59.841 80.934 6.131 1.00 0.00 O ATOM 435 CB PHE A 28 -58.593 83.078 7.763 1.00 0.00 C ATOM 436 CG PHE A 28 -57.495 82.159 8.240 1.00 0.00 C ATOM 437 CD1 PHE A 28 -56.165 82.487 8.058 1.00 0.00 C ATOM 438 CD2 PHE A 28 -57.805 80.959 8.867 1.00 0.00 C ATOM 439 CE1 PHE A 28 -55.168 81.636 8.485 1.00 0.00 C ATOM 440 CE2 PHE A 28 -56.814 80.110 9.296 1.00 0.00 C ATOM 441 CZ PHE A 28 -55.494 80.446 9.104 1.00 0.00 C ATOM 0 H PHE A 28 -60.746 83.630 6.480 1.00 0.00 H new ATOM 0 HA PHE A 28 -57.915 83.535 5.798 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -58.366 84.096 8.081 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -59.528 82.794 8.246 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -55.904 83.418 7.577 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -58.840 80.690 9.019 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -54.132 81.900 8.335 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -57.071 79.181 9.783 1.00 0.00 H new ATOM 0 HZ PHE A 28 -54.713 79.779 9.437 1.00 0.00 H new ATOM 451 N VAL A 29 -58.118 81.322 4.817 1.00 0.00 N ATOM 452 CA VAL A 29 -58.080 79.989 4.314 1.00 0.00 C ATOM 453 C VAL A 29 -56.916 79.340 4.985 1.00 0.00 C ATOM 454 O VAL A 29 -55.792 79.802 4.829 1.00 0.00 O ATOM 455 CB VAL A 29 -57.891 79.943 2.777 1.00 0.00 C ATOM 456 CG1 VAL A 29 -57.924 78.509 2.270 1.00 0.00 C ATOM 457 CG2 VAL A 29 -58.954 80.770 2.082 1.00 0.00 C ATOM 0 H VAL A 29 -57.446 81.957 4.386 1.00 0.00 H new ATOM 0 HA VAL A 29 -59.023 79.482 4.518 1.00 0.00 H new ATOM 0 HB VAL A 29 -56.914 80.368 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -57.789 78.502 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -57.122 77.939 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -58.884 78.057 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -58.803 80.724 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -59.940 80.376 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -58.884 81.806 2.414 1.00 0.00 H new ATOM 467 N ASN A 30 -57.174 78.340 5.772 1.00 0.00 N ATOM 468 CA ASN A 30 -56.110 77.690 6.513 1.00 0.00 C ATOM 469 C ASN A 30 -55.173 76.941 5.560 1.00 0.00 C ATOM 470 O ASN A 30 -55.601 76.480 4.490 1.00 0.00 O ATOM 471 CB ASN A 30 -56.673 76.774 7.612 1.00 0.00 C ATOM 472 CG ASN A 30 -55.601 76.174 8.467 1.00 0.00 C ATOM 473 OD1 ASN A 30 -54.530 76.736 8.633 1.00 0.00 O ATOM 474 ND2 ASN A 30 -55.892 75.055 9.041 1.00 0.00 N ATOM 0 H ASN A 30 -58.104 77.950 5.924 1.00 0.00 H new ATOM 0 HA ASN A 30 -55.522 78.457 7.017 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -57.357 77.345 8.240 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -57.255 75.975 7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -55.215 74.608 9.660 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -56.799 74.618 8.876 1.00 0.00 H new ATOM 481 N GLY A 31 -53.914 76.847 5.932 1.00 0.00 N ATOM 482 CA GLY A 31 -52.922 76.232 5.101 1.00 0.00 C ATOM 483 C GLY A 31 -52.936 74.721 5.176 1.00 0.00 C ATOM 484 O GLY A 31 -53.987 74.106 5.346 1.00 0.00 O ATOM 0 H GLY A 31 -53.557 77.198 6.821 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -53.081 76.540 4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -51.937 76.595 5.393 1.00 0.00 H new ATOM 488 N ASN A 32 -51.763 74.131 5.087 1.00 0.00 N ATOM 489 CA ASN A 32 -51.611 72.674 5.043 1.00 0.00 C ATOM 490 C ASN A 32 -51.651 72.063 6.454 1.00 0.00 C ATOM 491 O ASN A 32 -51.697 70.845 6.621 1.00 0.00 O ATOM 492 CB ASN A 32 -50.285 72.320 4.312 1.00 0.00 C ATOM 493 CG ASN A 32 -50.085 70.826 4.033 1.00 0.00 C ATOM 494 OD1 ASN A 32 -50.531 70.310 3.007 1.00 0.00 O ATOM 495 ND2 ASN A 32 -49.371 70.149 4.887 1.00 0.00 N ATOM 0 H ASN A 32 -50.880 74.640 5.042 1.00 0.00 H new ATOM 0 HA ASN A 32 -52.448 72.247 4.491 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -50.253 72.860 3.366 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -49.449 72.679 4.912 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -49.168 69.164 4.715 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -49.015 70.604 5.728 1.00 0.00 H new ATOM 502 N GLN A 33 -51.685 72.911 7.452 1.00 0.00 N ATOM 503 CA GLN A 33 -51.685 72.473 8.833 1.00 0.00 C ATOM 504 C GLN A 33 -52.966 72.888 9.543 1.00 0.00 C ATOM 505 O GLN A 33 -53.435 73.985 9.358 1.00 0.00 O ATOM 506 CB GLN A 33 -50.488 73.053 9.580 1.00 0.00 C ATOM 507 CG GLN A 33 -50.356 74.572 9.462 1.00 0.00 C ATOM 508 CD GLN A 33 -49.250 75.147 10.314 1.00 0.00 C ATOM 509 OE1 GLN A 33 -48.936 74.636 11.395 1.00 0.00 O ATOM 510 NE2 GLN A 33 -48.628 76.184 9.832 1.00 0.00 N ATOM 0 H GLN A 33 -51.713 73.924 7.334 1.00 0.00 H new ATOM 0 HA GLN A 33 -51.620 71.385 8.830 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -50.567 72.787 10.634 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -49.577 72.589 9.201 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -50.174 74.833 8.419 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -51.301 75.034 9.747 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -48.914 76.580 8.936 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -47.854 76.601 10.350 1.00 0.00 H new ATOM 519 N PRO A 34 -53.551 72.002 10.349 1.00 0.00 N ATOM 520 CA PRO A 34 -54.728 72.327 11.157 1.00 0.00 C ATOM 521 C PRO A 34 -54.350 73.282 12.302 1.00 0.00 C ATOM 522 O PRO A 34 -53.170 73.334 12.727 1.00 0.00 O ATOM 523 CB PRO A 34 -55.170 70.966 11.707 1.00 0.00 C ATOM 524 CG PRO A 34 -53.937 70.138 11.698 1.00 0.00 C ATOM 525 CD PRO A 34 -53.130 70.609 10.523 1.00 0.00 C ATOM 0 HA PRO A 34 -55.511 72.830 10.590 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -55.577 71.059 12.714 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -55.949 70.523 11.087 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -53.380 70.258 12.627 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -54.179 69.079 11.606 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -52.060 70.535 10.717 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -53.334 70.015 9.633 1.00 0.00 H new ATOM 533 N ILE A 35 -55.301 74.046 12.790 1.00 0.00 N ATOM 534 CA ILE A 35 -54.996 75.005 13.830 1.00 0.00 C ATOM 535 C ILE A 35 -55.926 74.813 15.031 1.00 0.00 C ATOM 536 O ILE A 35 -57.115 74.636 14.864 1.00 0.00 O ATOM 537 CB ILE A 35 -55.117 76.471 13.343 1.00 0.00 C ATOM 538 CG1 ILE A 35 -54.576 76.641 11.892 1.00 0.00 C ATOM 539 CG2 ILE A 35 -54.369 77.374 14.310 1.00 0.00 C ATOM 540 CD1 ILE A 35 -54.268 78.069 11.485 1.00 0.00 C ATOM 0 H ILE A 35 -56.276 74.025 12.491 1.00 0.00 H new ATOM 0 HA ILE A 35 -53.960 74.822 14.117 1.00 0.00 H new ATOM 0 HB ILE A 35 -56.170 76.750 13.321 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -53.669 76.046 11.787 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -55.309 76.231 11.197 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -54.448 78.409 13.977 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -54.803 77.280 15.306 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -53.319 77.082 14.342 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -53.898 78.083 10.460 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -55.175 78.670 11.552 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -53.510 78.481 12.150 1.00 0.00 H new ATOM 552 N VAL A 36 -55.379 74.829 16.222 1.00 0.00 N ATOM 553 CA VAL A 36 -56.172 74.671 17.442 1.00 0.00 C ATOM 554 C VAL A 36 -56.912 75.983 17.738 1.00 0.00 C ATOM 555 O VAL A 36 -56.287 77.023 17.898 1.00 0.00 O ATOM 556 CB VAL A 36 -55.267 74.302 18.651 1.00 0.00 C ATOM 557 CG1 VAL A 36 -56.083 74.083 19.915 1.00 0.00 C ATOM 558 CG2 VAL A 36 -54.426 73.076 18.340 1.00 0.00 C ATOM 0 H VAL A 36 -54.379 74.950 16.385 1.00 0.00 H new ATOM 0 HA VAL A 36 -56.887 73.863 17.289 1.00 0.00 H new ATOM 0 HB VAL A 36 -54.600 75.145 18.829 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -55.416 73.827 20.739 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -56.628 74.995 20.159 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -56.791 73.270 19.755 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -53.801 72.836 19.200 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -55.080 72.232 18.120 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -53.793 73.279 17.476 1.00 0.00 H new ATOM 568 N THR A 37 -58.217 75.934 17.806 1.00 0.00 N ATOM 569 CA THR A 37 -59.006 77.137 17.995 1.00 0.00 C ATOM 570 C THR A 37 -59.390 77.331 19.472 1.00 0.00 C ATOM 571 O THR A 37 -59.433 76.357 20.248 1.00 0.00 O ATOM 572 CB THR A 37 -60.269 77.093 17.112 1.00 0.00 C ATOM 573 OG1 THR A 37 -61.075 75.956 17.461 1.00 0.00 O ATOM 574 CG2 THR A 37 -59.888 76.993 15.643 1.00 0.00 C ATOM 0 H THR A 37 -58.763 75.075 17.734 1.00 0.00 H new ATOM 0 HA THR A 37 -58.395 77.988 17.696 1.00 0.00 H new ATOM 0 HB THR A 37 -60.833 78.011 17.278 1.00 0.00 H new ATOM 0 HG1 THR A 37 -60.579 75.133 17.271 1.00 0.00 H new ATOM 0 HG21 THR A 37 -60.792 76.963 15.034 1.00 0.00 H new ATOM 0 HG22 THR A 37 -59.290 77.860 15.362 1.00 0.00 H new ATOM 0 HG23 THR A 37 -59.309 76.084 15.478 1.00 0.00 H new ATOM 582 N ARG A 38 -59.674 78.565 19.852 1.00 0.00 N ATOM 583 CA ARG A 38 -60.018 78.918 21.229 1.00 0.00 C ATOM 584 C ARG A 38 -61.352 79.606 21.236 1.00 0.00 C ATOM 585 O ARG A 38 -61.746 80.185 20.242 1.00 0.00 O ATOM 586 CB ARG A 38 -58.958 79.837 21.846 1.00 0.00 C ATOM 587 CG ARG A 38 -57.565 79.246 21.874 1.00 0.00 C ATOM 588 CD ARG A 38 -57.467 78.057 22.792 1.00 0.00 C ATOM 589 NE ARG A 38 -56.185 77.376 22.644 1.00 0.00 N ATOM 590 CZ ARG A 38 -55.709 76.457 23.469 1.00 0.00 C ATOM 591 NH1 ARG A 38 -56.294 76.249 24.648 1.00 0.00 N1+ ATOM 592 NH2 ARG A 38 -54.621 75.771 23.134 1.00 0.00 N ATOM 0 H ARG A 38 -59.674 79.360 19.213 1.00 0.00 H new ATOM 0 HA ARG A 38 -60.061 78.007 21.825 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -58.933 80.772 21.286 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -59.256 80.084 22.865 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -57.279 78.948 20.865 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -56.855 80.009 22.194 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -57.591 78.382 23.825 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -58.278 77.361 22.577 1.00 0.00 H new ATOM 0 HE ARG A 38 -55.610 77.628 21.840 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -57.110 76.799 24.916 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -55.925 75.540 25.282 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -54.157 75.954 22.244 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -54.250 75.062 23.767 1.00 0.00 H new ATOM 606 N ILE A 39 -62.038 79.549 22.336 1.00 0.00 N ATOM 607 CA ILE A 39 -63.367 80.091 22.403 1.00 0.00 C ATOM 608 C ILE A 39 -63.516 81.261 23.382 1.00 0.00 C ATOM 609 O ILE A 39 -62.926 81.275 24.477 1.00 0.00 O ATOM 610 CB ILE A 39 -64.404 78.967 22.674 1.00 0.00 C ATOM 611 CG1 ILE A 39 -64.449 78.034 21.462 1.00 0.00 C ATOM 612 CG2 ILE A 39 -65.778 79.521 22.989 1.00 0.00 C ATOM 613 CD1 ILE A 39 -65.527 76.988 21.505 1.00 0.00 C ATOM 0 H ILE A 39 -61.701 79.132 23.204 1.00 0.00 H new ATOM 0 HA ILE A 39 -63.572 80.523 21.423 1.00 0.00 H new ATOM 0 HB ILE A 39 -64.091 78.409 23.556 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -64.584 78.636 20.564 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -63.484 77.536 21.370 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -66.469 78.698 23.171 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -65.722 80.151 23.877 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -66.133 80.113 22.146 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -65.477 76.377 20.604 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -65.385 76.355 22.381 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -66.502 77.472 21.562 1.00 0.00 H new ATOM 625 N GLY A 40 -64.258 82.274 22.932 1.00 0.00 N ATOM 626 CA GLY A 40 -64.607 83.435 23.721 1.00 0.00 C ATOM 627 C GLY A 40 -63.529 84.480 23.749 1.00 0.00 C ATOM 628 O GLY A 40 -63.774 85.661 23.549 1.00 0.00 O ATOM 0 H GLY A 40 -64.637 82.301 21.985 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -65.520 83.876 23.322 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -64.825 83.120 24.742 1.00 0.00 H new ATOM 632 N SER A 41 -62.355 84.023 23.946 1.00 0.00 N ATOM 633 CA SER A 41 -61.219 84.861 24.179 1.00 0.00 C ATOM 634 C SER A 41 -59.984 84.350 23.417 1.00 0.00 C ATOM 635 O SER A 41 -59.903 83.156 23.102 1.00 0.00 O ATOM 636 CB SER A 41 -60.983 84.932 25.688 1.00 0.00 C ATOM 637 OG SER A 41 -60.983 83.627 26.262 1.00 0.00 O ATOM 0 H SER A 41 -62.138 83.026 23.952 1.00 0.00 H new ATOM 0 HA SER A 41 -61.407 85.866 23.800 1.00 0.00 H new ATOM 0 HB2 SER A 41 -60.031 85.423 25.889 1.00 0.00 H new ATOM 0 HB3 SER A 41 -61.759 85.539 26.154 1.00 0.00 H new ATOM 0 HG SER A 41 -60.829 83.694 27.227 1.00 0.00 H new ATOM 643 N PRO A 42 -59.015 85.231 23.110 1.00 0.00 N ATOM 644 CA PRO A 42 -57.810 84.875 22.384 1.00 0.00 C ATOM 645 C PRO A 42 -56.636 84.569 23.329 1.00 0.00 C ATOM 646 O PRO A 42 -55.584 85.196 23.259 1.00 0.00 O ATOM 647 CB PRO A 42 -57.526 86.154 21.581 1.00 0.00 C ATOM 648 CG PRO A 42 -58.244 87.267 22.295 1.00 0.00 C ATOM 649 CD PRO A 42 -59.010 86.660 23.434 1.00 0.00 C ATOM 0 HA PRO A 42 -57.930 83.977 21.779 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -56.455 86.352 21.530 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -57.882 86.057 20.555 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -57.533 88.006 22.664 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -58.919 87.786 21.614 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -58.528 86.854 24.392 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -60.021 87.062 23.499 1.00 0.00 H new ATOM 657 N PHE A 43 -56.815 83.606 24.193 1.00 0.00 N ATOM 658 CA PHE A 43 -55.773 83.230 25.124 1.00 0.00 C ATOM 659 C PHE A 43 -55.418 81.781 24.929 1.00 0.00 C ATOM 660 O PHE A 43 -56.240 80.996 24.464 1.00 0.00 O ATOM 661 CB PHE A 43 -56.200 83.436 26.588 1.00 0.00 C ATOM 662 CG PHE A 43 -56.463 84.858 27.001 1.00 0.00 C ATOM 663 CD1 PHE A 43 -57.755 85.309 27.185 1.00 0.00 C ATOM 664 CD2 PHE A 43 -55.415 85.736 27.218 1.00 0.00 C ATOM 665 CE1 PHE A 43 -58.001 86.611 27.578 1.00 0.00 C ATOM 666 CE2 PHE A 43 -55.653 87.040 27.610 1.00 0.00 C ATOM 667 CZ PHE A 43 -56.948 87.477 27.790 1.00 0.00 C ATOM 0 H PHE A 43 -57.674 83.063 24.275 1.00 0.00 H new ATOM 0 HA PHE A 43 -54.915 83.871 24.923 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -57.103 82.853 26.769 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -55.422 83.028 27.234 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -58.583 84.636 27.020 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -54.399 85.398 27.079 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -59.017 86.950 27.719 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -54.826 87.715 27.775 1.00 0.00 H new ATOM 0 HZ PHE A 43 -57.138 88.495 28.096 1.00 0.00 H new ATOM 677 N LEU A 44 -54.219 81.421 25.312 1.00 0.00 N ATOM 678 CA LEU A 44 -53.767 80.041 25.234 1.00 0.00 C ATOM 679 C LEU A 44 -54.381 79.246 26.365 1.00 0.00 C ATOM 680 O LEU A 44 -54.516 78.034 26.293 1.00 0.00 O ATOM 681 CB LEU A 44 -52.243 79.963 25.301 1.00 0.00 C ATOM 682 CG LEU A 44 -51.494 80.701 24.196 1.00 0.00 C ATOM 683 CD1 LEU A 44 -50.001 80.522 24.354 1.00 0.00 C ATOM 684 CD2 LEU A 44 -51.954 80.227 22.827 1.00 0.00 C ATOM 0 H LEU A 44 -53.525 82.068 25.686 1.00 0.00 H new ATOM 0 HA LEU A 44 -54.084 79.621 24.280 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -51.919 80.361 26.263 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -51.950 78.914 25.275 1.00 0.00 H new ATOM 0 HG LEU A 44 -51.719 81.764 24.279 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -49.484 81.056 23.556 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -49.687 80.919 25.319 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -49.754 79.462 24.300 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -51.408 80.766 22.053 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -51.763 79.158 22.729 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -53.022 80.417 22.716 1.00 0.00 H new ATOM 696 N ASN A 45 -54.751 79.955 27.412 1.00 0.00 N ATOM 697 CA ASN A 45 -55.408 79.349 28.562 1.00 0.00 C ATOM 698 C ASN A 45 -56.907 79.184 28.290 1.00 0.00 C ATOM 699 O ASN A 45 -57.594 78.439 28.979 1.00 0.00 O ATOM 700 CB ASN A 45 -55.165 80.204 29.831 1.00 0.00 C ATOM 701 CG ASN A 45 -55.825 79.642 31.097 1.00 0.00 C ATOM 702 OD1 ASN A 45 -55.251 78.805 31.795 1.00 0.00 O ATOM 703 ND2 ASN A 45 -57.006 80.116 31.418 1.00 0.00 N ATOM 0 H ASN A 45 -54.608 80.962 27.494 1.00 0.00 H new ATOM 0 HA ASN A 45 -54.982 78.360 28.732 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -54.091 80.288 30.000 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -55.540 81.212 29.655 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -57.473 79.792 32.265 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -57.457 80.809 30.820 1.00 0.00 H new ATOM 710 N ALA A 46 -57.392 79.845 27.245 1.00 0.00 N ATOM 711 CA ALA A 46 -58.810 79.821 26.895 1.00 0.00 C ATOM 712 C ALA A 46 -59.220 78.421 26.427 1.00 0.00 C ATOM 713 O ALA A 46 -58.366 77.650 25.940 1.00 0.00 O ATOM 714 CB ALA A 46 -59.114 80.865 25.818 1.00 0.00 C ATOM 0 H ALA A 46 -56.818 80.410 26.619 1.00 0.00 H new ATOM 0 HA ALA A 46 -59.392 80.069 27.783 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -60.175 80.833 25.569 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -58.858 81.857 26.190 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -58.526 80.649 24.926 1.00 0.00 H new ATOM 720 N PRO A 47 -60.504 78.053 26.600 1.00 0.00 N ATOM 721 CA PRO A 47 -61.014 76.745 26.200 1.00 0.00 C ATOM 722 C PRO A 47 -60.840 76.475 24.705 1.00 0.00 C ATOM 723 O PRO A 47 -61.059 77.362 23.865 1.00 0.00 O ATOM 724 CB PRO A 47 -62.504 76.788 26.569 1.00 0.00 C ATOM 725 CG PRO A 47 -62.821 78.232 26.724 1.00 0.00 C ATOM 726 CD PRO A 47 -61.565 78.874 27.216 1.00 0.00 C ATOM 0 HA PRO A 47 -60.469 75.942 26.698 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -63.116 76.331 25.792 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -62.698 76.240 27.491 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -63.137 78.667 25.776 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -63.638 78.379 27.430 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -61.498 79.917 26.907 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -61.505 78.860 28.304 1.00 0.00 H new ATOM 734 N VAL A 48 -60.415 75.274 24.392 1.00 0.00 N ATOM 735 CA VAL A 48 -60.225 74.843 23.020 1.00 0.00 C ATOM 736 C VAL A 48 -61.585 74.594 22.368 1.00 0.00 C ATOM 737 O VAL A 48 -62.452 73.943 22.965 1.00 0.00 O ATOM 738 CB VAL A 48 -59.386 73.529 22.950 1.00 0.00 C ATOM 739 CG1 VAL A 48 -59.176 73.081 21.518 1.00 0.00 C ATOM 740 CG2 VAL A 48 -58.049 73.688 23.642 1.00 0.00 C ATOM 0 H VAL A 48 -60.189 74.560 25.085 1.00 0.00 H new ATOM 0 HA VAL A 48 -59.687 75.631 22.492 1.00 0.00 H new ATOM 0 HB VAL A 48 -59.957 72.761 23.472 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -58.588 72.163 21.506 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -60.143 72.899 21.048 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -58.646 73.858 20.968 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -57.491 72.754 23.574 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -57.483 74.485 23.160 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -58.210 73.939 24.690 1.00 0.00 H new ATOM 750 N GLY A 49 -61.770 75.114 21.173 1.00 0.00 N ATOM 751 CA GLY A 49 -63.005 74.898 20.445 1.00 0.00 C ATOM 752 C GLY A 49 -62.909 73.693 19.544 1.00 0.00 C ATOM 753 O GLY A 49 -63.922 73.131 19.100 1.00 0.00 O ATOM 0 H GLY A 49 -61.083 75.688 20.685 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -63.826 74.763 21.150 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -63.238 75.781 19.850 1.00 0.00 H new ATOM 757 N GLY A 50 -61.697 73.301 19.283 1.00 0.00 N ATOM 758 CA GLY A 50 -61.416 72.178 18.447 1.00 0.00 C ATOM 759 C GLY A 50 -60.309 72.532 17.501 1.00 0.00 C ATOM 760 O GLY A 50 -59.752 73.632 17.594 1.00 0.00 O ATOM 0 H GLY A 50 -60.865 73.761 19.652 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -61.130 71.320 19.055 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -62.308 71.892 17.890 1.00 0.00 H new ATOM 764 N ASN A 51 -59.952 71.650 16.626 1.00 0.00 N ATOM 765 CA ASN A 51 -58.956 71.976 15.626 1.00 0.00 C ATOM 766 C ASN A 51 -59.629 72.367 14.353 1.00 0.00 C ATOM 767 O ASN A 51 -60.559 71.700 13.904 1.00 0.00 O ATOM 768 CB ASN A 51 -57.954 70.833 15.336 1.00 0.00 C ATOM 769 CG ASN A 51 -56.859 70.635 16.383 1.00 0.00 C ATOM 770 OD1 ASN A 51 -57.164 70.831 17.631 1.00 0.00 O flip ATOM 771 ND2 ASN A 51 -55.734 70.260 16.049 1.00 0.00 N flip ATOM 0 H ASN A 51 -60.324 70.702 16.572 1.00 0.00 H new ATOM 0 HA ASN A 51 -58.377 72.803 16.039 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -58.511 69.901 15.238 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -57.481 71.024 14.373 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -55.517 70.113 15.063 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -55.019 70.097 16.758 1.00 0.00 H new ATOM 778 N LEU A 52 -59.201 73.451 13.798 1.00 0.00 N ATOM 779 CA LEU A 52 -59.658 73.879 12.515 1.00 0.00 C ATOM 780 C LEU A 52 -58.938 73.056 11.492 1.00 0.00 C ATOM 781 O LEU A 52 -57.706 72.976 11.531 1.00 0.00 O ATOM 782 CB LEU A 52 -59.329 75.347 12.268 1.00 0.00 C ATOM 783 CG LEU A 52 -59.767 75.874 10.904 1.00 0.00 C ATOM 784 CD1 LEU A 52 -61.254 76.149 10.859 1.00 0.00 C ATOM 785 CD2 LEU A 52 -58.964 77.074 10.486 1.00 0.00 C ATOM 0 H LEU A 52 -58.516 74.073 14.226 1.00 0.00 H new ATOM 0 HA LEU A 52 -60.740 73.758 12.458 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -59.803 75.948 13.044 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -58.253 75.487 12.369 1.00 0.00 H new ATOM 0 HG LEU A 52 -59.566 75.087 10.177 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -61.525 76.523 9.872 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -61.801 75.228 11.061 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -61.509 76.895 11.612 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -59.306 77.419 9.510 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -59.093 77.871 11.218 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -57.910 76.803 10.426 1.00 0.00 H new ATOM 797 N PRO A 53 -59.669 72.422 10.595 1.00 0.00 N ATOM 798 CA PRO A 53 -59.080 71.607 9.568 1.00 0.00 C ATOM 799 C PRO A 53 -58.184 72.410 8.626 1.00 0.00 C ATOM 800 O PRO A 53 -58.362 73.633 8.444 1.00 0.00 O ATOM 801 CB PRO A 53 -60.257 71.052 8.791 1.00 0.00 C ATOM 802 CG PRO A 53 -61.491 71.705 9.301 1.00 0.00 C ATOM 803 CD PRO A 53 -61.139 72.452 10.532 1.00 0.00 C ATOM 0 HA PRO A 53 -58.445 70.838 10.007 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -60.136 71.246 7.725 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -60.319 69.971 8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -61.903 72.380 8.551 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -62.257 70.959 9.514 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -61.510 73.476 10.491 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -61.580 71.988 11.414 1.00 0.00 H new ATOM 811 N ALA A 54 -57.207 71.747 8.075 1.00 0.00 N ATOM 812 CA ALA A 54 -56.345 72.340 7.097 1.00 0.00 C ATOM 813 C ALA A 54 -57.142 72.590 5.824 1.00 0.00 C ATOM 814 O ALA A 54 -57.961 71.747 5.411 1.00 0.00 O ATOM 815 CB ALA A 54 -55.168 71.427 6.824 1.00 0.00 C ATOM 0 H ALA A 54 -56.987 70.775 8.294 1.00 0.00 H new ATOM 0 HA ALA A 54 -55.958 73.289 7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -54.517 71.885 6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -54.609 71.269 7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -55.530 70.469 6.450 1.00 0.00 H new ATOM 821 N GLY A 55 -56.939 73.735 5.227 1.00 0.00 N ATOM 822 CA GLY A 55 -57.660 74.086 4.033 1.00 0.00 C ATOM 823 C GLY A 55 -59.112 74.465 4.289 1.00 0.00 C ATOM 824 O GLY A 55 -59.936 74.356 3.391 1.00 0.00 O ATOM 0 H GLY A 55 -56.278 74.442 5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -57.156 74.920 3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -57.629 73.246 3.339 1.00 0.00 H new ATOM 828 N ALA A 56 -59.438 74.875 5.505 1.00 0.00 N ATOM 829 CA ALA A 56 -60.796 75.311 5.815 1.00 0.00 C ATOM 830 C ALA A 56 -60.938 76.797 5.553 1.00 0.00 C ATOM 831 O ALA A 56 -59.947 77.542 5.628 1.00 0.00 O ATOM 832 CB ALA A 56 -61.148 74.985 7.249 1.00 0.00 C ATOM 0 H ALA A 56 -58.788 74.916 6.290 1.00 0.00 H new ATOM 0 HA ALA A 56 -61.490 74.775 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -62.164 75.318 7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -61.080 73.908 7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -60.454 75.493 7.919 1.00 0.00 H new ATOM 838 N THR A 57 -62.139 77.219 5.234 1.00 0.00 N ATOM 839 CA THR A 57 -62.413 78.578 4.913 1.00 0.00 C ATOM 840 C THR A 57 -63.072 79.276 6.108 1.00 0.00 C ATOM 841 O THR A 57 -64.140 78.865 6.581 1.00 0.00 O ATOM 842 CB THR A 57 -63.373 78.631 3.724 1.00 0.00 C ATOM 843 OG1 THR A 57 -63.188 77.452 2.933 1.00 0.00 O ATOM 844 CG2 THR A 57 -63.036 79.815 2.864 1.00 0.00 C ATOM 0 H THR A 57 -62.957 76.611 5.193 1.00 0.00 H new ATOM 0 HA THR A 57 -61.478 79.081 4.667 1.00 0.00 H new ATOM 0 HB THR A 57 -64.398 78.704 4.087 1.00 0.00 H new ATOM 0 HG1 THR A 57 -63.799 77.472 2.167 1.00 0.00 H new ATOM 0 HG21 THR A 57 -63.719 79.855 2.016 1.00 0.00 H new ATOM 0 HG22 THR A 57 -63.131 80.729 3.450 1.00 0.00 H new ATOM 0 HG23 THR A 57 -62.012 79.722 2.501 1.00 0.00 H new ATOM 852 N ILE A 58 -62.433 80.287 6.601 1.00 0.00 N ATOM 853 CA ILE A 58 -62.931 81.055 7.708 1.00 0.00 C ATOM 854 C ILE A 58 -63.191 82.482 7.295 1.00 0.00 C ATOM 855 O ILE A 58 -62.351 83.113 6.691 1.00 0.00 O ATOM 856 CB ILE A 58 -61.907 81.067 8.877 1.00 0.00 C ATOM 857 CG1 ILE A 58 -61.806 79.697 9.540 1.00 0.00 C ATOM 858 CG2 ILE A 58 -62.245 82.145 9.904 1.00 0.00 C ATOM 859 CD1 ILE A 58 -63.045 79.304 10.309 1.00 0.00 C ATOM 0 H ILE A 58 -61.535 80.612 6.243 1.00 0.00 H new ATOM 0 HA ILE A 58 -63.860 80.587 8.034 1.00 0.00 H new ATOM 0 HB ILE A 58 -60.932 81.306 8.452 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -61.610 78.946 8.775 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -60.952 79.692 10.217 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -61.509 82.125 10.708 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -62.231 83.123 9.423 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -63.237 81.957 10.316 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -62.901 78.319 10.753 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -63.231 80.034 11.097 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -63.899 79.275 9.633 1.00 0.00 H new ATOM 871 N VAL A 59 -64.338 82.973 7.599 1.00 0.00 N ATOM 872 CA VAL A 59 -64.583 84.370 7.439 1.00 0.00 C ATOM 873 C VAL A 59 -64.483 85.014 8.820 1.00 0.00 C ATOM 874 O VAL A 59 -65.226 84.663 9.739 1.00 0.00 O ATOM 875 CB VAL A 59 -65.951 84.664 6.739 1.00 0.00 C ATOM 876 CG1 VAL A 59 -67.128 84.022 7.462 1.00 0.00 C ATOM 877 CG2 VAL A 59 -66.170 86.164 6.555 1.00 0.00 C ATOM 0 H VAL A 59 -65.125 82.433 7.960 1.00 0.00 H new ATOM 0 HA VAL A 59 -63.837 84.802 6.773 1.00 0.00 H new ATOM 0 HB VAL A 59 -65.900 84.205 5.752 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -68.052 84.258 6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -66.992 82.941 7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -67.184 84.407 8.480 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -67.129 86.334 6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -66.167 86.654 7.529 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -65.370 86.576 5.939 1.00 0.00 H new ATOM 887 N TYR A 60 -63.542 85.888 8.999 1.00 0.00 N ATOM 888 CA TYR A 60 -63.367 86.506 10.284 1.00 0.00 C ATOM 889 C TYR A 60 -63.704 87.966 10.198 1.00 0.00 C ATOM 890 O TYR A 60 -63.721 88.543 9.098 1.00 0.00 O ATOM 891 CB TYR A 60 -61.947 86.290 10.860 1.00 0.00 C ATOM 892 CG TYR A 60 -60.815 86.897 10.057 1.00 0.00 C ATOM 893 CD1 TYR A 60 -60.141 86.165 9.094 1.00 0.00 C ATOM 894 CD2 TYR A 60 -60.417 88.206 10.276 1.00 0.00 C ATOM 895 CE1 TYR A 60 -59.103 86.724 8.378 1.00 0.00 C ATOM 896 CE2 TYR A 60 -59.390 88.766 9.567 1.00 0.00 C ATOM 897 CZ TYR A 60 -58.733 88.029 8.624 1.00 0.00 C ATOM 898 OH TYR A 60 -57.714 88.604 7.905 1.00 0.00 O ATOM 0 H TYR A 60 -62.885 86.191 8.280 1.00 0.00 H new ATOM 0 HA TYR A 60 -64.053 86.022 10.980 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -61.916 86.704 11.868 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -61.770 85.218 10.950 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -60.432 85.143 8.901 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -60.928 88.796 11.022 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -58.584 86.143 7.630 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -59.099 89.789 9.753 1.00 0.00 H new ATOM 0 HH TYR A 60 -57.294 89.310 8.440 1.00 0.00 H new ATOM 908 N ASP A 61 -63.969 88.558 11.326 1.00 0.00 N ATOM 909 CA ASP A 61 -64.330 89.960 11.380 1.00 0.00 C ATOM 910 C ASP A 61 -63.396 90.716 12.283 1.00 0.00 C ATOM 911 O ASP A 61 -63.522 91.938 12.437 1.00 0.00 O ATOM 912 CB ASP A 61 -65.762 90.131 11.888 1.00 0.00 C ATOM 913 CG ASP A 61 -65.964 89.650 13.330 1.00 0.00 C ATOM 914 OD1 ASP A 61 -65.788 90.439 14.294 1.00 0.00 O ATOM 915 OD2 ASP A 61 -66.319 88.473 13.528 1.00 0.00 O1- ATOM 0 H ASP A 61 -63.944 88.093 12.234 1.00 0.00 H new ATOM 0 HA ASP A 61 -64.255 90.359 10.368 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -66.038 91.183 11.823 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -66.439 89.583 11.233 1.00 0.00 H new ATOM 920 N GLU A 62 -62.430 90.029 12.837 1.00 0.00 N ATOM 921 CA GLU A 62 -61.584 90.630 13.820 1.00 0.00 C ATOM 922 C GLU A 62 -60.253 89.922 13.859 1.00 0.00 C ATOM 923 O GLU A 62 -60.165 88.744 13.518 1.00 0.00 O ATOM 924 CB GLU A 62 -62.261 90.463 15.157 1.00 0.00 C ATOM 925 CG GLU A 62 -61.617 91.172 16.310 1.00 0.00 C ATOM 926 CD GLU A 62 -62.261 90.745 17.596 1.00 0.00 C ATOM 927 OE1 GLU A 62 -63.427 91.119 17.841 1.00 0.00 O ATOM 928 OE2 GLU A 62 -61.653 90.001 18.356 1.00 0.00 O1- ATOM 0 H GLU A 62 -62.215 89.056 12.621 1.00 0.00 H new ATOM 0 HA GLU A 62 -61.418 91.681 13.584 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -63.289 90.814 15.068 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -62.306 89.399 15.389 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -60.550 90.949 16.336 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -61.714 92.250 16.185 1.00 0.00 H new ATOM 935 N VAL A 63 -59.232 90.636 14.246 1.00 0.00 N ATOM 936 CA VAL A 63 -57.925 90.075 14.467 1.00 0.00 C ATOM 937 C VAL A 63 -57.466 90.584 15.818 1.00 0.00 C ATOM 938 O VAL A 63 -57.619 91.764 16.104 1.00 0.00 O ATOM 939 CB VAL A 63 -56.887 90.526 13.403 1.00 0.00 C ATOM 940 CG1 VAL A 63 -55.625 89.701 13.481 1.00 0.00 C ATOM 941 CG2 VAL A 63 -57.457 90.502 12.013 1.00 0.00 C ATOM 0 H VAL A 63 -59.284 91.640 14.420 1.00 0.00 H new ATOM 0 HA VAL A 63 -57.993 88.989 14.410 1.00 0.00 H new ATOM 0 HB VAL A 63 -56.630 91.560 13.632 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -54.920 90.042 12.723 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -55.178 89.812 14.469 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -55.865 88.652 13.307 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -56.696 90.825 11.302 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -57.776 89.489 11.768 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -58.313 91.175 11.959 1.00 0.00 H new ATOM 951 N CYS A 64 -56.959 89.713 16.630 1.00 0.00 N ATOM 952 CA CYS A 64 -56.467 90.055 17.943 1.00 0.00 C ATOM 953 C CYS A 64 -55.029 89.612 18.109 1.00 0.00 C ATOM 954 O CYS A 64 -54.604 88.657 17.504 1.00 0.00 O ATOM 955 CB CYS A 64 -57.331 89.424 19.037 1.00 0.00 C ATOM 956 SG CYS A 64 -58.935 90.209 19.309 1.00 0.00 S ATOM 0 H CYS A 64 -56.870 88.723 16.403 1.00 0.00 H new ATOM 0 HA CYS A 64 -56.518 91.139 18.041 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -57.496 88.376 18.786 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -56.773 89.443 19.973 1.00 0.00 H new ATOM 0 HG CYS A 64 -59.792 89.757 18.443 1.00 0.00 H new ATOM 962 N ILE A 65 -54.288 90.340 18.883 1.00 0.00 N ATOM 963 CA ILE A 65 -52.932 89.990 19.219 1.00 0.00 C ATOM 964 C ILE A 65 -52.863 89.785 20.714 1.00 0.00 C ATOM 965 O ILE A 65 -53.126 90.724 21.489 1.00 0.00 O ATOM 966 CB ILE A 65 -51.918 91.093 18.800 1.00 0.00 C ATOM 967 CG1 ILE A 65 -51.974 91.310 17.283 1.00 0.00 C ATOM 968 CG2 ILE A 65 -50.500 90.725 19.248 1.00 0.00 C ATOM 969 CD1 ILE A 65 -51.009 92.351 16.758 1.00 0.00 C ATOM 0 H ILE A 65 -54.607 91.210 19.309 1.00 0.00 H new ATOM 0 HA ILE A 65 -52.661 89.083 18.678 1.00 0.00 H new ATOM 0 HB ILE A 65 -52.192 92.025 19.294 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -51.770 90.362 16.786 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -52.988 91.602 17.008 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -49.807 91.510 18.945 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -50.477 90.620 20.333 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -50.205 89.783 18.786 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -51.119 92.437 15.677 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -51.224 93.313 17.222 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -49.988 92.053 16.996 1.00 0.00 H new ATOM 981 N GLN A 66 -52.553 88.573 21.119 1.00 0.00 N ATOM 982 CA GLN A 66 -52.489 88.230 22.515 1.00 0.00 C ATOM 983 C GLN A 66 -51.724 86.930 22.685 1.00 0.00 C ATOM 984 O GLN A 66 -51.751 86.067 21.790 1.00 0.00 O ATOM 985 CB GLN A 66 -53.907 88.086 23.088 1.00 0.00 C ATOM 986 CG GLN A 66 -53.960 87.866 24.587 1.00 0.00 C ATOM 987 CD GLN A 66 -53.299 88.989 25.351 1.00 0.00 C ATOM 988 OE1 GLN A 66 -52.104 88.931 25.644 1.00 0.00 O ATOM 989 NE2 GLN A 66 -54.042 90.014 25.653 1.00 0.00 N ATOM 0 H GLN A 66 -52.339 87.801 20.487 1.00 0.00 H new ATOM 0 HA GLN A 66 -51.972 89.023 23.056 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -54.476 88.983 22.845 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -54.402 87.250 22.593 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -54.999 87.776 24.903 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -53.470 86.924 24.832 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -55.028 90.024 25.392 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -53.638 90.808 26.150 1.00 0.00 H new ATOM 998 N ALA A 67 -51.011 86.813 23.807 1.00 0.00 N ATOM 999 CA ALA A 67 -50.257 85.612 24.179 1.00 0.00 C ATOM 1000 C ALA A 67 -49.182 85.279 23.136 1.00 0.00 C ATOM 1001 O ALA A 67 -48.863 84.103 22.893 1.00 0.00 O ATOM 1002 CB ALA A 67 -51.209 84.430 24.392 1.00 0.00 C ATOM 0 H ALA A 67 -50.940 87.563 24.495 1.00 0.00 H new ATOM 0 HA ALA A 67 -49.743 85.812 25.119 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -50.635 83.545 24.668 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -51.913 84.669 25.189 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -51.757 84.234 23.471 1.00 0.00 H new ATOM 1008 N GLY A 68 -48.655 86.320 22.494 1.00 0.00 N ATOM 1009 CA GLY A 68 -47.608 86.164 21.496 1.00 0.00 C ATOM 1010 C GLY A 68 -48.130 85.636 20.183 1.00 0.00 C ATOM 1011 O GLY A 68 -47.365 85.300 19.282 1.00 0.00 O ATOM 0 H GLY A 68 -48.941 87.286 22.652 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -47.124 87.126 21.329 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -46.845 85.486 21.878 1.00 0.00 H new ATOM 1015 N HIS A 69 -49.417 85.527 20.083 1.00 0.00 N ATOM 1016 CA HIS A 69 -50.050 85.011 18.911 1.00 0.00 C ATOM 1017 C HIS A 69 -50.975 86.038 18.322 1.00 0.00 C ATOM 1018 O HIS A 69 -51.450 86.930 19.023 1.00 0.00 O ATOM 1019 CB HIS A 69 -50.835 83.738 19.238 1.00 0.00 C ATOM 1020 CG HIS A 69 -50.006 82.529 19.562 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -49.388 82.316 20.783 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -49.724 81.441 18.816 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -48.775 81.152 20.760 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -48.964 80.603 19.582 1.00 0.00 N ATOM 0 H HIS A 69 -50.066 85.797 20.822 1.00 0.00 H new ATOM 0 HA HIS A 69 -49.274 84.770 18.184 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -51.490 83.944 20.084 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -51.476 83.500 18.389 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -49.405 82.959 21.574 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -50.041 81.265 17.799 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -48.211 80.720 21.574 1.00 0.00 H new ATOM 1033 N ILE A 70 -51.200 85.934 17.050 1.00 0.00 N ATOM 1034 CA ILE A 70 -52.183 86.735 16.389 1.00 0.00 C ATOM 1035 C ILE A 70 -53.354 85.824 16.098 1.00 0.00 C ATOM 1036 O ILE A 70 -53.161 84.693 15.628 1.00 0.00 O ATOM 1037 CB ILE A 70 -51.645 87.383 15.092 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -50.431 88.255 15.416 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -52.725 88.194 14.397 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -49.942 89.118 14.270 1.00 0.00 C ATOM 0 H ILE A 70 -50.704 85.287 16.437 1.00 0.00 H new ATOM 0 HA ILE A 70 -52.475 87.569 17.027 1.00 0.00 H new ATOM 0 HB ILE A 70 -51.339 86.592 14.407 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -50.680 88.901 16.258 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -49.614 87.610 15.740 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -52.319 88.638 13.488 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -53.561 87.543 14.140 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -53.072 88.984 15.063 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -49.079 89.700 14.595 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -49.656 88.482 13.432 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -50.738 89.794 13.958 1.00 0.00 H new ATOM 1052 N TRP A 71 -54.527 86.287 16.386 1.00 0.00 N ATOM 1053 CA TRP A 71 -55.716 85.486 16.346 1.00 0.00 C ATOM 1054 C TRP A 71 -56.731 86.136 15.474 1.00 0.00 C ATOM 1055 O TRP A 71 -56.763 87.345 15.366 1.00 0.00 O ATOM 1056 CB TRP A 71 -56.337 85.422 17.743 1.00 0.00 C ATOM 1057 CG TRP A 71 -55.438 84.947 18.830 1.00 0.00 C ATOM 1058 CD1 TRP A 71 -54.510 85.680 19.506 1.00 0.00 C ATOM 1059 CD2 TRP A 71 -55.417 83.653 19.398 1.00 0.00 C ATOM 1060 NE1 TRP A 71 -53.896 84.903 20.442 1.00 0.00 N ATOM 1061 CE2 TRP A 71 -54.436 83.654 20.403 1.00 0.00 C ATOM 1062 CE3 TRP A 71 -56.125 82.488 19.149 1.00 0.00 C ATOM 1063 CZ2 TRP A 71 -54.152 82.532 21.161 1.00 0.00 C ATOM 1064 CZ3 TRP A 71 -55.845 81.377 19.903 1.00 0.00 C ATOM 1065 CH2 TRP A 71 -54.866 81.403 20.898 1.00 0.00 C ATOM 0 H TRP A 71 -54.693 87.255 16.663 1.00 0.00 H new ATOM 0 HA TRP A 71 -55.447 84.496 15.978 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -56.699 86.416 18.005 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -57.207 84.766 17.704 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -54.293 86.723 19.327 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -53.152 85.208 21.070 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -56.881 82.456 18.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -53.394 82.551 21.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -56.393 80.464 19.723 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -54.671 80.509 21.471 1.00 0.00 H new ATOM 1076 N ILE A 72 -57.546 85.360 14.864 1.00 0.00 N ATOM 1077 CA ILE A 72 -58.665 85.879 14.146 1.00 0.00 C ATOM 1078 C ILE A 72 -59.924 85.594 14.932 1.00 0.00 C ATOM 1079 O ILE A 72 -60.080 84.506 15.497 1.00 0.00 O ATOM 1080 CB ILE A 72 -58.796 85.309 12.726 1.00 0.00 C ATOM 1081 CG1 ILE A 72 -58.821 83.779 12.753 1.00 0.00 C ATOM 1082 CG2 ILE A 72 -57.663 85.834 11.850 1.00 0.00 C ATOM 1083 CD1 ILE A 72 -59.257 83.162 11.456 1.00 0.00 C ATOM 0 H ILE A 72 -57.463 84.344 14.844 1.00 0.00 H new ATOM 0 HA ILE A 72 -58.509 86.952 14.032 1.00 0.00 H new ATOM 0 HB ILE A 72 -59.742 85.640 12.297 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -57.826 83.412 13.004 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -59.492 83.449 13.546 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -57.762 85.426 10.844 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -57.711 86.922 11.806 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -56.705 85.530 12.273 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -59.251 82.076 11.549 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -60.265 83.499 11.213 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -58.573 83.462 10.662 1.00 0.00 H new ATOM 1095 N GLY A 73 -60.780 86.562 15.001 1.00 0.00 N ATOM 1096 CA GLY A 73 -62.001 86.422 15.724 1.00 0.00 C ATOM 1097 C GLY A 73 -63.153 86.228 14.793 1.00 0.00 C ATOM 1098 O GLY A 73 -63.397 87.062 13.901 1.00 0.00 O ATOM 0 H GLY A 73 -60.652 87.472 14.558 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -61.930 85.573 16.404 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -62.169 87.308 16.337 1.00 0.00 H new ATOM 1102 N TYR A 74 -63.836 85.131 14.950 1.00 0.00 N ATOM 1103 CA TYR A 74 -64.985 84.834 14.148 1.00 0.00 C ATOM 1104 C TYR A 74 -66.023 84.174 15.014 1.00 0.00 C ATOM 1105 O TYR A 74 -65.768 83.912 16.194 1.00 0.00 O ATOM 1106 CB TYR A 74 -64.612 83.952 12.940 1.00 0.00 C ATOM 1107 CG TYR A 74 -63.909 82.648 13.271 1.00 0.00 C ATOM 1108 CD1 TYR A 74 -64.620 81.464 13.418 1.00 0.00 C ATOM 1109 CD2 TYR A 74 -62.528 82.602 13.404 1.00 0.00 C ATOM 1110 CE1 TYR A 74 -63.973 80.278 13.684 1.00 0.00 C ATOM 1111 CE2 TYR A 74 -61.879 81.423 13.676 1.00 0.00 C ATOM 1112 CZ TYR A 74 -62.601 80.263 13.811 1.00 0.00 C ATOM 1113 OH TYR A 74 -61.952 79.079 14.063 1.00 0.00 O ATOM 0 H TYR A 74 -63.610 84.415 15.641 1.00 0.00 H new ATOM 0 HA TYR A 74 -65.393 85.760 13.742 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -65.522 83.723 12.386 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -63.971 84.531 12.275 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -65.696 81.474 13.322 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -61.954 83.510 13.292 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -64.538 79.364 13.793 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -60.804 81.408 13.783 1.00 0.00 H new ATOM 0 HH TYR A 74 -61.214 78.969 13.427 1.00 0.00 H new ATOM 1203 N ARG A 81 -67.802 82.860 20.109 1.00 0.00 N ATOM 1204 CA ARG A 81 -66.638 83.541 19.561 1.00 0.00 C ATOM 1205 C ARG A 81 -65.519 82.548 19.481 1.00 0.00 C ATOM 1206 O ARG A 81 -65.217 81.896 20.464 1.00 0.00 O ATOM 1207 CB ARG A 81 -66.188 84.686 20.486 1.00 0.00 C ATOM 1208 CG ARG A 81 -65.301 85.736 19.811 1.00 0.00 C ATOM 1209 CD ARG A 81 -65.999 86.371 18.614 1.00 0.00 C ATOM 1210 NE ARG A 81 -65.314 87.575 18.118 1.00 0.00 N ATOM 1211 CZ ARG A 81 -65.517 88.123 16.907 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -66.272 87.502 16.013 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 81 -64.967 89.281 16.587 1.00 0.00 N ATOM 0 HA ARG A 81 -66.892 83.950 18.583 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -67.072 85.180 20.888 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -65.647 84.262 21.332 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -65.038 86.510 20.532 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -64.369 85.272 19.486 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -66.064 85.639 17.809 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -67.021 86.630 18.892 1.00 0.00 H new ATOM 0 HE ARG A 81 -64.638 88.025 18.736 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -66.701 86.606 16.242 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -66.424 87.920 15.095 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -64.380 89.771 17.262 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -65.129 89.685 15.665 1.00 0.00 H new ATOM 1227 N VAL A 82 -64.928 82.404 18.350 1.00 0.00 N ATOM 1228 CA VAL A 82 -63.819 81.515 18.229 1.00 0.00 C ATOM 1229 C VAL A 82 -62.641 82.271 17.702 1.00 0.00 C ATOM 1230 O VAL A 82 -62.776 83.117 16.803 1.00 0.00 O ATOM 1231 CB VAL A 82 -64.119 80.279 17.339 1.00 0.00 C ATOM 1232 CG1 VAL A 82 -62.947 79.318 17.311 1.00 0.00 C ATOM 1233 CG2 VAL A 82 -65.356 79.570 17.820 1.00 0.00 C ATOM 0 H VAL A 82 -65.190 82.889 17.492 1.00 0.00 H new ATOM 0 HA VAL A 82 -63.603 81.122 19.222 1.00 0.00 H new ATOM 0 HB VAL A 82 -64.287 80.638 16.323 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -63.191 78.464 16.679 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -62.069 79.826 16.911 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -62.736 78.972 18.323 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -65.551 78.706 17.184 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -65.209 79.238 18.848 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -66.206 80.251 17.777 1.00 0.00 H new ATOM 1243 N TYR A 83 -61.532 82.020 18.301 1.00 0.00 N ATOM 1244 CA TYR A 83 -60.298 82.620 17.929 1.00 0.00 C ATOM 1245 C TYR A 83 -59.351 81.573 17.430 1.00 0.00 C ATOM 1246 O TYR A 83 -59.080 80.585 18.113 1.00 0.00 O ATOM 1247 CB TYR A 83 -59.672 83.391 19.088 1.00 0.00 C ATOM 1248 CG TYR A 83 -60.350 84.697 19.409 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -61.419 84.761 20.286 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -59.899 85.876 18.841 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -62.014 85.967 20.588 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -60.491 87.079 19.134 1.00 0.00 C ATOM 1253 CZ TYR A 83 -61.547 87.122 20.006 1.00 0.00 C ATOM 1254 OH TYR A 83 -62.129 88.330 20.318 1.00 0.00 O ATOM 0 H TYR A 83 -61.454 81.373 19.086 1.00 0.00 H new ATOM 0 HA TYR A 83 -60.501 83.335 17.131 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -59.687 82.761 19.977 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -58.626 83.587 18.854 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -61.792 83.854 20.739 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -59.066 85.849 18.154 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -62.843 86.005 21.279 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -60.126 87.988 18.679 1.00 0.00 H new ATOM 0 HH TYR A 83 -61.692 89.045 19.810 1.00 0.00 H new ATOM 1264 N CYS A 84 -58.892 81.764 16.249 1.00 0.00 N ATOM 1265 CA CYS A 84 -57.939 80.883 15.657 1.00 0.00 C ATOM 1266 C CYS A 84 -56.625 81.629 15.538 1.00 0.00 C ATOM 1267 O CYS A 84 -56.601 82.746 15.015 1.00 0.00 O ATOM 1268 CB CYS A 84 -58.426 80.426 14.271 1.00 0.00 C ATOM 1269 SG CYS A 84 -57.310 79.299 13.401 1.00 0.00 S ATOM 0 H CYS A 84 -59.167 82.545 15.653 1.00 0.00 H new ATOM 0 HA CYS A 84 -57.810 79.994 16.274 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -59.394 79.938 14.385 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -58.585 81.307 13.650 1.00 0.00 H new ATOM 0 HG CYS A 84 -57.584 79.312 12.130 1.00 0.00 H new ATOM 1275 N PRO A 85 -55.531 81.077 16.071 1.00 0.00 N ATOM 1276 CA PRO A 85 -54.234 81.686 15.928 1.00 0.00 C ATOM 1277 C PRO A 85 -53.776 81.518 14.495 1.00 0.00 C ATOM 1278 O PRO A 85 -53.859 80.440 13.932 1.00 0.00 O ATOM 1279 CB PRO A 85 -53.339 80.920 16.906 1.00 0.00 C ATOM 1280 CG PRO A 85 -54.020 79.613 17.130 1.00 0.00 C ATOM 1281 CD PRO A 85 -55.484 79.816 16.825 1.00 0.00 C ATOM 0 HA PRO A 85 -54.220 82.754 16.143 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -52.340 80.776 16.494 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -53.222 81.467 17.842 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -53.596 78.843 16.486 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -53.884 79.279 18.159 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -55.886 78.989 16.240 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -56.075 79.878 17.739 1.00 0.00 H new ATOM 1289 N VAL A 86 -53.358 82.575 13.892 1.00 0.00 N ATOM 1290 CA VAL A 86 -53.018 82.529 12.489 1.00 0.00 C ATOM 1291 C VAL A 86 -51.552 82.767 12.227 1.00 0.00 C ATOM 1292 O VAL A 86 -51.082 82.576 11.103 1.00 0.00 O ATOM 1293 CB VAL A 86 -53.870 83.525 11.683 1.00 0.00 C ATOM 1294 CG1 VAL A 86 -55.320 83.093 11.706 1.00 0.00 C ATOM 1295 CG2 VAL A 86 -53.736 84.940 12.247 1.00 0.00 C ATOM 0 H VAL A 86 -53.239 83.486 14.335 1.00 0.00 H new ATOM 0 HA VAL A 86 -53.240 81.515 12.157 1.00 0.00 H new ATOM 0 HB VAL A 86 -53.511 83.533 10.654 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -55.920 83.801 11.134 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -55.411 82.101 11.264 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -55.675 83.066 12.736 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -54.348 85.625 11.660 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -54.072 84.952 13.284 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -52.693 85.253 12.200 1.00 0.00 H new ATOM 1305 N ARG A 87 -50.841 83.189 13.262 1.00 0.00 N ATOM 1306 CA ARG A 87 -49.418 83.494 13.203 1.00 0.00 C ATOM 1307 C ARG A 87 -48.992 83.969 14.575 1.00 0.00 C ATOM 1308 O ARG A 87 -49.841 84.117 15.475 1.00 0.00 O ATOM 1309 CB ARG A 87 -49.135 84.576 12.124 1.00 0.00 C ATOM 1310 CG ARG A 87 -49.868 85.880 12.345 1.00 0.00 C ATOM 1311 CD ARG A 87 -50.089 86.647 11.047 1.00 0.00 C ATOM 1312 NE ARG A 87 -48.851 86.987 10.341 1.00 0.00 N ATOM 1313 CZ ARG A 87 -48.737 87.980 9.448 1.00 0.00 C ATOM 1314 NH1 ARG A 87 -49.790 88.736 9.155 1.00 0.00 N1+ ATOM 1315 NH2 ARG A 87 -47.568 88.207 8.856 1.00 0.00 N ATOM 0 H ARG A 87 -51.246 83.332 14.187 1.00 0.00 H new ATOM 0 HA ARG A 87 -48.849 82.607 12.923 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -48.064 84.775 12.097 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -49.410 84.179 11.147 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -50.831 85.678 12.813 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -49.300 86.500 13.039 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -50.720 86.052 10.387 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -50.634 87.565 11.267 1.00 0.00 H new ATOM 0 HE ARG A 87 -48.020 86.431 10.543 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -50.686 88.561 9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -49.702 89.491 8.475 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -46.761 87.626 9.082 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -47.479 88.962 8.176 1.00 0.00 H new ATOM 1329 N THR A 88 -47.732 84.168 14.762 1.00 0.00 N ATOM 1330 CA THR A 88 -47.212 84.657 16.003 1.00 0.00 C ATOM 1331 C THR A 88 -46.950 86.160 15.925 1.00 0.00 C ATOM 1332 O THR A 88 -47.006 86.746 14.838 1.00 0.00 O ATOM 1333 CB THR A 88 -45.928 83.894 16.343 1.00 0.00 C ATOM 1334 OG1 THR A 88 -45.176 83.670 15.122 1.00 0.00 O ATOM 1335 CG2 THR A 88 -46.263 82.565 17.000 1.00 0.00 C ATOM 0 H THR A 88 -47.021 83.995 14.051 1.00 0.00 H new ATOM 0 HA THR A 88 -47.945 84.493 16.793 1.00 0.00 H new ATOM 0 HB THR A 88 -45.330 84.481 17.041 1.00 0.00 H new ATOM 0 HG1 THR A 88 -44.351 83.183 15.330 1.00 0.00 H new ATOM 0 HG21 THR A 88 -45.341 82.033 17.236 1.00 0.00 H new ATOM 0 HG22 THR A 88 -46.824 82.744 17.917 1.00 0.00 H new ATOM 0 HG23 THR A 88 -46.864 81.963 16.318 1.00 0.00 H new ATOM 1343 N CYS A 89 -46.719 86.773 17.053 1.00 0.00 N ATOM 1344 CA CYS A 89 -46.397 88.166 17.129 1.00 0.00 C ATOM 1345 C CYS A 89 -45.424 88.386 18.249 1.00 0.00 C ATOM 1346 O CYS A 89 -45.644 87.924 19.376 1.00 0.00 O ATOM 1347 CB CYS A 89 -47.645 89.017 17.365 1.00 0.00 C ATOM 1348 SG CYS A 89 -47.326 90.796 17.496 1.00 0.00 S ATOM 0 H CYS A 89 -46.751 86.308 17.960 1.00 0.00 H new ATOM 0 HA CYS A 89 -45.957 88.468 16.179 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -48.346 88.845 16.548 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -48.132 88.679 18.280 1.00 0.00 H new ATOM 0 HG CYS A 89 -47.128 91.111 18.742 1.00 0.00 H new ATOM 1354 N GLN A 90 -44.346 89.044 17.944 1.00 0.00 N ATOM 1355 CA GLN A 90 -43.382 89.384 18.934 1.00 0.00 C ATOM 1356 C GLN A 90 -43.762 90.732 19.490 1.00 0.00 C ATOM 1357 O GLN A 90 -43.514 91.770 18.859 1.00 0.00 O ATOM 1358 CB GLN A 90 -41.987 89.438 18.335 1.00 0.00 C ATOM 1359 CG GLN A 90 -40.868 89.572 19.352 1.00 0.00 C ATOM 1360 CD GLN A 90 -39.500 89.472 18.716 1.00 0.00 C ATOM 1361 OE1 GLN A 90 -39.306 89.815 17.540 1.00 0.00 O ATOM 1362 NE2 GLN A 90 -38.541 89.028 19.471 1.00 0.00 N ATOM 0 H GLN A 90 -44.115 89.358 17.001 1.00 0.00 H new ATOM 0 HA GLN A 90 -43.370 88.630 19.721 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -41.822 88.534 17.750 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -41.935 90.279 17.644 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -40.959 90.530 19.865 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -40.972 88.794 20.108 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -38.735 88.754 20.434 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -37.594 88.953 19.101 1.00 0.00 H new ATOM 1371 N GLY A 91 -44.452 90.712 20.586 1.00 0.00 N ATOM 1372 CA GLY A 91 -44.824 91.923 21.224 1.00 0.00 C ATOM 1373 C GLY A 91 -46.217 92.348 20.887 1.00 0.00 C ATOM 1374 O GLY A 91 -47.060 91.525 20.481 1.00 0.00 O ATOM 0 H GLY A 91 -44.768 89.863 21.055 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -44.737 91.802 22.304 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -44.128 92.710 20.934 1.00 0.00 H new ATOM 1378 N VAL A 92 -46.466 93.610 21.050 1.00 0.00 N ATOM 1379 CA VAL A 92 -47.746 94.199 20.796 1.00 0.00 C ATOM 1380 C VAL A 92 -47.578 95.421 19.923 1.00 0.00 C ATOM 1381 O VAL A 92 -46.537 96.077 19.972 1.00 0.00 O ATOM 1382 CB VAL A 92 -48.498 94.575 22.107 1.00 0.00 C ATOM 1383 CG1 VAL A 92 -48.985 93.327 22.808 1.00 0.00 C ATOM 1384 CG2 VAL A 92 -47.610 95.397 23.043 1.00 0.00 C ATOM 0 H VAL A 92 -45.766 94.278 21.372 1.00 0.00 H new ATOM 0 HA VAL A 92 -48.354 93.455 20.282 1.00 0.00 H new ATOM 0 HB VAL A 92 -49.357 95.189 21.836 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -49.509 93.604 23.723 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -49.664 92.783 22.152 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -48.134 92.693 23.055 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -48.165 95.643 23.948 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -46.725 94.818 23.306 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -47.307 96.317 22.542 1.00 0.00 H new ATOM 1394 N PRO A 93 -48.583 95.750 19.114 1.00 0.00 N ATOM 1395 CA PRO A 93 -48.517 96.891 18.215 1.00 0.00 C ATOM 1396 C PRO A 93 -48.470 98.228 19.007 1.00 0.00 C ATOM 1397 O PRO A 93 -48.764 98.247 20.207 1.00 0.00 O ATOM 1398 CB PRO A 93 -49.800 96.776 17.399 1.00 0.00 C ATOM 1399 CG PRO A 93 -50.725 95.999 18.250 1.00 0.00 C ATOM 1400 CD PRO A 93 -49.883 95.065 19.048 1.00 0.00 C ATOM 0 HA PRO A 93 -47.621 96.891 17.595 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -50.209 97.759 17.166 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -49.620 96.272 16.449 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -51.298 96.658 18.902 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -51.443 95.450 17.641 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -50.300 94.897 20.041 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -49.799 94.090 18.568 1.00 0.00 H new ATOM 1408 N PRO A 94 -48.114 99.367 18.362 1.00 0.00 N ATOM 1409 CA PRO A 94 -47.854 99.454 16.923 1.00 0.00 C ATOM 1410 C PRO A 94 -46.523 98.841 16.513 1.00 0.00 C ATOM 1411 O PRO A 94 -46.219 98.736 15.338 1.00 0.00 O ATOM 1412 CB PRO A 94 -47.881 100.953 16.635 1.00 0.00 C ATOM 1413 CG PRO A 94 -47.474 101.593 17.915 1.00 0.00 C ATOM 1414 CD PRO A 94 -47.921 100.672 19.024 1.00 0.00 C ATOM 0 HA PRO A 94 -48.592 98.889 16.353 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -47.197 101.213 15.827 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -48.875 101.279 16.328 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -46.395 101.741 17.947 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -47.934 102.576 18.019 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -47.173 100.610 19.815 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -48.844 101.024 19.485 1.00 0.00 H new ATOM 1422 N ASN A 95 -45.731 98.429 17.459 1.00 0.00 N ATOM 1423 CA ASN A 95 -44.537 97.740 17.090 1.00 0.00 C ATOM 1424 C ASN A 95 -44.759 96.278 17.285 1.00 0.00 C ATOM 1425 O ASN A 95 -44.319 95.683 18.265 1.00 0.00 O ATOM 1426 CB ASN A 95 -43.322 98.244 17.885 1.00 0.00 C ATOM 1427 CG ASN A 95 -43.030 99.713 17.627 1.00 0.00 C ATOM 1428 OD1 ASN A 95 -43.275 100.233 16.530 1.00 0.00 O ATOM 1429 ND2 ASN A 95 -42.504 100.391 18.609 1.00 0.00 N ATOM 0 H ASN A 95 -45.884 98.554 18.460 1.00 0.00 H new ATOM 0 HA ASN A 95 -44.312 97.936 16.042 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -43.500 98.093 18.950 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -42.447 97.650 17.621 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -42.282 101.379 18.485 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -42.314 99.933 19.501 1.00 0.00 H new ATOM 1436 N GLN A 96 -45.468 95.701 16.347 1.00 0.00 N ATOM 1437 CA GLN A 96 -45.745 94.301 16.370 1.00 0.00 C ATOM 1438 C GLN A 96 -44.842 93.632 15.374 1.00 0.00 C ATOM 1439 O GLN A 96 -44.397 94.270 14.402 1.00 0.00 O ATOM 1440 CB GLN A 96 -47.216 93.984 16.014 1.00 0.00 C ATOM 1441 CG GLN A 96 -47.583 94.224 14.556 1.00 0.00 C ATOM 1442 CD GLN A 96 -47.942 95.646 14.207 1.00 0.00 C ATOM 1443 OE1 GLN A 96 -47.081 96.450 13.868 1.00 0.00 O ATOM 1444 NE2 GLN A 96 -49.207 95.952 14.239 1.00 0.00 N ATOM 0 H GLN A 96 -45.866 96.196 15.549 1.00 0.00 H new ATOM 0 HA GLN A 96 -45.572 93.934 17.381 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -47.418 92.941 16.259 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -47.867 94.591 16.643 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -46.744 93.915 13.932 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -48.425 93.581 14.300 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -49.893 95.255 14.527 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -49.512 96.889 13.976 1.00 0.00 H new ATOM 1453 N ILE A 97 -44.540 92.397 15.597 1.00 0.00 N ATOM 1454 CA ILE A 97 -43.737 91.648 14.662 1.00 0.00 C ATOM 1455 C ILE A 97 -44.423 90.313 14.387 1.00 0.00 C ATOM 1456 O ILE A 97 -44.223 89.337 15.127 1.00 0.00 O ATOM 1457 CB ILE A 97 -42.295 91.418 15.197 1.00 0.00 C ATOM 1458 CG1 ILE A 97 -41.666 92.760 15.590 1.00 0.00 C ATOM 1459 CG2 ILE A 97 -41.442 90.712 14.144 1.00 0.00 C ATOM 1460 CD1 ILE A 97 -40.320 92.682 16.256 1.00 0.00 C ATOM 0 H ILE A 97 -44.835 91.873 16.421 1.00 0.00 H new ATOM 0 HA ILE A 97 -43.647 92.220 13.739 1.00 0.00 H new ATOM 0 HB ILE A 97 -42.342 90.780 16.080 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -41.572 93.372 14.693 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -42.352 93.279 16.259 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -40.436 90.558 14.534 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -41.888 89.748 13.901 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -41.393 91.326 13.245 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -39.971 93.688 16.490 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -40.402 92.104 17.176 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -39.610 92.198 15.586 1.00 0.00 H new ATOM 1472 N PRO A 98 -45.330 90.282 13.404 1.00 0.00 N ATOM 1473 CA PRO A 98 -46.049 89.070 13.040 1.00 0.00 C ATOM 1474 C PRO A 98 -45.175 88.064 12.289 1.00 0.00 C ATOM 1475 O PRO A 98 -44.400 88.429 11.396 1.00 0.00 O ATOM 1476 CB PRO A 98 -47.169 89.585 12.138 1.00 0.00 C ATOM 1477 CG PRO A 98 -46.623 90.821 11.528 1.00 0.00 C ATOM 1478 CD PRO A 98 -45.766 91.443 12.583 1.00 0.00 C ATOM 0 HA PRO A 98 -46.400 88.529 13.919 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -47.433 88.851 11.377 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -48.074 89.792 12.709 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -46.042 90.594 10.634 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -47.424 91.496 11.225 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -44.916 91.971 12.150 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -46.323 92.168 13.177 1.00 0.00 H new ATOM 1486 N GLY A 99 -45.285 86.815 12.672 1.00 0.00 N ATOM 1487 CA GLY A 99 -44.572 85.753 12.004 1.00 0.00 C ATOM 1488 C GLY A 99 -45.299 85.326 10.751 1.00 0.00 C ATOM 1489 O GLY A 99 -46.285 85.972 10.352 1.00 0.00 O ATOM 0 H GLY A 99 -45.867 86.507 13.451 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -43.566 86.087 11.750 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -44.465 84.902 12.676 1.00 0.00 H new ATOM 1493 N VAL A 100 -44.861 84.248 10.147 1.00 0.00 N ATOM 1494 CA VAL A 100 -45.467 83.767 8.919 1.00 0.00 C ATOM 1495 C VAL A 100 -46.881 83.234 9.197 1.00 0.00 C ATOM 1496 O VAL A 100 -47.127 82.594 10.225 1.00 0.00 O ATOM 1497 CB VAL A 100 -44.578 82.687 8.207 1.00 0.00 C ATOM 1498 CG1 VAL A 100 -44.400 81.439 9.059 1.00 0.00 C ATOM 1499 CG2 VAL A 100 -45.123 82.333 6.826 1.00 0.00 C ATOM 0 H VAL A 100 -44.083 83.681 10.484 1.00 0.00 H new ATOM 0 HA VAL A 100 -45.543 84.610 8.232 1.00 0.00 H new ATOM 0 HB VAL A 100 -43.592 83.132 8.074 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -43.778 80.720 8.526 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -43.920 81.706 10.000 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -45.375 80.995 9.262 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -44.482 81.583 6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -46.133 81.936 6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -45.143 83.227 6.203 1.00 0.00 H new ATOM 1509 N ALA A 101 -47.798 83.550 8.317 1.00 0.00 N ATOM 1510 CA ALA A 101 -49.168 83.142 8.457 1.00 0.00 C ATOM 1511 C ALA A 101 -49.324 81.668 8.204 1.00 0.00 C ATOM 1512 O ALA A 101 -48.693 81.107 7.298 1.00 0.00 O ATOM 1513 CB ALA A 101 -50.050 83.923 7.524 1.00 0.00 C ATOM 0 H ALA A 101 -47.611 84.101 7.479 1.00 0.00 H new ATOM 0 HA ALA A 101 -49.473 83.346 9.483 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -51.084 83.600 7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -49.973 84.986 7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -49.734 83.751 6.495 1.00 0.00 H new ATOM 1519 N TRP A 102 -50.174 81.053 8.981 1.00 0.00 N ATOM 1520 CA TRP A 102 -50.434 79.630 8.887 1.00 0.00 C ATOM 1521 C TRP A 102 -51.539 79.357 7.859 1.00 0.00 C ATOM 1522 O TRP A 102 -51.940 78.219 7.633 1.00 0.00 O ATOM 1523 CB TRP A 102 -50.806 79.074 10.275 1.00 0.00 C ATOM 1524 CG TRP A 102 -49.753 79.331 11.338 1.00 0.00 C ATOM 1525 CD1 TRP A 102 -48.438 79.608 11.136 1.00 0.00 C ATOM 1526 CD2 TRP A 102 -49.932 79.310 12.758 1.00 0.00 C ATOM 1527 NE1 TRP A 102 -47.798 79.799 12.336 1.00 0.00 N ATOM 1528 CE2 TRP A 102 -48.689 79.612 13.344 1.00 0.00 C ATOM 1529 CE3 TRP A 102 -51.016 79.080 13.585 1.00 0.00 C ATOM 1530 CZ2 TRP A 102 -48.512 79.683 14.721 1.00 0.00 C ATOM 1531 CZ3 TRP A 102 -50.841 79.146 14.947 1.00 0.00 C ATOM 1532 CH2 TRP A 102 -49.599 79.447 15.505 1.00 0.00 C ATOM 0 H TRP A 102 -50.714 81.525 9.706 1.00 0.00 H new ATOM 0 HA TRP A 102 -49.533 79.120 8.547 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -51.748 79.519 10.594 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -50.973 78.000 10.194 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -47.963 79.669 10.168 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -46.814 80.042 12.451 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -51.985 78.852 13.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -47.549 79.916 15.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -51.683 78.961 15.598 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -49.498 79.494 16.579 1.00 0.00 H new ATOM 1543 N GLY A 103 -51.996 80.420 7.234 1.00 0.00 N ATOM 1544 CA GLY A 103 -53.002 80.342 6.221 1.00 0.00 C ATOM 1545 C GLY A 103 -52.961 81.571 5.367 1.00 0.00 C ATOM 1546 O GLY A 103 -51.947 82.275 5.355 1.00 0.00 O ATOM 0 H GLY A 103 -51.670 81.368 7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -52.844 79.456 5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -53.985 80.240 6.680 1.00 0.00 H new ATOM 1550 N VAL A 104 -54.030 81.842 4.679 1.00 0.00 N ATOM 1551 CA VAL A 104 -54.116 82.993 3.805 1.00 0.00 C ATOM 1552 C VAL A 104 -55.160 83.931 4.343 1.00 0.00 C ATOM 1553 O VAL A 104 -56.135 83.493 4.939 1.00 0.00 O ATOM 1554 CB VAL A 104 -54.601 82.609 2.393 1.00 0.00 C ATOM 1555 CG1 VAL A 104 -54.291 83.693 1.377 1.00 0.00 C ATOM 1556 CG2 VAL A 104 -54.111 81.253 1.947 1.00 0.00 C ATOM 0 H VAL A 104 -54.876 81.273 4.703 1.00 0.00 H new ATOM 0 HA VAL A 104 -53.120 83.433 3.757 1.00 0.00 H new ATOM 0 HB VAL A 104 -55.686 82.526 2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -54.649 83.384 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -54.787 84.618 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -53.214 83.856 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -54.487 81.042 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -53.021 81.246 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -54.471 80.491 2.638 1.00 0.00 H new ATOM 1566 N PHE A 105 -54.965 85.184 4.108 1.00 0.00 N ATOM 1567 CA PHE A 105 -55.898 86.197 4.461 1.00 0.00 C ATOM 1568 C PHE A 105 -56.355 86.858 3.179 1.00 0.00 C ATOM 1569 O PHE A 105 -55.565 87.538 2.514 1.00 0.00 O ATOM 1570 CB PHE A 105 -55.219 87.235 5.316 1.00 0.00 C ATOM 1571 CG PHE A 105 -54.622 86.716 6.579 1.00 0.00 C ATOM 1572 CD1 PHE A 105 -55.423 86.327 7.630 1.00 0.00 C ATOM 1573 CD2 PHE A 105 -53.250 86.629 6.716 1.00 0.00 C ATOM 1574 CE1 PHE A 105 -54.871 85.860 8.795 1.00 0.00 C ATOM 1575 CE2 PHE A 105 -52.693 86.161 7.877 1.00 0.00 C ATOM 1576 CZ PHE A 105 -53.501 85.776 8.917 1.00 0.00 C ATOM 0 H PHE A 105 -54.126 85.542 3.651 1.00 0.00 H new ATOM 0 HA PHE A 105 -56.735 85.767 5.010 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -54.434 87.711 4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -55.944 88.010 5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -56.497 86.391 7.535 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -52.611 86.933 5.900 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -55.508 85.559 9.614 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -51.619 86.095 7.973 1.00 0.00 H new ATOM 0 HZ PHE A 105 -53.063 85.407 9.832 1.00 0.00 H new ATOM 1586 N LYS A 106 -57.549 86.582 2.783 1.00 0.00 N ATOM 1587 CA LYS A 106 -58.121 87.210 1.624 1.00 0.00 C ATOM 1588 C LYS A 106 -58.822 88.474 2.077 1.00 0.00 C ATOM 1589 O LYS A 106 -59.997 88.394 2.490 1.00 0.00 O ATOM 1590 CB LYS A 106 -59.125 86.287 0.929 1.00 0.00 C ATOM 1591 CG LYS A 106 -58.566 84.963 0.439 1.00 0.00 C ATOM 1592 CD LYS A 106 -59.656 84.141 -0.241 1.00 0.00 C ATOM 1593 CE LYS A 106 -59.117 82.871 -0.887 1.00 0.00 C ATOM 1594 NZ LYS A 106 -58.289 83.136 -2.084 1.00 0.00 N1+ ATOM 1595 OXT LYS A 106 -58.196 89.549 2.073 1.00 0.00 O ATOM 0 H LYS A 106 -58.164 85.915 3.248 1.00 0.00 H new ATOM 0 HA LYS A 106 -57.330 87.436 0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -59.943 86.083 1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -59.552 86.818 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -57.749 85.143 -0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -58.151 84.404 1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -60.417 83.876 0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -60.145 84.751 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -58.523 82.322 -0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -59.953 82.229 -1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -58.022 82.234 -2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -58.832 83.708 -2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -57.430 83.652 -1.805 1.00 0.00 H new