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 19 THR OG1 : rot 180:sc= 0.749 USER MOD Set 1.2: A 66 GLN : amide:sc= 1.25 K(o=2,f=-3.5!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -132:sc= 0.86 (180deg=-0.131) USER MOD Single : A 25 ASN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.11! C(o=-2.1!,f=-5.9!) 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 -62:sc= 0.375 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.403 F(o=-2.1,f=-0.4) USER MOD Single : A 57 THR OG1 : rot 42:sc= 0.0511 USER MOD Single : A 60 TYR OH : rot -2:sc= 0.896 USER MOD Single : A 64 CYS SG : rot -1:sc= -0.126 USER MOD Single : A 69 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.5!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -160:sc= -0.64 USER MOD Single : A 88 THR OG1 : rot -91:sc= 0.0484 USER MOD Single : A 89 CYS SG : rot -93:sc= -1.12! USER MOD Single : A 90 GLN : amide:sc=-0.00297 X(o=-0.003,f=-0.26) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.0399 F(o=-1.8,f=-0.04) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 283 N THR A 19 -55.710 92.549 25.419 1.00 0.00 N ATOM 284 CA THR A 19 -55.794 91.999 24.103 1.00 0.00 C ATOM 285 C THR A 19 -55.933 93.135 23.092 1.00 0.00 C ATOM 286 O THR A 19 -56.801 94.007 23.251 1.00 0.00 O ATOM 287 CB THR A 19 -57.025 91.065 24.008 1.00 0.00 C ATOM 288 OG1 THR A 19 -56.936 90.033 25.018 1.00 0.00 O ATOM 289 CG2 THR A 19 -57.139 90.429 22.629 1.00 0.00 C ATOM 0 HA THR A 19 -54.892 91.426 23.888 1.00 0.00 H new ATOM 0 HB THR A 19 -57.918 91.668 24.175 1.00 0.00 H new ATOM 0 HG1 THR A 19 -57.718 89.445 24.955 1.00 0.00 H new ATOM 0 HG21 THR A 19 -58.014 89.780 22.599 1.00 0.00 H new ATOM 0 HG22 THR A 19 -57.240 91.210 21.875 1.00 0.00 H new ATOM 0 HG23 THR A 19 -56.244 89.841 22.424 1.00 0.00 H new ATOM 297 N TRP A 20 -55.055 93.161 22.104 1.00 0.00 N ATOM 298 CA TRP A 20 -55.148 94.133 21.038 1.00 0.00 C ATOM 299 C TRP A 20 -56.024 93.560 19.969 1.00 0.00 C ATOM 300 O TRP A 20 -55.955 92.375 19.710 1.00 0.00 O ATOM 301 CB TRP A 20 -53.770 94.456 20.463 1.00 0.00 C ATOM 302 CG TRP A 20 -52.882 95.192 21.406 1.00 0.00 C ATOM 303 CD1 TRP A 20 -51.984 94.664 22.286 1.00 0.00 C ATOM 304 CD2 TRP A 20 -52.815 96.603 21.565 1.00 0.00 C ATOM 305 NE1 TRP A 20 -51.367 95.672 22.980 1.00 0.00 N ATOM 306 CE2 TRP A 20 -51.859 96.868 22.555 1.00 0.00 C ATOM 307 CE3 TRP A 20 -53.473 97.672 20.964 1.00 0.00 C ATOM 308 CZ2 TRP A 20 -51.547 98.151 22.958 1.00 0.00 C ATOM 309 CZ3 TRP A 20 -53.161 98.946 21.365 1.00 0.00 C ATOM 310 CH2 TRP A 20 -52.206 99.178 22.355 1.00 0.00 C ATOM 0 H TRP A 20 -54.269 92.516 22.021 1.00 0.00 H new ATOM 0 HA TRP A 20 -55.567 95.061 21.427 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -53.282 93.526 20.170 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -53.895 95.050 19.558 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -51.788 93.610 22.416 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -50.654 95.546 23.699 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -54.214 97.502 20.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -50.807 98.333 23.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -53.664 99.785 20.906 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -51.985 100.193 22.649 1.00 0.00 H new ATOM 321 N TYR A 21 -56.857 94.361 19.388 1.00 0.00 N ATOM 322 CA TYR A 21 -57.765 93.903 18.363 1.00 0.00 C ATOM 323 C TYR A 21 -58.004 94.981 17.332 1.00 0.00 C ATOM 324 O TYR A 21 -57.838 96.180 17.620 1.00 0.00 O ATOM 325 CB TYR A 21 -59.111 93.455 18.984 1.00 0.00 C ATOM 326 CG TYR A 21 -59.752 94.506 19.869 1.00 0.00 C ATOM 327 CD1 TYR A 21 -59.487 94.533 21.226 1.00 0.00 C ATOM 328 CD2 TYR A 21 -60.592 95.486 19.347 1.00 0.00 C ATOM 329 CE1 TYR A 21 -60.028 95.495 22.034 1.00 0.00 C ATOM 330 CE2 TYR A 21 -61.145 96.454 20.162 1.00 0.00 C ATOM 331 CZ TYR A 21 -60.854 96.451 21.505 1.00 0.00 C ATOM 332 OH TYR A 21 -61.377 97.421 22.329 1.00 0.00 O ATOM 0 H TYR A 21 -56.935 95.355 19.604 1.00 0.00 H new ATOM 0 HA TYR A 21 -57.305 93.047 17.869 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -59.803 93.196 18.182 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -58.948 92.550 19.569 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -58.841 93.781 21.655 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -60.814 95.489 18.290 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -59.804 95.501 23.090 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -61.800 97.206 19.748 1.00 0.00 H new ATOM 0 HH TYR A 21 -61.942 98.026 21.804 1.00 0.00 H new ATOM 342 N LYS A 22 -58.354 94.560 16.147 1.00 0.00 N ATOM 343 CA LYS A 22 -58.736 95.447 15.088 1.00 0.00 C ATOM 344 C LYS A 22 -59.836 94.757 14.276 1.00 0.00 C ATOM 345 O LYS A 22 -59.827 93.526 14.139 1.00 0.00 O ATOM 346 CB LYS A 22 -57.549 95.801 14.156 1.00 0.00 C ATOM 347 CG LYS A 22 -57.097 94.660 13.270 1.00 0.00 C ATOM 348 CD LYS A 22 -56.052 95.092 12.262 1.00 0.00 C ATOM 349 CE LYS A 22 -55.766 93.966 11.279 1.00 0.00 C ATOM 350 NZ LYS A 22 -54.828 94.358 10.197 1.00 0.00 N1+ ATOM 0 H LYS A 22 -58.381 93.574 15.888 1.00 0.00 H new ATOM 0 HA LYS A 22 -59.085 96.383 15.525 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -57.834 96.644 13.527 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -56.707 96.129 14.766 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -56.691 93.861 13.890 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -57.958 94.249 12.743 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -56.399 95.974 11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -55.134 95.375 12.778 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -55.351 93.116 11.821 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -56.704 93.633 10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -55.215 94.062 9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -54.702 95.390 10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -53.909 93.896 10.350 1.00 0.00 H new ATOM 364 N PRO A 23 -60.783 95.512 13.755 1.00 0.00 N ATOM 365 CA PRO A 23 -61.850 94.973 12.934 1.00 0.00 C ATOM 366 C PRO A 23 -61.372 94.757 11.494 1.00 0.00 C ATOM 367 O PRO A 23 -60.949 95.707 10.802 1.00 0.00 O ATOM 368 CB PRO A 23 -62.917 96.063 12.991 1.00 0.00 C ATOM 369 CG PRO A 23 -62.155 97.331 13.178 1.00 0.00 C ATOM 370 CD PRO A 23 -60.883 96.965 13.907 1.00 0.00 C ATOM 0 HA PRO A 23 -62.208 94.003 13.279 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -63.507 96.087 12.075 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -63.612 95.894 13.814 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -61.932 97.794 12.217 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -62.737 98.052 13.752 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -60.018 97.470 13.476 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -60.930 97.253 14.957 1.00 0.00 H new ATOM 378 N GLU A 24 -61.421 93.544 11.041 1.00 0.00 N ATOM 379 CA GLU A 24 -60.970 93.228 9.722 1.00 0.00 C ATOM 380 C GLU A 24 -61.830 92.119 9.159 1.00 0.00 C ATOM 381 O GLU A 24 -61.936 91.059 9.745 1.00 0.00 O ATOM 382 CB GLU A 24 -59.493 92.812 9.786 1.00 0.00 C ATOM 383 CG GLU A 24 -58.861 92.476 8.440 1.00 0.00 C ATOM 384 CD GLU A 24 -57.375 92.227 8.534 1.00 0.00 C ATOM 385 OE1 GLU A 24 -56.583 93.174 8.328 1.00 0.00 O ATOM 386 OE2 GLU A 24 -56.951 91.095 8.816 1.00 0.00 O1- ATOM 0 H GLU A 24 -61.773 92.748 11.572 1.00 0.00 H new ATOM 0 HA GLU A 24 -61.056 94.095 9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -58.923 93.619 10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -59.403 91.944 10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -59.347 91.592 8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -59.044 93.295 7.744 1.00 0.00 H new ATOM 393 N ASN A 25 -62.426 92.370 8.032 1.00 0.00 N ATOM 394 CA ASN A 25 -63.279 91.400 7.388 1.00 0.00 C ATOM 395 C ASN A 25 -62.502 90.712 6.309 1.00 0.00 C ATOM 396 O ASN A 25 -62.167 91.334 5.289 1.00 0.00 O ATOM 397 CB ASN A 25 -64.530 92.079 6.793 1.00 0.00 C ATOM 398 CG ASN A 25 -65.434 91.110 6.031 1.00 0.00 C ATOM 399 OD1 ASN A 25 -66.302 90.481 6.610 1.00 0.00 O ATOM 400 ND2 ASN A 25 -65.254 91.012 4.732 1.00 0.00 N ATOM 0 H ASN A 25 -62.338 93.252 7.528 1.00 0.00 H new ATOM 0 HA ASN A 25 -63.613 90.671 8.126 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -65.101 92.543 7.597 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -64.217 92.879 6.122 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -65.850 90.396 4.180 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -64.518 91.552 4.277 1.00 0.00 H new ATOM 407 N ALA A 26 -62.185 89.466 6.525 1.00 0.00 N ATOM 408 CA ALA A 26 -61.421 88.719 5.546 1.00 0.00 C ATOM 409 C ALA A 26 -61.653 87.240 5.675 1.00 0.00 C ATOM 410 O ALA A 26 -62.173 86.760 6.699 1.00 0.00 O ATOM 411 CB ALA A 26 -59.928 89.035 5.635 1.00 0.00 C ATOM 0 H ALA A 26 -62.439 88.942 7.363 1.00 0.00 H new ATOM 0 HA ALA A 26 -61.775 89.033 4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -59.388 88.456 4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -59.770 90.098 5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -59.560 88.776 6.628 1.00 0.00 H new ATOM 417 N THR A 27 -61.297 86.527 4.643 1.00 0.00 N ATOM 418 CA THR A 27 -61.395 85.112 4.624 1.00 0.00 C ATOM 419 C THR A 27 -60.030 84.490 4.891 1.00 0.00 C ATOM 420 O THR A 27 -59.080 84.699 4.147 1.00 0.00 O ATOM 421 CB THR A 27 -61.959 84.630 3.270 1.00 0.00 C ATOM 422 OG1 THR A 27 -63.313 85.094 3.113 1.00 0.00 O ATOM 423 CG2 THR A 27 -61.891 83.111 3.124 1.00 0.00 C ATOM 0 H THR A 27 -60.926 86.929 3.782 1.00 0.00 H new ATOM 0 HA THR A 27 -62.080 84.795 5.410 1.00 0.00 H new ATOM 0 HB THR A 27 -61.337 85.052 2.481 1.00 0.00 H new ATOM 0 HG1 THR A 27 -63.666 84.787 2.252 1.00 0.00 H new ATOM 0 HG21 THR A 27 -62.299 82.820 2.156 1.00 0.00 H new ATOM 0 HG22 THR A 27 -60.853 82.785 3.193 1.00 0.00 H new ATOM 0 HG23 THR A 27 -62.472 82.643 3.918 1.00 0.00 H new ATOM 431 N PHE A 28 -59.953 83.738 5.932 1.00 0.00 N ATOM 432 CA PHE A 28 -58.769 83.053 6.297 1.00 0.00 C ATOM 433 C PHE A 28 -58.879 81.633 5.827 1.00 0.00 C ATOM 434 O PHE A 28 -59.750 80.882 6.260 1.00 0.00 O ATOM 435 CB PHE A 28 -58.536 83.102 7.817 1.00 0.00 C ATOM 436 CG PHE A 28 -57.414 82.211 8.295 1.00 0.00 C ATOM 437 CD1 PHE A 28 -57.690 81.043 8.995 1.00 0.00 C ATOM 438 CD2 PHE A 28 -56.095 82.526 8.029 1.00 0.00 C ATOM 439 CE1 PHE A 28 -56.675 80.215 9.416 1.00 0.00 C ATOM 440 CE2 PHE A 28 -55.074 81.700 8.453 1.00 0.00 C ATOM 441 CZ PHE A 28 -55.365 80.541 9.146 1.00 0.00 C ATOM 0 H PHE A 28 -60.734 83.580 6.569 1.00 0.00 H new ATOM 0 HA PHE A 28 -57.914 83.539 5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -58.319 84.130 8.108 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -59.456 82.814 8.325 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -58.715 80.781 9.212 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -55.861 83.428 7.484 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -56.906 79.310 9.958 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -54.047 81.960 8.243 1.00 0.00 H new ATOM 0 HZ PHE A 28 -54.567 79.892 9.475 1.00 0.00 H new ATOM 451 N VAL A 29 -58.053 81.291 4.910 1.00 0.00 N ATOM 452 CA VAL A 29 -57.995 79.956 4.416 1.00 0.00 C ATOM 453 C VAL A 29 -56.809 79.325 5.072 1.00 0.00 C ATOM 454 O VAL A 29 -55.684 79.717 4.788 1.00 0.00 O ATOM 455 CB VAL A 29 -57.812 79.910 2.878 1.00 0.00 C ATOM 456 CG1 VAL A 29 -57.864 78.477 2.361 1.00 0.00 C ATOM 457 CG2 VAL A 29 -58.842 80.782 2.174 1.00 0.00 C ATOM 0 H VAL A 29 -57.390 81.931 4.473 1.00 0.00 H new ATOM 0 HA VAL A 29 -58.927 79.436 4.638 1.00 0.00 H new ATOM 0 HB VAL A 29 -56.825 80.312 2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -57.733 78.476 1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -57.068 77.894 2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -58.829 78.035 2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -58.688 80.729 1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -59.844 80.428 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -58.732 81.814 2.506 1.00 0.00 H new ATOM 467 N ASN A 30 -57.050 78.412 5.979 1.00 0.00 N ATOM 468 CA ASN A 30 -55.968 77.775 6.716 1.00 0.00 C ATOM 469 C ASN A 30 -55.047 77.023 5.758 1.00 0.00 C ATOM 470 O ASN A 30 -55.488 76.553 4.701 1.00 0.00 O ATOM 471 CB ASN A 30 -56.509 76.865 7.837 1.00 0.00 C ATOM 472 CG ASN A 30 -55.412 76.269 8.678 1.00 0.00 C ATOM 473 OD1 ASN A 30 -54.345 76.831 8.817 1.00 0.00 O ATOM 474 ND2 ASN A 30 -55.679 75.149 9.261 1.00 0.00 N ATOM 0 H ASN A 30 -57.984 78.087 6.231 1.00 0.00 H new ATOM 0 HA ASN A 30 -55.378 78.550 7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -57.179 77.440 8.475 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -57.100 76.063 7.395 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -54.982 74.708 9.861 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -56.587 74.705 9.121 1.00 0.00 H new ATOM 481 N GLY A 31 -53.797 76.939 6.102 1.00 0.00 N ATOM 482 CA GLY A 31 -52.825 76.356 5.242 1.00 0.00 C ATOM 483 C GLY A 31 -52.662 74.869 5.411 1.00 0.00 C ATOM 484 O GLY A 31 -53.628 74.119 5.373 1.00 0.00 O ATOM 0 H GLY A 31 -53.427 77.275 6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -53.100 76.565 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -51.864 76.838 5.420 1.00 0.00 H new ATOM 488 N ASN A 32 -51.439 74.460 5.630 1.00 0.00 N ATOM 489 CA ASN A 32 -51.071 73.052 5.669 1.00 0.00 C ATOM 490 C ASN A 32 -51.183 72.457 7.071 1.00 0.00 C ATOM 491 O ASN A 32 -51.346 71.246 7.230 1.00 0.00 O ATOM 492 CB ASN A 32 -49.657 72.869 5.071 1.00 0.00 C ATOM 493 CG ASN A 32 -49.134 71.438 5.111 1.00 0.00 C ATOM 494 OD1 ASN A 32 -49.401 70.636 4.214 1.00 0.00 O ATOM 495 ND2 ASN A 32 -48.331 71.126 6.099 1.00 0.00 N ATOM 0 H ASN A 32 -50.656 75.095 5.789 1.00 0.00 H new ATOM 0 HA ASN A 32 -51.783 72.496 5.059 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -49.667 73.210 4.036 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -48.962 73.512 5.611 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -47.909 70.198 6.139 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -48.129 71.811 6.827 1.00 0.00 H new ATOM 502 N GLN A 33 -51.142 73.292 8.076 1.00 0.00 N ATOM 503 CA GLN A 33 -51.252 72.807 9.436 1.00 0.00 C ATOM 504 C GLN A 33 -52.628 73.116 10.012 1.00 0.00 C ATOM 505 O GLN A 33 -53.156 74.189 9.798 1.00 0.00 O ATOM 506 CB GLN A 33 -50.179 73.406 10.352 1.00 0.00 C ATOM 507 CG GLN A 33 -50.090 74.925 10.303 1.00 0.00 C ATOM 508 CD GLN A 33 -49.517 75.522 11.561 1.00 0.00 C ATOM 509 OE1 GLN A 33 -48.313 75.687 11.710 1.00 0.00 O ATOM 510 NE2 GLN A 33 -50.379 75.877 12.461 1.00 0.00 N ATOM 0 H GLN A 33 -51.034 74.302 7.986 1.00 0.00 H new ATOM 0 HA GLN A 33 -51.104 71.728 9.394 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -50.381 73.099 11.378 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -49.210 72.988 10.079 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -49.473 75.220 9.454 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -51.085 75.336 10.133 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -51.375 75.724 12.302 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -50.062 76.310 13.328 1.00 0.00 H new ATOM 519 N PRO A 34 -53.242 72.169 10.726 1.00 0.00 N ATOM 520 CA PRO A 34 -54.499 72.413 11.420 1.00 0.00 C ATOM 521 C PRO A 34 -54.243 73.311 12.628 1.00 0.00 C ATOM 522 O PRO A 34 -53.159 73.255 13.229 1.00 0.00 O ATOM 523 CB PRO A 34 -54.941 71.019 11.860 1.00 0.00 C ATOM 524 CG PRO A 34 -53.670 70.255 11.986 1.00 0.00 C ATOM 525 CD PRO A 34 -52.766 70.794 10.914 1.00 0.00 C ATOM 0 HA PRO A 34 -55.251 72.912 10.809 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -55.481 71.053 12.806 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -55.608 70.564 11.128 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -53.229 70.388 12.974 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -53.840 69.186 11.854 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -51.720 70.769 11.221 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -52.842 70.213 9.995 1.00 0.00 H new ATOM 533 N ILE A 35 -55.191 74.136 12.984 1.00 0.00 N ATOM 534 CA ILE A 35 -54.943 75.089 14.045 1.00 0.00 C ATOM 535 C ILE A 35 -55.925 74.893 15.200 1.00 0.00 C ATOM 536 O ILE A 35 -57.101 74.688 14.978 1.00 0.00 O ATOM 537 CB ILE A 35 -55.039 76.551 13.551 1.00 0.00 C ATOM 538 CG1 ILE A 35 -54.475 76.701 12.111 1.00 0.00 C ATOM 539 CG2 ILE A 35 -54.290 77.454 14.519 1.00 0.00 C ATOM 540 CD1 ILE A 35 -54.168 78.125 11.693 1.00 0.00 C ATOM 0 H ILE A 35 -56.122 74.173 12.570 1.00 0.00 H new ATOM 0 HA ILE A 35 -53.926 74.904 14.390 1.00 0.00 H new ATOM 0 HB ILE A 35 -56.089 76.843 13.518 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -53.563 76.109 12.030 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -55.193 76.278 11.409 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -54.354 78.487 14.176 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -54.735 77.373 15.511 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -53.244 77.151 14.564 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -53.780 78.130 10.675 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -55.079 78.721 11.737 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -53.424 78.550 12.367 1.00 0.00 H new ATOM 552 N VAL A 36 -55.432 74.939 16.415 1.00 0.00 N ATOM 553 CA VAL A 36 -56.278 74.791 17.599 1.00 0.00 C ATOM 554 C VAL A 36 -56.996 76.121 17.880 1.00 0.00 C ATOM 555 O VAL A 36 -56.352 77.139 18.157 1.00 0.00 O ATOM 556 CB VAL A 36 -55.434 74.386 18.842 1.00 0.00 C ATOM 557 CG1 VAL A 36 -56.299 74.243 20.078 1.00 0.00 C ATOM 558 CG2 VAL A 36 -54.689 73.098 18.583 1.00 0.00 C ATOM 0 H VAL A 36 -54.443 75.078 16.621 1.00 0.00 H new ATOM 0 HA VAL A 36 -57.007 74.004 17.407 1.00 0.00 H new ATOM 0 HB VAL A 36 -54.714 75.184 19.022 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -55.677 73.959 20.927 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -56.791 75.192 20.290 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -57.053 73.474 19.908 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -54.105 72.832 19.464 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -55.402 72.302 18.367 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -54.022 73.229 17.731 1.00 0.00 H new ATOM 568 N THR A 37 -58.296 76.112 17.801 1.00 0.00 N ATOM 569 CA THR A 37 -59.082 77.304 17.967 1.00 0.00 C ATOM 570 C THR A 37 -59.494 77.481 19.440 1.00 0.00 C ATOM 571 O THR A 37 -59.515 76.505 20.208 1.00 0.00 O ATOM 572 CB THR A 37 -60.326 77.222 17.067 1.00 0.00 C ATOM 573 OG1 THR A 37 -61.128 76.103 17.463 1.00 0.00 O ATOM 574 CG2 THR A 37 -59.915 77.031 15.613 1.00 0.00 C ATOM 0 H THR A 37 -58.845 75.272 17.618 1.00 0.00 H new ATOM 0 HA THR A 37 -58.485 78.169 17.679 1.00 0.00 H new ATOM 0 HB THR A 37 -60.890 78.149 17.168 1.00 0.00 H new ATOM 0 HG1 THR A 37 -60.616 75.276 17.346 1.00 0.00 H new ATOM 0 HG21 THR A 37 -60.806 76.975 14.987 1.00 0.00 H new ATOM 0 HG22 THR A 37 -59.301 77.873 15.295 1.00 0.00 H new ATOM 0 HG23 THR A 37 -59.344 76.108 15.515 1.00 0.00 H new ATOM 582 N ARG A 38 -59.798 78.704 19.837 1.00 0.00 N ATOM 583 CA ARG A 38 -60.178 79.016 21.215 1.00 0.00 C ATOM 584 C ARG A 38 -61.518 79.700 21.224 1.00 0.00 C ATOM 585 O ARG A 38 -61.869 80.358 20.264 1.00 0.00 O ATOM 586 CB ARG A 38 -59.140 79.926 21.859 1.00 0.00 C ATOM 587 CG ARG A 38 -57.737 79.383 21.789 1.00 0.00 C ATOM 588 CD ARG A 38 -57.578 78.101 22.558 1.00 0.00 C ATOM 589 NE ARG A 38 -56.258 77.529 22.340 1.00 0.00 N ATOM 590 CZ ARG A 38 -55.641 76.700 23.155 1.00 0.00 C ATOM 591 NH1 ARG A 38 -56.164 76.416 24.343 1.00 0.00 N1+ ATOM 592 NH2 ARG A 38 -54.481 76.179 22.790 1.00 0.00 N ATOM 0 H ARG A 38 -59.790 79.514 19.217 1.00 0.00 H new ATOM 0 HA ARG A 38 -60.234 78.087 21.783 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -59.169 80.900 21.370 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -59.407 80.086 22.904 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -57.468 79.214 20.746 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -57.043 80.127 22.181 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -57.727 78.288 23.621 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -58.343 77.389 22.249 1.00 0.00 H new ATOM 0 HE ARG A 38 -55.770 77.793 21.484 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -57.047 76.841 24.626 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -55.683 75.773 24.972 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -54.075 76.421 21.886 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -53.993 75.535 23.412 1.00 0.00 H new ATOM 606 N ILE A 39 -62.255 79.556 22.293 1.00 0.00 N ATOM 607 CA ILE A 39 -63.588 80.111 22.353 1.00 0.00 C ATOM 608 C ILE A 39 -63.754 81.197 23.419 1.00 0.00 C ATOM 609 O ILE A 39 -63.221 81.095 24.529 1.00 0.00 O ATOM 610 CB ILE A 39 -64.662 78.992 22.500 1.00 0.00 C ATOM 611 CG1 ILE A 39 -64.632 78.115 21.246 1.00 0.00 C ATOM 612 CG2 ILE A 39 -66.055 79.566 22.737 1.00 0.00 C ATOM 613 CD1 ILE A 39 -65.746 77.108 21.139 1.00 0.00 C ATOM 0 H ILE A 39 -61.959 79.061 23.134 1.00 0.00 H new ATOM 0 HA ILE A 39 -63.747 80.612 21.398 1.00 0.00 H new ATOM 0 HB ILE A 39 -64.426 78.389 23.377 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -64.664 78.762 20.369 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -63.680 77.584 21.216 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -66.773 78.751 22.834 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -66.053 80.159 23.652 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -66.336 80.199 21.895 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -65.634 76.538 20.217 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -65.707 76.430 21.992 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -66.705 77.626 21.131 1.00 0.00 H new ATOM 625 N GLY A 40 -64.437 82.272 23.029 1.00 0.00 N ATOM 626 CA GLY A 40 -64.797 83.366 23.910 1.00 0.00 C ATOM 627 C GLY A 40 -63.724 84.405 24.016 1.00 0.00 C ATOM 628 O GLY A 40 -63.966 85.604 23.885 1.00 0.00 O ATOM 0 H GLY A 40 -64.759 82.403 22.070 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -65.713 83.832 23.547 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -65.013 82.971 24.903 1.00 0.00 H new ATOM 632 N SER A 41 -62.556 83.927 24.188 1.00 0.00 N ATOM 633 CA SER A 41 -61.381 84.723 24.457 1.00 0.00 C ATOM 634 C SER A 41 -60.182 84.195 23.651 1.00 0.00 C ATOM 635 O SER A 41 -60.070 82.984 23.435 1.00 0.00 O ATOM 636 CB SER A 41 -61.075 84.672 25.956 1.00 0.00 C ATOM 637 OG SER A 41 -62.182 85.118 26.729 1.00 0.00 O ATOM 0 H SER A 41 -62.361 82.927 24.147 1.00 0.00 H new ATOM 0 HA SER A 41 -61.566 85.755 24.158 1.00 0.00 H new ATOM 0 HB2 SER A 41 -60.818 83.652 26.241 1.00 0.00 H new ATOM 0 HB3 SER A 41 -60.205 85.292 26.172 1.00 0.00 H new ATOM 0 HG SER A 41 -61.956 85.072 27.681 1.00 0.00 H new ATOM 643 N PRO A 42 -59.292 85.079 23.171 1.00 0.00 N ATOM 644 CA PRO A 42 -58.117 84.672 22.426 1.00 0.00 C ATOM 645 C PRO A 42 -56.912 84.407 23.334 1.00 0.00 C ATOM 646 O PRO A 42 -56.057 85.261 23.509 1.00 0.00 O ATOM 647 CB PRO A 42 -57.846 85.869 21.515 1.00 0.00 C ATOM 648 CG PRO A 42 -58.427 87.057 22.229 1.00 0.00 C ATOM 649 CD PRO A 42 -59.369 86.545 23.296 1.00 0.00 C ATOM 0 HA PRO A 42 -58.278 83.737 21.890 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -56.777 85.998 21.344 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -58.311 85.732 20.539 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -57.635 87.658 22.676 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -58.959 87.701 21.528 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -59.065 86.877 24.289 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -60.385 86.906 23.137 1.00 0.00 H new ATOM 657 N PHE A 43 -56.882 83.251 23.948 1.00 0.00 N ATOM 658 CA PHE A 43 -55.781 82.877 24.821 1.00 0.00 C ATOM 659 C PHE A 43 -55.505 81.414 24.654 1.00 0.00 C ATOM 660 O PHE A 43 -56.401 80.647 24.329 1.00 0.00 O ATOM 661 CB PHE A 43 -56.112 83.106 26.310 1.00 0.00 C ATOM 662 CG PHE A 43 -56.393 84.523 26.731 1.00 0.00 C ATOM 663 CD1 PHE A 43 -57.679 85.019 26.722 1.00 0.00 C ATOM 664 CD2 PHE A 43 -55.370 85.347 27.153 1.00 0.00 C ATOM 665 CE1 PHE A 43 -57.944 86.315 27.122 1.00 0.00 C ATOM 666 CE2 PHE A 43 -55.626 86.643 27.553 1.00 0.00 C ATOM 667 CZ PHE A 43 -56.915 87.127 27.538 1.00 0.00 C ATOM 0 H PHE A 43 -57.611 82.542 23.863 1.00 0.00 H new ATOM 0 HA PHE A 43 -54.927 83.496 24.546 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -56.980 82.498 26.563 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -55.278 82.734 26.905 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -58.491 84.386 26.398 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -54.357 84.973 27.171 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -58.957 86.689 27.108 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -54.815 87.278 27.878 1.00 0.00 H new ATOM 0 HZ PHE A 43 -57.117 88.140 27.852 1.00 0.00 H new ATOM 677 N LEU A 44 -54.290 81.018 24.924 1.00 0.00 N ATOM 678 CA LEU A 44 -53.905 79.614 24.914 1.00 0.00 C ATOM 679 C LEU A 44 -54.424 78.953 26.189 1.00 0.00 C ATOM 680 O LEU A 44 -54.431 77.735 26.335 1.00 0.00 O ATOM 681 CB LEU A 44 -52.387 79.486 24.834 1.00 0.00 C ATOM 682 CG LEU A 44 -51.736 80.108 23.598 1.00 0.00 C ATOM 683 CD1 LEU A 44 -50.235 79.996 23.689 1.00 0.00 C ATOM 684 CD2 LEU A 44 -52.238 79.432 22.333 1.00 0.00 C ATOM 0 H LEU A 44 -53.529 81.655 25.159 1.00 0.00 H new ATOM 0 HA LEU A 44 -54.336 79.120 24.043 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -51.954 79.947 25.722 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -52.127 78.428 24.866 1.00 0.00 H new ATOM 0 HG LEU A 44 -52.009 81.163 23.557 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -49.782 80.442 22.803 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -49.884 80.519 24.579 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -49.952 78.945 23.751 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -51.764 79.888 21.464 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -51.992 78.371 22.365 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -53.319 79.552 22.261 1.00 0.00 H new ATOM 696 N ASN A 45 -54.831 79.795 27.115 1.00 0.00 N ATOM 697 CA ASN A 45 -55.403 79.373 28.378 1.00 0.00 C ATOM 698 C ASN A 45 -56.928 79.266 28.247 1.00 0.00 C ATOM 699 O ASN A 45 -57.610 78.756 29.130 1.00 0.00 O ATOM 700 CB ASN A 45 -55.022 80.392 29.470 1.00 0.00 C ATOM 701 CG ASN A 45 -55.334 79.922 30.884 1.00 0.00 C ATOM 702 OD1 ASN A 45 -54.507 79.252 31.510 1.00 0.00 O ATOM 703 ND2 ASN A 45 -56.470 80.298 31.414 1.00 0.00 N ATOM 0 H ASN A 45 -54.773 80.808 27.011 1.00 0.00 H new ATOM 0 HA ASN A 45 -55.012 78.394 28.654 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -53.956 80.609 29.396 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -55.551 81.326 29.283 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -56.696 80.038 32.374 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -57.130 80.851 30.867 1.00 0.00 H new ATOM 710 N ALA A 46 -57.449 79.726 27.121 1.00 0.00 N ATOM 711 CA ALA A 46 -58.880 79.719 26.873 1.00 0.00 C ATOM 712 C ALA A 46 -59.315 78.347 26.353 1.00 0.00 C ATOM 713 O ALA A 46 -58.475 77.588 25.808 1.00 0.00 O ATOM 714 CB ALA A 46 -59.251 80.827 25.882 1.00 0.00 C ATOM 0 H ALA A 46 -56.894 80.113 26.357 1.00 0.00 H new ATOM 0 HA ALA A 46 -59.406 79.912 27.808 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -60.326 80.811 25.704 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -58.966 81.795 26.295 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -58.725 80.664 24.941 1.00 0.00 H new ATOM 720 N PRO A 47 -60.612 77.983 26.532 1.00 0.00 N ATOM 721 CA PRO A 47 -61.156 76.702 26.071 1.00 0.00 C ATOM 722 C PRO A 47 -60.977 76.501 24.567 1.00 0.00 C ATOM 723 O PRO A 47 -61.063 77.453 23.774 1.00 0.00 O ATOM 724 CB PRO A 47 -62.650 76.779 26.425 1.00 0.00 C ATOM 725 CG PRO A 47 -62.916 78.222 26.675 1.00 0.00 C ATOM 726 CD PRO A 47 -61.646 78.776 27.229 1.00 0.00 C ATOM 0 HA PRO A 47 -60.643 75.861 26.538 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -63.268 76.400 25.611 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -62.878 76.178 27.305 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -63.198 78.733 25.755 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -63.739 78.353 27.377 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -61.546 79.842 27.023 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -61.589 78.654 28.311 1.00 0.00 H new ATOM 734 N VAL A 48 -60.725 75.277 24.198 1.00 0.00 N ATOM 735 CA VAL A 48 -60.470 74.890 22.839 1.00 0.00 C ATOM 736 C VAL A 48 -61.781 74.704 22.096 1.00 0.00 C ATOM 737 O VAL A 48 -62.698 74.042 22.592 1.00 0.00 O ATOM 738 CB VAL A 48 -59.663 73.562 22.797 1.00 0.00 C ATOM 739 CG1 VAL A 48 -59.401 73.106 21.371 1.00 0.00 C ATOM 740 CG2 VAL A 48 -58.358 73.699 23.561 1.00 0.00 C ATOM 0 H VAL A 48 -60.690 74.497 24.855 1.00 0.00 H new ATOM 0 HA VAL A 48 -59.889 75.678 22.360 1.00 0.00 H new ATOM 0 HB VAL A 48 -60.271 72.798 23.281 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -58.835 72.175 21.385 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -60.350 72.946 20.860 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -58.830 73.870 20.844 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -57.811 72.757 23.518 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -57.756 74.490 23.114 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -58.570 73.948 24.601 1.00 0.00 H new ATOM 750 N GLY A 49 -61.872 75.286 20.937 1.00 0.00 N ATOM 751 CA GLY A 49 -63.048 75.138 20.122 1.00 0.00 C ATOM 752 C GLY A 49 -62.958 73.908 19.268 1.00 0.00 C ATOM 753 O GLY A 49 -63.973 73.307 18.902 1.00 0.00 O ATOM 0 H GLY A 49 -61.143 75.872 20.530 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -63.931 75.080 20.758 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -63.169 76.017 19.489 1.00 0.00 H new ATOM 757 N GLY A 50 -61.747 73.538 18.959 1.00 0.00 N ATOM 758 CA GLY A 50 -61.476 72.390 18.158 1.00 0.00 C ATOM 759 C GLY A 50 -60.244 72.643 17.350 1.00 0.00 C ATOM 760 O GLY A 50 -59.570 73.648 17.558 1.00 0.00 O ATOM 0 H GLY A 50 -60.911 74.037 19.264 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -61.338 71.513 18.791 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -62.321 72.180 17.502 1.00 0.00 H new ATOM 764 N ASN A 51 -59.886 71.736 16.508 1.00 0.00 N ATOM 765 CA ASN A 51 -58.791 71.968 15.597 1.00 0.00 C ATOM 766 C ASN A 51 -59.348 72.261 14.248 1.00 0.00 C ATOM 767 O ASN A 51 -60.042 71.423 13.657 1.00 0.00 O ATOM 768 CB ASN A 51 -57.809 70.788 15.493 1.00 0.00 C ATOM 769 CG ASN A 51 -56.844 70.626 16.656 1.00 0.00 C ATOM 770 OD1 ASN A 51 -57.266 70.936 17.851 1.00 0.00 O flip ATOM 771 ND2 ASN A 51 -55.713 70.174 16.463 1.00 0.00 N flip ATOM 0 H ASN A 51 -60.329 70.821 16.422 1.00 0.00 H new ATOM 0 HA ASN A 51 -58.221 72.809 15.991 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -58.385 69.868 15.393 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -57.229 70.902 14.577 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -55.412 69.941 15.517 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -55.079 70.033 17.250 1.00 0.00 H new ATOM 778 N LEU A 52 -59.079 73.437 13.779 1.00 0.00 N ATOM 779 CA LEU A 52 -59.502 73.878 12.483 1.00 0.00 C ATOM 780 C LEU A 52 -58.740 73.118 11.443 1.00 0.00 C ATOM 781 O LEU A 52 -57.505 73.100 11.473 1.00 0.00 O ATOM 782 CB LEU A 52 -59.224 75.361 12.299 1.00 0.00 C ATOM 783 CG LEU A 52 -59.649 75.928 10.953 1.00 0.00 C ATOM 784 CD1 LEU A 52 -61.147 76.124 10.886 1.00 0.00 C ATOM 785 CD2 LEU A 52 -58.906 77.193 10.621 1.00 0.00 C ATOM 0 H LEU A 52 -58.547 74.136 14.297 1.00 0.00 H new ATOM 0 HA LEU A 52 -60.574 73.704 12.387 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -59.736 75.913 13.088 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -58.156 75.535 12.430 1.00 0.00 H new ATOM 0 HG LEU A 52 -59.382 75.194 10.192 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -61.418 76.530 9.911 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -61.646 75.166 11.031 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -61.459 76.817 11.667 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -59.238 77.566 9.652 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -59.105 77.943 11.386 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -57.836 76.987 10.583 1.00 0.00 H new ATOM 797 N PRO A 53 -59.449 72.450 10.544 1.00 0.00 N ATOM 798 CA PRO A 53 -58.840 71.701 9.486 1.00 0.00 C ATOM 799 C PRO A 53 -57.898 72.534 8.623 1.00 0.00 C ATOM 800 O PRO A 53 -58.144 73.725 8.354 1.00 0.00 O ATOM 801 CB PRO A 53 -59.996 71.190 8.644 1.00 0.00 C ATOM 802 CG PRO A 53 -61.253 71.730 9.225 1.00 0.00 C ATOM 803 CD PRO A 53 -60.919 72.336 10.538 1.00 0.00 C ATOM 0 HA PRO A 53 -58.222 70.905 9.901 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -59.885 71.510 7.608 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -60.014 70.100 8.640 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -61.692 72.474 8.561 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -61.990 70.936 9.346 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -61.391 73.312 10.654 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -61.270 71.713 11.361 1.00 0.00 H new ATOM 811 N ALA A 54 -56.804 71.929 8.234 1.00 0.00 N ATOM 812 CA ALA A 54 -55.862 72.559 7.351 1.00 0.00 C ATOM 813 C ALA A 54 -56.510 72.732 5.978 1.00 0.00 C ATOM 814 O ALA A 54 -56.869 71.751 5.332 1.00 0.00 O ATOM 815 CB ALA A 54 -54.615 71.707 7.259 1.00 0.00 C ATOM 0 H ALA A 54 -56.544 70.986 8.522 1.00 0.00 H new ATOM 0 HA ALA A 54 -55.580 73.540 7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -53.898 72.182 6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -54.172 71.602 8.249 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -54.875 70.722 6.872 1.00 0.00 H new ATOM 821 N GLY A 55 -56.681 73.954 5.555 1.00 0.00 N ATOM 822 CA GLY A 55 -57.330 74.214 4.287 1.00 0.00 C ATOM 823 C GLY A 55 -58.754 74.718 4.439 1.00 0.00 C ATOM 824 O GLY A 55 -59.426 74.995 3.440 1.00 0.00 O ATOM 0 H GLY A 55 -56.383 74.787 6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -56.748 74.950 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -57.336 73.299 3.694 1.00 0.00 H new ATOM 828 N ALA A 56 -59.213 74.856 5.676 1.00 0.00 N ATOM 829 CA ALA A 56 -60.572 75.326 5.952 1.00 0.00 C ATOM 830 C ALA A 56 -60.723 76.808 5.648 1.00 0.00 C ATOM 831 O ALA A 56 -59.762 77.577 5.775 1.00 0.00 O ATOM 832 CB ALA A 56 -60.938 75.057 7.390 1.00 0.00 C ATOM 0 H ALA A 56 -58.664 74.649 6.510 1.00 0.00 H new ATOM 0 HA ALA A 56 -61.250 74.776 5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -61.951 75.412 7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -60.886 73.986 7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -60.242 75.579 8.046 1.00 0.00 H new ATOM 838 N THR A 57 -61.916 77.202 5.261 1.00 0.00 N ATOM 839 CA THR A 57 -62.195 78.570 4.913 1.00 0.00 C ATOM 840 C THR A 57 -62.990 79.288 6.016 1.00 0.00 C ATOM 841 O THR A 57 -64.174 79.001 6.255 1.00 0.00 O ATOM 842 CB THR A 57 -62.925 78.646 3.553 1.00 0.00 C ATOM 843 OG1 THR A 57 -64.031 77.712 3.533 1.00 0.00 O ATOM 844 CG2 THR A 57 -61.972 78.323 2.412 1.00 0.00 C ATOM 0 H THR A 57 -62.719 76.578 5.180 1.00 0.00 H new ATOM 0 HA THR A 57 -61.242 79.091 4.818 1.00 0.00 H new ATOM 0 HB THR A 57 -63.300 79.661 3.423 1.00 0.00 H new ATOM 0 HG1 THR A 57 -64.499 77.741 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 57 -62.506 78.382 1.464 1.00 0.00 H new ATOM 0 HG22 THR A 57 -61.150 79.039 2.411 1.00 0.00 H new ATOM 0 HG23 THR A 57 -61.576 77.316 2.543 1.00 0.00 H new ATOM 852 N ILE A 58 -62.326 80.183 6.689 1.00 0.00 N ATOM 853 CA ILE A 58 -62.885 80.948 7.779 1.00 0.00 C ATOM 854 C ILE A 58 -63.166 82.369 7.353 1.00 0.00 C ATOM 855 O ILE A 58 -62.341 83.000 6.741 1.00 0.00 O ATOM 856 CB ILE A 58 -61.882 80.992 8.971 1.00 0.00 C ATOM 857 CG1 ILE A 58 -61.768 79.633 9.648 1.00 0.00 C ATOM 858 CG2 ILE A 58 -62.249 82.077 9.985 1.00 0.00 C ATOM 859 CD1 ILE A 58 -63.008 79.236 10.411 1.00 0.00 C ATOM 0 H ILE A 58 -61.351 80.411 6.493 1.00 0.00 H new ATOM 0 HA ILE A 58 -63.815 80.464 8.078 1.00 0.00 H new ATOM 0 HB ILE A 58 -60.906 81.247 8.558 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -61.558 78.876 8.893 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -60.919 79.646 10.331 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -61.525 82.074 10.800 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -62.240 83.051 9.495 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -63.244 81.881 10.384 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -62.857 78.258 10.868 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -63.208 79.973 11.189 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -63.856 79.190 9.728 1.00 0.00 H new ATOM 871 N VAL A 59 -64.315 82.853 7.659 1.00 0.00 N ATOM 872 CA VAL A 59 -64.573 84.249 7.484 1.00 0.00 C ATOM 873 C VAL A 59 -64.535 84.912 8.867 1.00 0.00 C ATOM 874 O VAL A 59 -65.324 84.567 9.763 1.00 0.00 O ATOM 875 CB VAL A 59 -65.915 84.519 6.732 1.00 0.00 C ATOM 876 CG1 VAL A 59 -67.110 83.885 7.432 1.00 0.00 C ATOM 877 CG2 VAL A 59 -66.132 86.014 6.505 1.00 0.00 C ATOM 0 H VAL A 59 -65.095 82.311 8.031 1.00 0.00 H new ATOM 0 HA VAL A 59 -63.804 84.685 6.846 1.00 0.00 H new ATOM 0 HB VAL A 59 -65.832 84.040 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -68.018 84.102 6.870 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -66.968 82.806 7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -67.200 84.293 8.439 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -67.074 86.169 5.979 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -66.164 86.527 7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -65.313 86.414 5.907 1.00 0.00 H new ATOM 887 N TYR A 60 -63.604 85.809 9.064 1.00 0.00 N ATOM 888 CA TYR A 60 -63.458 86.441 10.358 1.00 0.00 C ATOM 889 C TYR A 60 -63.812 87.904 10.267 1.00 0.00 C ATOM 890 O TYR A 60 -63.884 88.461 9.162 1.00 0.00 O ATOM 891 CB TYR A 60 -62.039 86.256 10.953 1.00 0.00 C ATOM 892 CG TYR A 60 -60.909 86.889 10.161 1.00 0.00 C ATOM 893 CD1 TYR A 60 -60.557 88.212 10.368 1.00 0.00 C ATOM 894 CD2 TYR A 60 -60.189 86.162 9.226 1.00 0.00 C ATOM 895 CE1 TYR A 60 -59.532 88.797 9.670 1.00 0.00 C ATOM 896 CE2 TYR A 60 -59.156 86.745 8.521 1.00 0.00 C ATOM 897 CZ TYR A 60 -58.835 88.067 8.750 1.00 0.00 C ATOM 898 OH TYR A 60 -57.804 88.656 8.061 1.00 0.00 O ATOM 0 H TYR A 60 -62.939 86.119 8.355 1.00 0.00 H new ATOM 0 HA TYR A 60 -64.151 85.946 11.039 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -62.030 86.671 11.961 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -61.840 85.188 11.047 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -61.102 88.796 11.095 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -60.440 85.127 9.047 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -59.277 89.831 9.847 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -58.602 86.170 7.794 1.00 0.00 H new ATOM 0 HH TYR A 60 -57.724 89.595 8.331 1.00 0.00 H new ATOM 908 N ASP A 61 -64.024 88.524 11.405 1.00 0.00 N ATOM 909 CA ASP A 61 -64.377 89.930 11.433 1.00 0.00 C ATOM 910 C ASP A 61 -63.410 90.732 12.276 1.00 0.00 C ATOM 911 O ASP A 61 -63.497 91.974 12.332 1.00 0.00 O ATOM 912 CB ASP A 61 -65.814 90.148 11.943 1.00 0.00 C ATOM 913 CG ASP A 61 -66.038 89.747 13.411 1.00 0.00 C ATOM 914 OD1 ASP A 61 -65.717 90.543 14.342 1.00 0.00 O ATOM 915 OD2 ASP A 61 -66.592 88.650 13.667 1.00 0.00 O1- ATOM 0 H ASP A 61 -63.959 88.082 12.322 1.00 0.00 H new ATOM 0 HA ASP A 61 -64.317 90.283 10.404 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -66.073 91.200 11.824 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -66.499 89.578 11.315 1.00 0.00 H new ATOM 920 N GLU A 62 -62.459 90.074 12.895 1.00 0.00 N ATOM 921 CA GLU A 62 -61.580 90.776 13.785 1.00 0.00 C ATOM 922 C GLU A 62 -60.264 90.041 13.892 1.00 0.00 C ATOM 923 O GLU A 62 -60.202 88.843 13.644 1.00 0.00 O ATOM 924 CB GLU A 62 -62.259 90.860 15.148 1.00 0.00 C ATOM 925 CG GLU A 62 -61.644 91.827 16.122 1.00 0.00 C ATOM 926 CD GLU A 62 -62.473 91.933 17.383 1.00 0.00 C ATOM 927 OE1 GLU A 62 -62.817 90.879 17.983 1.00 0.00 O ATOM 928 OE2 GLU A 62 -62.809 93.062 17.798 1.00 0.00 O1- ATOM 0 H GLU A 62 -62.280 89.074 12.799 1.00 0.00 H new ATOM 0 HA GLU A 62 -61.376 91.779 13.410 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -63.302 91.138 14.998 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -62.255 89.867 15.598 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -60.634 91.502 16.373 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -61.556 92.809 15.657 1.00 0.00 H new ATOM 935 N VAL A 63 -59.222 90.757 14.213 1.00 0.00 N ATOM 936 CA VAL A 63 -57.918 90.176 14.437 1.00 0.00 C ATOM 937 C VAL A 63 -57.449 90.656 15.793 1.00 0.00 C ATOM 938 O VAL A 63 -57.621 91.826 16.114 1.00 0.00 O ATOM 939 CB VAL A 63 -56.881 90.618 13.365 1.00 0.00 C ATOM 940 CG1 VAL A 63 -55.585 89.856 13.497 1.00 0.00 C ATOM 941 CG2 VAL A 63 -57.431 90.496 11.968 1.00 0.00 C ATOM 0 H VAL A 63 -59.250 91.770 14.329 1.00 0.00 H new ATOM 0 HA VAL A 63 -57.998 89.090 14.381 1.00 0.00 H new ATOM 0 HB VAL A 63 -56.671 91.672 13.548 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -54.886 90.192 12.731 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -55.157 90.035 14.483 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -55.775 88.790 13.372 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -56.675 90.815 11.250 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -57.702 89.458 11.773 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -58.314 91.127 11.868 1.00 0.00 H new ATOM 951 N CYS A 64 -56.913 89.778 16.577 1.00 0.00 N ATOM 952 CA CYS A 64 -56.456 90.104 17.906 1.00 0.00 C ATOM 953 C CYS A 64 -54.993 89.707 18.094 1.00 0.00 C ATOM 954 O CYS A 64 -54.479 88.878 17.368 1.00 0.00 O ATOM 955 CB CYS A 64 -57.327 89.389 18.938 1.00 0.00 C ATOM 956 SG CYS A 64 -59.088 89.754 18.787 1.00 0.00 S ATOM 0 H CYS A 64 -56.775 88.801 16.318 1.00 0.00 H new ATOM 0 HA CYS A 64 -56.536 91.182 18.045 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -57.179 88.313 18.841 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -56.992 89.668 19.937 1.00 0.00 H new ATOM 0 HG CYS A 64 -59.274 90.603 17.820 1.00 0.00 H new ATOM 962 N ILE A 65 -54.334 90.340 19.036 1.00 0.00 N ATOM 963 CA ILE A 65 -52.968 90.015 19.409 1.00 0.00 C ATOM 964 C ILE A 65 -52.920 89.798 20.898 1.00 0.00 C ATOM 965 O ILE A 65 -53.100 90.747 21.696 1.00 0.00 O ATOM 966 CB ILE A 65 -51.940 91.114 18.998 1.00 0.00 C ATOM 967 CG1 ILE A 65 -51.932 91.260 17.484 1.00 0.00 C ATOM 968 CG2 ILE A 65 -50.525 90.779 19.519 1.00 0.00 C ATOM 969 CD1 ILE A 65 -51.001 92.321 16.980 1.00 0.00 C ATOM 0 H ILE A 65 -54.734 91.108 19.576 1.00 0.00 H new ATOM 0 HA ILE A 65 -52.681 89.113 18.869 1.00 0.00 H new ATOM 0 HB ILE A 65 -52.240 92.059 19.450 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -51.654 90.305 17.038 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -52.943 91.487 17.146 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -49.831 91.563 19.217 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -50.544 90.711 20.607 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -50.200 89.826 19.102 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -51.053 92.363 15.892 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -51.291 93.286 17.395 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -49.982 92.086 17.286 1.00 0.00 H new ATOM 981 N GLN A 66 -52.725 88.572 21.270 1.00 0.00 N ATOM 982 CA GLN A 66 -52.675 88.169 22.641 1.00 0.00 C ATOM 983 C GLN A 66 -51.883 86.882 22.729 1.00 0.00 C ATOM 984 O GLN A 66 -51.818 86.136 21.744 1.00 0.00 O ATOM 985 CB GLN A 66 -54.097 87.979 23.182 1.00 0.00 C ATOM 986 CG GLN A 66 -54.160 87.606 24.646 1.00 0.00 C ATOM 987 CD GLN A 66 -53.494 88.626 25.539 1.00 0.00 C ATOM 988 OE1 GLN A 66 -52.297 88.535 25.818 1.00 0.00 O ATOM 989 NE2 GLN A 66 -54.239 89.596 25.976 1.00 0.00 N ATOM 0 H GLN A 66 -52.593 87.804 20.612 1.00 0.00 H new ATOM 0 HA GLN A 66 -52.190 88.934 23.247 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -54.658 88.901 23.029 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -54.594 87.203 22.600 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -55.203 87.495 24.943 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -53.683 86.637 24.790 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -55.226 89.635 25.722 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -53.837 90.319 26.573 1.00 0.00 H new ATOM 998 N ALA A 67 -51.237 86.654 23.869 1.00 0.00 N ATOM 999 CA ALA A 67 -50.429 85.456 24.121 1.00 0.00 C ATOM 1000 C ALA A 67 -49.268 85.375 23.121 1.00 0.00 C ATOM 1001 O ALA A 67 -48.760 84.294 22.816 1.00 0.00 O ATOM 1002 CB ALA A 67 -51.307 84.198 24.052 1.00 0.00 C ATOM 0 H ALA A 67 -51.258 87.302 24.656 1.00 0.00 H new ATOM 0 HA ALA A 67 -50.006 85.520 25.124 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -50.695 83.316 24.241 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -52.093 84.262 24.804 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -51.757 84.122 23.062 1.00 0.00 H new ATOM 1008 N GLY A 68 -48.870 86.535 22.599 1.00 0.00 N ATOM 1009 CA GLY A 68 -47.804 86.614 21.609 1.00 0.00 C ATOM 1010 C GLY A 68 -48.214 86.028 20.269 1.00 0.00 C ATOM 1011 O GLY A 68 -47.383 85.746 19.411 1.00 0.00 O ATOM 0 H GLY A 68 -49.275 87.437 22.850 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -47.514 87.656 21.473 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -46.927 86.085 21.981 1.00 0.00 H new ATOM 1015 N HIS A 69 -49.483 85.800 20.108 1.00 0.00 N ATOM 1016 CA HIS A 69 -50.015 85.242 18.899 1.00 0.00 C ATOM 1017 C HIS A 69 -51.004 86.198 18.289 1.00 0.00 C ATOM 1018 O HIS A 69 -51.577 87.036 18.990 1.00 0.00 O ATOM 1019 CB HIS A 69 -50.671 83.872 19.164 1.00 0.00 C ATOM 1020 CG HIS A 69 -49.704 82.761 19.498 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -49.033 82.657 20.701 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -49.286 81.708 18.759 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -48.255 81.600 20.683 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -48.391 81.011 19.521 1.00 0.00 N ATOM 0 H HIS A 69 -50.186 85.998 20.820 1.00 0.00 H new ATOM 0 HA HIS A 69 -49.196 85.085 18.197 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -51.380 83.977 19.985 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -51.244 83.583 18.283 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -49.128 83.303 21.484 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -49.601 81.464 17.755 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -47.613 81.272 21.488 1.00 0.00 H new ATOM 1033 N ILE A 70 -51.180 86.099 17.007 1.00 0.00 N ATOM 1034 CA ILE A 70 -52.174 86.866 16.318 1.00 0.00 C ATOM 1035 C ILE A 70 -53.343 85.944 16.074 1.00 0.00 C ATOM 1036 O ILE A 70 -53.152 84.799 15.647 1.00 0.00 O ATOM 1037 CB ILE A 70 -51.645 87.443 14.981 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -50.419 88.318 15.247 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -52.726 88.229 14.267 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -49.924 89.112 14.055 1.00 0.00 C ATOM 0 H ILE A 70 -50.636 85.481 16.405 1.00 0.00 H new ATOM 0 HA ILE A 70 -52.464 87.726 16.922 1.00 0.00 H new ATOM 0 HB ILE A 70 -51.354 86.618 14.331 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -50.656 89.012 16.053 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -49.608 87.682 15.602 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -52.331 88.624 13.331 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -53.572 87.575 14.056 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -53.054 89.054 14.899 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -49.053 89.699 14.345 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -49.649 88.429 13.251 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -50.713 89.780 13.710 1.00 0.00 H new ATOM 1052 N TRP A 71 -54.516 86.416 16.348 1.00 0.00 N ATOM 1053 CA TRP A 71 -55.701 85.605 16.324 1.00 0.00 C ATOM 1054 C TRP A 71 -56.713 86.230 15.442 1.00 0.00 C ATOM 1055 O TRP A 71 -56.737 87.435 15.293 1.00 0.00 O ATOM 1056 CB TRP A 71 -56.332 85.547 17.719 1.00 0.00 C ATOM 1057 CG TRP A 71 -55.441 85.081 18.811 1.00 0.00 C ATOM 1058 CD1 TRP A 71 -54.500 85.808 19.462 1.00 0.00 C ATOM 1059 CD2 TRP A 71 -55.441 83.799 19.412 1.00 0.00 C ATOM 1060 NE1 TRP A 71 -53.894 85.043 20.411 1.00 0.00 N ATOM 1061 CE2 TRP A 71 -54.455 83.806 20.409 1.00 0.00 C ATOM 1062 CE3 TRP A 71 -56.173 82.644 19.199 1.00 0.00 C ATOM 1063 CZ2 TRP A 71 -54.184 82.700 21.195 1.00 0.00 C ATOM 1064 CZ3 TRP A 71 -55.907 81.549 19.977 1.00 0.00 C ATOM 1065 CH2 TRP A 71 -54.922 81.580 20.964 1.00 0.00 C ATOM 0 H TRP A 71 -54.686 87.390 16.599 1.00 0.00 H new ATOM 0 HA TRP A 71 -55.418 84.611 15.977 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -56.698 86.542 17.973 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -57.200 84.889 17.678 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -54.266 86.842 19.258 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -53.140 85.350 21.025 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -56.937 82.607 18.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -53.420 82.724 21.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -56.472 80.642 19.823 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -54.741 80.696 21.558 1.00 0.00 H new ATOM 1076 N ILE A 72 -57.528 85.440 14.864 1.00 0.00 N ATOM 1077 CA ILE A 72 -58.655 85.941 14.156 1.00 0.00 C ATOM 1078 C ILE A 72 -59.893 85.667 14.971 1.00 0.00 C ATOM 1079 O ILE A 72 -60.081 84.558 15.479 1.00 0.00 O ATOM 1080 CB ILE A 72 -58.800 85.356 12.745 1.00 0.00 C ATOM 1081 CG1 ILE A 72 -58.821 83.824 12.786 1.00 0.00 C ATOM 1082 CG2 ILE A 72 -57.673 85.879 11.855 1.00 0.00 C ATOM 1083 CD1 ILE A 72 -59.273 83.193 11.502 1.00 0.00 C ATOM 0 H ILE A 72 -57.441 84.424 14.863 1.00 0.00 H new ATOM 0 HA ILE A 72 -58.511 87.012 14.017 1.00 0.00 H new ATOM 0 HB ILE A 72 -59.752 85.677 12.322 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -57.821 83.462 13.026 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -59.480 83.500 13.592 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -57.777 85.462 10.853 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -57.725 86.967 11.803 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -56.711 85.582 12.273 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -59.262 82.108 11.606 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -60.285 83.525 11.270 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -58.601 83.487 10.696 1.00 0.00 H new ATOM 1095 N GLY A 73 -60.683 86.671 15.140 1.00 0.00 N ATOM 1096 CA GLY A 73 -61.878 86.559 15.894 1.00 0.00 C ATOM 1097 C GLY A 73 -63.039 86.406 14.987 1.00 0.00 C ATOM 1098 O GLY A 73 -63.290 87.274 14.126 1.00 0.00 O ATOM 0 H GLY A 73 -60.514 87.600 14.754 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -61.815 85.702 16.565 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -62.008 87.443 16.518 1.00 0.00 H new ATOM 1102 N TYR A 74 -63.715 85.314 15.112 1.00 0.00 N ATOM 1103 CA TYR A 74 -64.843 85.061 14.298 1.00 0.00 C ATOM 1104 C TYR A 74 -65.899 84.373 15.093 1.00 0.00 C ATOM 1105 O TYR A 74 -65.662 83.945 16.220 1.00 0.00 O ATOM 1106 CB TYR A 74 -64.456 84.230 13.060 1.00 0.00 C ATOM 1107 CG TYR A 74 -63.827 82.874 13.339 1.00 0.00 C ATOM 1108 CD1 TYR A 74 -62.456 82.750 13.504 1.00 0.00 C ATOM 1109 CD2 TYR A 74 -64.599 81.718 13.397 1.00 0.00 C ATOM 1110 CE1 TYR A 74 -61.872 81.524 13.720 1.00 0.00 C ATOM 1111 CE2 TYR A 74 -64.022 80.486 13.621 1.00 0.00 C ATOM 1112 CZ TYR A 74 -62.655 80.395 13.778 1.00 0.00 C ATOM 1113 OH TYR A 74 -62.070 79.167 13.982 1.00 0.00 O ATOM 0 H TYR A 74 -63.497 84.576 15.782 1.00 0.00 H new ATOM 0 HA TYR A 74 -65.237 86.014 13.944 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -65.350 84.076 12.456 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -63.760 84.814 12.457 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -61.835 83.633 13.462 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -65.669 81.787 13.264 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -60.802 81.448 13.844 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -64.636 79.599 13.673 1.00 0.00 H new ATOM 0 HH TYR A 74 -62.762 78.473 13.998 1.00 0.00 H new ATOM 1203 N ARG A 81 -67.746 82.621 19.958 1.00 0.00 N ATOM 1204 CA ARG A 81 -66.638 83.465 19.528 1.00 0.00 C ATOM 1205 C ARG A 81 -65.435 82.595 19.440 1.00 0.00 C ATOM 1206 O ARG A 81 -64.992 82.072 20.438 1.00 0.00 O ATOM 1207 CB ARG A 81 -66.348 84.597 20.541 1.00 0.00 C ATOM 1208 CG ARG A 81 -65.459 85.724 19.981 1.00 0.00 C ATOM 1209 CD ARG A 81 -66.037 86.345 18.705 1.00 0.00 C ATOM 1210 NE ARG A 81 -65.287 87.537 18.238 1.00 0.00 N ATOM 1211 CZ ARG A 81 -65.515 88.174 17.058 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -66.457 87.719 16.225 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 81 -64.819 89.273 16.724 1.00 0.00 N ATOM 0 HA ARG A 81 -66.891 83.928 18.574 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -67.294 85.025 20.873 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -65.865 84.170 21.420 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -65.341 86.500 20.738 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -64.465 85.329 19.771 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -66.041 85.595 17.914 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -67.075 86.625 18.884 1.00 0.00 H new ATOM 0 HE ARG A 81 -64.551 87.903 18.842 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -67.004 86.895 16.475 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -66.629 88.196 15.340 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -64.109 89.640 17.358 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -65.000 89.741 15.836 1.00 0.00 H new ATOM 1227 N VAL A 82 -64.928 82.408 18.290 1.00 0.00 N ATOM 1228 CA VAL A 82 -63.807 81.551 18.141 1.00 0.00 C ATOM 1229 C VAL A 82 -62.640 82.333 17.643 1.00 0.00 C ATOM 1230 O VAL A 82 -62.773 83.187 16.763 1.00 0.00 O ATOM 1231 CB VAL A 82 -64.094 80.347 17.217 1.00 0.00 C ATOM 1232 CG1 VAL A 82 -62.927 79.390 17.188 1.00 0.00 C ATOM 1233 CG2 VAL A 82 -65.338 79.633 17.663 1.00 0.00 C ATOM 0 H VAL A 82 -65.266 82.835 17.428 1.00 0.00 H new ATOM 0 HA VAL A 82 -63.578 81.137 19.123 1.00 0.00 H new ATOM 0 HB VAL A 82 -64.245 80.727 16.207 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -63.159 78.553 16.529 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -62.041 79.907 16.819 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -62.737 79.018 18.195 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -65.528 78.787 17.003 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -65.206 79.274 18.684 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -66.184 80.319 17.626 1.00 0.00 H new ATOM 1243 N TYR A 83 -61.537 82.091 18.247 1.00 0.00 N ATOM 1244 CA TYR A 83 -60.318 82.722 17.894 1.00 0.00 C ATOM 1245 C TYR A 83 -59.347 81.688 17.427 1.00 0.00 C ATOM 1246 O TYR A 83 -59.069 80.719 18.132 1.00 0.00 O ATOM 1247 CB TYR A 83 -59.733 83.492 19.067 1.00 0.00 C ATOM 1248 CG TYR A 83 -60.583 84.639 19.544 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -60.443 85.907 18.999 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -61.508 84.461 20.550 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -61.209 86.962 19.451 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -62.272 85.505 21.003 1.00 0.00 C ATOM 1253 CZ TYR A 83 -62.121 86.751 20.454 1.00 0.00 C ATOM 1254 OH TYR A 83 -62.885 87.791 20.921 1.00 0.00 O ATOM 0 H TYR A 83 -61.453 81.432 19.021 1.00 0.00 H new ATOM 0 HA TYR A 83 -60.516 83.435 17.094 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -59.576 82.802 19.896 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -58.753 83.876 18.782 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -59.724 86.071 18.210 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -61.633 83.482 20.989 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -61.092 87.945 19.019 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -62.992 85.345 21.792 1.00 0.00 H new ATOM 0 HH TYR A 83 -63.479 87.468 21.630 1.00 0.00 H new ATOM 1264 N CYS A 84 -58.872 81.862 16.252 1.00 0.00 N ATOM 1265 CA CYS A 84 -57.903 80.975 15.693 1.00 0.00 C ATOM 1266 C CYS A 84 -56.599 81.735 15.557 1.00 0.00 C ATOM 1267 O CYS A 84 -56.591 82.835 15.003 1.00 0.00 O ATOM 1268 CB CYS A 84 -58.379 80.470 14.320 1.00 0.00 C ATOM 1269 SG CYS A 84 -57.252 79.328 13.492 1.00 0.00 S ATOM 0 H CYS A 84 -59.142 82.630 15.638 1.00 0.00 H new ATOM 0 HA CYS A 84 -57.764 80.107 16.338 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -59.343 79.978 14.446 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -58.542 81.330 13.670 1.00 0.00 H new ATOM 0 HG CYS A 84 -57.521 79.299 12.220 1.00 0.00 H new ATOM 1275 N PRO A 85 -55.496 81.218 16.109 1.00 0.00 N ATOM 1276 CA PRO A 85 -54.212 81.849 15.950 1.00 0.00 C ATOM 1277 C PRO A 85 -53.744 81.652 14.517 1.00 0.00 C ATOM 1278 O PRO A 85 -53.804 80.556 13.985 1.00 0.00 O ATOM 1279 CB PRO A 85 -53.305 81.135 16.957 1.00 0.00 C ATOM 1280 CG PRO A 85 -53.951 79.814 17.207 1.00 0.00 C ATOM 1281 CD PRO A 85 -55.424 79.974 16.902 1.00 0.00 C ATOM 0 HA PRO A 85 -54.220 82.924 16.132 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -52.298 81.010 16.559 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -53.214 81.709 17.879 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -53.509 79.043 16.576 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -53.803 79.503 18.241 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -55.810 79.122 16.342 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -56.014 80.049 17.815 1.00 0.00 H new ATOM 1289 N VAL A 86 -53.347 82.706 13.884 1.00 0.00 N ATOM 1290 CA VAL A 86 -52.999 82.632 12.479 1.00 0.00 C ATOM 1291 C VAL A 86 -51.530 82.852 12.218 1.00 0.00 C ATOM 1292 O VAL A 86 -51.055 82.600 11.112 1.00 0.00 O ATOM 1293 CB VAL A 86 -53.840 83.606 11.634 1.00 0.00 C ATOM 1294 CG1 VAL A 86 -55.291 83.192 11.664 1.00 0.00 C ATOM 1295 CG2 VAL A 86 -53.689 85.040 12.136 1.00 0.00 C ATOM 0 H VAL A 86 -53.251 83.631 14.303 1.00 0.00 H new ATOM 0 HA VAL A 86 -53.230 81.611 12.175 1.00 0.00 H new ATOM 0 HB VAL A 86 -53.478 83.569 10.607 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -55.880 83.886 11.064 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -55.391 82.186 11.257 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -55.652 83.205 12.692 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -54.294 85.706 11.521 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -54.023 85.100 13.172 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -52.643 85.339 12.074 1.00 0.00 H new ATOM 1305 N ARG A 87 -50.824 83.338 13.225 1.00 0.00 N ATOM 1306 CA ARG A 87 -49.396 83.604 13.148 1.00 0.00 C ATOM 1307 C ARG A 87 -48.940 84.109 14.496 1.00 0.00 C ATOM 1308 O ARG A 87 -49.777 84.409 15.359 1.00 0.00 O ATOM 1309 CB ARG A 87 -49.071 84.613 12.004 1.00 0.00 C ATOM 1310 CG ARG A 87 -49.737 85.969 12.122 1.00 0.00 C ATOM 1311 CD ARG A 87 -49.867 86.672 10.765 1.00 0.00 C ATOM 1312 NE ARG A 87 -48.587 86.858 10.056 1.00 0.00 N ATOM 1313 CZ ARG A 87 -48.407 87.687 9.003 1.00 0.00 C ATOM 1314 NH1 ARG A 87 -49.404 88.459 8.570 1.00 0.00 N1+ ATOM 1315 NH2 ARG A 87 -47.223 87.748 8.414 1.00 0.00 N ATOM 0 H ARG A 87 -51.232 83.562 14.133 1.00 0.00 H new ATOM 0 HA ARG A 87 -48.856 82.689 12.905 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -47.991 84.760 11.968 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -49.364 84.165 11.054 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -50.727 85.848 12.563 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -49.160 86.597 12.801 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -50.540 86.094 10.132 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -50.331 87.647 10.916 1.00 0.00 H new ATOM 0 HE ARG A 87 -47.782 86.324 10.383 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -50.312 88.427 9.034 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -49.259 89.081 7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -46.453 87.172 8.755 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -47.080 88.371 7.619 1.00 0.00 H new ATOM 1329 N THR A 88 -47.666 84.157 14.709 1.00 0.00 N ATOM 1330 CA THR A 88 -47.120 84.644 15.942 1.00 0.00 C ATOM 1331 C THR A 88 -46.830 86.138 15.820 1.00 0.00 C ATOM 1332 O THR A 88 -46.794 86.669 14.701 1.00 0.00 O ATOM 1333 CB THR A 88 -45.834 83.871 16.259 1.00 0.00 C ATOM 1334 OG1 THR A 88 -45.031 83.810 15.069 1.00 0.00 O ATOM 1335 CG2 THR A 88 -46.154 82.457 16.725 1.00 0.00 C ATOM 0 H THR A 88 -46.966 83.858 14.030 1.00 0.00 H new ATOM 0 HA THR A 88 -47.835 84.495 16.751 1.00 0.00 H new ATOM 0 HB THR A 88 -45.297 84.383 17.058 1.00 0.00 H new ATOM 0 HG1 THR A 88 -45.251 82.998 14.567 1.00 0.00 H new ATOM 0 HG21 THR A 88 -45.227 81.928 16.944 1.00 0.00 H new ATOM 0 HG22 THR A 88 -46.768 82.501 17.624 1.00 0.00 H new ATOM 0 HG23 THR A 88 -46.696 81.929 15.940 1.00 0.00 H new ATOM 1343 N CYS A 89 -46.662 86.807 16.935 1.00 0.00 N ATOM 1344 CA CYS A 89 -46.359 88.213 16.950 1.00 0.00 C ATOM 1345 C CYS A 89 -45.370 88.494 18.044 1.00 0.00 C ATOM 1346 O CYS A 89 -45.624 88.196 19.218 1.00 0.00 O ATOM 1347 CB CYS A 89 -47.625 89.046 17.165 1.00 0.00 C ATOM 1348 SG CYS A 89 -47.359 90.835 17.251 1.00 0.00 S ATOM 0 H CYS A 89 -46.733 86.386 17.862 1.00 0.00 H new ATOM 0 HA CYS A 89 -45.933 88.489 15.985 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -48.322 88.836 16.354 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -48.104 88.720 18.089 1.00 0.00 H new ATOM 0 HG CYS A 89 -47.205 91.192 18.492 1.00 0.00 H new ATOM 1354 N GLN A 90 -44.244 89.022 17.674 1.00 0.00 N ATOM 1355 CA GLN A 90 -43.251 89.386 18.627 1.00 0.00 C ATOM 1356 C GLN A 90 -43.607 90.760 19.155 1.00 0.00 C ATOM 1357 O GLN A 90 -43.571 91.751 18.405 1.00 0.00 O ATOM 1358 CB GLN A 90 -41.891 89.438 17.978 1.00 0.00 C ATOM 1359 CG GLN A 90 -40.752 89.381 18.958 1.00 0.00 C ATOM 1360 CD GLN A 90 -39.430 89.581 18.289 1.00 0.00 C ATOM 1361 OE1 GLN A 90 -38.961 90.702 18.167 1.00 0.00 O ATOM 1362 NE2 GLN A 90 -38.832 88.524 17.825 1.00 0.00 N ATOM 0 H GLN A 90 -43.991 89.211 16.704 1.00 0.00 H new ATOM 0 HA GLN A 90 -43.218 88.651 19.431 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -41.800 88.607 17.279 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -41.811 90.355 17.394 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -40.892 90.146 19.722 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -40.759 88.417 19.467 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -39.255 87.604 17.946 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -37.940 88.615 17.340 1.00 0.00 H new ATOM 1371 N GLY A 91 -43.991 90.813 20.398 1.00 0.00 N ATOM 1372 CA GLY A 91 -44.381 92.048 20.995 1.00 0.00 C ATOM 1373 C GLY A 91 -45.794 92.433 20.605 1.00 0.00 C ATOM 1374 O GLY A 91 -46.556 91.614 20.066 1.00 0.00 O ATOM 0 H GLY A 91 -44.041 90.005 21.019 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -44.311 91.967 22.080 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -43.691 92.835 20.689 1.00 0.00 H new ATOM 1378 N VAL A 92 -46.135 93.657 20.864 1.00 0.00 N ATOM 1379 CA VAL A 92 -47.436 94.192 20.553 1.00 0.00 C ATOM 1380 C VAL A 92 -47.283 95.383 19.622 1.00 0.00 C ATOM 1381 O VAL A 92 -46.191 95.942 19.520 1.00 0.00 O ATOM 1382 CB VAL A 92 -48.220 94.603 21.837 1.00 0.00 C ATOM 1383 CG1 VAL A 92 -48.655 93.377 22.606 1.00 0.00 C ATOM 1384 CG2 VAL A 92 -47.381 95.514 22.727 1.00 0.00 C ATOM 0 H VAL A 92 -45.509 94.330 21.306 1.00 0.00 H new ATOM 0 HA VAL A 92 -48.015 93.411 20.060 1.00 0.00 H new ATOM 0 HB VAL A 92 -49.106 95.156 21.525 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -49.201 93.682 23.499 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -49.301 92.764 21.978 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -47.777 92.800 22.897 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -47.954 95.784 23.614 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -46.472 94.993 23.027 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -47.117 96.417 22.177 1.00 0.00 H new ATOM 1394 N PRO A 93 -48.346 95.777 18.903 1.00 0.00 N ATOM 1395 CA PRO A 93 -48.286 96.921 17.996 1.00 0.00 C ATOM 1396 C PRO A 93 -48.061 98.257 18.743 1.00 0.00 C ATOM 1397 O PRO A 93 -48.231 98.315 19.963 1.00 0.00 O ATOM 1398 CB PRO A 93 -49.635 96.902 17.293 1.00 0.00 C ATOM 1399 CG PRO A 93 -50.538 96.126 18.188 1.00 0.00 C ATOM 1400 CD PRO A 93 -49.678 95.142 18.912 1.00 0.00 C ATOM 0 HA PRO A 93 -47.445 96.848 17.306 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -50.011 97.913 17.137 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -49.559 96.435 16.311 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -51.048 96.785 18.890 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -51.310 95.616 17.612 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -50.033 94.969 19.928 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -49.665 94.175 18.410 1.00 0.00 H new ATOM 1408 N PRO A 94 -47.726 99.371 18.033 1.00 0.00 N ATOM 1409 CA PRO A 94 -47.655 99.437 16.557 1.00 0.00 C ATOM 1410 C PRO A 94 -46.559 98.566 15.949 1.00 0.00 C ATOM 1411 O PRO A 94 -46.717 98.051 14.842 1.00 0.00 O ATOM 1412 CB PRO A 94 -47.396 100.917 16.271 1.00 0.00 C ATOM 1413 CG PRO A 94 -46.757 101.430 17.506 1.00 0.00 C ATOM 1414 CD PRO A 94 -47.375 100.667 18.639 1.00 0.00 C ATOM 0 HA PRO A 94 -48.570 99.053 16.107 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -46.746 101.046 15.405 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -48.323 101.447 16.055 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -45.678 101.280 17.478 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -46.928 102.501 17.618 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -46.678 100.546 19.468 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -48.254 101.177 19.033 1.00 0.00 H new ATOM 1422 N ASN A 95 -45.490 98.332 16.681 1.00 0.00 N ATOM 1423 CA ASN A 95 -44.432 97.505 16.143 1.00 0.00 C ATOM 1424 C ASN A 95 -44.660 96.083 16.504 1.00 0.00 C ATOM 1425 O ASN A 95 -44.096 95.551 17.460 1.00 0.00 O ATOM 1426 CB ASN A 95 -43.016 97.957 16.536 1.00 0.00 C ATOM 1427 CG ASN A 95 -42.631 99.288 15.926 1.00 0.00 C ATOM 1428 OD1 ASN A 95 -42.124 99.347 14.810 1.00 0.00 O ATOM 1429 ND2 ASN A 95 -42.847 100.349 16.641 1.00 0.00 N ATOM 0 H ASN A 95 -45.332 98.691 17.623 1.00 0.00 H new ATOM 0 HA ASN A 95 -44.477 97.620 15.060 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -42.951 98.029 17.622 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -42.298 97.199 16.223 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -42.593 101.268 16.279 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -43.270 100.264 17.565 1.00 0.00 H new ATOM 1436 N GLN A 96 -45.533 95.491 15.765 1.00 0.00 N ATOM 1437 CA GLN A 96 -45.835 94.118 15.902 1.00 0.00 C ATOM 1438 C GLN A 96 -44.968 93.404 14.907 1.00 0.00 C ATOM 1439 O GLN A 96 -44.672 93.948 13.826 1.00 0.00 O ATOM 1440 CB GLN A 96 -47.324 93.891 15.597 1.00 0.00 C ATOM 1441 CG GLN A 96 -47.693 94.103 14.139 1.00 0.00 C ATOM 1442 CD GLN A 96 -49.053 94.740 13.940 1.00 0.00 C ATOM 1443 OE1 GLN A 96 -49.976 94.460 14.809 1.00 0.00 O flip ATOM 1444 NE2 GLN A 96 -49.267 95.467 12.984 1.00 0.00 N flip ATOM 0 H GLN A 96 -46.066 95.963 15.034 1.00 0.00 H new ATOM 0 HA GLN A 96 -45.648 93.751 16.911 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -47.593 92.875 15.886 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -47.918 94.565 16.214 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -46.936 94.731 13.670 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -47.673 93.142 13.625 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -48.520 95.668 12.319 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -50.193 95.874 12.850 1.00 0.00 H new ATOM 1453 N ILE A 97 -44.509 92.271 15.251 1.00 0.00 N ATOM 1454 CA ILE A 97 -43.717 91.502 14.336 1.00 0.00 C ATOM 1455 C ILE A 97 -44.372 90.166 14.128 1.00 0.00 C ATOM 1456 O ILE A 97 -44.204 89.246 14.929 1.00 0.00 O ATOM 1457 CB ILE A 97 -42.251 91.334 14.799 1.00 0.00 C ATOM 1458 CG1 ILE A 97 -41.614 92.714 15.002 1.00 0.00 C ATOM 1459 CG2 ILE A 97 -41.462 90.520 13.768 1.00 0.00 C ATOM 1460 CD1 ILE A 97 -40.218 92.693 15.570 1.00 0.00 C ATOM 0 H ILE A 97 -44.659 91.837 16.162 1.00 0.00 H new ATOM 0 HA ILE A 97 -43.669 92.047 13.393 1.00 0.00 H new ATOM 0 HB ILE A 97 -42.231 90.795 15.746 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -41.592 93.232 14.043 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -42.252 93.298 15.666 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -40.431 90.408 14.104 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -41.916 89.535 13.657 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -41.476 91.037 12.808 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -39.853 93.715 15.677 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -40.230 92.208 16.546 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -39.560 92.141 14.898 1.00 0.00 H new ATOM 1472 N PRO A 98 -45.205 90.075 13.111 1.00 0.00 N ATOM 1473 CA PRO A 98 -45.897 88.860 12.795 1.00 0.00 C ATOM 1474 C PRO A 98 -45.012 87.871 12.037 1.00 0.00 C ATOM 1475 O PRO A 98 -44.277 88.246 11.116 1.00 0.00 O ATOM 1476 CB PRO A 98 -47.068 89.331 11.934 1.00 0.00 C ATOM 1477 CG PRO A 98 -46.613 90.599 11.296 1.00 0.00 C ATOM 1478 CD PRO A 98 -45.549 91.177 12.186 1.00 0.00 C ATOM 0 HA PRO A 98 -46.211 88.319 13.687 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -47.327 88.585 11.182 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -47.959 89.495 12.540 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -46.220 90.410 10.297 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -47.444 91.295 11.185 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -44.681 91.498 11.610 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -45.914 92.050 12.727 1.00 0.00 H new ATOM 1486 N GLY A 99 -45.073 86.624 12.438 1.00 0.00 N ATOM 1487 CA GLY A 99 -44.327 85.585 11.766 1.00 0.00 C ATOM 1488 C GLY A 99 -45.051 85.108 10.527 1.00 0.00 C ATOM 1489 O GLY A 99 -45.923 85.820 10.001 1.00 0.00 O ATOM 0 H GLY A 99 -45.633 86.303 13.228 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -43.341 85.960 11.493 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -44.172 84.747 12.446 1.00 0.00 H new ATOM 1493 N VAL A 100 -44.724 83.921 10.071 1.00 0.00 N ATOM 1494 CA VAL A 100 -45.353 83.351 8.888 1.00 0.00 C ATOM 1495 C VAL A 100 -46.846 83.132 9.146 1.00 0.00 C ATOM 1496 O VAL A 100 -47.246 82.753 10.257 1.00 0.00 O ATOM 1497 CB VAL A 100 -44.674 82.002 8.459 1.00 0.00 C ATOM 1498 CG1 VAL A 100 -44.832 80.916 9.523 1.00 0.00 C ATOM 1499 CG2 VAL A 100 -45.201 81.518 7.110 1.00 0.00 C ATOM 0 H VAL A 100 -44.020 83.322 10.502 1.00 0.00 H new ATOM 0 HA VAL A 100 -45.225 84.058 8.069 1.00 0.00 H new ATOM 0 HB VAL A 100 -43.608 82.205 8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -44.347 80.001 9.183 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -44.370 81.248 10.453 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -45.891 80.724 9.692 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -44.711 80.582 6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -46.277 81.358 7.176 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -44.992 82.268 6.347 1.00 0.00 H new ATOM 1509 N ALA A 101 -47.657 83.429 8.166 1.00 0.00 N ATOM 1510 CA ALA A 101 -49.061 83.216 8.287 1.00 0.00 C ATOM 1511 C ALA A 101 -49.362 81.775 8.049 1.00 0.00 C ATOM 1512 O ALA A 101 -48.853 81.158 7.094 1.00 0.00 O ATOM 1513 CB ALA A 101 -49.841 84.071 7.327 1.00 0.00 C ATOM 0 H ALA A 101 -47.360 83.821 7.273 1.00 0.00 H new ATOM 0 HA ALA A 101 -49.363 83.499 9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -50.907 83.878 7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -49.636 85.123 7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -49.546 83.833 6.305 1.00 0.00 H new ATOM 1519 N TRP A 102 -50.184 81.233 8.882 1.00 0.00 N ATOM 1520 CA TRP A 102 -50.532 79.845 8.807 1.00 0.00 C ATOM 1521 C TRP A 102 -51.649 79.596 7.803 1.00 0.00 C ATOM 1522 O TRP A 102 -52.157 78.491 7.697 1.00 0.00 O ATOM 1523 CB TRP A 102 -50.872 79.313 10.201 1.00 0.00 C ATOM 1524 CG TRP A 102 -49.717 79.420 11.161 1.00 0.00 C ATOM 1525 CD1 TRP A 102 -48.392 79.438 10.846 1.00 0.00 C ATOM 1526 CD2 TRP A 102 -49.783 79.499 12.581 1.00 0.00 C ATOM 1527 NE1 TRP A 102 -47.635 79.560 11.981 1.00 0.00 N ATOM 1528 CE2 TRP A 102 -48.464 79.591 13.059 1.00 0.00 C ATOM 1529 CE3 TRP A 102 -50.823 79.510 13.490 1.00 0.00 C ATOM 1530 CZ2 TRP A 102 -48.170 79.695 14.410 1.00 0.00 C ATOM 1531 CZ3 TRP A 102 -50.534 79.606 14.824 1.00 0.00 C ATOM 1532 CH2 TRP A 102 -49.218 79.699 15.279 1.00 0.00 C ATOM 0 H TRP A 102 -50.639 81.739 9.641 1.00 0.00 H new ATOM 0 HA TRP A 102 -49.668 79.291 8.439 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -51.723 79.866 10.599 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -51.179 78.270 10.123 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -47.995 79.366 9.844 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -46.617 79.618 12.013 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -51.847 79.444 13.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -47.151 79.770 14.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -51.342 79.610 15.541 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -49.028 79.776 16.339 1.00 0.00 H new ATOM 1543 N GLY A 103 -51.980 80.622 7.037 1.00 0.00 N ATOM 1544 CA GLY A 103 -52.983 80.522 6.026 1.00 0.00 C ATOM 1545 C GLY A 103 -53.063 81.780 5.209 1.00 0.00 C ATOM 1546 O GLY A 103 -52.241 82.698 5.372 1.00 0.00 O ATOM 0 H GLY A 103 -51.551 81.545 7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -52.762 79.676 5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -53.950 80.324 6.489 1.00 0.00 H new ATOM 1550 N VAL A 104 -54.057 81.839 4.370 1.00 0.00 N ATOM 1551 CA VAL A 104 -54.266 82.955 3.477 1.00 0.00 C ATOM 1552 C VAL A 104 -55.275 83.877 4.100 1.00 0.00 C ATOM 1553 O VAL A 104 -56.164 83.432 4.808 1.00 0.00 O ATOM 1554 CB VAL A 104 -54.888 82.510 2.138 1.00 0.00 C ATOM 1555 CG1 VAL A 104 -54.735 83.571 1.065 1.00 0.00 C ATOM 1556 CG2 VAL A 104 -54.397 81.164 1.672 1.00 0.00 C ATOM 0 H VAL A 104 -54.759 81.104 4.282 1.00 0.00 H new ATOM 0 HA VAL A 104 -53.296 83.421 3.305 1.00 0.00 H new ATOM 0 HB VAL A 104 -55.954 82.388 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -55.186 83.218 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -55.232 84.487 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -53.676 83.772 0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -54.874 80.911 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -53.316 81.198 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -54.646 80.408 2.417 1.00 0.00 H new ATOM 1566 N PHE A 105 -55.151 85.123 3.818 1.00 0.00 N ATOM 1567 CA PHE A 105 -56.068 86.109 4.250 1.00 0.00 C ATOM 1568 C PHE A 105 -56.600 86.798 3.014 1.00 0.00 C ATOM 1569 O PHE A 105 -55.848 87.470 2.301 1.00 0.00 O ATOM 1570 CB PHE A 105 -55.360 87.126 5.101 1.00 0.00 C ATOM 1571 CG PHE A 105 -54.742 86.611 6.368 1.00 0.00 C ATOM 1572 CD1 PHE A 105 -53.371 86.436 6.461 1.00 0.00 C ATOM 1573 CD2 PHE A 105 -55.524 86.329 7.469 1.00 0.00 C ATOM 1574 CE1 PHE A 105 -52.797 85.989 7.629 1.00 0.00 C ATOM 1575 CE2 PHE A 105 -54.954 85.877 8.636 1.00 0.00 C ATOM 1576 CZ PHE A 105 -53.587 85.710 8.714 1.00 0.00 C ATOM 0 H PHE A 105 -54.382 85.495 3.261 1.00 0.00 H new ATOM 0 HA PHE A 105 -56.870 85.655 4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -54.577 87.590 4.501 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -56.070 87.911 5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -52.746 86.653 5.607 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -56.594 86.465 7.414 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -51.727 85.858 7.691 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -55.576 85.653 9.490 1.00 0.00 H new ATOM 0 HZ PHE A 105 -53.138 85.359 9.631 1.00 0.00 H new ATOM 1586 N LYS A 106 -57.820 86.551 2.696 1.00 0.00 N ATOM 1587 CA LYS A 106 -58.444 87.188 1.565 1.00 0.00 C ATOM 1588 C LYS A 106 -59.315 88.325 2.040 1.00 0.00 C ATOM 1589 O LYS A 106 -58.856 89.483 2.042 1.00 0.00 O ATOM 1590 CB LYS A 106 -59.273 86.192 0.761 1.00 0.00 C ATOM 1591 CG LYS A 106 -58.528 84.932 0.416 1.00 0.00 C ATOM 1592 CD LYS A 106 -59.300 84.072 -0.554 1.00 0.00 C ATOM 1593 CE LYS A 106 -58.467 82.886 -0.974 1.00 0.00 C ATOM 1594 NZ LYS A 106 -59.117 82.088 -2.022 1.00 0.00 N1+ ATOM 1595 OXT LYS A 106 -60.464 88.067 2.444 1.00 0.00 O ATOM 0 H LYS A 106 -58.423 85.904 3.204 1.00 0.00 H new ATOM 0 HA LYS A 106 -57.662 87.577 0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -60.166 85.932 1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -59.608 86.670 -0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -57.561 85.188 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -58.331 84.366 1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -60.226 83.730 -0.091 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -59.579 84.658 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -57.499 83.235 -1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -58.276 82.254 -0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -58.506 81.286 -2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -60.029 81.732 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -59.277 82.681 -2.861 1.00 0.00 H new