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= 0.24 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.399 K(o=0.64,f=-2.9!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 1.05 (180deg=0.979) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.855 K(o=-0.85,f=-4.8!) USER MOD Single : A 32 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.019) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot -59:sc= 0.634 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.718 K(o=-0.72,f=-1.7!) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.145 F(o=-1.4,f=-0.14) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 157:sc= 0.611 USER MOD Single : A 64 CYS SG : rot -83:sc= -0.071 USER MOD Single : A 69 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.5!) 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= -0.294 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot -93:sc= -1.83! USER MOD Single : A 90 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 96 GLN : amide:sc= -0.997 X(o=-1,f=-1.1) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 283 N THR A 19 -56.025 92.542 24.949 1.00 0.00 N ATOM 284 CA THR A 19 -56.027 92.042 23.628 1.00 0.00 C ATOM 285 C THR A 19 -56.099 93.208 22.654 1.00 0.00 C ATOM 286 O THR A 19 -56.977 94.085 22.777 1.00 0.00 O ATOM 287 CB THR A 19 -57.245 91.133 23.424 1.00 0.00 C ATOM 288 OG1 THR A 19 -57.278 90.115 24.455 1.00 0.00 O ATOM 289 CG2 THR A 19 -57.207 90.474 22.055 1.00 0.00 C ATOM 0 HA THR A 19 -55.116 91.470 23.453 1.00 0.00 H new ATOM 0 HB THR A 19 -58.144 91.746 23.488 1.00 0.00 H new ATOM 0 HG1 THR A 19 -58.059 89.538 24.320 1.00 0.00 H new ATOM 0 HG21 THR A 19 -58.081 89.834 21.935 1.00 0.00 H new ATOM 0 HG22 THR A 19 -57.210 91.242 21.281 1.00 0.00 H new ATOM 0 HG23 THR A 19 -56.302 89.872 21.966 1.00 0.00 H new ATOM 297 N TRP A 20 -55.162 93.255 21.749 1.00 0.00 N ATOM 298 CA TRP A 20 -55.173 94.241 20.710 1.00 0.00 C ATOM 299 C TRP A 20 -56.006 93.699 19.599 1.00 0.00 C ATOM 300 O TRP A 20 -55.768 92.598 19.150 1.00 0.00 O ATOM 301 CB TRP A 20 -53.764 94.514 20.212 1.00 0.00 C ATOM 302 CG TRP A 20 -52.880 95.141 21.231 1.00 0.00 C ATOM 303 CD1 TRP A 20 -52.122 94.510 22.168 1.00 0.00 C ATOM 304 CD2 TRP A 20 -52.660 96.533 21.408 1.00 0.00 C ATOM 305 NE1 TRP A 20 -51.440 95.437 22.914 1.00 0.00 N ATOM 306 CE2 TRP A 20 -51.753 96.684 22.467 1.00 0.00 C ATOM 307 CE3 TRP A 20 -53.145 97.667 20.770 1.00 0.00 C ATOM 308 CZ2 TRP A 20 -51.318 97.927 22.902 1.00 0.00 C ATOM 309 CZ3 TRP A 20 -52.715 98.892 21.204 1.00 0.00 C ATOM 310 CH2 TRP A 20 -51.809 99.017 22.259 1.00 0.00 C ATOM 0 H TRP A 20 -54.371 92.611 21.712 1.00 0.00 H new ATOM 0 HA TRP A 20 -55.579 95.181 21.085 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -53.316 93.576 19.883 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -53.816 95.165 19.339 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -52.066 93.440 22.304 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -50.801 95.226 23.681 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -53.844 97.585 19.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -50.618 98.024 23.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -53.085 99.783 20.719 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -51.492 100.002 22.570 1.00 0.00 H new ATOM 321 N TYR A 21 -56.981 94.420 19.187 1.00 0.00 N ATOM 322 CA TYR A 21 -57.858 93.941 18.172 1.00 0.00 C ATOM 323 C TYR A 21 -58.106 95.010 17.139 1.00 0.00 C ATOM 324 O TYR A 21 -58.016 96.218 17.429 1.00 0.00 O ATOM 325 CB TYR A 21 -59.195 93.460 18.786 1.00 0.00 C ATOM 326 CG TYR A 21 -60.044 94.559 19.419 1.00 0.00 C ATOM 327 CD1 TYR A 21 -59.793 95.014 20.706 1.00 0.00 C ATOM 328 CD2 TYR A 21 -61.093 95.139 18.716 1.00 0.00 C ATOM 329 CE1 TYR A 21 -60.562 96.013 21.271 1.00 0.00 C ATOM 330 CE2 TYR A 21 -61.862 96.135 19.275 1.00 0.00 C ATOM 331 CZ TYR A 21 -61.592 96.569 20.552 1.00 0.00 C ATOM 332 OH TYR A 21 -62.371 97.564 21.122 1.00 0.00 O ATOM 0 H TYR A 21 -57.198 95.353 19.537 1.00 0.00 H new ATOM 0 HA TYR A 21 -57.381 93.092 17.682 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -59.781 92.972 18.007 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -58.980 92.706 19.543 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -58.984 94.580 21.275 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -61.309 94.802 17.713 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -60.354 96.355 22.274 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -62.674 96.574 18.713 1.00 0.00 H new ATOM 0 HH TYR A 21 -63.055 97.851 20.482 1.00 0.00 H new ATOM 342 N LYS A 22 -58.372 94.581 15.950 1.00 0.00 N ATOM 343 CA LYS A 22 -58.755 95.462 14.895 1.00 0.00 C ATOM 344 C LYS A 22 -59.928 94.838 14.162 1.00 0.00 C ATOM 345 O LYS A 22 -60.005 93.601 14.035 1.00 0.00 O ATOM 346 CB LYS A 22 -57.608 95.745 13.896 1.00 0.00 C ATOM 347 CG LYS A 22 -57.135 94.521 13.160 1.00 0.00 C ATOM 348 CD LYS A 22 -56.170 94.849 12.030 1.00 0.00 C ATOM 349 CE LYS A 22 -55.711 93.569 11.345 1.00 0.00 C ATOM 350 NZ LYS A 22 -54.966 93.809 10.097 1.00 0.00 N1+ ATOM 0 H LYS A 22 -58.329 93.598 15.680 1.00 0.00 H new ATOM 0 HA LYS A 22 -59.024 96.422 15.337 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -57.943 96.487 13.172 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -56.767 96.182 14.435 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -56.648 93.845 13.863 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -57.997 93.991 12.754 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -56.655 95.504 11.306 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -55.309 95.390 12.422 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -55.082 93.003 12.032 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -56.581 92.950 11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -54.653 92.900 9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -55.582 94.293 9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -54.136 94.403 10.297 1.00 0.00 H new ATOM 364 N PRO A 23 -60.860 95.651 13.719 1.00 0.00 N ATOM 365 CA PRO A 23 -61.984 95.183 12.938 1.00 0.00 C ATOM 366 C PRO A 23 -61.531 94.910 11.501 1.00 0.00 C ATOM 367 O PRO A 23 -61.132 95.829 10.772 1.00 0.00 O ATOM 368 CB PRO A 23 -62.963 96.364 12.989 1.00 0.00 C ATOM 369 CG PRO A 23 -62.103 97.573 13.194 1.00 0.00 C ATOM 370 CD PRO A 23 -60.875 97.101 13.931 1.00 0.00 C ATOM 0 HA PRO A 23 -62.424 94.257 13.308 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -63.537 96.440 12.066 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -63.680 96.247 13.802 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -61.833 98.024 12.239 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -62.632 98.333 13.768 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -59.972 97.569 13.540 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -60.928 97.347 14.991 1.00 0.00 H new ATOM 378 N GLU A 24 -61.542 93.668 11.099 1.00 0.00 N ATOM 379 CA GLU A 24 -61.090 93.340 9.778 1.00 0.00 C ATOM 380 C GLU A 24 -61.849 92.160 9.242 1.00 0.00 C ATOM 381 O GLU A 24 -61.869 91.099 9.845 1.00 0.00 O ATOM 382 CB GLU A 24 -59.583 93.079 9.796 1.00 0.00 C ATOM 383 CG GLU A 24 -58.973 92.843 8.420 1.00 0.00 C ATOM 384 CD GLU A 24 -57.483 93.010 8.429 1.00 0.00 C ATOM 385 OE1 GLU A 24 -57.014 94.169 8.350 1.00 0.00 O ATOM 386 OE2 GLU A 24 -56.748 92.031 8.548 1.00 0.00 O1- ATOM 0 H GLU A 24 -61.855 92.876 11.661 1.00 0.00 H new ATOM 0 HA GLU A 24 -61.281 94.181 9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -59.084 93.929 10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -59.384 92.210 10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -59.223 91.838 8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -59.411 93.539 7.705 1.00 0.00 H new ATOM 393 N ASN A 25 -62.454 92.346 8.106 1.00 0.00 N ATOM 394 CA ASN A 25 -63.243 91.314 7.498 1.00 0.00 C ATOM 395 C ASN A 25 -62.421 90.659 6.427 1.00 0.00 C ATOM 396 O ASN A 25 -62.163 91.247 5.363 1.00 0.00 O ATOM 397 CB ASN A 25 -64.536 91.895 6.902 1.00 0.00 C ATOM 398 CG ASN A 25 -65.454 90.830 6.313 1.00 0.00 C ATOM 399 OD1 ASN A 25 -65.351 90.478 5.136 1.00 0.00 O ATOM 400 ND2 ASN A 25 -66.372 90.330 7.108 1.00 0.00 N ATOM 0 H ASN A 25 -62.415 93.216 7.575 1.00 0.00 H new ATOM 0 HA ASN A 25 -63.529 90.579 8.251 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -65.073 92.441 7.678 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -64.279 92.615 6.125 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -67.025 89.630 6.756 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -66.432 90.642 8.077 1.00 0.00 H new ATOM 407 N ALA A 26 -61.979 89.479 6.696 1.00 0.00 N ATOM 408 CA ALA A 26 -61.152 88.769 5.757 1.00 0.00 C ATOM 409 C ALA A 26 -61.403 87.302 5.841 1.00 0.00 C ATOM 410 O ALA A 26 -61.961 86.804 6.833 1.00 0.00 O ATOM 411 CB ALA A 26 -59.665 89.079 5.958 1.00 0.00 C ATOM 0 H ALA A 26 -62.173 88.975 7.561 1.00 0.00 H new ATOM 0 HA ALA A 26 -61.422 89.112 4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -59.076 88.523 5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -59.495 90.147 5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -59.365 88.788 6.965 1.00 0.00 H new ATOM 417 N THR A 27 -61.032 86.621 4.813 1.00 0.00 N ATOM 418 CA THR A 27 -61.169 85.210 4.758 1.00 0.00 C ATOM 419 C THR A 27 -59.817 84.549 5.003 1.00 0.00 C ATOM 420 O THR A 27 -58.857 84.784 4.279 1.00 0.00 O ATOM 421 CB THR A 27 -61.712 84.791 3.398 1.00 0.00 C ATOM 422 OG1 THR A 27 -62.942 85.478 3.142 1.00 0.00 O ATOM 423 CG2 THR A 27 -61.931 83.300 3.328 1.00 0.00 C ATOM 0 H THR A 27 -60.620 87.035 3.977 1.00 0.00 H new ATOM 0 HA THR A 27 -61.868 84.891 5.531 1.00 0.00 H new ATOM 0 HB THR A 27 -60.976 85.056 2.639 1.00 0.00 H new ATOM 0 HG1 THR A 27 -63.290 85.210 2.266 1.00 0.00 H new ATOM 0 HG21 THR A 27 -62.319 83.035 2.344 1.00 0.00 H new ATOM 0 HG22 THR A 27 -60.985 82.785 3.496 1.00 0.00 H new ATOM 0 HG23 THR A 27 -62.648 83.001 4.093 1.00 0.00 H new ATOM 431 N PHE A 28 -59.763 83.742 6.000 1.00 0.00 N ATOM 432 CA PHE A 28 -58.592 83.023 6.338 1.00 0.00 C ATOM 433 C PHE A 28 -58.714 81.631 5.797 1.00 0.00 C ATOM 434 O PHE A 28 -59.576 80.863 6.206 1.00 0.00 O ATOM 435 CB PHE A 28 -58.380 82.993 7.860 1.00 0.00 C ATOM 436 CG PHE A 28 -57.267 82.080 8.312 1.00 0.00 C ATOM 437 CD1 PHE A 28 -57.554 80.900 8.983 1.00 0.00 C ATOM 438 CD2 PHE A 28 -55.946 82.390 8.053 1.00 0.00 C ATOM 439 CE1 PHE A 28 -56.546 80.054 9.384 1.00 0.00 C ATOM 440 CE2 PHE A 28 -54.933 81.547 8.453 1.00 0.00 C ATOM 441 CZ PHE A 28 -55.234 80.376 9.119 1.00 0.00 C ATOM 0 H PHE A 28 -60.553 83.560 6.619 1.00 0.00 H new ATOM 0 HA PHE A 28 -57.726 83.518 5.899 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -58.168 84.005 8.206 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -59.308 82.680 8.339 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -58.582 80.642 9.193 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -55.705 83.304 7.531 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -56.784 79.139 9.906 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -53.904 81.802 8.246 1.00 0.00 H new ATOM 0 HZ PHE A 28 -54.441 79.713 9.432 1.00 0.00 H new ATOM 451 N VAL A 29 -57.911 81.334 4.845 1.00 0.00 N ATOM 452 CA VAL A 29 -57.865 80.015 4.302 1.00 0.00 C ATOM 453 C VAL A 29 -56.726 79.326 4.983 1.00 0.00 C ATOM 454 O VAL A 29 -55.590 79.698 4.765 1.00 0.00 O ATOM 455 CB VAL A 29 -57.631 80.034 2.768 1.00 0.00 C ATOM 456 CG1 VAL A 29 -57.545 78.634 2.199 1.00 0.00 C ATOM 457 CG2 VAL A 29 -58.730 80.808 2.071 1.00 0.00 C ATOM 0 H VAL A 29 -57.263 81.994 4.415 1.00 0.00 H new ATOM 0 HA VAL A 29 -58.813 79.503 4.466 1.00 0.00 H new ATOM 0 HB VAL A 29 -56.677 80.530 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -57.381 78.688 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -56.716 78.102 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -58.476 78.103 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -58.548 80.810 0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -59.692 80.338 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -58.742 81.834 2.439 1.00 0.00 H new ATOM 467 N ASN A 30 -57.027 78.399 5.854 1.00 0.00 N ATOM 468 CA ASN A 30 -55.991 77.704 6.597 1.00 0.00 C ATOM 469 C ASN A 30 -55.113 76.906 5.646 1.00 0.00 C ATOM 470 O ASN A 30 -55.599 76.377 4.638 1.00 0.00 O ATOM 471 CB ASN A 30 -56.590 76.816 7.702 1.00 0.00 C ATOM 472 CG ASN A 30 -55.534 76.171 8.557 1.00 0.00 C ATOM 473 OD1 ASN A 30 -54.439 76.678 8.702 1.00 0.00 O ATOM 474 ND2 ASN A 30 -55.868 75.070 9.149 1.00 0.00 N ATOM 0 H ASN A 30 -57.979 78.103 6.071 1.00 0.00 H new ATOM 0 HA ASN A 30 -55.366 78.445 7.095 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -57.246 77.417 8.332 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -57.208 76.042 7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -55.203 74.598 9.761 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -56.797 74.674 9.003 1.00 0.00 H new ATOM 481 N GLY A 31 -53.841 76.851 5.946 1.00 0.00 N ATOM 482 CA GLY A 31 -52.894 76.212 5.094 1.00 0.00 C ATOM 483 C GLY A 31 -52.826 74.721 5.291 1.00 0.00 C ATOM 484 O GLY A 31 -53.842 74.034 5.298 1.00 0.00 O ATOM 0 H GLY A 31 -53.440 77.252 6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -53.150 76.423 4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -51.908 76.640 5.273 1.00 0.00 H new ATOM 488 N ASN A 32 -51.635 74.226 5.496 1.00 0.00 N ATOM 489 CA ASN A 32 -51.406 72.791 5.538 1.00 0.00 C ATOM 490 C ASN A 32 -51.536 72.219 6.948 1.00 0.00 C ATOM 491 O ASN A 32 -51.680 71.007 7.123 1.00 0.00 O ATOM 492 CB ASN A 32 -50.029 72.463 4.937 1.00 0.00 C ATOM 493 CG ASN A 32 -49.795 70.972 4.737 1.00 0.00 C ATOM 494 OD1 ASN A 32 -50.160 70.421 3.707 1.00 0.00 O ATOM 495 ND2 ASN A 32 -49.150 70.331 5.675 1.00 0.00 N ATOM 0 H ASN A 32 -50.798 74.792 5.638 1.00 0.00 H new ATOM 0 HA ASN A 32 -52.183 72.316 4.939 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -49.930 72.971 3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -49.252 72.861 5.590 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -48.936 69.340 5.561 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -48.860 70.821 6.521 1.00 0.00 H new ATOM 502 N GLN A 33 -51.533 73.063 7.940 1.00 0.00 N ATOM 503 CA GLN A 33 -51.606 72.596 9.306 1.00 0.00 C ATOM 504 C GLN A 33 -52.957 72.897 9.927 1.00 0.00 C ATOM 505 O GLN A 33 -53.488 73.963 9.735 1.00 0.00 O ATOM 506 CB GLN A 33 -50.526 73.236 10.168 1.00 0.00 C ATOM 507 CG GLN A 33 -50.461 74.753 10.038 1.00 0.00 C ATOM 508 CD GLN A 33 -49.718 75.403 11.165 1.00 0.00 C ATOM 509 OE1 GLN A 33 -48.497 75.587 11.121 1.00 0.00 O ATOM 510 NE2 GLN A 33 -50.445 75.777 12.167 1.00 0.00 N ATOM 0 H GLN A 33 -51.481 74.076 7.835 1.00 0.00 H new ATOM 0 HA GLN A 33 -51.456 71.517 9.271 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -50.704 72.976 11.211 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -49.558 72.815 9.896 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -49.979 75.012 9.095 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -51.474 75.153 9.999 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -51.450 75.604 12.160 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -50.013 76.245 12.964 1.00 0.00 H new ATOM 519 N PRO A 34 -53.538 71.956 10.656 1.00 0.00 N ATOM 520 CA PRO A 34 -54.756 72.208 11.410 1.00 0.00 C ATOM 521 C PRO A 34 -54.444 73.108 12.610 1.00 0.00 C ATOM 522 O PRO A 34 -53.378 72.979 13.244 1.00 0.00 O ATOM 523 CB PRO A 34 -55.198 70.826 11.871 1.00 0.00 C ATOM 524 CG PRO A 34 -53.954 70.007 11.873 1.00 0.00 C ATOM 525 CD PRO A 34 -53.071 70.574 10.795 1.00 0.00 C ATOM 0 HA PRO A 34 -55.526 72.714 10.828 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -55.647 70.865 12.864 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -55.947 70.406 11.199 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -53.460 70.053 12.844 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -54.179 68.958 11.679 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -52.019 70.533 11.076 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -53.173 70.021 9.861 1.00 0.00 H new ATOM 533 N ILE A 35 -55.333 74.010 12.928 1.00 0.00 N ATOM 534 CA ILE A 35 -55.043 74.963 13.976 1.00 0.00 C ATOM 535 C ILE A 35 -56.016 74.808 15.145 1.00 0.00 C ATOM 536 O ILE A 35 -57.205 74.716 14.946 1.00 0.00 O ATOM 537 CB ILE A 35 -55.096 76.422 13.474 1.00 0.00 C ATOM 538 CG1 ILE A 35 -54.565 76.538 12.018 1.00 0.00 C ATOM 539 CG2 ILE A 35 -54.283 77.297 14.415 1.00 0.00 C ATOM 540 CD1 ILE A 35 -54.198 77.941 11.586 1.00 0.00 C ATOM 0 H ILE A 35 -56.248 74.109 12.489 1.00 0.00 H new ATOM 0 HA ILE A 35 -54.027 74.748 14.309 1.00 0.00 H new ATOM 0 HB ILE A 35 -56.133 76.758 13.466 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -53.687 75.900 11.914 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -55.323 76.150 11.338 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -54.314 78.330 14.069 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -54.702 77.238 15.420 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -53.250 76.951 14.432 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -53.838 77.923 10.557 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -55.076 78.583 11.652 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -53.415 78.329 12.237 1.00 0.00 H new ATOM 552 N VAL A 36 -55.498 74.784 16.346 1.00 0.00 N ATOM 553 CA VAL A 36 -56.314 74.629 17.549 1.00 0.00 C ATOM 554 C VAL A 36 -56.996 75.960 17.886 1.00 0.00 C ATOM 555 O VAL A 36 -56.322 76.942 18.245 1.00 0.00 O ATOM 556 CB VAL A 36 -55.446 74.170 18.752 1.00 0.00 C ATOM 557 CG1 VAL A 36 -56.279 73.998 20.009 1.00 0.00 C ATOM 558 CG2 VAL A 36 -54.719 72.881 18.424 1.00 0.00 C ATOM 0 H VAL A 36 -54.499 74.871 16.530 1.00 0.00 H new ATOM 0 HA VAL A 36 -57.069 73.867 17.356 1.00 0.00 H new ATOM 0 HB VAL A 36 -54.711 74.952 18.943 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -55.638 73.676 20.829 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -56.749 74.947 20.267 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -57.050 73.247 19.835 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -54.116 72.576 19.279 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -55.446 72.101 18.195 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -54.072 73.038 17.561 1.00 0.00 H new ATOM 568 N THR A 37 -58.300 75.988 17.769 1.00 0.00 N ATOM 569 CA THR A 37 -59.072 77.186 17.965 1.00 0.00 C ATOM 570 C THR A 37 -59.476 77.337 19.444 1.00 0.00 C ATOM 571 O THR A 37 -59.537 76.345 20.190 1.00 0.00 O ATOM 572 CB THR A 37 -60.325 77.156 17.055 1.00 0.00 C ATOM 573 OG1 THR A 37 -61.162 76.045 17.402 1.00 0.00 O ATOM 574 CG2 THR A 37 -59.915 77.014 15.594 1.00 0.00 C ATOM 0 H THR A 37 -58.860 75.169 17.532 1.00 0.00 H new ATOM 0 HA THR A 37 -58.461 78.048 17.695 1.00 0.00 H new ATOM 0 HB THR A 37 -60.869 78.090 17.197 1.00 0.00 H new ATOM 0 HG1 THR A 37 -60.660 75.211 17.293 1.00 0.00 H new ATOM 0 HG21 THR A 37 -60.806 76.994 14.966 1.00 0.00 H new ATOM 0 HG22 THR A 37 -59.288 77.859 15.308 1.00 0.00 H new ATOM 0 HG23 THR A 37 -59.357 76.087 15.461 1.00 0.00 H new ATOM 582 N ARG A 38 -59.751 78.556 19.863 1.00 0.00 N ATOM 583 CA ARG A 38 -60.097 78.852 21.253 1.00 0.00 C ATOM 584 C ARG A 38 -61.396 79.614 21.281 1.00 0.00 C ATOM 585 O ARG A 38 -61.750 80.243 20.301 1.00 0.00 O ATOM 586 CB ARG A 38 -59.001 79.693 21.916 1.00 0.00 C ATOM 587 CG ARG A 38 -57.625 79.055 21.903 1.00 0.00 C ATOM 588 CD ARG A 38 -57.588 77.775 22.701 1.00 0.00 C ATOM 589 NE ARG A 38 -56.286 77.122 22.599 1.00 0.00 N ATOM 590 CZ ARG A 38 -55.789 76.263 23.484 1.00 0.00 C ATOM 591 NH1 ARG A 38 -56.417 76.035 24.640 1.00 0.00 N1+ ATOM 592 NH2 ARG A 38 -54.638 75.658 23.224 1.00 0.00 N ATOM 0 H ARG A 38 -59.743 79.375 19.255 1.00 0.00 H new ATOM 0 HA ARG A 38 -60.195 77.915 21.801 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -58.945 80.658 21.411 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -59.287 79.890 22.949 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -57.330 78.849 20.874 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -56.896 79.757 22.309 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -57.808 77.990 23.747 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -58.365 77.099 22.344 1.00 0.00 H new ATOM 0 HE ARG A 38 -55.713 77.342 21.785 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -57.288 76.522 24.852 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -56.026 75.374 25.311 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -54.144 75.854 22.353 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -54.246 74.997 23.895 1.00 0.00 H new ATOM 606 N ILE A 39 -62.107 79.563 22.378 1.00 0.00 N ATOM 607 CA ILE A 39 -63.394 80.221 22.454 1.00 0.00 C ATOM 608 C ILE A 39 -63.465 81.251 23.585 1.00 0.00 C ATOM 609 O ILE A 39 -62.943 81.035 24.675 1.00 0.00 O ATOM 610 CB ILE A 39 -64.549 79.187 22.591 1.00 0.00 C ATOM 611 CG1 ILE A 39 -64.508 78.208 21.413 1.00 0.00 C ATOM 612 CG2 ILE A 39 -65.898 79.895 22.650 1.00 0.00 C ATOM 613 CD1 ILE A 39 -65.615 77.184 21.404 1.00 0.00 C ATOM 0 H ILE A 39 -61.822 79.077 23.228 1.00 0.00 H new ATOM 0 HA ILE A 39 -63.516 80.762 21.516 1.00 0.00 H new ATOM 0 HB ILE A 39 -64.418 78.631 23.519 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -64.551 78.777 20.484 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -63.550 77.687 21.424 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -66.693 79.156 22.746 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -65.920 80.565 23.510 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -66.047 80.471 21.737 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -65.504 76.536 20.535 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -65.563 76.584 22.313 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -66.579 77.691 21.358 1.00 0.00 H new ATOM 625 N GLY A 40 -64.034 82.412 23.263 1.00 0.00 N ATOM 626 CA GLY A 40 -64.328 83.463 24.224 1.00 0.00 C ATOM 627 C GLY A 40 -63.163 84.367 24.497 1.00 0.00 C ATOM 628 O GLY A 40 -63.309 85.556 24.736 1.00 0.00 O ATOM 0 H GLY A 40 -64.307 82.648 22.309 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -65.162 84.060 23.854 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -64.652 83.008 25.160 1.00 0.00 H new ATOM 632 N SER A 41 -62.034 83.805 24.486 1.00 0.00 N ATOM 633 CA SER A 41 -60.808 84.493 24.802 1.00 0.00 C ATOM 634 C SER A 41 -59.668 84.068 23.859 1.00 0.00 C ATOM 635 O SER A 41 -59.552 82.890 23.528 1.00 0.00 O ATOM 636 CB SER A 41 -60.454 84.258 26.275 1.00 0.00 C ATOM 637 OG SER A 41 -61.492 84.759 27.121 1.00 0.00 O ATOM 0 H SER A 41 -61.903 82.821 24.253 1.00 0.00 H new ATOM 0 HA SER A 41 -60.950 85.563 24.650 1.00 0.00 H new ATOM 0 HB2 SER A 41 -60.310 83.193 26.456 1.00 0.00 H new ATOM 0 HB3 SER A 41 -59.512 84.752 26.513 1.00 0.00 H new ATOM 0 HG SER A 41 -61.255 84.601 28.059 1.00 0.00 H new ATOM 643 N PRO A 42 -58.821 85.009 23.405 1.00 0.00 N ATOM 644 CA PRO A 42 -57.681 84.697 22.542 1.00 0.00 C ATOM 645 C PRO A 42 -56.446 84.326 23.369 1.00 0.00 C ATOM 646 O PRO A 42 -55.375 84.895 23.215 1.00 0.00 O ATOM 647 CB PRO A 42 -57.447 86.004 21.778 1.00 0.00 C ATOM 648 CG PRO A 42 -58.117 87.087 22.569 1.00 0.00 C ATOM 649 CD PRO A 42 -58.897 86.449 23.689 1.00 0.00 C ATOM 0 HA PRO A 42 -57.867 83.844 21.889 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -56.381 86.205 21.671 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -57.863 85.945 20.772 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -57.375 87.778 22.970 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -58.780 87.668 21.929 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -58.465 86.687 24.661 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -59.929 86.798 23.705 1.00 0.00 H new ATOM 657 N PHE A 43 -56.608 83.356 24.222 1.00 0.00 N ATOM 658 CA PHE A 43 -55.550 82.919 25.101 1.00 0.00 C ATOM 659 C PHE A 43 -55.296 81.444 24.911 1.00 0.00 C ATOM 660 O PHE A 43 -56.174 80.708 24.469 1.00 0.00 O ATOM 661 CB PHE A 43 -55.911 83.178 26.566 1.00 0.00 C ATOM 662 CG PHE A 43 -55.901 84.624 27.010 1.00 0.00 C ATOM 663 CD1 PHE A 43 -54.867 85.107 27.795 1.00 0.00 C ATOM 664 CD2 PHE A 43 -56.924 85.484 26.665 1.00 0.00 C ATOM 665 CE1 PHE A 43 -54.860 86.419 28.229 1.00 0.00 C ATOM 666 CE2 PHE A 43 -56.924 86.799 27.090 1.00 0.00 C ATOM 667 CZ PHE A 43 -55.890 87.265 27.875 1.00 0.00 C ATOM 0 H PHE A 43 -57.481 82.840 24.332 1.00 0.00 H new ATOM 0 HA PHE A 43 -54.653 83.486 24.852 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -56.904 82.769 26.752 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -55.215 82.622 27.194 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -54.056 84.450 28.071 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -57.738 85.123 26.053 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -54.050 86.781 28.844 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -57.731 87.459 26.808 1.00 0.00 H new ATOM 0 HZ PHE A 43 -55.887 88.291 28.212 1.00 0.00 H new ATOM 677 N LEU A 44 -54.114 81.012 25.280 1.00 0.00 N ATOM 678 CA LEU A 44 -53.721 79.611 25.180 1.00 0.00 C ATOM 679 C LEU A 44 -54.356 78.803 26.308 1.00 0.00 C ATOM 680 O LEU A 44 -54.350 77.574 26.301 1.00 0.00 O ATOM 681 CB LEU A 44 -52.197 79.480 25.230 1.00 0.00 C ATOM 682 CG LEU A 44 -51.422 80.272 24.172 1.00 0.00 C ATOM 683 CD1 LEU A 44 -49.938 80.027 24.312 1.00 0.00 C ATOM 684 CD2 LEU A 44 -51.896 79.916 22.772 1.00 0.00 C ATOM 0 H LEU A 44 -53.388 81.619 25.661 1.00 0.00 H new ATOM 0 HA LEU A 44 -54.073 79.219 24.226 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -51.857 79.798 26.215 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -51.939 78.426 25.128 1.00 0.00 H new ATOM 0 HG LEU A 44 -51.613 81.333 24.332 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -49.402 80.597 23.553 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -49.609 80.342 25.302 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -49.731 78.965 24.182 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -51.331 80.491 22.039 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -51.741 78.852 22.595 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -52.956 80.149 22.677 1.00 0.00 H new ATOM 696 N ASN A 45 -54.869 79.510 27.289 1.00 0.00 N ATOM 697 CA ASN A 45 -55.544 78.897 28.427 1.00 0.00 C ATOM 698 C ASN A 45 -57.055 78.913 28.221 1.00 0.00 C ATOM 699 O ASN A 45 -57.811 78.513 29.095 1.00 0.00 O ATOM 700 CB ASN A 45 -55.189 79.622 29.745 1.00 0.00 C ATOM 701 CG ASN A 45 -55.662 81.075 29.794 1.00 0.00 C ATOM 702 OD1 ASN A 45 -54.944 81.992 29.380 1.00 0.00 O ATOM 703 ND2 ASN A 45 -56.844 81.302 30.312 1.00 0.00 N ATOM 0 H ASN A 45 -54.834 80.529 27.327 1.00 0.00 H new ATOM 0 HA ASN A 45 -55.202 77.865 28.499 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -55.631 79.077 30.579 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -54.108 79.596 29.884 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -57.195 82.257 30.382 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -57.413 80.524 30.645 1.00 0.00 H new ATOM 710 N ALA A 46 -57.483 79.372 27.066 1.00 0.00 N ATOM 711 CA ALA A 46 -58.896 79.466 26.757 1.00 0.00 C ATOM 712 C ALA A 46 -59.408 78.119 26.241 1.00 0.00 C ATOM 713 O ALA A 46 -58.614 77.322 25.713 1.00 0.00 O ATOM 714 CB ALA A 46 -59.122 80.564 25.730 1.00 0.00 C ATOM 0 H ALA A 46 -56.867 79.689 26.317 1.00 0.00 H new ATOM 0 HA ALA A 46 -59.452 79.718 27.660 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -60.185 80.633 25.499 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -58.776 81.516 26.133 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -58.568 80.332 24.821 1.00 0.00 H new ATOM 720 N PRO A 47 -60.728 77.838 26.383 1.00 0.00 N ATOM 721 CA PRO A 47 -61.326 76.569 25.951 1.00 0.00 C ATOM 722 C PRO A 47 -61.102 76.299 24.473 1.00 0.00 C ATOM 723 O PRO A 47 -61.222 77.199 23.631 1.00 0.00 O ATOM 724 CB PRO A 47 -62.826 76.751 26.229 1.00 0.00 C ATOM 725 CG PRO A 47 -63.015 78.215 26.405 1.00 0.00 C ATOM 726 CD PRO A 47 -61.743 78.719 26.997 1.00 0.00 C ATOM 0 HA PRO A 47 -60.883 75.722 26.475 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -63.428 76.373 25.403 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -63.130 76.205 27.122 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -63.222 78.700 25.451 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -63.861 78.424 27.059 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -61.570 79.767 26.753 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -61.743 78.640 28.084 1.00 0.00 H new ATOM 734 N VAL A 48 -60.761 75.076 24.174 1.00 0.00 N ATOM 735 CA VAL A 48 -60.491 74.655 22.832 1.00 0.00 C ATOM 736 C VAL A 48 -61.798 74.438 22.091 1.00 0.00 C ATOM 737 O VAL A 48 -62.671 73.673 22.539 1.00 0.00 O ATOM 738 CB VAL A 48 -59.668 73.340 22.810 1.00 0.00 C ATOM 739 CG1 VAL A 48 -59.358 72.893 21.392 1.00 0.00 C ATOM 740 CG2 VAL A 48 -58.389 73.470 23.624 1.00 0.00 C ATOM 0 H VAL A 48 -60.662 74.335 24.868 1.00 0.00 H new ATOM 0 HA VAL A 48 -59.909 75.437 22.344 1.00 0.00 H new ATOM 0 HB VAL A 48 -60.287 72.571 23.273 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -58.781 71.969 21.420 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -60.290 72.723 20.852 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -58.781 73.666 20.885 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -57.837 72.531 23.587 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -57.774 74.269 23.210 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -58.639 73.703 24.659 1.00 0.00 H new ATOM 750 N GLY A 49 -61.935 75.108 20.983 1.00 0.00 N ATOM 751 CA GLY A 49 -63.104 74.952 20.161 1.00 0.00 C ATOM 752 C GLY A 49 -62.974 73.727 19.303 1.00 0.00 C ATOM 753 O GLY A 49 -63.966 73.112 18.898 1.00 0.00 O ATOM 0 H GLY A 49 -61.248 75.772 20.625 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -63.991 74.873 20.789 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -63.236 75.833 19.533 1.00 0.00 H new ATOM 757 N GLY A 50 -61.753 73.372 19.046 1.00 0.00 N ATOM 758 CA GLY A 50 -61.439 72.226 18.267 1.00 0.00 C ATOM 759 C GLY A 50 -60.285 72.548 17.390 1.00 0.00 C ATOM 760 O GLY A 50 -59.692 73.614 17.523 1.00 0.00 O ATOM 0 H GLY A 50 -60.936 73.883 19.380 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -61.198 71.383 18.915 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -62.299 71.930 17.666 1.00 0.00 H new ATOM 764 N ASN A 51 -59.898 71.651 16.565 1.00 0.00 N ATOM 765 CA ASN A 51 -58.888 71.963 15.601 1.00 0.00 C ATOM 766 C ASN A 51 -59.567 72.343 14.325 1.00 0.00 C ATOM 767 O ASN A 51 -60.521 71.682 13.898 1.00 0.00 O ATOM 768 CB ASN A 51 -57.889 70.806 15.336 1.00 0.00 C ATOM 769 CG ASN A 51 -56.903 70.487 16.473 1.00 0.00 C ATOM 770 OD1 ASN A 51 -57.339 70.554 17.707 1.00 0.00 O flip ATOM 771 ND2 ASN A 51 -55.749 70.115 16.214 1.00 0.00 N flip ATOM 0 H ASN A 51 -60.256 70.697 16.529 1.00 0.00 H new ATOM 0 HA ASN A 51 -58.292 72.781 16.006 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -58.460 69.904 15.114 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -57.314 71.047 14.442 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -55.433 70.071 15.245 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -55.116 69.853 16.970 1.00 0.00 H new ATOM 778 N LEU A 52 -59.166 73.435 13.778 1.00 0.00 N ATOM 779 CA LEU A 52 -59.618 73.859 12.495 1.00 0.00 C ATOM 780 C LEU A 52 -58.889 73.042 11.474 1.00 0.00 C ATOM 781 O LEU A 52 -57.659 72.978 11.512 1.00 0.00 O ATOM 782 CB LEU A 52 -59.285 75.323 12.260 1.00 0.00 C ATOM 783 CG LEU A 52 -59.710 75.856 10.903 1.00 0.00 C ATOM 784 CD1 LEU A 52 -61.191 76.134 10.857 1.00 0.00 C ATOM 785 CD2 LEU A 52 -58.901 77.052 10.495 1.00 0.00 C ATOM 0 H LEU A 52 -58.502 74.073 14.216 1.00 0.00 H new ATOM 0 HA LEU A 52 -60.699 73.732 12.428 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -59.763 75.920 13.037 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -58.209 75.460 12.369 1.00 0.00 H new ATOM 0 HG LEU A 52 -59.508 75.075 10.170 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -61.459 76.514 9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -61.740 75.213 11.053 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -61.446 76.876 11.614 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -59.236 77.402 9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -59.030 77.847 11.230 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -57.848 76.777 10.439 1.00 0.00 H new ATOM 797 N PRO A 53 -59.608 72.394 10.577 1.00 0.00 N ATOM 798 CA PRO A 53 -58.999 71.586 9.553 1.00 0.00 C ATOM 799 C PRO A 53 -58.083 72.399 8.642 1.00 0.00 C ATOM 800 O PRO A 53 -58.294 73.609 8.423 1.00 0.00 O ATOM 801 CB PRO A 53 -60.163 71.045 8.745 1.00 0.00 C ATOM 802 CG PRO A 53 -61.393 71.737 9.210 1.00 0.00 C ATOM 803 CD PRO A 53 -61.079 72.385 10.510 1.00 0.00 C ATOM 0 HA PRO A 53 -58.376 70.808 9.994 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -60.004 71.220 7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -60.255 69.967 8.881 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -61.714 72.480 8.480 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -62.212 71.027 9.324 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -61.484 73.396 10.557 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -61.510 71.830 11.343 1.00 0.00 H new ATOM 811 N ALA A 54 -57.053 71.764 8.149 1.00 0.00 N ATOM 812 CA ALA A 54 -56.169 72.395 7.211 1.00 0.00 C ATOM 813 C ALA A 54 -56.915 72.588 5.898 1.00 0.00 C ATOM 814 O ALA A 54 -57.600 71.671 5.429 1.00 0.00 O ATOM 815 CB ALA A 54 -54.931 71.549 7.015 1.00 0.00 C ATOM 0 H ALA A 54 -56.806 70.803 8.385 1.00 0.00 H new ATOM 0 HA ALA A 54 -55.849 73.366 7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -54.267 72.036 6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -54.416 71.431 7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -55.217 70.569 6.634 1.00 0.00 H new ATOM 821 N GLY A 55 -56.826 73.761 5.340 1.00 0.00 N ATOM 822 CA GLY A 55 -57.534 74.056 4.120 1.00 0.00 C ATOM 823 C GLY A 55 -58.915 74.643 4.360 1.00 0.00 C ATOM 824 O GLY A 55 -59.665 74.896 3.407 1.00 0.00 O ATOM 0 H GLY A 55 -56.270 74.533 5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -56.946 74.756 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -57.631 73.143 3.533 1.00 0.00 H new ATOM 828 N ALA A 56 -59.269 74.858 5.615 1.00 0.00 N ATOM 829 CA ALA A 56 -60.572 75.407 5.939 1.00 0.00 C ATOM 830 C ALA A 56 -60.625 76.881 5.640 1.00 0.00 C ATOM 831 O ALA A 56 -59.643 77.599 5.793 1.00 0.00 O ATOM 832 CB ALA A 56 -60.947 75.130 7.373 1.00 0.00 C ATOM 0 H ALA A 56 -58.676 74.662 6.421 1.00 0.00 H new ATOM 0 HA ALA A 56 -61.306 74.908 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -61.929 75.555 7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -60.975 74.053 7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -60.208 75.581 8.036 1.00 0.00 H new ATOM 838 N THR A 57 -61.757 77.306 5.207 1.00 0.00 N ATOM 839 CA THR A 57 -61.992 78.638 4.805 1.00 0.00 C ATOM 840 C THR A 57 -62.808 79.358 5.896 1.00 0.00 C ATOM 841 O THR A 57 -63.982 79.062 6.116 1.00 0.00 O ATOM 842 CB THR A 57 -62.771 78.573 3.502 1.00 0.00 C ATOM 843 OG1 THR A 57 -62.202 77.500 2.722 1.00 0.00 O ATOM 844 CG2 THR A 57 -62.601 79.839 2.730 1.00 0.00 C ATOM 0 H THR A 57 -62.577 76.706 5.121 1.00 0.00 H new ATOM 0 HA THR A 57 -61.063 79.189 4.661 1.00 0.00 H new ATOM 0 HB THR A 57 -63.830 78.420 3.710 1.00 0.00 H new ATOM 0 HG1 THR A 57 -62.681 77.425 1.870 1.00 0.00 H new ATOM 0 HG21 THR A 57 -63.165 79.776 1.799 1.00 0.00 H new ATOM 0 HG22 THR A 57 -62.968 80.678 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 57 -61.545 79.989 2.505 1.00 0.00 H new ATOM 852 N ILE A 58 -62.162 80.238 6.595 1.00 0.00 N ATOM 853 CA ILE A 58 -62.749 80.963 7.701 1.00 0.00 C ATOM 854 C ILE A 58 -63.018 82.402 7.333 1.00 0.00 C ATOM 855 O ILE A 58 -62.160 83.080 6.821 1.00 0.00 O ATOM 856 CB ILE A 58 -61.793 80.937 8.936 1.00 0.00 C ATOM 857 CG1 ILE A 58 -61.740 79.550 9.570 1.00 0.00 C ATOM 858 CG2 ILE A 58 -62.176 81.992 9.978 1.00 0.00 C ATOM 859 CD1 ILE A 58 -63.008 79.177 10.304 1.00 0.00 C ATOM 0 H ILE A 58 -61.189 80.485 6.416 1.00 0.00 H new ATOM 0 HA ILE A 58 -63.692 80.474 7.945 1.00 0.00 H new ATOM 0 HB ILE A 58 -60.797 81.182 8.568 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -61.548 78.810 8.793 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -60.901 79.508 10.265 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -61.486 81.939 10.820 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -62.124 82.983 9.528 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -63.191 81.805 10.329 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -62.902 78.179 10.730 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -63.190 79.895 11.103 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -63.847 79.187 9.609 1.00 0.00 H new ATOM 871 N VAL A 59 -64.196 82.852 7.590 1.00 0.00 N ATOM 872 CA VAL A 59 -64.491 84.247 7.460 1.00 0.00 C ATOM 873 C VAL A 59 -64.441 84.825 8.853 1.00 0.00 C ATOM 874 O VAL A 59 -65.178 84.374 9.731 1.00 0.00 O ATOM 875 CB VAL A 59 -65.883 84.490 6.829 1.00 0.00 C ATOM 876 CG1 VAL A 59 -66.195 85.983 6.758 1.00 0.00 C ATOM 877 CG2 VAL A 59 -65.940 83.870 5.445 1.00 0.00 C ATOM 0 H VAL A 59 -64.980 82.275 7.894 1.00 0.00 H new ATOM 0 HA VAL A 59 -63.768 84.722 6.797 1.00 0.00 H new ATOM 0 HB VAL A 59 -66.636 84.018 7.460 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -67.178 86.128 6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -66.187 86.404 7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -65.442 86.483 6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -66.923 84.046 5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -65.176 84.321 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -65.762 82.797 5.519 1.00 0.00 H new ATOM 887 N TYR A 60 -63.540 85.737 9.084 1.00 0.00 N ATOM 888 CA TYR A 60 -63.423 86.331 10.387 1.00 0.00 C ATOM 889 C TYR A 60 -63.738 87.793 10.311 1.00 0.00 C ATOM 890 O TYR A 60 -63.728 88.382 9.215 1.00 0.00 O ATOM 891 CB TYR A 60 -62.038 86.098 11.027 1.00 0.00 C ATOM 892 CG TYR A 60 -60.861 86.704 10.286 1.00 0.00 C ATOM 893 CD1 TYR A 60 -60.457 88.001 10.548 1.00 0.00 C ATOM 894 CD2 TYR A 60 -60.135 85.969 9.360 1.00 0.00 C ATOM 895 CE1 TYR A 60 -59.372 88.549 9.921 1.00 0.00 C ATOM 896 CE2 TYR A 60 -59.043 86.521 8.718 1.00 0.00 C ATOM 897 CZ TYR A 60 -58.667 87.812 9.011 1.00 0.00 C ATOM 898 OH TYR A 60 -57.564 88.362 8.402 1.00 0.00 O ATOM 0 H TYR A 60 -62.878 86.085 8.391 1.00 0.00 H new ATOM 0 HA TYR A 60 -64.147 85.839 11.036 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -62.053 86.502 12.039 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -61.875 85.024 11.115 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -61.010 88.593 11.262 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -60.427 84.953 9.138 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -59.073 89.562 10.145 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -58.489 85.944 7.992 1.00 0.00 H new ATOM 0 HH TYR A 60 -56.974 87.646 8.086 1.00 0.00 H new ATOM 908 N ASP A 61 -63.996 88.388 11.445 1.00 0.00 N ATOM 909 CA ASP A 61 -64.344 89.782 11.477 1.00 0.00 C ATOM 910 C ASP A 61 -63.387 90.578 12.339 1.00 0.00 C ATOM 911 O ASP A 61 -63.489 91.812 12.417 1.00 0.00 O ATOM 912 CB ASP A 61 -65.796 89.988 11.948 1.00 0.00 C ATOM 913 CG ASP A 61 -66.054 89.608 13.410 1.00 0.00 C ATOM 914 OD1 ASP A 61 -66.464 88.463 13.683 1.00 0.00 O ATOM 915 OD2 ASP A 61 -65.890 90.465 14.310 1.00 0.00 O1- ATOM 0 H ASP A 61 -63.972 87.930 12.356 1.00 0.00 H new ATOM 0 HA ASP A 61 -64.262 90.154 10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -66.065 91.035 11.806 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -66.457 89.400 11.312 1.00 0.00 H new ATOM 920 N GLU A 62 -62.418 89.923 12.927 1.00 0.00 N ATOM 921 CA GLU A 62 -61.530 90.611 13.816 1.00 0.00 C ATOM 922 C GLU A 62 -60.196 89.917 13.854 1.00 0.00 C ATOM 923 O GLU A 62 -60.125 88.710 13.668 1.00 0.00 O ATOM 924 CB GLU A 62 -62.144 90.612 15.206 1.00 0.00 C ATOM 925 CG GLU A 62 -61.424 91.453 16.228 1.00 0.00 C ATOM 926 CD GLU A 62 -62.075 91.324 17.585 1.00 0.00 C ATOM 927 OE1 GLU A 62 -61.414 90.931 18.561 1.00 0.00 O ATOM 928 OE2 GLU A 62 -63.301 91.572 17.681 1.00 0.00 O1- ATOM 0 H GLU A 62 -62.229 88.928 12.806 1.00 0.00 H new ATOM 0 HA GLU A 62 -61.381 91.633 13.469 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -63.173 90.964 15.130 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -62.184 89.585 15.568 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -60.381 91.144 16.290 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -61.429 92.497 15.915 1.00 0.00 H new ATOM 935 N VAL A 63 -59.155 90.670 14.055 1.00 0.00 N ATOM 936 CA VAL A 63 -57.846 90.111 14.259 1.00 0.00 C ATOM 937 C VAL A 63 -57.402 90.599 15.608 1.00 0.00 C ATOM 938 O VAL A 63 -57.559 91.790 15.915 1.00 0.00 O ATOM 939 CB VAL A 63 -56.815 90.571 13.202 1.00 0.00 C ATOM 940 CG1 VAL A 63 -55.541 89.765 13.299 1.00 0.00 C ATOM 941 CG2 VAL A 63 -57.379 90.524 11.804 1.00 0.00 C ATOM 0 H VAL A 63 -59.187 91.689 14.083 1.00 0.00 H new ATOM 0 HA VAL A 63 -57.902 89.025 14.181 1.00 0.00 H new ATOM 0 HB VAL A 63 -56.577 91.612 13.419 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -54.834 90.110 12.544 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -55.105 89.892 14.290 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -55.764 88.711 13.133 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -56.621 90.855 11.094 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -57.677 89.503 11.566 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -58.247 91.180 11.740 1.00 0.00 H new ATOM 951 N CYS A 64 -56.891 89.721 16.400 1.00 0.00 N ATOM 952 CA CYS A 64 -56.522 90.031 17.745 1.00 0.00 C ATOM 953 C CYS A 64 -55.060 89.645 17.969 1.00 0.00 C ATOM 954 O CYS A 64 -54.553 88.758 17.312 1.00 0.00 O ATOM 955 CB CYS A 64 -57.405 89.214 18.684 1.00 0.00 C ATOM 956 SG CYS A 64 -59.135 89.082 18.159 1.00 0.00 S ATOM 0 H CYS A 64 -56.714 88.753 16.132 1.00 0.00 H new ATOM 0 HA CYS A 64 -56.649 91.097 17.935 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -56.988 88.211 18.774 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -57.372 89.663 19.677 1.00 0.00 H new ATOM 0 HG CYS A 64 -59.786 90.142 18.538 1.00 0.00 H new ATOM 962 N ILE A 65 -54.389 90.340 18.837 1.00 0.00 N ATOM 963 CA ILE A 65 -53.045 89.993 19.233 1.00 0.00 C ATOM 964 C ILE A 65 -53.037 89.812 20.728 1.00 0.00 C ATOM 965 O ILE A 65 -53.378 90.744 21.479 1.00 0.00 O ATOM 966 CB ILE A 65 -51.992 91.064 18.823 1.00 0.00 C ATOM 967 CG1 ILE A 65 -51.994 91.246 17.304 1.00 0.00 C ATOM 968 CG2 ILE A 65 -50.590 90.664 19.315 1.00 0.00 C ATOM 969 CD1 ILE A 65 -51.016 92.277 16.799 1.00 0.00 C ATOM 0 H ILE A 65 -54.756 91.172 19.298 1.00 0.00 H new ATOM 0 HA ILE A 65 -52.762 89.076 18.717 1.00 0.00 H new ATOM 0 HB ILE A 65 -52.259 92.011 19.291 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -51.768 90.288 16.835 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -52.998 91.528 16.985 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -49.869 91.426 19.018 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -50.597 90.575 20.401 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -50.309 89.707 18.875 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -51.084 92.341 15.713 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -51.252 93.247 17.236 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -50.004 91.988 17.083 1.00 0.00 H new ATOM 981 N GLN A 66 -52.715 88.619 21.147 1.00 0.00 N ATOM 982 CA GLN A 66 -52.680 88.261 22.538 1.00 0.00 C ATOM 983 C GLN A 66 -51.827 87.018 22.698 1.00 0.00 C ATOM 984 O GLN A 66 -51.779 86.170 21.786 1.00 0.00 O ATOM 985 CB GLN A 66 -54.105 87.994 23.050 1.00 0.00 C ATOM 986 CG GLN A 66 -54.197 87.622 24.523 1.00 0.00 C ATOM 987 CD GLN A 66 -53.678 88.701 25.444 1.00 0.00 C ATOM 988 OE1 GLN A 66 -52.493 88.715 25.807 1.00 0.00 O ATOM 989 NE2 GLN A 66 -54.531 89.621 25.806 1.00 0.00 N ATOM 0 H GLN A 66 -52.465 87.855 20.520 1.00 0.00 H new ATOM 0 HA GLN A 66 -52.253 89.078 23.119 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -54.711 88.884 22.876 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -54.543 87.190 22.459 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -55.236 87.409 24.773 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -53.634 86.705 24.695 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -55.498 89.574 25.486 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -54.230 90.387 26.409 1.00 0.00 H new ATOM 998 N ALA A 67 -51.113 86.941 23.816 1.00 0.00 N ATOM 999 CA ALA A 67 -50.271 85.800 24.177 1.00 0.00 C ATOM 1000 C ALA A 67 -49.153 85.603 23.148 1.00 0.00 C ATOM 1001 O ALA A 67 -48.700 84.485 22.899 1.00 0.00 O ATOM 1002 CB ALA A 67 -51.119 84.525 24.328 1.00 0.00 C ATOM 0 H ALA A 67 -51.102 87.685 24.513 1.00 0.00 H new ATOM 0 HA ALA A 67 -49.805 86.008 25.140 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -50.474 83.689 24.597 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -51.864 84.674 25.109 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -51.621 84.308 23.385 1.00 0.00 H new ATOM 1008 N GLY A 68 -48.734 86.705 22.534 1.00 0.00 N ATOM 1009 CA GLY A 68 -47.680 86.678 21.529 1.00 0.00 C ATOM 1010 C GLY A 68 -48.141 86.055 20.223 1.00 0.00 C ATOM 1011 O GLY A 68 -47.341 85.752 19.337 1.00 0.00 O ATOM 0 H GLY A 68 -49.113 87.634 22.718 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -47.335 87.695 21.341 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -46.828 86.118 21.915 1.00 0.00 H new ATOM 1015 N HIS A 69 -49.413 85.841 20.112 1.00 0.00 N ATOM 1016 CA HIS A 69 -49.993 85.240 18.950 1.00 0.00 C ATOM 1017 C HIS A 69 -50.977 86.183 18.317 1.00 0.00 C ATOM 1018 O HIS A 69 -51.534 87.049 18.991 1.00 0.00 O ATOM 1019 CB HIS A 69 -50.680 83.909 19.301 1.00 0.00 C ATOM 1020 CG HIS A 69 -49.746 82.777 19.632 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -49.075 82.651 20.834 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -49.379 81.700 18.898 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -48.350 81.556 20.814 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -48.518 80.964 19.656 1.00 0.00 N ATOM 0 H HIS A 69 -50.090 86.082 20.836 1.00 0.00 H new ATOM 0 HA HIS A 69 -49.194 85.031 18.239 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -51.343 84.073 20.151 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -51.307 83.609 18.461 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -49.134 83.306 21.614 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -49.708 81.467 17.896 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -47.721 81.202 21.617 1.00 0.00 H new ATOM 1033 N ILE A 70 -51.164 86.038 17.039 1.00 0.00 N ATOM 1034 CA ILE A 70 -52.158 86.781 16.327 1.00 0.00 C ATOM 1035 C ILE A 70 -53.313 85.841 16.078 1.00 0.00 C ATOM 1036 O ILE A 70 -53.102 84.690 15.652 1.00 0.00 O ATOM 1037 CB ILE A 70 -51.624 87.346 14.988 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -50.403 88.231 15.247 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -52.707 88.127 14.273 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -49.894 88.986 14.035 1.00 0.00 C ATOM 0 H ILE A 70 -50.626 85.395 16.457 1.00 0.00 H new ATOM 0 HA ILE A 70 -52.463 87.644 16.918 1.00 0.00 H new ATOM 0 HB ILE A 70 -51.326 86.516 14.348 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -50.653 88.951 16.027 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -49.597 87.608 15.634 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -52.315 88.517 13.334 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -53.553 87.471 14.068 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -53.034 88.955 14.902 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -49.028 89.585 14.317 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -49.608 88.277 13.258 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -50.680 89.640 13.657 1.00 0.00 H new ATOM 1052 N TRP A 71 -54.494 86.304 16.329 1.00 0.00 N ATOM 1053 CA TRP A 71 -55.663 85.482 16.308 1.00 0.00 C ATOM 1054 C TRP A 71 -56.673 86.114 15.431 1.00 0.00 C ATOM 1055 O TRP A 71 -56.658 87.314 15.237 1.00 0.00 O ATOM 1056 CB TRP A 71 -56.284 85.398 17.711 1.00 0.00 C ATOM 1057 CG TRP A 71 -55.378 84.914 18.793 1.00 0.00 C ATOM 1058 CD1 TRP A 71 -54.419 85.632 19.438 1.00 0.00 C ATOM 1059 CD2 TRP A 71 -55.382 83.624 19.391 1.00 0.00 C ATOM 1060 NE1 TRP A 71 -53.805 84.856 20.376 1.00 0.00 N ATOM 1061 CE2 TRP A 71 -54.380 83.617 20.375 1.00 0.00 C ATOM 1062 CE3 TRP A 71 -56.129 82.471 19.185 1.00 0.00 C ATOM 1063 CZ2 TRP A 71 -54.106 82.501 21.153 1.00 0.00 C ATOM 1064 CZ3 TRP A 71 -55.860 81.364 19.957 1.00 0.00 C ATOM 1065 CH2 TRP A 71 -54.859 81.384 20.930 1.00 0.00 C ATOM 0 H TRP A 71 -54.678 87.281 16.558 1.00 0.00 H new ATOM 0 HA TRP A 71 -55.381 84.489 15.957 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -56.651 86.387 17.985 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -57.150 84.738 17.666 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -54.179 86.666 19.236 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -53.039 85.153 20.981 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -56.905 82.444 18.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -53.330 82.515 21.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -56.435 80.462 19.807 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -54.676 80.497 21.519 1.00 0.00 H new ATOM 1076 N ILE A 72 -57.516 85.329 14.891 1.00 0.00 N ATOM 1077 CA ILE A 72 -58.632 85.831 14.178 1.00 0.00 C ATOM 1078 C ILE A 72 -59.879 85.540 14.981 1.00 0.00 C ATOM 1079 O ILE A 72 -60.074 84.414 15.464 1.00 0.00 O ATOM 1080 CB ILE A 72 -58.738 85.252 12.760 1.00 0.00 C ATOM 1081 CG1 ILE A 72 -58.782 83.718 12.799 1.00 0.00 C ATOM 1082 CG2 ILE A 72 -57.560 85.759 11.911 1.00 0.00 C ATOM 1083 CD1 ILE A 72 -59.219 83.088 11.507 1.00 0.00 C ATOM 0 H ILE A 72 -57.457 84.311 14.927 1.00 0.00 H new ATOM 0 HA ILE A 72 -58.509 86.906 14.049 1.00 0.00 H new ATOM 0 HB ILE A 72 -59.668 85.589 12.302 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -57.792 83.342 13.058 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -59.460 83.404 13.593 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -57.634 85.349 10.904 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -57.589 86.848 11.862 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -56.621 85.441 12.364 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -59.224 82.003 11.615 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -60.222 83.433 11.255 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -58.528 83.370 10.713 1.00 0.00 H new ATOM 1095 N GLY A 73 -60.674 86.541 15.163 1.00 0.00 N ATOM 1096 CA GLY A 73 -61.866 86.417 15.924 1.00 0.00 C ATOM 1097 C GLY A 73 -63.052 86.323 15.030 1.00 0.00 C ATOM 1098 O GLY A 73 -63.269 87.195 14.172 1.00 0.00 O ATOM 0 H GLY A 73 -60.511 87.474 14.784 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -61.809 85.531 16.556 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -61.971 87.276 16.587 1.00 0.00 H new ATOM 1102 N TYR A 74 -63.785 85.269 15.172 1.00 0.00 N ATOM 1103 CA TYR A 74 -64.963 85.067 14.399 1.00 0.00 C ATOM 1104 C TYR A 74 -66.020 84.424 15.251 1.00 0.00 C ATOM 1105 O TYR A 74 -65.711 83.714 16.216 1.00 0.00 O ATOM 1106 CB TYR A 74 -64.669 84.232 13.131 1.00 0.00 C ATOM 1107 CG TYR A 74 -64.053 82.866 13.372 1.00 0.00 C ATOM 1108 CD1 TYR A 74 -62.678 82.720 13.477 1.00 0.00 C ATOM 1109 CD2 TYR A 74 -64.842 81.729 13.474 1.00 0.00 C ATOM 1110 CE1 TYR A 74 -62.103 81.486 13.679 1.00 0.00 C ATOM 1111 CE2 TYR A 74 -64.279 80.488 13.678 1.00 0.00 C ATOM 1112 CZ TYR A 74 -62.907 80.369 13.779 1.00 0.00 C ATOM 1113 OH TYR A 74 -62.338 79.124 13.983 1.00 0.00 O ATOM 0 H TYR A 74 -63.581 84.519 15.833 1.00 0.00 H new ATOM 0 HA TYR A 74 -65.331 86.035 14.059 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -65.601 84.098 12.582 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -64.000 84.804 12.488 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -62.046 83.592 13.399 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -65.915 81.818 13.392 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -61.030 81.393 13.759 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -64.907 79.613 13.758 1.00 0.00 H new ATOM 0 HH TYR A 74 -63.044 78.446 14.031 1.00 0.00 H new ATOM 1203 N ARG A 81 -67.342 82.959 20.421 1.00 0.00 N ATOM 1204 CA ARG A 81 -66.259 83.761 19.882 1.00 0.00 C ATOM 1205 C ARG A 81 -65.070 82.879 19.696 1.00 0.00 C ATOM 1206 O ARG A 81 -64.373 82.584 20.641 1.00 0.00 O ATOM 1207 CB ARG A 81 -65.889 84.922 20.816 1.00 0.00 C ATOM 1208 CG ARG A 81 -65.115 86.059 20.122 1.00 0.00 C ATOM 1209 CD ARG A 81 -65.836 86.556 18.860 1.00 0.00 C ATOM 1210 NE ARG A 81 -65.277 87.818 18.326 1.00 0.00 N ATOM 1211 CZ ARG A 81 -65.521 88.323 17.091 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -66.360 87.704 16.265 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 81 -64.963 89.471 16.706 1.00 0.00 N ATOM 0 HA ARG A 81 -66.582 84.191 18.934 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -66.801 85.330 21.252 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -65.288 84.536 21.639 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -64.987 86.888 20.818 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -64.117 85.709 19.856 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -65.778 85.787 18.090 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -66.892 86.702 19.087 1.00 0.00 H new ATOM 0 HE ARG A 81 -64.658 88.351 18.936 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -66.824 86.845 16.559 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -66.539 88.089 15.338 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -64.347 89.977 17.342 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -65.152 89.843 15.775 1.00 0.00 H new ATOM 1227 N VAL A 82 -64.856 82.435 18.517 1.00 0.00 N ATOM 1228 CA VAL A 82 -63.768 81.546 18.287 1.00 0.00 C ATOM 1229 C VAL A 82 -62.595 82.316 17.772 1.00 0.00 C ATOM 1230 O VAL A 82 -62.722 83.147 16.865 1.00 0.00 O ATOM 1231 CB VAL A 82 -64.112 80.383 17.325 1.00 0.00 C ATOM 1232 CG1 VAL A 82 -62.960 79.398 17.231 1.00 0.00 C ATOM 1233 CG2 VAL A 82 -65.363 79.671 17.769 1.00 0.00 C ATOM 0 H VAL A 82 -65.413 82.667 17.694 1.00 0.00 H new ATOM 0 HA VAL A 82 -63.528 81.084 19.245 1.00 0.00 H new ATOM 0 HB VAL A 82 -64.286 80.811 16.338 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -63.227 78.590 16.549 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -62.073 79.910 16.858 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -62.752 78.986 18.218 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -65.584 78.858 17.077 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -65.215 79.266 18.770 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -66.196 80.373 17.782 1.00 0.00 H new ATOM 1243 N TYR A 83 -61.495 82.081 18.380 1.00 0.00 N ATOM 1244 CA TYR A 83 -60.267 82.681 18.013 1.00 0.00 C ATOM 1245 C TYR A 83 -59.366 81.614 17.467 1.00 0.00 C ATOM 1246 O TYR A 83 -59.157 80.581 18.102 1.00 0.00 O ATOM 1247 CB TYR A 83 -59.603 83.346 19.213 1.00 0.00 C ATOM 1248 CG TYR A 83 -60.379 84.483 19.813 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -61.296 84.263 20.821 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -60.174 85.784 19.387 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -61.984 85.303 21.390 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -60.868 86.832 19.952 1.00 0.00 C ATOM 1253 CZ TYR A 83 -61.767 86.585 20.953 1.00 0.00 C ATOM 1254 OH TYR A 83 -62.449 87.626 21.536 1.00 0.00 O ATOM 0 H TYR A 83 -61.420 81.445 19.174 1.00 0.00 H new ATOM 0 HA TYR A 83 -60.453 83.450 17.263 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -59.437 82.592 19.982 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -58.623 83.714 18.910 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -61.474 83.255 21.167 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -59.460 85.981 18.601 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -62.695 85.114 22.180 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -60.703 87.842 19.607 1.00 0.00 H new ATOM 0 HH TYR A 83 -62.182 88.469 21.114 1.00 0.00 H new ATOM 1264 N CYS A 84 -58.890 81.823 16.299 1.00 0.00 N ATOM 1265 CA CYS A 84 -57.966 80.916 15.700 1.00 0.00 C ATOM 1266 C CYS A 84 -56.650 81.636 15.557 1.00 0.00 C ATOM 1267 O CYS A 84 -56.615 82.735 15.007 1.00 0.00 O ATOM 1268 CB CYS A 84 -58.473 80.444 14.327 1.00 0.00 C ATOM 1269 SG CYS A 84 -57.393 79.257 13.490 1.00 0.00 S ATOM 0 H CYS A 84 -59.126 82.630 15.721 1.00 0.00 H new ATOM 0 HA CYS A 84 -57.852 80.030 16.324 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -59.457 79.993 14.454 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -58.602 81.314 13.683 1.00 0.00 H new ATOM 0 HG CYS A 84 -57.664 79.245 12.219 1.00 0.00 H new ATOM 1275 N PRO A 85 -55.565 81.085 16.088 1.00 0.00 N ATOM 1276 CA PRO A 85 -54.270 81.694 15.941 1.00 0.00 C ATOM 1277 C PRO A 85 -53.804 81.508 14.509 1.00 0.00 C ATOM 1278 O PRO A 85 -53.886 80.420 13.961 1.00 0.00 O ATOM 1279 CB PRO A 85 -53.386 80.944 16.944 1.00 0.00 C ATOM 1280 CG PRO A 85 -54.048 79.621 17.140 1.00 0.00 C ATOM 1281 CD PRO A 85 -55.514 79.813 16.837 1.00 0.00 C ATOM 0 HA PRO A 85 -54.253 82.766 16.135 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -52.372 80.824 16.562 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -53.309 81.489 17.885 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -53.613 78.870 16.480 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -53.908 79.267 18.161 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -55.910 78.987 16.247 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -56.106 79.865 17.751 1.00 0.00 H new ATOM 1289 N VAL A 86 -53.399 82.569 13.887 1.00 0.00 N ATOM 1290 CA VAL A 86 -53.035 82.501 12.486 1.00 0.00 C ATOM 1291 C VAL A 86 -51.561 82.720 12.253 1.00 0.00 C ATOM 1292 O VAL A 86 -51.051 82.429 11.165 1.00 0.00 O ATOM 1293 CB VAL A 86 -53.869 83.478 11.632 1.00 0.00 C ATOM 1294 CG1 VAL A 86 -55.320 83.059 11.654 1.00 0.00 C ATOM 1295 CG2 VAL A 86 -53.730 84.911 12.140 1.00 0.00 C ATOM 0 H VAL A 86 -53.308 83.492 14.313 1.00 0.00 H new ATOM 0 HA VAL A 86 -53.263 81.484 12.167 1.00 0.00 H new ATOM 0 HB VAL A 86 -53.495 83.446 10.609 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -55.908 83.750 11.050 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -55.414 82.052 11.248 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -55.687 83.072 12.680 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -54.329 85.577 11.519 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -54.078 84.967 13.172 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -52.684 85.214 12.093 1.00 0.00 H new ATOM 1305 N ARG A 87 -50.885 83.242 13.272 1.00 0.00 N ATOM 1306 CA ARG A 87 -49.459 83.506 13.239 1.00 0.00 C ATOM 1307 C ARG A 87 -49.017 84.036 14.574 1.00 0.00 C ATOM 1308 O ARG A 87 -49.849 84.261 15.455 1.00 0.00 O ATOM 1309 CB ARG A 87 -49.077 84.452 12.073 1.00 0.00 C ATOM 1310 CG ARG A 87 -49.795 85.797 12.000 1.00 0.00 C ATOM 1311 CD ARG A 87 -49.924 86.205 10.537 1.00 0.00 C ATOM 1312 NE ARG A 87 -50.437 87.569 10.302 1.00 0.00 N ATOM 1313 CZ ARG A 87 -50.180 88.282 9.177 1.00 0.00 C ATOM 1314 NH1 ARG A 87 -49.273 87.849 8.299 1.00 0.00 N1+ ATOM 1315 NH2 ARG A 87 -50.813 89.426 8.953 1.00 0.00 N ATOM 0 H ARG A 87 -51.325 83.496 14.157 1.00 0.00 H new ATOM 0 HA ARG A 87 -48.930 82.572 13.050 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -48.006 84.644 12.131 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -49.255 83.923 11.137 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -50.780 85.724 12.460 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -49.239 86.553 12.555 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -48.945 86.117 10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -50.584 85.496 10.037 1.00 0.00 H new ATOM 0 HE ARG A 87 -51.016 87.998 11.024 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -48.770 86.979 8.473 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -49.083 88.388 7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -51.495 89.772 9.628 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -50.617 89.960 8.106 1.00 0.00 H new ATOM 1329 N THR A 88 -47.744 84.193 14.753 1.00 0.00 N ATOM 1330 CA THR A 88 -47.219 84.706 15.985 1.00 0.00 C ATOM 1331 C THR A 88 -46.896 86.183 15.817 1.00 0.00 C ATOM 1332 O THR A 88 -46.922 86.697 14.689 1.00 0.00 O ATOM 1333 CB THR A 88 -45.957 83.921 16.419 1.00 0.00 C ATOM 1334 OG1 THR A 88 -44.962 83.965 15.374 1.00 0.00 O ATOM 1335 CG2 THR A 88 -46.307 82.473 16.719 1.00 0.00 C ATOM 0 H THR A 88 -47.037 83.970 14.052 1.00 0.00 H new ATOM 0 HA THR A 88 -47.969 84.586 16.767 1.00 0.00 H new ATOM 0 HB THR A 88 -45.559 84.385 17.321 1.00 0.00 H new ATOM 0 HG1 THR A 88 -44.167 83.467 15.658 1.00 0.00 H new ATOM 0 HG21 THR A 88 -45.408 81.937 17.022 1.00 0.00 H new ATOM 0 HG22 THR A 88 -47.041 82.435 17.524 1.00 0.00 H new ATOM 0 HG23 THR A 88 -46.724 82.007 15.826 1.00 0.00 H new ATOM 1343 N CYS A 89 -46.632 86.858 16.897 1.00 0.00 N ATOM 1344 CA CYS A 89 -46.277 88.241 16.851 1.00 0.00 C ATOM 1345 C CYS A 89 -45.317 88.542 17.969 1.00 0.00 C ATOM 1346 O CYS A 89 -45.600 88.254 19.139 1.00 0.00 O ATOM 1347 CB CYS A 89 -47.519 89.126 16.954 1.00 0.00 C ATOM 1348 SG CYS A 89 -47.202 90.895 16.821 1.00 0.00 S ATOM 0 H CYS A 89 -46.658 86.461 17.836 1.00 0.00 H new ATOM 0 HA CYS A 89 -45.798 88.455 15.896 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -48.219 88.837 16.170 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -48.009 88.930 17.908 1.00 0.00 H new ATOM 0 HG CYS A 89 -47.052 91.400 18.010 1.00 0.00 H new ATOM 1354 N GLN A 90 -44.176 89.069 17.620 1.00 0.00 N ATOM 1355 CA GLN A 90 -43.185 89.425 18.595 1.00 0.00 C ATOM 1356 C GLN A 90 -43.539 90.787 19.146 1.00 0.00 C ATOM 1357 O GLN A 90 -43.276 91.816 18.508 1.00 0.00 O ATOM 1358 CB GLN A 90 -41.798 89.475 17.966 1.00 0.00 C ATOM 1359 CG GLN A 90 -40.650 89.523 18.971 1.00 0.00 C ATOM 1360 CD GLN A 90 -39.276 89.631 18.312 1.00 0.00 C ATOM 1361 OE1 GLN A 90 -39.124 89.079 17.132 1.00 0.00 O flip ATOM 1362 NE2 GLN A 90 -38.352 90.216 18.877 1.00 0.00 N flip ATOM 0 H GLN A 90 -43.908 89.263 16.655 1.00 0.00 H new ATOM 0 HA GLN A 90 -43.169 88.677 19.388 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -41.670 88.600 17.328 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -41.737 90.351 17.321 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -40.794 90.374 19.637 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -40.680 88.626 19.589 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -38.500 90.636 19.795 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -37.439 90.281 18.427 1.00 0.00 H new ATOM 1371 N GLY A 91 -44.206 90.794 20.260 1.00 0.00 N ATOM 1372 CA GLY A 91 -44.576 92.025 20.884 1.00 0.00 C ATOM 1373 C GLY A 91 -45.928 92.503 20.419 1.00 0.00 C ATOM 1374 O GLY A 91 -46.532 91.917 19.513 1.00 0.00 O ATOM 0 H GLY A 91 -44.506 89.955 20.757 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -44.589 91.895 21.966 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -43.826 92.785 20.663 1.00 0.00 H new ATOM 1378 N VAL A 92 -46.393 93.558 21.008 1.00 0.00 N ATOM 1379 CA VAL A 92 -47.689 94.105 20.689 1.00 0.00 C ATOM 1380 C VAL A 92 -47.556 95.390 19.886 1.00 0.00 C ATOM 1381 O VAL A 92 -46.524 96.065 19.965 1.00 0.00 O ATOM 1382 CB VAL A 92 -48.532 94.343 21.960 1.00 0.00 C ATOM 1383 CG1 VAL A 92 -48.939 93.016 22.564 1.00 0.00 C ATOM 1384 CG2 VAL A 92 -47.768 95.181 22.977 1.00 0.00 C ATOM 0 H VAL A 92 -45.888 94.073 21.729 1.00 0.00 H new ATOM 0 HA VAL A 92 -48.211 93.370 20.076 1.00 0.00 H new ATOM 0 HB VAL A 92 -49.428 94.896 21.680 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -49.534 93.191 23.461 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -49.530 92.453 21.841 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -48.047 92.447 22.826 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -48.386 95.332 23.862 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -46.851 94.664 23.259 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -47.519 96.147 22.539 1.00 0.00 H new ATOM 1394 N PRO A 93 -48.585 95.740 19.089 1.00 0.00 N ATOM 1395 CA PRO A 93 -48.562 96.936 18.251 1.00 0.00 C ATOM 1396 C PRO A 93 -48.476 98.251 19.079 1.00 0.00 C ATOM 1397 O PRO A 93 -48.701 98.234 20.297 1.00 0.00 O ATOM 1398 CB PRO A 93 -49.866 96.844 17.452 1.00 0.00 C ATOM 1399 CG PRO A 93 -50.750 95.988 18.272 1.00 0.00 C ATOM 1400 CD PRO A 93 -49.855 95.002 18.952 1.00 0.00 C ATOM 0 HA PRO A 93 -47.678 96.973 17.615 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -50.304 97.830 17.295 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -49.697 96.409 16.467 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -51.301 96.582 19.001 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -51.488 95.481 17.650 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -50.252 94.699 19.921 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -49.732 94.095 18.361 1.00 0.00 H new ATOM 1408 N PRO A 94 -48.177 99.424 18.433 1.00 0.00 N ATOM 1409 CA PRO A 94 -48.042 99.553 16.965 1.00 0.00 C ATOM 1410 C PRO A 94 -46.853 98.786 16.400 1.00 0.00 C ATOM 1411 O PRO A 94 -46.874 98.355 15.243 1.00 0.00 O ATOM 1412 CB PRO A 94 -47.877 101.060 16.740 1.00 0.00 C ATOM 1413 CG PRO A 94 -47.333 101.580 18.025 1.00 0.00 C ATOM 1414 CD PRO A 94 -47.915 100.715 19.112 1.00 0.00 C ATOM 0 HA PRO A 94 -48.904 99.128 16.452 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -47.198 101.264 15.912 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -48.829 101.530 16.495 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -46.244 101.534 18.033 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -47.609 102.624 18.170 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -47.221 100.596 19.944 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -48.830 101.146 19.520 1.00 0.00 H new ATOM 1422 N ASN A 95 -45.857 98.550 17.225 1.00 0.00 N ATOM 1423 CA ASN A 95 -44.697 97.829 16.775 1.00 0.00 C ATOM 1424 C ASN A 95 -44.914 96.360 16.988 1.00 0.00 C ATOM 1425 O ASN A 95 -44.458 95.775 17.967 1.00 0.00 O ATOM 1426 CB ASN A 95 -43.438 98.300 17.507 1.00 0.00 C ATOM 1427 CG ASN A 95 -43.144 99.768 17.275 1.00 0.00 C ATOM 1428 OD1 ASN A 95 -43.423 100.313 16.209 1.00 0.00 O ATOM 1429 ND2 ASN A 95 -42.626 100.423 18.262 1.00 0.00 N ATOM 0 H ASN A 95 -45.830 98.845 18.201 1.00 0.00 H new ATOM 0 HA ASN A 95 -44.550 98.023 15.712 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -43.555 98.121 18.576 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -42.586 97.706 17.176 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -42.438 101.421 18.169 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -42.406 99.942 19.134 1.00 0.00 H new ATOM 1436 N GLN A 96 -45.657 95.781 16.097 1.00 0.00 N ATOM 1437 CA GLN A 96 -45.924 94.376 16.130 1.00 0.00 C ATOM 1438 C GLN A 96 -45.035 93.722 15.100 1.00 0.00 C ATOM 1439 O GLN A 96 -44.652 94.359 14.103 1.00 0.00 O ATOM 1440 CB GLN A 96 -47.404 94.113 15.813 1.00 0.00 C ATOM 1441 CG GLN A 96 -47.768 94.315 14.359 1.00 0.00 C ATOM 1442 CD GLN A 96 -49.236 94.517 14.142 1.00 0.00 C ATOM 1443 OE1 GLN A 96 -49.725 95.633 14.191 1.00 0.00 O ATOM 1444 NE2 GLN A 96 -49.941 93.455 13.874 1.00 0.00 N ATOM 0 H GLN A 96 -46.099 96.273 15.320 1.00 0.00 H new ATOM 0 HA GLN A 96 -45.720 93.966 17.119 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -47.650 93.091 16.100 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -48.019 94.772 16.426 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -47.228 95.179 13.972 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -47.438 93.449 13.785 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -49.492 92.540 13.843 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -50.942 93.539 13.695 1.00 0.00 H new ATOM 1453 N ILE A 97 -44.699 92.503 15.321 1.00 0.00 N ATOM 1454 CA ILE A 97 -43.858 91.776 14.401 1.00 0.00 C ATOM 1455 C ILE A 97 -44.516 90.442 14.104 1.00 0.00 C ATOM 1456 O ILE A 97 -44.319 89.465 14.830 1.00 0.00 O ATOM 1457 CB ILE A 97 -42.425 91.563 14.963 1.00 0.00 C ATOM 1458 CG1 ILE A 97 -41.803 92.916 15.328 1.00 0.00 C ATOM 1459 CG2 ILE A 97 -41.547 90.837 13.937 1.00 0.00 C ATOM 1460 CD1 ILE A 97 -40.506 92.843 16.092 1.00 0.00 C ATOM 0 H ILE A 97 -44.991 91.969 16.139 1.00 0.00 H new ATOM 0 HA ILE A 97 -43.751 92.360 13.487 1.00 0.00 H new ATOM 0 HB ILE A 97 -42.489 90.946 15.859 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -41.634 93.479 14.410 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -42.523 93.481 15.920 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -40.547 90.697 14.348 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -41.984 89.865 13.707 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -41.484 91.432 13.026 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -40.150 93.852 16.301 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -40.666 92.313 17.031 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -39.763 92.311 15.497 1.00 0.00 H new ATOM 1472 N PRO A 98 -45.384 90.417 13.097 1.00 0.00 N ATOM 1473 CA PRO A 98 -46.105 89.223 12.726 1.00 0.00 C ATOM 1474 C PRO A 98 -45.218 88.199 12.020 1.00 0.00 C ATOM 1475 O PRO A 98 -44.416 88.545 11.126 1.00 0.00 O ATOM 1476 CB PRO A 98 -47.219 89.722 11.795 1.00 0.00 C ATOM 1477 CG PRO A 98 -46.808 91.087 11.335 1.00 0.00 C ATOM 1478 CD PRO A 98 -45.718 91.572 12.250 1.00 0.00 C ATOM 0 HA PRO A 98 -46.488 88.702 13.603 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -47.347 89.049 10.947 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -48.174 89.760 12.319 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -46.454 91.052 10.305 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -47.658 91.770 11.358 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -44.850 91.910 11.684 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -46.055 92.417 12.851 1.00 0.00 H new ATOM 1486 N GLY A 99 -45.339 86.961 12.445 1.00 0.00 N ATOM 1487 CA GLY A 99 -44.596 85.877 11.854 1.00 0.00 C ATOM 1488 C GLY A 99 -45.298 85.314 10.636 1.00 0.00 C ATOM 1489 O GLY A 99 -46.214 85.951 10.089 1.00 0.00 O ATOM 0 H GLY A 99 -45.955 86.681 13.208 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -43.603 86.228 11.572 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -44.457 85.087 12.592 1.00 0.00 H new ATOM 1493 N VAL A 100 -44.895 84.128 10.227 1.00 0.00 N ATOM 1494 CA VAL A 100 -45.454 83.490 9.051 1.00 0.00 C ATOM 1495 C VAL A 100 -46.899 83.065 9.303 1.00 0.00 C ATOM 1496 O VAL A 100 -47.226 82.504 10.372 1.00 0.00 O ATOM 1497 CB VAL A 100 -44.590 82.271 8.575 1.00 0.00 C ATOM 1498 CG1 VAL A 100 -44.549 81.153 9.612 1.00 0.00 C ATOM 1499 CG2 VAL A 100 -45.066 81.745 7.222 1.00 0.00 C ATOM 0 H VAL A 100 -44.174 83.581 10.698 1.00 0.00 H new ATOM 0 HA VAL A 100 -45.442 84.226 8.247 1.00 0.00 H new ATOM 0 HB VAL A 100 -43.570 82.637 8.456 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -43.939 80.331 9.237 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -44.118 81.532 10.539 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -45.561 80.796 9.802 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -44.446 80.901 6.921 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -46.104 81.423 7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -44.988 82.536 6.476 1.00 0.00 H new ATOM 1509 N ALA A 101 -47.756 83.404 8.369 1.00 0.00 N ATOM 1510 CA ALA A 101 -49.141 83.043 8.424 1.00 0.00 C ATOM 1511 C ALA A 101 -49.309 81.581 8.175 1.00 0.00 C ATOM 1512 O ALA A 101 -48.634 80.995 7.326 1.00 0.00 O ATOM 1513 CB ALA A 101 -49.942 83.825 7.413 1.00 0.00 C ATOM 0 H ALA A 101 -47.502 83.945 7.542 1.00 0.00 H new ATOM 0 HA ALA A 101 -49.510 83.281 9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -50.990 83.533 7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -49.850 84.891 7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -49.566 83.617 6.411 1.00 0.00 H new ATOM 1519 N TRP A 102 -50.201 80.993 8.903 1.00 0.00 N ATOM 1520 CA TRP A 102 -50.491 79.587 8.772 1.00 0.00 C ATOM 1521 C TRP A 102 -51.594 79.356 7.751 1.00 0.00 C ATOM 1522 O TRP A 102 -52.098 78.256 7.598 1.00 0.00 O ATOM 1523 CB TRP A 102 -50.843 79.009 10.140 1.00 0.00 C ATOM 1524 CG TRP A 102 -49.724 79.151 11.130 1.00 0.00 C ATOM 1525 CD1 TRP A 102 -48.389 79.142 10.862 1.00 0.00 C ATOM 1526 CD2 TRP A 102 -49.844 79.294 12.535 1.00 0.00 C ATOM 1527 NE1 TRP A 102 -47.676 79.304 12.017 1.00 0.00 N ATOM 1528 CE2 TRP A 102 -48.549 79.394 13.061 1.00 0.00 C ATOM 1529 CE3 TRP A 102 -50.919 79.356 13.394 1.00 0.00 C ATOM 1530 CZ2 TRP A 102 -48.311 79.554 14.421 1.00 0.00 C ATOM 1531 CZ3 TRP A 102 -50.690 79.509 14.730 1.00 0.00 C ATOM 1532 CH2 TRP A 102 -49.395 79.609 15.241 1.00 0.00 C ATOM 0 H TRP A 102 -50.757 81.470 9.612 1.00 0.00 H new ATOM 0 HA TRP A 102 -49.608 79.066 8.402 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -51.730 79.511 10.525 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -51.096 77.954 10.031 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -47.956 79.024 9.880 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -46.659 79.350 12.087 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -51.928 79.285 13.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -47.307 79.631 14.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -51.530 79.554 15.408 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -49.251 79.732 16.304 1.00 0.00 H new ATOM 1543 N GLY A 103 -51.917 80.404 7.029 1.00 0.00 N ATOM 1544 CA GLY A 103 -52.926 80.344 6.017 1.00 0.00 C ATOM 1545 C GLY A 103 -52.895 81.573 5.141 1.00 0.00 C ATOM 1546 O GLY A 103 -51.876 82.278 5.095 1.00 0.00 O ATOM 0 H GLY A 103 -51.482 81.321 7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -52.778 79.454 5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -53.907 80.251 6.483 1.00 0.00 H new ATOM 1550 N VAL A 104 -53.985 81.835 4.460 1.00 0.00 N ATOM 1551 CA VAL A 104 -54.104 82.971 3.557 1.00 0.00 C ATOM 1552 C VAL A 104 -55.114 83.947 4.128 1.00 0.00 C ATOM 1553 O VAL A 104 -55.987 83.550 4.896 1.00 0.00 O ATOM 1554 CB VAL A 104 -54.548 82.530 2.109 1.00 0.00 C ATOM 1555 CG1 VAL A 104 -54.189 81.106 1.789 1.00 0.00 C ATOM 1556 CG2 VAL A 104 -55.989 82.855 1.781 1.00 0.00 C ATOM 0 H VAL A 104 -54.828 81.263 4.513 1.00 0.00 H new ATOM 0 HA VAL A 104 -53.125 83.441 3.468 1.00 0.00 H new ATOM 0 HB VAL A 104 -53.955 83.152 1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -54.522 80.865 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -53.108 80.980 1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -54.676 80.439 2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -56.216 82.520 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -56.646 82.347 2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -56.144 83.932 1.851 1.00 0.00 H new ATOM 1566 N PHE A 105 -54.989 85.193 3.769 1.00 0.00 N ATOM 1567 CA PHE A 105 -55.904 86.206 4.197 1.00 0.00 C ATOM 1568 C PHE A 105 -56.491 86.898 2.984 1.00 0.00 C ATOM 1569 O PHE A 105 -55.795 87.655 2.299 1.00 0.00 O ATOM 1570 CB PHE A 105 -55.195 87.237 5.073 1.00 0.00 C ATOM 1571 CG PHE A 105 -54.600 86.682 6.329 1.00 0.00 C ATOM 1572 CD1 PHE A 105 -53.228 86.600 6.480 1.00 0.00 C ATOM 1573 CD2 PHE A 105 -55.410 86.240 7.356 1.00 0.00 C ATOM 1574 CE1 PHE A 105 -52.679 86.091 7.631 1.00 0.00 C ATOM 1575 CE2 PHE A 105 -54.866 85.729 8.511 1.00 0.00 C ATOM 1576 CZ PHE A 105 -53.497 85.655 8.648 1.00 0.00 C ATOM 0 H PHE A 105 -54.241 85.535 3.165 1.00 0.00 H new ATOM 0 HA PHE A 105 -56.697 85.737 4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -54.404 87.709 4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -55.906 88.020 5.338 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -52.582 86.940 5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -56.483 86.296 7.251 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -51.606 86.033 7.738 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -55.510 85.387 9.308 1.00 0.00 H new ATOM 0 HZ PHE A 105 -53.066 85.255 9.554 1.00 0.00 H new ATOM 1586 N LYS A 106 -57.708 86.574 2.659 1.00 0.00 N ATOM 1587 CA LYS A 106 -58.405 87.272 1.605 1.00 0.00 C ATOM 1588 C LYS A 106 -59.079 88.464 2.239 1.00 0.00 C ATOM 1589 O LYS A 106 -60.192 88.294 2.774 1.00 0.00 O ATOM 1590 CB LYS A 106 -59.486 86.425 0.934 1.00 0.00 C ATOM 1591 CG LYS A 106 -59.062 85.052 0.452 1.00 0.00 C ATOM 1592 CD LYS A 106 -60.234 84.360 -0.229 1.00 0.00 C ATOM 1593 CE LYS A 106 -59.859 82.990 -0.749 1.00 0.00 C ATOM 1594 NZ LYS A 106 -60.994 82.327 -1.425 1.00 0.00 N1+ ATOM 1595 OXT LYS A 106 -58.488 89.557 2.268 1.00 0.00 O ATOM 0 H LYS A 106 -58.244 85.830 3.106 1.00 0.00 H new ATOM 0 HA LYS A 106 -57.680 87.540 0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -60.309 86.301 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -59.876 86.981 0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -58.227 85.142 -0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -58.713 84.453 1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -61.059 84.266 0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -60.589 84.977 -1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -59.025 83.082 -1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -59.516 82.369 0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -60.696 81.391 -1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -61.781 82.216 -0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -61.305 82.907 -2.231 1.00 0.00 H new