USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 841 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 41 ASN : amide:sc= 0.923 K(o=2.5,f=-6.6!) USER MOD Set 1.2: A 103 LYS NZ :NH3+ 168:sc= 1.55 (180deg=0.985) USER MOD Single : A 22 MET CE :methyl -143:sc= -0.134 (180deg=-0.938) USER MOD Single : A 25 GLN : amide:sc= -0.375 K(o=-0.37,f=-1.4) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.749 K(o=0.75,f=-0.71) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 0.558 (180deg=0.2) USER MOD Single : A 36 THR OG1 : rot -77:sc= 1.11 USER MOD Single : A 37 SER OG : rot -40:sc= 0.499 USER MOD Single : A 38 CYS SG : rot 24:sc= -3.2! USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.5) USER MOD Single : A 65 LYS NZ :NH3+ -137:sc= -0.0985 (180deg=-0.599) USER MOD Single : A 68 GLN : amide:sc= -1.82! C(o=-1.8!,f=-2.6!) USER MOD Single : A 69 GLN : amide:sc= 0.184 X(o=0.18,f=0) USER MOD Single : A 70 TYR OH : rot -40:sc= -1.06 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc=-0.00736 X(o=-0.0074,f=-0.0074) USER MOD Single : A 75 LYS NZ :NH3+ -125:sc= 1.15 (180deg=-0.995!) USER MOD Single : A 77 TYR OH : rot 30:sc= -0.771 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= 1.81 (180deg=1.64) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.85 K(o=-0.85,f=-3.6!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00405 USER MOD Single : A 90 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.28) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -20:sc= -0.779 USER MOD Single : A 101 MET CE :methyl -168:sc= 0 (180deg=-0.29) USER MOD Single : A 104 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 171:sc= 0.984 (180deg=0.92) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.208 K(o=-0.21,f=-0.74) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 140:sc= 1.24 (180deg=0.573) USER MOD Single : A 121 SER OG : rot -96:sc= 0.2 USER MOD Single : A 124 ASN :FLIP amide:sc= -0.689 F(o=-2.7!,f=-0.69) USER MOD Single : A 125 ASN : amide:sc= 0.0967 X(o=0.097,f=-0.32) USER MOD Single : A 126 ASN : amide:sc= -1.69! K(o=-1.7!,f=-2.6) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 307 N MET A 22 -7.298 -26.083 -11.255 1.00 71.32 N ATOM 308 CA MET A 22 -6.314 -27.161 -11.381 1.00 14.44 C ATOM 309 C MET A 22 -6.850 -28.330 -12.195 1.00 34.21 C ATOM 310 O MET A 22 -6.114 -28.936 -12.977 1.00 25.22 O ATOM 311 CB MET A 22 -5.899 -27.672 -9.994 1.00 32.01 C ATOM 312 CG MET A 22 -4.935 -26.759 -9.259 1.00 64.35 C ATOM 313 SD MET A 22 -3.314 -26.681 -10.051 1.00 62.34 S ATOM 314 CE MET A 22 -2.775 -28.389 -9.922 1.00 41.55 C ATOM 0 HA MET A 22 -5.452 -26.743 -11.901 1.00 14.44 H new ATOM 0 HB2 MET A 22 -6.793 -27.804 -9.385 1.00 32.01 H new ATOM 0 HB3 MET A 22 -5.440 -28.655 -10.103 1.00 32.01 H new ATOM 0 HG2 MET A 22 -5.358 -25.756 -9.206 1.00 64.35 H new ATOM 0 HG3 MET A 22 -4.818 -27.110 -8.234 1.00 64.35 H new ATOM 0 HE1 MET A 22 -1.703 -28.419 -9.728 1.00 41.55 H new ATOM 0 HE2 MET A 22 -3.305 -28.877 -9.104 1.00 41.55 H new ATOM 0 HE3 MET A 22 -2.989 -28.910 -10.855 1.00 41.55 H new ATOM 324 N ILE A 23 -8.122 -28.661 -12.000 1.00 11.52 N ATOM 325 CA ILE A 23 -8.692 -29.861 -12.608 1.00 62.20 C ATOM 326 C ILE A 23 -8.756 -29.720 -14.130 1.00 11.52 C ATOM 327 O ILE A 23 -9.248 -28.712 -14.650 1.00 51.53 O ATOM 328 CB ILE A 23 -10.111 -30.176 -12.072 1.00 4.53 C ATOM 329 CG1 ILE A 23 -10.199 -29.946 -10.555 1.00 14.53 C ATOM 330 CG2 ILE A 23 -10.492 -31.613 -12.414 1.00 3.25 C ATOM 331 CD1 ILE A 23 -9.211 -30.756 -9.743 1.00 12.43 C ATOM 0 H ILE A 23 -8.774 -28.121 -11.431 1.00 11.52 H new ATOM 0 HA ILE A 23 -8.033 -30.686 -12.338 1.00 62.20 H new ATOM 0 HB ILE A 23 -10.814 -29.496 -12.553 1.00 4.53 H new ATOM 0 HG12 ILE A 23 -10.038 -28.888 -10.350 1.00 14.53 H new ATOM 0 HG13 ILE A 23 -11.209 -30.186 -10.221 1.00 14.53 H new ATOM 0 HG21 ILE A 23 -11.491 -31.825 -12.033 1.00 3.25 H new ATOM 0 HG22 ILE A 23 -10.481 -31.745 -13.496 1.00 3.25 H new ATOM 0 HG23 ILE A 23 -9.777 -32.297 -11.958 1.00 3.25 H new ATOM 0 HD11 ILE A 23 -9.341 -30.533 -8.684 1.00 12.43 H new ATOM 0 HD12 ILE A 23 -9.384 -31.818 -9.914 1.00 12.43 H new ATOM 0 HD13 ILE A 23 -8.195 -30.500 -10.045 1.00 12.43 H new ATOM 343 N GLU A 24 -8.271 -30.734 -14.837 1.00 63.12 N ATOM 344 CA GLU A 24 -8.213 -30.697 -16.298 1.00 10.03 C ATOM 345 C GLU A 24 -9.301 -31.591 -16.882 1.00 51.50 C ATOM 346 O GLU A 24 -9.836 -32.442 -16.182 1.00 10.23 O ATOM 347 CB GLU A 24 -6.819 -31.132 -16.776 1.00 41.42 C ATOM 348 CG GLU A 24 -6.419 -32.535 -16.334 1.00 40.21 C ATOM 349 CD GLU A 24 -4.940 -32.653 -15.998 1.00 32.25 C ATOM 350 OE1 GLU A 24 -4.577 -32.492 -14.813 1.00 35.10 O ATOM 351 OE2 GLU A 24 -4.128 -32.895 -16.913 1.00 70.14 O1- ATOM 0 H GLU A 24 -7.911 -31.594 -14.424 1.00 63.12 H new ATOM 0 HA GLU A 24 -8.388 -29.679 -16.645 1.00 10.03 H new ATOM 0 HB2 GLU A 24 -6.788 -31.083 -17.864 1.00 41.42 H new ATOM 0 HB3 GLU A 24 -6.081 -30.421 -16.404 1.00 41.42 H new ATOM 0 HG2 GLU A 24 -7.008 -32.817 -15.461 1.00 40.21 H new ATOM 0 HG3 GLU A 24 -6.664 -33.243 -17.126 1.00 40.21 H new ATOM 358 N GLN A 25 -9.641 -31.389 -18.150 1.00 3.42 N ATOM 359 CA GLN A 25 -10.685 -32.180 -18.805 1.00 70.21 C ATOM 360 C GLN A 25 -10.113 -32.960 -19.984 1.00 62.55 C ATOM 361 O GLN A 25 -9.174 -32.503 -20.639 1.00 71.41 O ATOM 362 CB GLN A 25 -11.863 -31.278 -19.239 1.00 35.52 C ATOM 363 CG GLN A 25 -11.469 -30.009 -20.002 1.00 35.52 C ATOM 364 CD GLN A 25 -11.084 -30.257 -21.451 1.00 34.41 C ATOM 365 OE1 GLN A 25 -11.576 -31.184 -22.091 1.00 41.35 O ATOM 366 NE2 GLN A 25 -10.204 -29.422 -21.978 1.00 13.53 N ATOM 0 H GLN A 25 -9.210 -30.684 -18.748 1.00 3.42 H new ATOM 0 HA GLN A 25 -11.071 -32.904 -18.087 1.00 70.21 H new ATOM 0 HB2 GLN A 25 -12.537 -31.864 -19.864 1.00 35.52 H new ATOM 0 HB3 GLN A 25 -12.424 -30.989 -18.350 1.00 35.52 H new ATOM 0 HG2 GLN A 25 -12.301 -29.306 -19.973 1.00 35.52 H new ATOM 0 HG3 GLN A 25 -10.632 -29.534 -19.490 1.00 35.52 H new ATOM 0 HE21 GLN A 25 -9.818 -28.665 -21.414 1.00 13.53 H new ATOM 0 HE22 GLN A 25 -9.911 -29.535 -22.948 1.00 13.53 H new ATOM 375 N ILE A 26 -10.664 -34.149 -20.236 1.00 73.45 N ATOM 376 CA ILE A 26 -10.191 -35.001 -21.328 1.00 30.23 C ATOM 377 C ILE A 26 -11.364 -35.659 -22.050 1.00 44.22 C ATOM 378 O ILE A 26 -12.450 -35.809 -21.484 1.00 73.54 O ATOM 379 CB ILE A 26 -9.217 -36.111 -20.834 1.00 32.02 C ATOM 380 CG1 ILE A 26 -9.887 -36.978 -19.754 1.00 24.53 C ATOM 381 CG2 ILE A 26 -7.911 -35.505 -20.314 1.00 54.44 C ATOM 382 CD1 ILE A 26 -9.042 -38.147 -19.289 1.00 35.42 C ATOM 0 H ILE A 26 -11.437 -34.543 -19.700 1.00 73.45 H new ATOM 0 HA ILE A 26 -9.650 -34.349 -22.013 1.00 30.23 H new ATOM 0 HB ILE A 26 -8.973 -36.750 -21.683 1.00 32.02 H new ATOM 0 HG12 ILE A 26 -10.125 -36.351 -18.895 1.00 24.53 H new ATOM 0 HG13 ILE A 26 -10.832 -37.358 -20.142 1.00 24.53 H new ATOM 0 HG21 ILE A 26 -7.249 -36.302 -19.975 1.00 54.44 H new ATOM 0 HG22 ILE A 26 -7.426 -34.946 -21.114 1.00 54.44 H new ATOM 0 HG23 ILE A 26 -8.127 -34.835 -19.482 1.00 54.44 H new ATOM 0 HD11 ILE A 26 -9.585 -38.708 -18.528 1.00 35.42 H new ATOM 0 HD12 ILE A 26 -8.825 -38.799 -20.135 1.00 35.42 H new ATOM 0 HD13 ILE A 26 -8.107 -37.776 -18.869 1.00 35.42 H new ATOM 394 N GLY A 27 -11.135 -36.040 -23.303 1.00 62.23 N ATOM 395 CA GLY A 27 -12.162 -36.707 -24.083 1.00 35.05 C ATOM 396 C GLY A 27 -12.161 -38.211 -23.879 1.00 75.43 C ATOM 397 O GLY A 27 -11.322 -38.750 -23.150 1.00 55.43 O ATOM 0 H GLY A 27 -10.252 -35.898 -23.794 1.00 62.23 H new ATOM 0 HA2 GLY A 27 -13.138 -36.307 -23.810 1.00 35.05 H new ATOM 0 HA3 GLY A 27 -12.012 -36.487 -25.140 1.00 35.05 H new ATOM 401 N ASP A 28 -13.089 -38.892 -24.546 1.00 55.22 N ATOM 402 CA ASP A 28 -13.254 -40.339 -24.406 1.00 30.13 C ATOM 403 C ASP A 28 -11.994 -41.089 -24.848 1.00 31.43 C ATOM 404 O ASP A 28 -11.531 -42.011 -24.167 1.00 52.43 O ATOM 405 CB ASP A 28 -14.461 -40.816 -25.226 1.00 2.44 C ATOM 406 CG ASP A 28 -14.579 -42.332 -25.259 1.00 31.34 C ATOM 407 OD1 ASP A 28 -14.954 -42.928 -24.231 1.00 33.35 O ATOM 408 OD2 ASP A 28 -14.290 -42.936 -26.317 1.00 65.03 O1- ATOM 0 H ASP A 28 -13.746 -38.460 -25.196 1.00 55.22 H new ATOM 0 HA ASP A 28 -13.425 -40.555 -23.352 1.00 30.13 H new ATOM 0 HB2 ASP A 28 -15.373 -40.393 -24.805 1.00 2.44 H new ATOM 0 HB3 ASP A 28 -14.376 -40.439 -26.245 1.00 2.44 H new ATOM 413 N SER A 29 -11.439 -40.683 -25.986 1.00 43.14 N ATOM 414 CA SER A 29 -10.234 -41.309 -26.525 1.00 21.41 C ATOM 415 C SER A 29 -9.047 -41.069 -25.589 1.00 74.42 C ATOM 416 O SER A 29 -8.139 -41.899 -25.486 1.00 31.25 O ATOM 417 CB SER A 29 -9.936 -40.757 -27.931 1.00 13.32 C ATOM 418 OG SER A 29 -8.822 -41.406 -28.525 1.00 44.32 O ATOM 0 H SER A 29 -11.806 -39.920 -26.555 1.00 43.14 H new ATOM 0 HA SER A 29 -10.398 -42.384 -26.602 1.00 21.41 H new ATOM 0 HB2 SER A 29 -10.813 -40.885 -28.566 1.00 13.32 H new ATOM 0 HB3 SER A 29 -9.742 -39.686 -27.868 1.00 13.32 H new ATOM 0 HG SER A 29 -8.663 -41.032 -29.417 1.00 44.32 H new ATOM 424 N GLU A 30 -9.080 -39.938 -24.889 1.00 44.24 N ATOM 425 CA GLU A 30 -8.005 -39.557 -23.978 1.00 41.13 C ATOM 426 C GLU A 30 -8.135 -40.266 -22.633 1.00 44.35 C ATOM 427 O GLU A 30 -7.157 -40.381 -21.899 1.00 55.03 O ATOM 428 CB GLU A 30 -7.991 -38.032 -23.777 1.00 34.32 C ATOM 429 CG GLU A 30 -7.275 -37.267 -24.887 1.00 30.32 C ATOM 430 CD GLU A 30 -5.755 -37.289 -24.741 1.00 70.04 C ATOM 431 OE1 GLU A 30 -5.121 -36.221 -24.897 1.00 75.54 O ATOM 432 OE2 GLU A 30 -5.184 -38.359 -24.440 1.00 72.31 O1- ATOM 0 H GLU A 30 -9.845 -39.265 -24.936 1.00 44.24 H new ATOM 0 HA GLU A 30 -7.062 -39.866 -24.428 1.00 41.13 H new ATOM 0 HB2 GLU A 30 -9.019 -37.675 -23.708 1.00 34.32 H new ATOM 0 HB3 GLU A 30 -7.511 -37.805 -22.825 1.00 34.32 H new ATOM 0 HG2 GLU A 30 -7.548 -37.696 -25.851 1.00 30.32 H new ATOM 0 HG3 GLU A 30 -7.620 -36.233 -24.889 1.00 30.32 H new ATOM 439 N PHE A 31 -9.334 -40.752 -22.318 1.00 52.35 N ATOM 440 CA PHE A 31 -9.580 -41.393 -21.028 1.00 4.33 C ATOM 441 C PHE A 31 -8.636 -42.580 -20.812 1.00 54.44 C ATOM 442 O PHE A 31 -7.805 -42.561 -19.900 1.00 42.52 O ATOM 443 CB PHE A 31 -11.042 -41.853 -20.931 1.00 52.22 C ATOM 444 CG PHE A 31 -11.374 -42.536 -19.626 1.00 11.55 C ATOM 445 CD1 PHE A 31 -11.560 -43.912 -19.567 1.00 31.15 C ATOM 446 CD2 PHE A 31 -11.496 -41.803 -18.456 1.00 33.32 C ATOM 447 CE1 PHE A 31 -11.862 -44.534 -18.368 1.00 3.32 C ATOM 448 CE2 PHE A 31 -11.797 -42.421 -17.260 1.00 65.25 C ATOM 449 CZ PHE A 31 -11.981 -43.786 -17.214 1.00 11.43 C ATOM 0 H PHE A 31 -10.146 -40.715 -22.934 1.00 52.35 H new ATOM 0 HA PHE A 31 -9.387 -40.660 -20.245 1.00 4.33 H new ATOM 0 HB2 PHE A 31 -11.695 -40.989 -21.056 1.00 52.22 H new ATOM 0 HB3 PHE A 31 -11.255 -42.536 -21.754 1.00 52.22 H new ATOM 0 HD1 PHE A 31 -11.468 -44.502 -20.467 1.00 31.15 H new ATOM 0 HD2 PHE A 31 -11.353 -40.733 -18.481 1.00 33.32 H new ATOM 0 HE1 PHE A 31 -12.004 -45.604 -18.335 1.00 3.32 H new ATOM 0 HE2 PHE A 31 -11.889 -41.834 -16.358 1.00 65.25 H new ATOM 0 HZ PHE A 31 -12.218 -44.269 -16.278 1.00 11.43 H new ATOM 459 N ASP A 32 -8.733 -43.589 -21.680 1.00 24.45 N ATOM 460 CA ASP A 32 -7.908 -44.793 -21.551 1.00 14.44 C ATOM 461 C ASP A 32 -6.430 -44.432 -21.645 1.00 54.45 C ATOM 462 O ASP A 32 -5.608 -44.896 -20.847 1.00 73.42 O ATOM 463 CB ASP A 32 -8.263 -45.816 -22.639 1.00 2.53 C ATOM 464 CG ASP A 32 -7.396 -47.070 -22.573 1.00 22.33 C ATOM 465 OD1 ASP A 32 -6.405 -47.159 -23.331 1.00 54.10 O ATOM 466 OD2 ASP A 32 -7.704 -47.973 -21.765 1.00 35.01 O1- ATOM 0 H ASP A 32 -9.371 -43.597 -22.476 1.00 24.45 H new ATOM 0 HA ASP A 32 -8.107 -45.238 -20.576 1.00 14.44 H new ATOM 0 HB2 ASP A 32 -9.311 -46.098 -22.539 1.00 2.53 H new ATOM 0 HB3 ASP A 32 -8.150 -45.352 -23.619 1.00 2.53 H new ATOM 471 N ASN A 33 -6.114 -43.580 -22.618 1.00 43.22 N ATOM 472 CA ASN A 33 -4.743 -43.131 -22.854 1.00 4.32 C ATOM 473 C ASN A 33 -4.128 -42.559 -21.580 1.00 12.24 C ATOM 474 O ASN A 33 -3.117 -43.057 -21.093 1.00 43.20 O ATOM 475 CB ASN A 33 -4.709 -42.081 -23.966 1.00 4.00 C ATOM 476 CG ASN A 33 -3.293 -41.645 -24.294 1.00 1.45 C ATOM 477 OD1 ASN A 33 -2.341 -42.416 -24.171 1.00 34.52 O ATOM 478 ND2 ASN A 33 -3.146 -40.408 -24.708 1.00 23.04 N ATOM 0 H ASN A 33 -6.797 -43.183 -23.263 1.00 43.22 H new ATOM 0 HA ASN A 33 -4.155 -43.995 -23.163 1.00 4.32 H new ATOM 0 HB2 ASN A 33 -5.180 -42.486 -24.862 1.00 4.00 H new ATOM 0 HB3 ASN A 33 -5.294 -41.213 -23.663 1.00 4.00 H new ATOM 0 HD21 ASN A 33 -2.218 -40.055 -24.941 1.00 23.04 H new ATOM 0 HD22 ASN A 33 -3.960 -39.800 -24.797 1.00 23.04 H new ATOM 485 N LYS A 34 -4.776 -41.545 -21.020 1.00 32.10 N ATOM 486 CA LYS A 34 -4.275 -40.861 -19.830 1.00 63.34 C ATOM 487 C LYS A 34 -4.187 -41.816 -18.641 1.00 13.43 C ATOM 488 O LYS A 34 -3.189 -41.829 -17.918 1.00 20.22 O ATOM 489 CB LYS A 34 -5.179 -39.662 -19.494 1.00 42.13 C ATOM 490 CG LYS A 34 -5.056 -38.503 -20.486 1.00 54.23 C ATOM 491 CD LYS A 34 -3.710 -37.795 -20.350 1.00 2.25 C ATOM 492 CE LYS A 34 -3.537 -36.680 -21.375 1.00 10.31 C ATOM 493 NZ LYS A 34 -3.369 -37.202 -22.760 1.00 61.25 N1+ ATOM 0 H LYS A 34 -5.658 -41.174 -21.374 1.00 32.10 H new ATOM 0 HA LYS A 34 -3.269 -40.499 -20.040 1.00 63.34 H new ATOM 0 HB2 LYS A 34 -6.216 -39.996 -19.466 1.00 42.13 H new ATOM 0 HB3 LYS A 34 -4.933 -39.302 -18.495 1.00 42.13 H new ATOM 0 HG2 LYS A 34 -5.170 -38.879 -21.503 1.00 54.23 H new ATOM 0 HG3 LYS A 34 -5.863 -37.790 -20.317 1.00 54.23 H new ATOM 0 HD2 LYS A 34 -3.620 -37.380 -19.346 1.00 2.25 H new ATOM 0 HD3 LYS A 34 -2.906 -38.522 -20.468 1.00 2.25 H new ATOM 0 HE2 LYS A 34 -4.405 -36.021 -21.341 1.00 10.31 H new ATOM 0 HE3 LYS A 34 -2.669 -36.077 -21.109 1.00 10.31 H new ATOM 0 HZ1 LYS A 34 -3.323 -36.406 -23.428 1.00 61.25 H new ATOM 0 HZ2 LYS A 34 -2.490 -37.754 -22.819 1.00 61.25 H new ATOM 0 HZ3 LYS A 34 -4.177 -37.811 -23.002 1.00 61.25 H new ATOM 507 N VAL A 35 -5.223 -42.634 -18.462 1.00 1.14 N ATOM 508 CA VAL A 35 -5.289 -43.554 -17.328 1.00 22.00 C ATOM 509 C VAL A 35 -4.148 -44.582 -17.369 1.00 74.14 C ATOM 510 O VAL A 35 -3.609 -44.962 -16.327 1.00 12.35 O ATOM 511 CB VAL A 35 -6.663 -44.273 -17.259 1.00 71.34 C ATOM 512 CG1 VAL A 35 -6.668 -45.354 -16.181 1.00 55.41 C ATOM 513 CG2 VAL A 35 -7.784 -43.262 -17.002 1.00 4.12 C ATOM 0 H VAL A 35 -6.028 -42.678 -19.087 1.00 1.14 H new ATOM 0 HA VAL A 35 -5.173 -42.955 -16.425 1.00 22.00 H new ATOM 0 HB VAL A 35 -6.837 -44.755 -18.221 1.00 71.34 H new ATOM 0 HG11 VAL A 35 -7.644 -45.839 -16.157 1.00 55.41 H new ATOM 0 HG12 VAL A 35 -5.900 -46.094 -16.404 1.00 55.41 H new ATOM 0 HG13 VAL A 35 -6.464 -44.901 -15.211 1.00 55.41 H new ATOM 0 HG21 VAL A 35 -8.740 -43.783 -16.957 1.00 4.12 H new ATOM 0 HG22 VAL A 35 -7.604 -42.751 -16.056 1.00 4.12 H new ATOM 0 HG23 VAL A 35 -7.807 -42.531 -17.810 1.00 4.12 H new ATOM 523 N THR A 36 -3.787 -45.035 -18.569 1.00 14.23 N ATOM 524 CA THR A 36 -2.704 -46.008 -18.721 1.00 5.43 C ATOM 525 C THR A 36 -1.328 -45.330 -18.812 1.00 53.41 C ATOM 526 O THR A 36 -0.323 -45.899 -18.388 1.00 51.32 O ATOM 527 CB THR A 36 -2.923 -46.904 -19.968 1.00 11.34 C ATOM 528 OG1 THR A 36 -3.109 -46.091 -21.136 1.00 35.24 O ATOM 529 CG2 THR A 36 -4.137 -47.814 -19.786 1.00 31.14 C ATOM 0 H THR A 36 -4.224 -44.747 -19.444 1.00 14.23 H new ATOM 0 HA THR A 36 -2.721 -46.630 -17.826 1.00 5.43 H new ATOM 0 HB THR A 36 -2.036 -47.525 -20.092 1.00 11.34 H new ATOM 0 HG1 THR A 36 -4.016 -45.720 -21.135 1.00 35.24 H new ATOM 0 HG21 THR A 36 -4.266 -48.431 -20.676 1.00 31.14 H new ATOM 0 HG22 THR A 36 -3.984 -48.456 -18.919 1.00 31.14 H new ATOM 0 HG23 THR A 36 -5.028 -47.205 -19.634 1.00 31.14 H new ATOM 537 N SER A 37 -1.295 -44.104 -19.333 1.00 74.54 N ATOM 538 CA SER A 37 -0.035 -43.425 -19.656 1.00 42.32 C ATOM 539 C SER A 37 0.582 -42.726 -18.435 1.00 73.45 C ATOM 540 O SER A 37 1.524 -41.940 -18.574 1.00 65.42 O ATOM 541 CB SER A 37 -0.262 -42.414 -20.793 1.00 1.24 C ATOM 542 OG SER A 37 0.962 -41.920 -21.316 1.00 11.40 O ATOM 0 H SER A 37 -2.130 -43.556 -19.542 1.00 74.54 H new ATOM 0 HA SER A 37 0.674 -44.187 -19.980 1.00 42.32 H new ATOM 0 HB2 SER A 37 -0.833 -42.888 -21.592 1.00 1.24 H new ATOM 0 HB3 SER A 37 -0.861 -41.582 -20.424 1.00 1.24 H new ATOM 0 HG SER A 37 1.592 -41.764 -20.582 1.00 11.40 H new ATOM 548 N CYS A 38 0.055 -43.002 -17.246 1.00 31.04 N ATOM 549 CA CYS A 38 0.625 -42.448 -16.019 1.00 10.42 C ATOM 550 C CYS A 38 2.088 -42.888 -15.867 1.00 51.55 C ATOM 551 O CYS A 38 2.442 -44.010 -16.239 1.00 23.12 O ATOM 552 CB CYS A 38 -0.194 -42.897 -14.805 1.00 55.23 C ATOM 553 SG CYS A 38 -0.259 -44.689 -14.591 1.00 22.33 S ATOM 0 H CYS A 38 -0.759 -43.600 -17.105 1.00 31.04 H new ATOM 0 HA CYS A 38 0.593 -41.360 -16.078 1.00 10.42 H new ATOM 0 HB2 CYS A 38 0.230 -42.448 -13.907 1.00 55.23 H new ATOM 0 HB3 CYS A 38 -1.210 -42.515 -14.903 1.00 55.23 H new ATOM 0 HG CYS A 38 0.771 -45.233 -15.168 1.00 22.33 H new ATOM 559 N ASN A 39 2.933 -42.000 -15.335 1.00 72.42 N ATOM 560 CA ASN A 39 4.362 -42.294 -15.161 1.00 15.33 C ATOM 561 C ASN A 39 4.557 -43.550 -14.301 1.00 11.44 C ATOM 562 O ASN A 39 4.909 -44.614 -14.814 1.00 34.54 O ATOM 563 CB ASN A 39 5.083 -41.091 -14.528 1.00 42.12 C ATOM 564 CG ASN A 39 6.566 -41.343 -14.302 1.00 14.24 C ATOM 565 OD1 ASN A 39 6.969 -41.858 -13.259 1.00 23.53 O ATOM 566 ND2 ASN A 39 7.390 -40.969 -15.269 1.00 10.15 N ATOM 0 H ASN A 39 2.654 -41.072 -15.017 1.00 72.42 H new ATOM 0 HA ASN A 39 4.796 -42.482 -16.143 1.00 15.33 H new ATOM 0 HB2 ASN A 39 4.961 -40.220 -15.173 1.00 42.12 H new ATOM 0 HB3 ASN A 39 4.611 -40.851 -13.575 1.00 42.12 H new ATOM 0 HD21 ASN A 39 8.395 -41.105 -15.163 1.00 10.15 H new ATOM 0 HD22 ASN A 39 7.019 -40.545 -16.120 1.00 10.15 H new ATOM 573 N ASP A 40 4.326 -43.412 -12.995 1.00 2.41 N ATOM 574 CA ASP A 40 4.366 -44.544 -12.065 1.00 42.21 C ATOM 575 C ASP A 40 3.641 -44.188 -10.773 1.00 11.11 C ATOM 576 O ASP A 40 3.929 -43.164 -10.158 1.00 52.12 O ATOM 577 CB ASP A 40 5.808 -44.965 -11.750 1.00 54.20 C ATOM 578 CG ASP A 40 5.876 -46.007 -10.638 1.00 63.42 C ATOM 579 OD1 ASP A 40 6.235 -45.646 -9.496 1.00 24.22 O ATOM 580 OD2 ASP A 40 5.551 -47.187 -10.893 1.00 1.42 O1- ATOM 0 H ASP A 40 4.107 -42.519 -12.553 1.00 2.41 H new ATOM 0 HA ASP A 40 3.865 -45.384 -12.546 1.00 42.21 H new ATOM 0 HB2 ASP A 40 6.272 -45.367 -12.651 1.00 54.20 H new ATOM 0 HB3 ASP A 40 6.385 -44.087 -11.459 1.00 54.20 H new ATOM 585 N ASN A 41 2.681 -45.030 -10.393 1.00 20.22 N ATOM 586 CA ASN A 41 1.888 -44.846 -9.171 1.00 43.41 C ATOM 587 C ASN A 41 1.165 -43.500 -9.135 1.00 72.45 C ATOM 588 O ASN A 41 0.622 -43.119 -8.095 1.00 25.45 O ATOM 589 CB ASN A 41 2.743 -45.019 -7.902 1.00 53.22 C ATOM 590 CG ASN A 41 2.975 -46.478 -7.557 1.00 43.00 C ATOM 591 OD1 ASN A 41 2.133 -47.114 -6.915 1.00 12.13 O ATOM 592 ND2 ASN A 41 4.104 -47.021 -7.977 1.00 51.54 N ATOM 0 H ASN A 41 2.428 -45.863 -10.924 1.00 20.22 H new ATOM 0 HA ASN A 41 1.130 -45.629 -9.190 1.00 43.41 H new ATOM 0 HB2 ASN A 41 3.704 -44.525 -8.044 1.00 53.22 H new ATOM 0 HB3 ASN A 41 2.251 -44.524 -7.065 1.00 53.22 H new ATOM 0 HD21 ASN A 41 4.306 -48.000 -7.774 1.00 51.54 H new ATOM 0 HD22 ASN A 41 4.774 -46.461 -8.505 1.00 51.54 H new ATOM 599 N ILE A 42 1.128 -42.803 -10.265 1.00 4.44 N ATOM 600 CA ILE A 42 0.421 -41.534 -10.353 1.00 53.42 C ATOM 601 C ILE A 42 -1.071 -41.765 -10.130 1.00 61.41 C ATOM 602 O ILE A 42 -1.710 -42.506 -10.883 1.00 70.51 O ATOM 603 CB ILE A 42 0.646 -40.846 -11.725 1.00 60.24 C ATOM 604 CG1 ILE A 42 2.150 -40.622 -11.975 1.00 24.42 C ATOM 605 CG2 ILE A 42 -0.120 -39.523 -11.808 1.00 31.35 C ATOM 606 CD1 ILE A 42 2.825 -39.741 -10.941 1.00 11.11 C ATOM 0 H ILE A 42 1.579 -43.096 -11.131 1.00 4.44 H new ATOM 0 HA ILE A 42 0.816 -40.874 -9.581 1.00 53.42 H new ATOM 0 HB ILE A 42 0.261 -41.505 -12.503 1.00 60.24 H new ATOM 0 HG12 ILE A 42 2.652 -41.589 -11.996 1.00 24.42 H new ATOM 0 HG13 ILE A 42 2.281 -40.174 -12.960 1.00 24.42 H new ATOM 0 HG21 ILE A 42 0.055 -39.062 -12.780 1.00 31.35 H new ATOM 0 HG22 ILE A 42 -1.186 -39.711 -11.683 1.00 31.35 H new ATOM 0 HG23 ILE A 42 0.225 -38.853 -11.021 1.00 31.35 H new ATOM 0 HD11 ILE A 42 3.881 -39.633 -11.189 1.00 11.11 H new ATOM 0 HD12 ILE A 42 2.351 -38.759 -10.935 1.00 11.11 H new ATOM 0 HD13 ILE A 42 2.728 -40.197 -9.956 1.00 11.11 H new ATOM 618 N LEU A 43 -1.603 -41.164 -9.077 1.00 61.41 N ATOM 619 CA LEU A 43 -3.007 -41.317 -8.736 1.00 72.33 C ATOM 620 C LEU A 43 -3.865 -40.458 -9.654 1.00 70.42 C ATOM 621 O LEU A 43 -3.807 -39.226 -9.607 1.00 24.44 O ATOM 622 CB LEU A 43 -3.248 -40.940 -7.270 1.00 53.01 C ATOM 623 CG LEU A 43 -4.703 -41.076 -6.791 1.00 15.11 C ATOM 624 CD1 LEU A 43 -5.195 -42.515 -6.940 1.00 20.34 C ATOM 625 CD2 LEU A 43 -4.841 -40.596 -5.349 1.00 60.11 C ATOM 0 H LEU A 43 -1.079 -40.563 -8.441 1.00 61.41 H new ATOM 0 HA LEU A 43 -3.287 -42.362 -8.871 1.00 72.33 H new ATOM 0 HB2 LEU A 43 -2.615 -41.566 -6.641 1.00 53.01 H new ATOM 0 HB3 LEU A 43 -2.927 -39.909 -7.119 1.00 53.01 H new ATOM 0 HG LEU A 43 -5.329 -40.444 -7.420 1.00 15.11 H new ATOM 0 HD11 LEU A 43 -6.226 -42.584 -6.594 1.00 20.34 H new ATOM 0 HD12 LEU A 43 -5.143 -42.811 -7.988 1.00 20.34 H new ATOM 0 HD13 LEU A 43 -4.567 -43.178 -6.344 1.00 20.34 H new ATOM 0 HD21 LEU A 43 -5.878 -40.700 -5.028 1.00 60.11 H new ATOM 0 HD22 LEU A 43 -4.199 -41.195 -4.703 1.00 60.11 H new ATOM 0 HD23 LEU A 43 -4.545 -39.549 -5.284 1.00 60.11 H new ATOM 637 N ILE A 44 -4.642 -41.112 -10.501 1.00 53.43 N ATOM 638 CA ILE A 44 -5.499 -40.419 -11.444 1.00 3.43 C ATOM 639 C ILE A 44 -6.928 -40.346 -10.918 1.00 52.32 C ATOM 640 O ILE A 44 -7.643 -41.350 -10.888 1.00 63.21 O ATOM 641 CB ILE A 44 -5.465 -41.119 -12.825 1.00 54.14 C ATOM 642 CG1 ILE A 44 -4.034 -41.076 -13.391 1.00 72.45 C ATOM 643 CG2 ILE A 44 -6.457 -40.479 -13.792 1.00 35.25 C ATOM 644 CD1 ILE A 44 -3.873 -41.766 -14.727 1.00 52.24 C ATOM 0 H ILE A 44 -4.696 -42.129 -10.553 1.00 53.43 H new ATOM 0 HA ILE A 44 -5.125 -39.402 -11.563 1.00 3.43 H new ATOM 0 HB ILE A 44 -5.763 -42.160 -12.698 1.00 54.14 H new ATOM 0 HG12 ILE A 44 -3.727 -40.035 -13.493 1.00 72.45 H new ATOM 0 HG13 ILE A 44 -3.357 -41.538 -12.672 1.00 72.45 H new ATOM 0 HG21 ILE A 44 -6.411 -40.991 -14.753 1.00 35.25 H new ATOM 0 HG22 ILE A 44 -7.465 -40.560 -13.386 1.00 35.25 H new ATOM 0 HG23 ILE A 44 -6.205 -39.427 -13.929 1.00 35.25 H new ATOM 0 HD11 ILE A 44 -2.836 -41.689 -15.054 1.00 52.24 H new ATOM 0 HD12 ILE A 44 -4.146 -42.817 -14.629 1.00 52.24 H new ATOM 0 HD13 ILE A 44 -4.521 -41.290 -15.463 1.00 52.24 H new ATOM 656 N LEU A 45 -7.318 -39.158 -10.468 1.00 65.44 N ATOM 657 CA LEU A 45 -8.675 -38.917 -9.993 1.00 1.02 C ATOM 658 C LEU A 45 -9.534 -38.450 -11.158 1.00 41.11 C ATOM 659 O LEU A 45 -9.278 -37.397 -11.745 1.00 73.21 O ATOM 660 CB LEU A 45 -8.709 -37.858 -8.873 1.00 45.12 C ATOM 661 CG LEU A 45 -7.966 -38.217 -7.574 1.00 11.25 C ATOM 662 CD1 LEU A 45 -6.456 -38.205 -7.783 1.00 71.43 C ATOM 663 CD2 LEU A 45 -8.366 -37.265 -6.445 1.00 43.24 C ATOM 0 H LEU A 45 -6.708 -38.342 -10.422 1.00 65.44 H new ATOM 0 HA LEU A 45 -9.062 -39.849 -9.582 1.00 1.02 H new ATOM 0 HB2 LEU A 45 -8.287 -36.932 -9.264 1.00 45.12 H new ATOM 0 HB3 LEU A 45 -9.751 -37.654 -8.626 1.00 45.12 H new ATOM 0 HG LEU A 45 -8.255 -39.229 -7.289 1.00 11.25 H new ATOM 0 HD11 LEU A 45 -5.957 -38.462 -6.849 1.00 71.43 H new ATOM 0 HD12 LEU A 45 -6.189 -38.933 -8.549 1.00 71.43 H new ATOM 0 HD13 LEU A 45 -6.141 -37.211 -8.101 1.00 71.43 H new ATOM 0 HD21 LEU A 45 -7.830 -37.535 -5.535 1.00 43.24 H new ATOM 0 HD22 LEU A 45 -8.114 -36.242 -6.725 1.00 43.24 H new ATOM 0 HD23 LEU A 45 -9.439 -37.339 -6.270 1.00 43.24 H new ATOM 675 N VAL A 46 -10.534 -39.237 -11.507 1.00 52.30 N ATOM 676 CA VAL A 46 -11.430 -38.892 -12.599 1.00 52.42 C ATOM 677 C VAL A 46 -12.757 -38.393 -12.039 1.00 21.23 C ATOM 678 O VAL A 46 -13.553 -39.179 -11.513 1.00 14.33 O ATOM 679 CB VAL A 46 -11.670 -40.097 -13.543 1.00 13.25 C ATOM 680 CG1 VAL A 46 -12.542 -39.682 -14.728 1.00 25.32 C ATOM 681 CG2 VAL A 46 -10.338 -40.681 -14.019 1.00 72.45 C ATOM 0 H VAL A 46 -10.748 -40.123 -11.049 1.00 52.30 H new ATOM 0 HA VAL A 46 -10.960 -38.102 -13.184 1.00 52.42 H new ATOM 0 HB VAL A 46 -12.199 -40.873 -12.989 1.00 13.25 H new ATOM 0 HG11 VAL A 46 -12.701 -40.540 -15.381 1.00 25.32 H new ATOM 0 HG12 VAL A 46 -13.504 -39.321 -14.363 1.00 25.32 H new ATOM 0 HG13 VAL A 46 -12.044 -38.889 -15.286 1.00 25.32 H new ATOM 0 HG21 VAL A 46 -10.527 -41.526 -14.681 1.00 72.45 H new ATOM 0 HG22 VAL A 46 -9.777 -39.917 -14.557 1.00 72.45 H new ATOM 0 HG23 VAL A 46 -9.760 -41.017 -13.158 1.00 72.45 H new ATOM 691 N ASP A 47 -12.961 -37.081 -12.113 1.00 11.12 N ATOM 692 CA ASP A 47 -14.189 -36.454 -11.631 1.00 51.13 C ATOM 693 C ASP A 47 -15.280 -36.518 -12.708 1.00 54.22 C ATOM 694 O ASP A 47 -15.083 -36.051 -13.838 1.00 62.13 O ATOM 695 CB ASP A 47 -13.909 -34.992 -11.242 1.00 0.54 C ATOM 696 CG ASP A 47 -15.075 -34.314 -10.530 1.00 13.50 C ATOM 697 OD1 ASP A 47 -16.087 -34.983 -10.236 1.00 30.41 O ATOM 698 OD2 ASP A 47 -14.975 -33.099 -10.260 1.00 0.25 O1- ATOM 0 H ASP A 47 -12.285 -36.426 -12.506 1.00 11.12 H new ATOM 0 HA ASP A 47 -14.541 -36.995 -10.752 1.00 51.13 H new ATOM 0 HB2 ASP A 47 -13.031 -34.959 -10.596 1.00 0.54 H new ATOM 0 HB3 ASP A 47 -13.665 -34.426 -12.141 1.00 0.54 H new ATOM 703 N PHE A 48 -16.419 -37.112 -12.356 1.00 33.43 N ATOM 704 CA PHE A 48 -17.555 -37.239 -13.268 1.00 51.34 C ATOM 705 C PHE A 48 -18.635 -36.216 -12.926 1.00 61.52 C ATOM 706 O PHE A 48 -19.105 -36.149 -11.787 1.00 13.11 O ATOM 707 CB PHE A 48 -18.140 -38.659 -13.211 1.00 65.22 C ATOM 708 CG PHE A 48 -17.262 -39.713 -13.845 1.00 13.55 C ATOM 709 CD1 PHE A 48 -16.228 -40.303 -13.132 1.00 62.52 C ATOM 710 CD2 PHE A 48 -17.478 -40.119 -15.157 1.00 12.32 C ATOM 711 CE1 PHE A 48 -15.433 -41.273 -13.712 1.00 14.23 C ATOM 712 CE2 PHE A 48 -16.684 -41.087 -15.740 1.00 3.03 C ATOM 713 CZ PHE A 48 -15.660 -41.665 -15.016 1.00 0.02 C ATOM 0 H PHE A 48 -16.580 -37.518 -11.434 1.00 33.43 H new ATOM 0 HA PHE A 48 -17.199 -37.048 -14.280 1.00 51.34 H new ATOM 0 HB2 PHE A 48 -18.316 -38.926 -12.169 1.00 65.22 H new ATOM 0 HB3 PHE A 48 -19.110 -38.661 -13.709 1.00 65.22 H new ATOM 0 HD1 PHE A 48 -16.042 -40.001 -12.112 1.00 62.52 H new ATOM 0 HD2 PHE A 48 -18.278 -39.671 -15.728 1.00 12.32 H new ATOM 0 HE1 PHE A 48 -14.633 -41.725 -13.144 1.00 14.23 H new ATOM 0 HE2 PHE A 48 -16.864 -41.391 -16.761 1.00 3.03 H new ATOM 0 HZ PHE A 48 -15.038 -42.422 -15.469 1.00 0.02 H new ATOM 723 N TRP A 49 -19.023 -35.420 -13.922 1.00 62.40 N ATOM 724 CA TRP A 49 -20.040 -34.386 -13.746 1.00 3.51 C ATOM 725 C TRP A 49 -21.257 -34.659 -14.621 1.00 41.31 C ATOM 726 O TRP A 49 -21.144 -35.222 -15.712 1.00 63.54 O ATOM 727 CB TRP A 49 -19.466 -32.994 -14.062 1.00 40.21 C ATOM 728 CG TRP A 49 -18.744 -32.370 -12.904 1.00 42.53 C ATOM 729 CD1 TRP A 49 -17.807 -32.957 -12.107 1.00 65.23 C ATOM 730 CD2 TRP A 49 -18.906 -31.034 -12.414 1.00 72.13 C ATOM 731 NE1 TRP A 49 -17.386 -32.076 -11.144 1.00 33.30 N ATOM 732 CE2 TRP A 49 -18.043 -30.886 -11.313 1.00 34.35 C ATOM 733 CE3 TRP A 49 -19.699 -29.949 -12.798 1.00 22.14 C ATOM 734 CZ2 TRP A 49 -17.950 -29.700 -10.592 1.00 54.21 C ATOM 735 CZ3 TRP A 49 -19.606 -28.771 -12.082 1.00 74.34 C ATOM 736 CH2 TRP A 49 -18.736 -28.654 -10.990 1.00 43.42 C ATOM 0 H TRP A 49 -18.644 -35.474 -14.867 1.00 62.40 H new ATOM 0 HA TRP A 49 -20.354 -34.407 -12.702 1.00 3.51 H new ATOM 0 HB2 TRP A 49 -18.782 -33.075 -14.906 1.00 40.21 H new ATOM 0 HB3 TRP A 49 -20.278 -32.336 -14.371 1.00 40.21 H new ATOM 0 HD1 TRP A 49 -17.448 -33.970 -12.218 1.00 65.23 H new ATOM 0 HE1 TRP A 49 -16.696 -32.275 -10.420 1.00 33.30 H new ATOM 0 HE3 TRP A 49 -20.372 -30.030 -13.639 1.00 22.14 H new ATOM 0 HZ2 TRP A 49 -17.281 -29.609 -9.749 1.00 54.21 H new ATOM 0 HZ3 TRP A 49 -20.214 -27.926 -12.369 1.00 74.34 H new ATOM 0 HH2 TRP A 49 -18.685 -27.719 -10.452 1.00 43.42 H new ATOM 747 N ALA A 50 -22.414 -34.249 -14.119 1.00 41.34 N ATOM 748 CA ALA A 50 -23.686 -34.396 -14.816 1.00 51.22 C ATOM 749 C ALA A 50 -24.174 -33.012 -15.278 1.00 20.23 C ATOM 750 O ALA A 50 -23.459 -32.026 -15.077 1.00 33.32 O ATOM 751 CB ALA A 50 -24.685 -35.058 -13.866 1.00 54.33 C ATOM 0 H ALA A 50 -22.497 -33.800 -13.207 1.00 41.34 H new ATOM 0 HA ALA A 50 -23.578 -35.024 -15.700 1.00 51.22 H new ATOM 0 HB1 ALA A 50 -25.644 -35.176 -14.371 1.00 54.33 H new ATOM 0 HB2 ALA A 50 -24.309 -36.037 -13.567 1.00 54.33 H new ATOM 0 HB3 ALA A 50 -24.815 -34.434 -12.982 1.00 54.33 H new ATOM 757 N PRO A 51 -25.368 -32.899 -15.923 1.00 55.40 N ATOM 758 CA PRO A 51 -25.965 -31.593 -16.264 1.00 12.22 C ATOM 759 C PRO A 51 -25.921 -30.599 -15.093 1.00 34.03 C ATOM 760 O PRO A 51 -25.906 -29.380 -15.290 1.00 2.20 O ATOM 761 CB PRO A 51 -27.416 -31.953 -16.606 1.00 62.34 C ATOM 762 CG PRO A 51 -27.342 -33.342 -17.144 1.00 64.33 C ATOM 763 CD PRO A 51 -26.207 -34.021 -16.414 1.00 24.12 C ATOM 0 HA PRO A 51 -25.427 -31.097 -17.072 1.00 12.22 H new ATOM 0 HB2 PRO A 51 -28.055 -31.903 -15.725 1.00 62.34 H new ATOM 0 HB3 PRO A 51 -27.832 -31.265 -17.341 1.00 62.34 H new ATOM 0 HG2 PRO A 51 -28.281 -33.872 -16.982 1.00 64.33 H new ATOM 0 HG3 PRO A 51 -27.163 -33.333 -18.219 1.00 64.33 H new ATOM 0 HD2 PRO A 51 -26.573 -34.635 -15.591 1.00 24.12 H new ATOM 0 HD3 PRO A 51 -25.644 -34.679 -17.076 1.00 24.12 H new ATOM 771 N TRP A 52 -25.901 -31.141 -13.879 1.00 52.31 N ATOM 772 CA TRP A 52 -25.862 -30.348 -12.652 1.00 61.04 C ATOM 773 C TRP A 52 -24.977 -31.045 -11.617 1.00 61.45 C ATOM 774 O TRP A 52 -24.446 -32.126 -11.883 1.00 73.15 O ATOM 775 CB TRP A 52 -27.287 -30.170 -12.100 1.00 34.34 C ATOM 776 CG TRP A 52 -28.016 -31.472 -11.908 1.00 2.33 C ATOM 777 CD1 TRP A 52 -28.727 -32.164 -12.850 1.00 55.55 C ATOM 778 CD2 TRP A 52 -28.099 -32.244 -10.702 1.00 2.31 C ATOM 779 NE1 TRP A 52 -29.241 -33.313 -12.304 1.00 21.24 N ATOM 780 CE2 TRP A 52 -28.871 -33.385 -10.988 1.00 34.23 C ATOM 781 CE3 TRP A 52 -27.595 -32.079 -9.408 1.00 4.45 C ATOM 782 CZ2 TRP A 52 -29.146 -34.358 -10.031 1.00 10.31 C ATOM 783 CZ3 TRP A 52 -27.869 -33.045 -8.458 1.00 4.30 C ATOM 784 CH2 TRP A 52 -28.640 -34.171 -8.774 1.00 60.21 C ATOM 0 H TRP A 52 -25.911 -32.148 -13.717 1.00 52.31 H new ATOM 0 HA TRP A 52 -25.445 -29.365 -12.870 1.00 61.04 H new ATOM 0 HB2 TRP A 52 -27.237 -29.645 -11.146 1.00 34.34 H new ATOM 0 HB3 TRP A 52 -27.857 -29.539 -12.782 1.00 34.34 H new ATOM 0 HD1 TRP A 52 -28.864 -31.851 -13.875 1.00 55.55 H new ATOM 0 HE1 TRP A 52 -29.807 -34.002 -12.799 1.00 21.24 H new ATOM 0 HE3 TRP A 52 -27.002 -31.212 -9.155 1.00 4.45 H new ATOM 0 HZ2 TRP A 52 -29.737 -35.229 -10.272 1.00 10.31 H new ATOM 0 HZ3 TRP A 52 -27.482 -32.930 -7.456 1.00 4.30 H new ATOM 0 HH2 TRP A 52 -28.839 -34.907 -8.009 1.00 60.21 H new ATOM 795 N CYS A 53 -24.821 -30.432 -10.445 1.00 50.22 N ATOM 796 CA CYS A 53 -24.065 -31.046 -9.354 1.00 20.35 C ATOM 797 C CYS A 53 -24.481 -30.445 -8.013 1.00 44.23 C ATOM 798 O CYS A 53 -25.139 -29.401 -7.973 1.00 40.01 O ATOM 799 CB CYS A 53 -22.556 -30.883 -9.571 1.00 43.12 C ATOM 800 SG CYS A 53 -21.912 -29.215 -9.224 1.00 63.30 S ATOM 0 H CYS A 53 -25.207 -29.513 -10.226 1.00 50.22 H new ATOM 0 HA CYS A 53 -24.291 -32.112 -9.343 1.00 20.35 H new ATOM 0 HB2 CYS A 53 -22.032 -31.599 -8.937 1.00 43.12 H new ATOM 0 HB3 CYS A 53 -22.321 -31.140 -10.604 1.00 43.12 H new ATOM 805 N GLY A 54 -24.101 -31.109 -6.922 1.00 43.40 N ATOM 806 CA GLY A 54 -24.509 -30.675 -5.595 1.00 13.40 C ATOM 807 C GLY A 54 -23.553 -29.665 -4.968 1.00 4.44 C ATOM 808 O GLY A 54 -23.486 -28.519 -5.408 1.00 31.03 O ATOM 0 H GLY A 54 -23.515 -31.944 -6.934 1.00 43.40 H new ATOM 0 HA2 GLY A 54 -25.504 -30.234 -5.655 1.00 13.40 H new ATOM 0 HA3 GLY A 54 -24.585 -31.545 -4.943 1.00 13.40 H new ATOM 812 N PRO A 55 -22.776 -30.080 -3.944 1.00 11.55 N ATOM 813 CA PRO A 55 -21.937 -29.168 -3.144 1.00 25.30 C ATOM 814 C PRO A 55 -20.607 -28.811 -3.818 1.00 32.04 C ATOM 815 O PRO A 55 -19.556 -28.791 -3.172 1.00 53.41 O ATOM 816 CB PRO A 55 -21.703 -29.982 -1.867 1.00 54.22 C ATOM 817 CG PRO A 55 -21.683 -31.401 -2.330 1.00 31.01 C ATOM 818 CD PRO A 55 -22.653 -31.480 -3.485 1.00 51.53 C ATOM 0 HA PRO A 55 -22.414 -28.200 -2.987 1.00 25.30 H new ATOM 0 HB2 PRO A 55 -20.764 -29.707 -1.387 1.00 54.22 H new ATOM 0 HB3 PRO A 55 -22.495 -29.813 -1.137 1.00 54.22 H new ATOM 0 HG2 PRO A 55 -20.681 -31.695 -2.642 1.00 31.01 H new ATOM 0 HG3 PRO A 55 -21.978 -32.077 -1.527 1.00 31.01 H new ATOM 0 HD2 PRO A 55 -22.279 -32.128 -4.277 1.00 51.53 H new ATOM 0 HD3 PRO A 55 -23.616 -31.883 -3.171 1.00 51.53 H new ATOM 826 N CYS A 56 -20.664 -28.485 -5.100 1.00 70.12 N ATOM 827 CA CYS A 56 -19.465 -28.154 -5.865 1.00 20.13 C ATOM 828 C CYS A 56 -18.803 -26.872 -5.359 1.00 71.35 C ATOM 829 O CYS A 56 -17.600 -26.686 -5.534 1.00 52.03 O ATOM 830 CB CYS A 56 -19.810 -28.025 -7.353 1.00 24.21 C ATOM 831 SG CYS A 56 -20.253 -29.612 -8.127 1.00 62.21 S ATOM 0 H CYS A 56 -21.530 -28.442 -5.637 1.00 70.12 H new ATOM 0 HA CYS A 56 -18.750 -28.966 -5.730 1.00 20.13 H new ATOM 0 HB2 CYS A 56 -20.640 -27.328 -7.468 1.00 24.21 H new ATOM 0 HB3 CYS A 56 -18.958 -27.596 -7.881 1.00 24.21 H new ATOM 836 N ARG A 57 -19.576 -26.019 -4.685 1.00 42.14 N ATOM 837 CA ARG A 57 -19.080 -24.712 -4.249 1.00 30.24 C ATOM 838 C ARG A 57 -17.792 -24.846 -3.430 1.00 54.23 C ATOM 839 O ARG A 57 -16.752 -24.308 -3.806 1.00 53.21 O ATOM 840 CB ARG A 57 -20.148 -23.996 -3.407 1.00 42.45 C ATOM 841 CG ARG A 57 -19.701 -22.632 -2.888 1.00 14.45 C ATOM 842 CD ARG A 57 -20.729 -22.002 -1.953 1.00 71.53 C ATOM 843 NE ARG A 57 -20.258 -20.726 -1.413 1.00 20.02 N ATOM 844 CZ ARG A 57 -20.250 -20.415 -0.116 1.00 74.44 C ATOM 845 NH1 ARG A 57 -20.699 -21.281 0.784 1.00 35.42 N1+ ATOM 846 NH2 ARG A 57 -19.784 -19.239 0.281 1.00 33.01 N ATOM 0 H ARG A 57 -20.545 -26.209 -4.430 1.00 42.14 H new ATOM 0 HA ARG A 57 -18.860 -24.127 -5.142 1.00 30.24 H new ATOM 0 HB2 ARG A 57 -21.049 -23.870 -4.008 1.00 42.45 H new ATOM 0 HB3 ARG A 57 -20.416 -24.628 -2.560 1.00 42.45 H new ATOM 0 HG2 ARG A 57 -18.752 -22.739 -2.362 1.00 14.45 H new ATOM 0 HG3 ARG A 57 -19.524 -21.965 -3.732 1.00 14.45 H new ATOM 0 HD2 ARG A 57 -21.664 -21.847 -2.491 1.00 71.53 H new ATOM 0 HD3 ARG A 57 -20.944 -22.687 -1.133 1.00 71.53 H new ATOM 0 HE ARG A 57 -19.913 -20.028 -2.072 1.00 20.02 H new ATOM 0 HH11 ARG A 57 -21.053 -22.190 0.485 1.00 35.42 H new ATOM 0 HH12 ARG A 57 -20.690 -21.038 1.775 1.00 35.42 H new ATOM 0 HH21 ARG A 57 -19.432 -18.572 -0.405 1.00 33.01 H new ATOM 0 HH22 ARG A 57 -19.778 -19.001 1.273 1.00 33.01 H new ATOM 860 N SER A 58 -17.873 -25.548 -2.307 1.00 22.42 N ATOM 861 CA SER A 58 -16.714 -25.765 -1.446 1.00 70.35 C ATOM 862 C SER A 58 -15.759 -26.815 -2.036 1.00 50.02 C ATOM 863 O SER A 58 -14.528 -26.657 -2.010 1.00 63.20 O ATOM 864 CB SER A 58 -17.189 -26.199 -0.055 1.00 12.11 C ATOM 865 OG SER A 58 -18.164 -25.298 0.447 1.00 40.31 O ATOM 0 H SER A 58 -18.733 -25.979 -1.969 1.00 22.42 H new ATOM 0 HA SER A 58 -16.161 -24.828 -1.370 1.00 70.35 H new ATOM 0 HB2 SER A 58 -17.608 -27.204 -0.106 1.00 12.11 H new ATOM 0 HB3 SER A 58 -16.340 -26.241 0.628 1.00 12.11 H new ATOM 0 HG SER A 58 -18.456 -25.593 1.335 1.00 40.31 H new ATOM 871 N LEU A 59 -16.335 -27.882 -2.577 1.00 35.33 N ATOM 872 CA LEU A 59 -15.556 -29.051 -2.973 1.00 33.30 C ATOM 873 C LEU A 59 -14.631 -28.775 -4.154 1.00 51.22 C ATOM 874 O LEU A 59 -13.551 -29.351 -4.217 1.00 44.13 O ATOM 875 CB LEU A 59 -16.467 -30.255 -3.259 1.00 34.51 C ATOM 876 CG LEU A 59 -16.895 -31.055 -2.016 1.00 64.10 C ATOM 877 CD1 LEU A 59 -15.673 -31.635 -1.298 1.00 21.22 C ATOM 878 CD2 LEU A 59 -17.721 -30.188 -1.066 1.00 63.33 C ATOM 0 H LEU A 59 -17.337 -27.963 -2.752 1.00 35.33 H new ATOM 0 HA LEU A 59 -14.916 -29.295 -2.125 1.00 33.30 H new ATOM 0 HB2 LEU A 59 -17.362 -29.901 -3.771 1.00 34.51 H new ATOM 0 HB3 LEU A 59 -15.952 -30.927 -3.945 1.00 34.51 H new ATOM 0 HG LEU A 59 -17.522 -31.883 -2.347 1.00 64.10 H new ATOM 0 HD11 LEU A 59 -15.998 -32.197 -0.422 1.00 21.22 H new ATOM 0 HD12 LEU A 59 -15.134 -32.298 -1.975 1.00 21.22 H new ATOM 0 HD13 LEU A 59 -15.016 -30.824 -0.985 1.00 21.22 H new ATOM 0 HD21 LEU A 59 -18.011 -30.777 -0.196 1.00 63.33 H new ATOM 0 HD22 LEU A 59 -17.127 -29.333 -0.744 1.00 63.33 H new ATOM 0 HD23 LEU A 59 -18.615 -29.835 -1.580 1.00 63.33 H new ATOM 890 N GLU A 60 -15.026 -27.900 -5.077 1.00 25.40 N ATOM 891 CA GLU A 60 -14.159 -27.587 -6.215 1.00 51.24 C ATOM 892 C GLU A 60 -12.819 -27.016 -5.723 1.00 31.13 C ATOM 893 O GLU A 60 -11.777 -27.628 -5.956 1.00 60.23 O ATOM 894 CB GLU A 60 -14.842 -26.647 -7.226 1.00 44.05 C ATOM 895 CG GLU A 60 -15.947 -27.319 -8.035 1.00 51.15 C ATOM 896 CD GLU A 60 -16.584 -26.380 -9.048 1.00 40.34 C ATOM 897 OE1 GLU A 60 -16.054 -26.262 -10.174 1.00 65.12 O ATOM 898 OE2 GLU A 60 -17.615 -25.753 -8.726 1.00 25.24 O1- ATOM 0 H GLU A 60 -15.918 -27.405 -5.064 1.00 25.40 H new ATOM 0 HA GLU A 60 -13.961 -28.517 -6.748 1.00 51.24 H new ATOM 0 HB2 GLU A 60 -15.262 -25.795 -6.691 1.00 44.05 H new ATOM 0 HB3 GLU A 60 -14.090 -26.255 -7.910 1.00 44.05 H new ATOM 0 HG2 GLU A 60 -15.536 -28.184 -8.555 1.00 51.15 H new ATOM 0 HG3 GLU A 60 -16.715 -27.690 -7.356 1.00 51.15 H new ATOM 905 N PRO A 61 -12.808 -25.869 -4.994 1.00 40.44 N ATOM 906 CA PRO A 61 -11.562 -25.311 -4.457 1.00 20.54 C ATOM 907 C PRO A 61 -10.846 -26.296 -3.525 1.00 64.23 C ATOM 908 O PRO A 61 -9.612 -26.365 -3.522 1.00 41.33 O ATOM 909 CB PRO A 61 -12.007 -24.046 -3.696 1.00 61.44 C ATOM 910 CG PRO A 61 -13.475 -24.208 -3.491 1.00 3.54 C ATOM 911 CD PRO A 61 -13.969 -25.023 -4.655 1.00 61.33 C ATOM 0 HA PRO A 61 -10.842 -25.094 -5.246 1.00 20.54 H new ATOM 0 HB2 PRO A 61 -11.484 -23.955 -2.744 1.00 61.44 H new ATOM 0 HB3 PRO A 61 -11.787 -23.145 -4.268 1.00 61.44 H new ATOM 0 HG2 PRO A 61 -13.684 -24.710 -2.546 1.00 3.54 H new ATOM 0 HG3 PRO A 61 -13.973 -23.239 -3.454 1.00 3.54 H new ATOM 0 HD2 PRO A 61 -14.839 -25.622 -4.386 1.00 61.33 H new ATOM 0 HD3 PRO A 61 -14.264 -24.391 -5.492 1.00 61.33 H new ATOM 919 N GLN A 62 -11.617 -27.068 -2.741 1.00 1.31 N ATOM 920 CA GLN A 62 -11.018 -28.073 -1.852 1.00 64.23 C ATOM 921 C GLN A 62 -10.232 -29.115 -2.657 1.00 72.30 C ATOM 922 O GLN A 62 -9.086 -29.435 -2.329 1.00 45.13 O ATOM 923 CB GLN A 62 -12.084 -28.765 -0.986 1.00 52.44 C ATOM 924 CG GLN A 62 -12.728 -27.850 0.049 1.00 75.21 C ATOM 925 CD GLN A 62 -13.621 -28.598 1.026 1.00 5.22 C ATOM 926 OE1 GLN A 62 -13.175 -29.034 2.084 1.00 5.12 O ATOM 927 NE2 GLN A 62 -14.886 -28.764 0.670 1.00 34.41 N ATOM 0 H GLN A 62 -12.635 -27.017 -2.705 1.00 1.31 H new ATOM 0 HA GLN A 62 -10.329 -27.551 -1.188 1.00 64.23 H new ATOM 0 HB2 GLN A 62 -12.862 -29.166 -1.636 1.00 52.44 H new ATOM 0 HB3 GLN A 62 -11.628 -29.612 -0.474 1.00 52.44 H new ATOM 0 HG2 GLN A 62 -11.947 -27.330 0.604 1.00 75.21 H new ATOM 0 HG3 GLN A 62 -13.316 -27.088 -0.463 1.00 75.21 H new ATOM 0 HE21 GLN A 62 -15.220 -28.387 -0.217 1.00 34.41 H new ATOM 0 HE22 GLN A 62 -15.526 -29.269 1.283 1.00 34.41 H new ATOM 936 N LEU A 63 -10.844 -29.621 -3.725 1.00 4.32 N ATOM 937 CA LEU A 63 -10.210 -30.628 -4.574 1.00 24.11 C ATOM 938 C LEU A 63 -9.017 -30.033 -5.313 1.00 34.30 C ATOM 939 O LEU A 63 -7.967 -30.666 -5.428 1.00 14.04 O ATOM 940 CB LEU A 63 -11.218 -31.206 -5.581 1.00 72.32 C ATOM 941 CG LEU A 63 -12.355 -32.040 -4.969 1.00 45.24 C ATOM 942 CD1 LEU A 63 -13.331 -32.503 -6.048 1.00 73.33 C ATOM 943 CD2 LEU A 63 -11.794 -33.233 -4.201 1.00 74.14 C ATOM 0 H LEU A 63 -11.781 -29.350 -4.024 1.00 4.32 H new ATOM 0 HA LEU A 63 -9.858 -31.436 -3.932 1.00 24.11 H new ATOM 0 HB2 LEU A 63 -11.657 -30.382 -6.144 1.00 72.32 H new ATOM 0 HB3 LEU A 63 -10.677 -31.828 -6.295 1.00 72.32 H new ATOM 0 HG LEU A 63 -12.900 -31.408 -4.268 1.00 45.24 H new ATOM 0 HD11 LEU A 63 -14.127 -33.091 -5.591 1.00 73.33 H new ATOM 0 HD12 LEU A 63 -13.762 -31.634 -6.546 1.00 73.33 H new ATOM 0 HD13 LEU A 63 -12.802 -33.114 -6.779 1.00 73.33 H new ATOM 0 HD21 LEU A 63 -12.615 -33.810 -3.776 1.00 74.14 H new ATOM 0 HD22 LEU A 63 -11.219 -33.864 -4.879 1.00 74.14 H new ATOM 0 HD23 LEU A 63 -11.147 -32.878 -3.399 1.00 74.14 H new ATOM 955 N GLU A 64 -9.176 -28.804 -5.797 1.00 4.53 N ATOM 956 CA GLU A 64 -8.117 -28.140 -6.549 1.00 14.32 C ATOM 957 C GLU A 64 -6.946 -27.786 -5.635 1.00 63.35 C ATOM 958 O GLU A 64 -5.810 -27.648 -6.095 1.00 10.34 O ATOM 959 CB GLU A 64 -8.654 -26.902 -7.283 1.00 61.33 C ATOM 960 CG GLU A 64 -9.806 -27.231 -8.228 1.00 42.54 C ATOM 961 CD GLU A 64 -10.089 -26.145 -9.251 1.00 13.44 C ATOM 962 OE1 GLU A 64 -10.398 -25.006 -8.848 1.00 52.13 O ATOM 963 OE2 GLU A 64 -10.011 -26.438 -10.469 1.00 65.51 O1- ATOM 0 H GLU A 64 -10.025 -28.250 -5.682 1.00 4.53 H new ATOM 0 HA GLU A 64 -7.750 -28.833 -7.306 1.00 14.32 H new ATOM 0 HB2 GLU A 64 -8.989 -26.167 -6.551 1.00 61.33 H new ATOM 0 HB3 GLU A 64 -7.845 -26.441 -7.850 1.00 61.33 H new ATOM 0 HG2 GLU A 64 -9.580 -28.160 -8.751 1.00 42.54 H new ATOM 0 HG3 GLU A 64 -10.707 -27.407 -7.640 1.00 42.54 H new ATOM 970 N LYS A 65 -7.219 -27.648 -4.339 1.00 0.43 N ATOM 971 CA LYS A 65 -6.154 -27.487 -3.350 1.00 4.21 C ATOM 972 C LYS A 65 -5.351 -28.780 -3.223 1.00 63.22 C ATOM 973 O LYS A 65 -4.118 -28.762 -3.289 1.00 64.34 O ATOM 974 CB LYS A 65 -6.713 -27.077 -1.980 1.00 2.10 C ATOM 975 CG LYS A 65 -5.715 -27.283 -0.838 1.00 73.25 C ATOM 976 CD LYS A 65 -6.156 -26.610 0.455 1.00 53.43 C ATOM 977 CE LYS A 65 -6.015 -25.095 0.380 1.00 74.54 C ATOM 978 NZ LYS A 65 -4.615 -24.680 0.088 1.00 62.51 N1+ ATOM 0 H LYS A 65 -8.162 -27.644 -3.951 1.00 0.43 H new ATOM 0 HA LYS A 65 -5.498 -26.688 -3.696 1.00 4.21 H new ATOM 0 HB2 LYS A 65 -7.006 -26.028 -2.013 1.00 2.10 H new ATOM 0 HB3 LYS A 65 -7.615 -27.654 -1.775 1.00 2.10 H new ATOM 0 HG2 LYS A 65 -5.586 -28.351 -0.662 1.00 73.25 H new ATOM 0 HG3 LYS A 65 -4.743 -26.889 -1.135 1.00 73.25 H new ATOM 0 HD2 LYS A 65 -7.194 -26.869 0.664 1.00 53.43 H new ATOM 0 HD3 LYS A 65 -5.560 -26.990 1.284 1.00 53.43 H new ATOM 0 HE2 LYS A 65 -6.677 -24.707 -0.394 1.00 74.54 H new ATOM 0 HE3 LYS A 65 -6.335 -24.654 1.324 1.00 74.54 H new ATOM 0 HZ1 LYS A 65 -4.358 -23.875 0.694 1.00 62.51 H new ATOM 0 HZ2 LYS A 65 -3.971 -25.475 0.276 1.00 62.51 H new ATOM 0 HZ3 LYS A 65 -4.537 -24.400 -0.911 1.00 62.51 H new ATOM 992 N LEU A 66 -6.046 -29.905 -3.049 1.00 12.42 N ATOM 993 CA LEU A 66 -5.373 -31.200 -2.947 1.00 2.43 C ATOM 994 C LEU A 66 -4.635 -31.499 -4.247 1.00 60.12 C ATOM 995 O LEU A 66 -3.589 -32.146 -4.246 1.00 51.14 O ATOM 996 CB LEU A 66 -6.366 -32.325 -2.606 1.00 45.35 C ATOM 997 CG LEU A 66 -7.254 -32.056 -1.378 1.00 74.51 C ATOM 998 CD1 LEU A 66 -8.184 -33.234 -1.111 1.00 61.45 C ATOM 999 CD2 LEU A 66 -6.398 -31.746 -0.149 1.00 41.11 C ATOM 0 H LEU A 66 -7.063 -29.946 -2.976 1.00 12.42 H new ATOM 0 HA LEU A 66 -4.651 -31.151 -2.132 1.00 2.43 H new ATOM 0 HB2 LEU A 66 -7.008 -32.497 -3.470 1.00 45.35 H new ATOM 0 HB3 LEU A 66 -5.806 -33.245 -2.437 1.00 45.35 H new ATOM 0 HG LEU A 66 -7.871 -31.183 -1.590 1.00 74.51 H new ATOM 0 HD11 LEU A 66 -8.801 -33.020 -0.238 1.00 61.45 H new ATOM 0 HD12 LEU A 66 -8.825 -33.395 -1.978 1.00 61.45 H new ATOM 0 HD13 LEU A 66 -7.592 -34.130 -0.925 1.00 61.45 H new ATOM 0 HD21 LEU A 66 -7.046 -31.559 0.708 1.00 41.11 H new ATOM 0 HD22 LEU A 66 -5.749 -32.595 0.065 1.00 41.11 H new ATOM 0 HD23 LEU A 66 -5.789 -30.863 -0.343 1.00 41.11 H new ATOM 1011 N ALA A 67 -5.180 -30.999 -5.354 1.00 43.32 N ATOM 1012 CA ALA A 67 -4.510 -31.085 -6.643 1.00 1.23 C ATOM 1013 C ALA A 67 -3.206 -30.289 -6.602 1.00 3.40 C ATOM 1014 O ALA A 67 -2.150 -30.805 -6.935 1.00 21.23 O ATOM 1015 CB ALA A 67 -5.419 -30.571 -7.753 1.00 34.31 C ATOM 0 H ALA A 67 -6.085 -30.530 -5.381 1.00 43.32 H new ATOM 0 HA ALA A 67 -4.278 -32.129 -6.853 1.00 1.23 H new ATOM 0 HB1 ALA A 67 -4.901 -30.643 -8.710 1.00 34.31 H new ATOM 0 HB2 ALA A 67 -6.328 -31.172 -7.786 1.00 34.31 H new ATOM 0 HB3 ALA A 67 -5.679 -29.530 -7.558 1.00 34.31 H new ATOM 1021 N GLN A 68 -3.299 -29.033 -6.168 1.00 30.24 N ATOM 1022 CA GLN A 68 -2.127 -28.154 -6.036 1.00 34.53 C ATOM 1023 C GLN A 68 -1.022 -28.823 -5.221 1.00 14.40 C ATOM 1024 O GLN A 68 0.138 -28.857 -5.633 1.00 34.01 O ATOM 1025 CB GLN A 68 -2.529 -26.828 -5.360 1.00 73.12 C ATOM 1026 CG GLN A 68 -3.153 -25.804 -6.302 1.00 63.23 C ATOM 1027 CD GLN A 68 -2.116 -25.009 -7.080 1.00 72.52 C ATOM 1028 OE1 GLN A 68 -1.010 -24.761 -6.596 1.00 74.13 O ATOM 1029 NE2 GLN A 68 -2.462 -24.605 -8.290 1.00 35.24 N ATOM 0 H GLN A 68 -4.179 -28.594 -5.899 1.00 30.24 H new ATOM 0 HA GLN A 68 -1.748 -27.955 -7.038 1.00 34.53 H new ATOM 0 HB2 GLN A 68 -3.235 -27.043 -4.558 1.00 73.12 H new ATOM 0 HB3 GLN A 68 -1.646 -26.387 -4.898 1.00 73.12 H new ATOM 0 HG2 GLN A 68 -3.812 -26.316 -7.003 1.00 63.23 H new ATOM 0 HG3 GLN A 68 -3.773 -25.117 -5.725 1.00 63.23 H new ATOM 0 HE21 GLN A 68 -3.387 -24.829 -8.658 1.00 35.24 H new ATOM 0 HE22 GLN A 68 -1.804 -24.069 -8.856 1.00 35.24 H new ATOM 1038 N GLN A 69 -1.402 -29.367 -4.073 1.00 23.22 N ATOM 1039 CA GLN A 69 -0.442 -29.915 -3.121 1.00 22.40 C ATOM 1040 C GLN A 69 0.090 -31.275 -3.578 1.00 3.21 C ATOM 1041 O GLN A 69 1.267 -31.586 -3.383 1.00 75.41 O ATOM 1042 CB GLN A 69 -1.096 -30.023 -1.734 1.00 11.52 C ATOM 1043 CG GLN A 69 -0.158 -30.518 -0.636 1.00 32.44 C ATOM 1044 CD GLN A 69 -0.732 -30.317 0.760 1.00 50.30 C ATOM 1045 OE1 GLN A 69 -0.526 -29.270 1.382 1.00 65.51 O ATOM 1046 NE2 GLN A 69 -1.453 -31.307 1.263 1.00 31.30 N ATOM 0 H GLN A 69 -2.375 -29.441 -3.776 1.00 23.22 H new ATOM 0 HA GLN A 69 0.411 -29.239 -3.064 1.00 22.40 H new ATOM 0 HB2 GLN A 69 -1.484 -29.045 -1.451 1.00 11.52 H new ATOM 0 HB3 GLN A 69 -1.949 -30.698 -1.799 1.00 11.52 H new ATOM 0 HG2 GLN A 69 0.049 -31.577 -0.791 1.00 32.44 H new ATOM 0 HG3 GLN A 69 0.794 -29.993 -0.712 1.00 32.44 H new ATOM 0 HE21 GLN A 69 -1.602 -32.157 0.719 1.00 31.30 H new ATOM 0 HE22 GLN A 69 -1.860 -31.220 2.194 1.00 31.30 H new ATOM 1055 N TYR A 70 -0.772 -32.080 -4.188 1.00 14.41 N ATOM 1056 CA TYR A 70 -0.418 -33.450 -4.566 1.00 60.14 C ATOM 1057 C TYR A 70 -0.158 -33.608 -6.066 1.00 40.42 C ATOM 1058 O TYR A 70 0.087 -34.719 -6.525 1.00 75.22 O ATOM 1059 CB TYR A 70 -1.502 -34.434 -4.110 1.00 23.30 C ATOM 1060 CG TYR A 70 -1.681 -34.490 -2.605 1.00 14.04 C ATOM 1061 CD1 TYR A 70 -2.916 -34.240 -2.018 1.00 64.52 C ATOM 1062 CD2 TYR A 70 -0.607 -34.792 -1.771 1.00 13.23 C ATOM 1063 CE1 TYR A 70 -3.077 -34.289 -0.646 1.00 62.24 C ATOM 1064 CE2 TYR A 70 -0.762 -34.845 -0.400 1.00 4.24 C ATOM 1065 CZ TYR A 70 -1.997 -34.592 0.157 1.00 51.45 C ATOM 1066 OH TYR A 70 -2.153 -34.642 1.523 1.00 12.52 O ATOM 0 H TYR A 70 -1.724 -31.810 -4.434 1.00 14.41 H new ATOM 0 HA TYR A 70 0.518 -33.679 -4.056 1.00 60.14 H new ATOM 0 HB2 TYR A 70 -2.450 -34.155 -4.570 1.00 23.30 H new ATOM 0 HB3 TYR A 70 -1.252 -35.430 -4.475 1.00 23.30 H new ATOM 0 HD1 TYR A 70 -3.764 -34.004 -2.644 1.00 64.52 H new ATOM 0 HD2 TYR A 70 0.363 -34.988 -2.204 1.00 13.23 H new ATOM 0 HE1 TYR A 70 -4.043 -34.091 -0.205 1.00 62.24 H new ATOM 0 HE2 TYR A 70 0.080 -35.083 0.233 1.00 4.24 H new ATOM 0 HH TYR A 70 -2.739 -33.912 1.812 1.00 12.52 H new ATOM 1076 N THR A 71 -0.199 -32.511 -6.826 1.00 61.35 N ATOM 1077 CA THR A 71 -0.043 -32.563 -8.291 1.00 51.44 C ATOM 1078 C THR A 71 1.239 -33.294 -8.707 1.00 2.11 C ATOM 1079 O THR A 71 1.376 -33.733 -9.853 1.00 63.31 O ATOM 1080 CB THR A 71 -0.038 -31.147 -8.918 1.00 32.42 C ATOM 1081 OG1 THR A 71 -0.038 -31.240 -10.353 1.00 20.15 O ATOM 1082 CG2 THR A 71 1.176 -30.339 -8.454 1.00 4.22 C ATOM 0 H THR A 71 -0.339 -31.571 -6.455 1.00 61.35 H new ATOM 0 HA THR A 71 -0.904 -33.118 -8.664 1.00 51.44 H new ATOM 0 HB THR A 71 -0.940 -30.632 -8.587 1.00 32.42 H new ATOM 0 HG1 THR A 71 -0.036 -30.339 -10.739 1.00 20.15 H new ATOM 0 HG21 THR A 71 1.151 -29.350 -8.911 1.00 4.22 H new ATOM 0 HG22 THR A 71 1.153 -30.238 -7.369 1.00 4.22 H new ATOM 0 HG23 THR A 71 2.090 -30.853 -8.751 1.00 4.22 H new ATOM 1090 N GLU A 72 2.174 -33.401 -7.773 1.00 51.24 N ATOM 1091 CA GLU A 72 3.453 -34.063 -8.008 1.00 74.02 C ATOM 1092 C GLU A 72 3.268 -35.573 -8.199 1.00 60.10 C ATOM 1093 O GLU A 72 4.100 -36.233 -8.825 1.00 53.34 O ATOM 1094 CB GLU A 72 4.387 -33.778 -6.826 1.00 21.44 C ATOM 1095 CG GLU A 72 4.498 -32.293 -6.493 1.00 35.12 C ATOM 1096 CD GLU A 72 5.381 -32.017 -5.286 1.00 32.11 C ATOM 1097 OE1 GLU A 72 4.946 -32.298 -4.150 1.00 53.51 O ATOM 1098 OE2 GLU A 72 6.508 -31.509 -5.467 1.00 0.13 O1- ATOM 0 H GLU A 72 2.068 -33.031 -6.828 1.00 51.24 H new ATOM 0 HA GLU A 72 3.893 -33.671 -8.925 1.00 74.02 H new ATOM 0 HB2 GLU A 72 4.026 -34.315 -5.949 1.00 21.44 H new ATOM 0 HB3 GLU A 72 5.379 -34.168 -7.053 1.00 21.44 H new ATOM 0 HG2 GLU A 72 4.897 -31.762 -7.357 1.00 35.12 H new ATOM 0 HG3 GLU A 72 3.501 -31.893 -6.306 1.00 35.12 H new ATOM 1105 N ASN A 73 2.172 -36.110 -7.654 1.00 54.34 N ATOM 1106 CA ASN A 73 1.858 -37.543 -7.760 1.00 53.33 C ATOM 1107 C ASN A 73 0.386 -37.751 -8.132 1.00 50.23 C ATOM 1108 O ASN A 73 -0.077 -38.886 -8.254 1.00 40.15 O ATOM 1109 CB ASN A 73 2.137 -38.269 -6.430 1.00 52.25 C ATOM 1110 CG ASN A 73 3.529 -38.000 -5.880 1.00 60.25 C ATOM 1111 OD1 ASN A 73 4.495 -38.682 -6.223 1.00 52.33 O ATOM 1112 ND2 ASN A 73 3.637 -37.016 -5.000 1.00 3.30 N ATOM 0 H ASN A 73 1.481 -35.571 -7.131 1.00 54.34 H new ATOM 0 HA ASN A 73 2.496 -37.957 -8.541 1.00 53.33 H new ATOM 0 HB2 ASN A 73 1.396 -37.960 -5.693 1.00 52.25 H new ATOM 0 HB3 ASN A 73 2.012 -39.342 -6.576 1.00 52.25 H new ATOM 0 HD21 ASN A 73 4.543 -36.802 -4.583 1.00 3.30 H new ATOM 0 HD22 ASN A 73 2.814 -36.472 -4.740 1.00 3.30 H new ATOM 1119 N VAL A 74 -0.340 -36.651 -8.318 1.00 42.24 N ATOM 1120 CA VAL A 74 -1.787 -36.693 -8.536 1.00 72.51 C ATOM 1121 C VAL A 74 -2.182 -35.927 -9.793 1.00 33.41 C ATOM 1122 O VAL A 74 -1.649 -34.849 -10.071 1.00 74.22 O ATOM 1123 CB VAL A 74 -2.547 -36.119 -7.301 1.00 15.53 C ATOM 1124 CG1 VAL A 74 -3.960 -35.653 -7.649 1.00 23.10 C ATOM 1125 CG2 VAL A 74 -2.594 -37.156 -6.182 1.00 50.05 C ATOM 0 H VAL A 74 0.054 -35.710 -8.322 1.00 42.24 H new ATOM 0 HA VAL A 74 -2.068 -37.737 -8.671 1.00 72.51 H new ATOM 0 HB VAL A 74 -1.994 -35.243 -6.963 1.00 15.53 H new ATOM 0 HG11 VAL A 74 -4.445 -35.263 -6.754 1.00 23.10 H new ATOM 0 HG12 VAL A 74 -3.909 -34.870 -8.405 1.00 23.10 H new ATOM 0 HG13 VAL A 74 -4.535 -36.494 -8.036 1.00 23.10 H new ATOM 0 HG21 VAL A 74 -3.127 -36.743 -5.326 1.00 50.05 H new ATOM 0 HG22 VAL A 74 -3.110 -38.049 -6.535 1.00 50.05 H new ATOM 0 HG23 VAL A 74 -1.578 -37.418 -5.885 1.00 50.05 H new ATOM 1135 N LYS A 75 -3.113 -36.501 -10.550 1.00 71.33 N ATOM 1136 CA LYS A 75 -3.669 -35.860 -11.736 1.00 20.41 C ATOM 1137 C LYS A 75 -5.185 -36.024 -11.706 1.00 63.15 C ATOM 1138 O LYS A 75 -5.682 -37.131 -11.497 1.00 32.02 O ATOM 1139 CB LYS A 75 -3.083 -36.486 -13.017 1.00 33.32 C ATOM 1140 CG LYS A 75 -2.676 -35.469 -14.079 1.00 15.44 C ATOM 1141 CD LYS A 75 -1.520 -34.604 -13.593 1.00 32.33 C ATOM 1142 CE LYS A 75 -0.977 -33.697 -14.693 1.00 62.53 C ATOM 1143 NZ LYS A 75 -1.942 -32.633 -15.071 1.00 41.05 N1+ ATOM 0 H LYS A 75 -3.503 -37.424 -10.358 1.00 71.33 H new ATOM 0 HA LYS A 75 -3.411 -34.801 -11.738 1.00 20.41 H new ATOM 0 HB2 LYS A 75 -2.212 -37.084 -12.750 1.00 33.32 H new ATOM 0 HB3 LYS A 75 -3.819 -37.167 -13.445 1.00 33.32 H new ATOM 0 HG2 LYS A 75 -2.387 -35.988 -14.993 1.00 15.44 H new ATOM 0 HG3 LYS A 75 -3.528 -34.837 -14.328 1.00 15.44 H new ATOM 0 HD2 LYS A 75 -1.853 -33.994 -12.753 1.00 32.33 H new ATOM 0 HD3 LYS A 75 -0.719 -35.245 -13.224 1.00 32.33 H new ATOM 0 HE2 LYS A 75 -0.047 -33.239 -14.357 1.00 62.53 H new ATOM 0 HE3 LYS A 75 -0.738 -34.297 -15.571 1.00 62.53 H new ATOM 0 HZ1 LYS A 75 -2.119 -32.673 -16.095 1.00 41.05 H new ATOM 0 HZ2 LYS A 75 -2.836 -32.777 -14.559 1.00 41.05 H new ATOM 0 HZ3 LYS A 75 -1.548 -31.703 -14.824 1.00 41.05 H new ATOM 1157 N ILE A 76 -5.920 -34.932 -11.888 1.00 10.31 N ATOM 1158 CA ILE A 76 -7.383 -34.987 -11.814 1.00 43.12 C ATOM 1159 C ILE A 76 -8.008 -34.553 -13.135 1.00 51.15 C ATOM 1160 O ILE A 76 -7.873 -33.394 -13.559 1.00 60.02 O ATOM 1161 CB ILE A 76 -7.954 -34.121 -10.663 1.00 3.10 C ATOM 1162 CG1 ILE A 76 -7.176 -34.377 -9.358 1.00 3.44 C ATOM 1163 CG2 ILE A 76 -9.443 -34.417 -10.467 1.00 13.44 C ATOM 1164 CD1 ILE A 76 -7.682 -33.588 -8.165 1.00 73.14 C ATOM 0 H ILE A 76 -5.537 -34.008 -12.086 1.00 10.31 H new ATOM 0 HA ILE A 76 -7.642 -36.026 -11.609 1.00 43.12 H new ATOM 0 HB ILE A 76 -7.840 -33.070 -10.929 1.00 3.10 H new ATOM 0 HG12 ILE A 76 -7.224 -35.440 -9.123 1.00 3.44 H new ATOM 0 HG13 ILE A 76 -6.126 -34.134 -9.521 1.00 3.44 H new ATOM 0 HG21 ILE A 76 -9.832 -33.802 -9.655 1.00 13.44 H new ATOM 0 HG22 ILE A 76 -9.983 -34.190 -11.386 1.00 13.44 H new ATOM 0 HG23 ILE A 76 -9.575 -35.470 -10.220 1.00 13.44 H new ATOM 0 HD11 ILE A 76 -7.080 -33.827 -7.289 1.00 73.14 H new ATOM 0 HD12 ILE A 76 -7.608 -32.521 -8.376 1.00 73.14 H new ATOM 0 HD13 ILE A 76 -8.723 -33.848 -7.972 1.00 73.14 H new ATOM 1176 N TYR A 77 -8.698 -35.495 -13.771 1.00 3.34 N ATOM 1177 CA TYR A 77 -9.303 -35.283 -15.077 1.00 12.22 C ATOM 1178 C TYR A 77 -10.816 -35.141 -14.958 1.00 34.33 C ATOM 1179 O TYR A 77 -11.438 -35.688 -14.047 1.00 1.44 O ATOM 1180 CB TYR A 77 -8.967 -36.451 -16.011 1.00 23.15 C ATOM 1181 CG TYR A 77 -7.484 -36.599 -16.300 1.00 51.23 C ATOM 1182 CD1 TYR A 77 -6.737 -37.616 -15.718 1.00 62.14 C ATOM 1183 CD2 TYR A 77 -6.835 -35.721 -17.157 1.00 61.02 C ATOM 1184 CE1 TYR A 77 -5.386 -37.751 -15.983 1.00 25.40 C ATOM 1185 CE2 TYR A 77 -5.487 -35.847 -17.426 1.00 34.01 C ATOM 1186 CZ TYR A 77 -4.764 -36.863 -16.838 1.00 2.40 C ATOM 1187 OH TYR A 77 -3.421 -36.999 -17.110 1.00 22.34 O ATOM 0 H TYR A 77 -8.852 -36.429 -13.392 1.00 3.34 H new ATOM 0 HA TYR A 77 -8.898 -34.360 -15.492 1.00 12.22 H new ATOM 0 HB2 TYR A 77 -9.335 -37.376 -15.567 1.00 23.15 H new ATOM 0 HB3 TYR A 77 -9.499 -36.315 -16.953 1.00 23.15 H new ATOM 0 HD1 TYR A 77 -7.219 -38.312 -15.048 1.00 62.14 H new ATOM 0 HD2 TYR A 77 -7.396 -34.924 -17.622 1.00 61.02 H new ATOM 0 HE1 TYR A 77 -4.820 -38.548 -15.523 1.00 25.40 H new ATOM 0 HE2 TYR A 77 -5.000 -35.152 -18.095 1.00 34.01 H new ATOM 0 HH TYR A 77 -3.169 -37.944 -17.051 1.00 22.34 H new ATOM 1197 N LYS A 78 -11.391 -34.399 -15.893 1.00 10.01 N ATOM 1198 CA LYS A 78 -12.829 -34.211 -15.982 1.00 3.41 C ATOM 1199 C LYS A 78 -13.369 -34.948 -17.197 1.00 25.15 C ATOM 1200 O LYS A 78 -12.879 -34.749 -18.318 1.00 45.21 O ATOM 1201 CB LYS A 78 -13.185 -32.723 -16.138 1.00 53.32 C ATOM 1202 CG LYS A 78 -12.893 -31.839 -14.931 1.00 32.43 C ATOM 1203 CD LYS A 78 -13.927 -32.008 -13.816 1.00 31.14 C ATOM 1204 CE LYS A 78 -13.896 -30.823 -12.853 1.00 3.31 C ATOM 1205 NZ LYS A 78 -14.873 -30.963 -11.745 1.00 62.33 N1+ ATOM 0 H LYS A 78 -10.867 -33.907 -16.617 1.00 10.01 H new ATOM 0 HA LYS A 78 -13.270 -34.598 -15.063 1.00 3.41 H new ATOM 0 HB2 LYS A 78 -12.640 -32.327 -16.995 1.00 53.32 H new ATOM 0 HB3 LYS A 78 -14.247 -32.646 -16.372 1.00 53.32 H new ATOM 0 HG2 LYS A 78 -11.903 -32.076 -14.542 1.00 32.43 H new ATOM 0 HG3 LYS A 78 -12.870 -30.796 -15.246 1.00 32.43 H new ATOM 0 HD2 LYS A 78 -14.922 -32.102 -14.250 1.00 31.14 H new ATOM 0 HD3 LYS A 78 -13.729 -32.930 -13.269 1.00 31.14 H new ATOM 0 HE2 LYS A 78 -12.893 -30.723 -12.438 1.00 3.31 H new ATOM 0 HE3 LYS A 78 -14.106 -29.906 -13.404 1.00 3.31 H new ATOM 0 HZ1 LYS A 78 -14.934 -30.067 -11.220 1.00 62.33 H new ATOM 0 HZ2 LYS A 78 -15.808 -31.200 -12.134 1.00 62.33 H new ATOM 0 HZ3 LYS A 78 -14.563 -31.720 -11.103 1.00 62.33 H new ATOM 1219 N ILE A 79 -14.353 -35.802 -16.976 1.00 35.25 N ATOM 1220 CA ILE A 79 -15.173 -36.308 -18.064 1.00 51.22 C ATOM 1221 C ILE A 79 -16.400 -35.409 -18.152 1.00 13.33 C ATOM 1222 O ILE A 79 -17.514 -35.798 -17.800 1.00 3.23 O ATOM 1223 CB ILE A 79 -15.586 -37.791 -17.849 1.00 11.23 C ATOM 1224 CG1 ILE A 79 -14.337 -38.670 -17.654 1.00 75.13 C ATOM 1225 CG2 ILE A 79 -16.424 -38.303 -19.024 1.00 32.21 C ATOM 1226 CD1 ILE A 79 -13.379 -38.660 -18.832 1.00 50.20 C ATOM 0 H ILE A 79 -14.604 -36.160 -16.054 1.00 35.25 H new ATOM 0 HA ILE A 79 -14.605 -36.290 -18.994 1.00 51.22 H new ATOM 0 HB ILE A 79 -16.198 -37.847 -16.949 1.00 11.23 H new ATOM 0 HG12 ILE A 79 -13.805 -38.333 -16.764 1.00 75.13 H new ATOM 0 HG13 ILE A 79 -14.654 -39.696 -17.467 1.00 75.13 H new ATOM 0 HG21 ILE A 79 -16.700 -39.343 -18.848 1.00 32.21 H new ATOM 0 HG22 ILE A 79 -17.327 -37.699 -19.118 1.00 32.21 H new ATOM 0 HG23 ILE A 79 -15.843 -38.232 -19.943 1.00 32.21 H new ATOM 0 HD11 ILE A 79 -12.527 -39.304 -18.613 1.00 50.20 H new ATOM 0 HD12 ILE A 79 -13.892 -39.026 -19.721 1.00 50.20 H new ATOM 0 HD13 ILE A 79 -13.029 -37.643 -19.008 1.00 50.20 H new ATOM 1238 N ASN A 80 -16.162 -34.163 -18.548 1.00 52.33 N ATOM 1239 CA ASN A 80 -17.196 -33.139 -18.514 1.00 2.04 C ATOM 1240 C ASN A 80 -18.084 -33.225 -19.746 1.00 60.11 C ATOM 1241 O ASN A 80 -17.799 -32.624 -20.781 1.00 23.20 O ATOM 1242 CB ASN A 80 -16.576 -31.740 -18.391 1.00 23.44 C ATOM 1243 CG ASN A 80 -17.618 -30.662 -18.128 1.00 12.41 C ATOM 1244 OD1 ASN A 80 -18.158 -30.058 -19.052 1.00 32.04 O ATOM 1245 ND2 ASN A 80 -17.915 -30.419 -16.857 1.00 24.31 N ATOM 0 H ASN A 80 -15.260 -33.839 -18.897 1.00 52.33 H new ATOM 0 HA ASN A 80 -17.815 -33.316 -17.635 1.00 2.04 H new ATOM 0 HB2 ASN A 80 -15.845 -31.740 -17.582 1.00 23.44 H new ATOM 0 HB3 ASN A 80 -16.036 -31.503 -19.308 1.00 23.44 H new ATOM 0 HD21 ASN A 80 -18.611 -29.712 -16.622 1.00 24.31 H new ATOM 0 HD22 ASN A 80 -17.447 -30.940 -16.115 1.00 24.31 H new ATOM 1252 N ILE A 81 -19.138 -34.020 -19.630 1.00 22.21 N ATOM 1253 CA ILE A 81 -20.136 -34.152 -20.677 1.00 54.13 C ATOM 1254 C ILE A 81 -21.520 -34.032 -20.046 1.00 65.23 C ATOM 1255 O ILE A 81 -21.923 -34.884 -19.259 1.00 21.40 O ATOM 1256 CB ILE A 81 -20.017 -35.515 -21.419 1.00 63.43 C ATOM 1257 CG1 ILE A 81 -18.583 -35.730 -21.943 1.00 0.10 C ATOM 1258 CG2 ILE A 81 -21.025 -35.588 -22.566 1.00 45.20 C ATOM 1259 CD1 ILE A 81 -18.358 -37.078 -22.602 1.00 64.23 C ATOM 0 H ILE A 81 -19.324 -34.591 -18.806 1.00 22.21 H new ATOM 0 HA ILE A 81 -19.976 -33.363 -21.412 1.00 54.13 H new ATOM 0 HB ILE A 81 -20.242 -36.311 -20.709 1.00 63.43 H new ATOM 0 HG12 ILE A 81 -18.348 -34.944 -22.660 1.00 0.10 H new ATOM 0 HG13 ILE A 81 -17.885 -35.623 -21.113 1.00 0.10 H new ATOM 0 HG21 ILE A 81 -20.929 -36.547 -23.075 1.00 45.20 H new ATOM 0 HG22 ILE A 81 -22.035 -35.487 -22.169 1.00 45.20 H new ATOM 0 HG23 ILE A 81 -20.831 -34.781 -23.273 1.00 45.20 H new ATOM 0 HD11 ILE A 81 -17.325 -37.149 -22.943 1.00 64.23 H new ATOM 0 HD12 ILE A 81 -18.558 -37.872 -21.883 1.00 64.23 H new ATOM 0 HD13 ILE A 81 -19.029 -37.183 -23.455 1.00 64.23 H new ATOM 1271 N GLU A 82 -22.237 -32.966 -20.367 1.00 34.03 N ATOM 1272 CA GLU A 82 -23.567 -32.743 -19.797 1.00 12.21 C ATOM 1273 C GLU A 82 -24.527 -33.873 -20.187 1.00 64.13 C ATOM 1274 O GLU A 82 -25.572 -34.050 -19.566 1.00 42.22 O ATOM 1275 CB GLU A 82 -24.122 -31.351 -20.173 1.00 14.33 C ATOM 1276 CG GLU A 82 -23.479 -30.706 -21.399 1.00 12.32 C ATOM 1277 CD GLU A 82 -23.787 -31.440 -22.690 1.00 44.14 C ATOM 1278 OE1 GLU A 82 -24.742 -31.038 -23.392 1.00 64.21 O ATOM 1279 OE2 GLU A 82 -23.071 -32.409 -23.015 1.00 51.21 O1- ATOM 0 H GLU A 82 -21.927 -32.242 -21.015 1.00 34.03 H new ATOM 0 HA GLU A 82 -23.473 -32.757 -18.711 1.00 12.21 H new ATOM 0 HB2 GLU A 82 -25.194 -31.440 -20.349 1.00 14.33 H new ATOM 0 HB3 GLU A 82 -23.993 -30.683 -19.321 1.00 14.33 H new ATOM 0 HG2 GLU A 82 -23.825 -29.676 -21.483 1.00 12.32 H new ATOM 0 HG3 GLU A 82 -22.399 -30.669 -21.258 1.00 12.32 H new ATOM 1286 N ASP A 83 -24.169 -34.627 -21.224 1.00 63.52 N ATOM 1287 CA ASP A 83 -24.925 -35.823 -21.619 1.00 11.04 C ATOM 1288 C ASP A 83 -24.511 -37.056 -20.798 1.00 33.50 C ATOM 1289 O ASP A 83 -24.800 -38.191 -21.193 1.00 21.21 O ATOM 1290 CB ASP A 83 -24.720 -36.133 -23.111 1.00 23.45 C ATOM 1291 CG ASP A 83 -25.322 -35.091 -24.039 1.00 52.42 C ATOM 1292 OD1 ASP A 83 -26.531 -34.795 -23.911 1.00 43.25 O ATOM 1293 OD2 ASP A 83 -24.599 -34.594 -24.928 1.00 25.20 O1- ATOM 0 H ASP A 83 -23.357 -34.433 -21.811 1.00 63.52 H new ATOM 0 HA ASP A 83 -25.976 -35.606 -21.427 1.00 11.04 H new ATOM 0 HB2 ASP A 83 -23.652 -36.213 -23.313 1.00 23.45 H new ATOM 0 HB3 ASP A 83 -25.161 -37.104 -23.335 1.00 23.45 H new ATOM 1298 N ASN A 84 -23.838 -36.846 -19.663 1.00 32.21 N ATOM 1299 CA ASN A 84 -23.374 -37.959 -18.816 1.00 13.34 C ATOM 1300 C ASN A 84 -24.501 -38.592 -17.996 1.00 61.05 C ATOM 1301 O ASN A 84 -24.383 -38.739 -16.778 1.00 23.22 O ATOM 1302 CB ASN A 84 -22.248 -37.510 -17.865 1.00 61.11 C ATOM 1303 CG ASN A 84 -20.878 -37.502 -18.520 1.00 73.53 C ATOM 1304 OD1 ASN A 84 -20.606 -38.274 -19.439 1.00 44.50 O ATOM 1305 ND2 ASN A 84 -19.999 -36.640 -18.037 1.00 3.45 N ATOM 0 H ASN A 84 -23.601 -35.920 -19.307 1.00 32.21 H new ATOM 0 HA ASN A 84 -22.993 -38.713 -19.504 1.00 13.34 H new ATOM 0 HB2 ASN A 84 -22.472 -36.510 -17.494 1.00 61.11 H new ATOM 0 HB3 ASN A 84 -22.226 -38.173 -17.000 1.00 61.11 H new ATOM 0 HD21 ASN A 84 -19.057 -36.599 -18.427 1.00 3.45 H new ATOM 0 HD22 ASN A 84 -20.263 -36.016 -17.274 1.00 3.45 H new ATOM 1312 N GLN A 85 -25.588 -38.979 -18.652 1.00 14.34 N ATOM 1313 CA GLN A 85 -26.607 -39.792 -17.997 1.00 73.43 C ATOM 1314 C GLN A 85 -26.175 -41.249 -18.044 1.00 30.44 C ATOM 1315 O GLN A 85 -25.938 -41.877 -17.013 1.00 11.40 O ATOM 1316 CB GLN A 85 -27.971 -39.633 -18.679 1.00 62.01 C ATOM 1317 CG GLN A 85 -29.053 -40.549 -18.110 1.00 14.43 C ATOM 1318 CD GLN A 85 -30.383 -40.414 -18.829 1.00 52.52 C ATOM 1319 OE1 GLN A 85 -30.732 -39.340 -19.322 1.00 30.11 O ATOM 1320 NE2 GLN A 85 -31.131 -41.505 -18.897 1.00 22.33 N ATOM 0 H GLN A 85 -25.786 -38.747 -19.625 1.00 14.34 H new ATOM 0 HA GLN A 85 -26.711 -39.460 -16.964 1.00 73.43 H new ATOM 0 HB2 GLN A 85 -28.297 -38.597 -18.583 1.00 62.01 H new ATOM 0 HB3 GLN A 85 -27.860 -39.835 -19.744 1.00 62.01 H new ATOM 0 HG2 GLN A 85 -28.716 -41.584 -18.173 1.00 14.43 H new ATOM 0 HG3 GLN A 85 -29.193 -40.323 -17.053 1.00 14.43 H new ATOM 0 HE21 GLN A 85 -30.804 -42.374 -18.475 1.00 22.33 H new ATOM 0 HE22 GLN A 85 -32.034 -41.476 -19.371 1.00 22.33 H new ATOM 1329 N ASP A 86 -26.029 -41.752 -19.265 1.00 11.41 N ATOM 1330 CA ASP A 86 -25.663 -43.143 -19.514 1.00 44.11 C ATOM 1331 C ASP A 86 -24.463 -43.551 -18.669 1.00 63.32 C ATOM 1332 O ASP A 86 -24.492 -44.574 -17.986 1.00 33.14 O ATOM 1333 CB ASP A 86 -25.343 -43.338 -21.002 1.00 54.34 C ATOM 1334 CG ASP A 86 -26.499 -42.928 -21.900 1.00 51.54 C ATOM 1335 OD1 ASP A 86 -27.251 -43.814 -22.356 1.00 24.41 O ATOM 1336 OD2 ASP A 86 -26.664 -41.711 -22.147 1.00 5.23 O1- ATOM 0 H ASP A 86 -26.162 -41.204 -20.115 1.00 11.41 H new ATOM 0 HA ASP A 86 -26.507 -43.775 -19.237 1.00 44.11 H new ATOM 0 HB2 ASP A 86 -24.460 -42.754 -21.261 1.00 54.34 H new ATOM 0 HB3 ASP A 86 -25.098 -44.384 -21.184 1.00 54.34 H new ATOM 1341 N VAL A 87 -23.424 -42.724 -18.701 1.00 53.31 N ATOM 1342 CA VAL A 87 -22.206 -42.974 -17.935 1.00 43.31 C ATOM 1343 C VAL A 87 -22.527 -43.126 -16.446 1.00 71.01 C ATOM 1344 O VAL A 87 -21.940 -43.960 -15.752 1.00 44.23 O ATOM 1345 CB VAL A 87 -21.175 -41.834 -18.135 1.00 24.23 C ATOM 1346 CG1 VAL A 87 -19.888 -42.109 -17.357 1.00 42.44 C ATOM 1347 CG2 VAL A 87 -20.879 -41.630 -19.622 1.00 22.14 C ATOM 0 H VAL A 87 -23.400 -41.867 -19.254 1.00 53.31 H new ATOM 0 HA VAL A 87 -21.770 -43.903 -18.302 1.00 43.31 H new ATOM 0 HB VAL A 87 -21.610 -40.915 -17.742 1.00 24.23 H new ATOM 0 HG11 VAL A 87 -19.184 -41.292 -17.517 1.00 42.44 H new ATOM 0 HG12 VAL A 87 -20.115 -42.189 -16.294 1.00 42.44 H new ATOM 0 HG13 VAL A 87 -19.445 -43.042 -17.704 1.00 42.44 H new ATOM 0 HG21 VAL A 87 -20.153 -40.826 -19.741 1.00 22.14 H new ATOM 0 HG22 VAL A 87 -20.473 -42.550 -20.042 1.00 22.14 H new ATOM 0 HG23 VAL A 87 -21.800 -41.368 -20.144 1.00 22.14 H new ATOM 1357 N ALA A 88 -23.490 -42.341 -15.966 1.00 74.24 N ATOM 1358 CA ALA A 88 -23.871 -42.382 -14.560 1.00 11.24 C ATOM 1359 C ALA A 88 -24.583 -43.696 -14.254 1.00 40.14 C ATOM 1360 O ALA A 88 -24.353 -44.314 -13.214 1.00 31.23 O ATOM 1361 CB ALA A 88 -24.754 -41.188 -14.204 1.00 44.41 C ATOM 0 H ALA A 88 -24.017 -41.673 -16.529 1.00 74.24 H new ATOM 0 HA ALA A 88 -22.970 -42.323 -13.949 1.00 11.24 H new ATOM 0 HB1 ALA A 88 -25.027 -41.239 -13.150 1.00 44.41 H new ATOM 0 HB2 ALA A 88 -24.209 -40.263 -14.394 1.00 44.41 H new ATOM 0 HB3 ALA A 88 -25.657 -41.209 -14.814 1.00 44.41 H new ATOM 1367 N THR A 89 -25.430 -44.122 -15.184 1.00 43.13 N ATOM 1368 CA THR A 89 -26.177 -45.364 -15.042 1.00 3.03 C ATOM 1369 C THR A 89 -25.238 -46.573 -15.127 1.00 72.34 C ATOM 1370 O THR A 89 -25.489 -47.620 -14.524 1.00 54.24 O ATOM 1371 CB THR A 89 -27.262 -45.481 -16.141 1.00 23.32 C ATOM 1372 OG1 THR A 89 -27.863 -44.197 -16.376 1.00 72.42 O ATOM 1373 CG2 THR A 89 -28.343 -46.480 -15.736 1.00 3.52 C ATOM 0 H THR A 89 -25.617 -43.619 -16.052 1.00 43.13 H new ATOM 0 HA THR A 89 -26.659 -45.351 -14.064 1.00 3.03 H new ATOM 0 HB THR A 89 -26.783 -45.835 -17.054 1.00 23.32 H new ATOM 0 HG1 THR A 89 -28.547 -44.279 -17.073 1.00 72.42 H new ATOM 0 HG21 THR A 89 -29.093 -46.544 -16.524 1.00 3.52 H new ATOM 0 HG22 THR A 89 -27.893 -47.461 -15.583 1.00 3.52 H new ATOM 0 HG23 THR A 89 -28.816 -46.149 -14.811 1.00 3.52 H new ATOM 1381 N GLN A 90 -24.154 -46.417 -15.884 1.00 45.13 N ATOM 1382 CA GLN A 90 -23.178 -47.485 -16.072 1.00 11.14 C ATOM 1383 C GLN A 90 -22.308 -47.661 -14.831 1.00 24.42 C ATOM 1384 O GLN A 90 -22.118 -48.779 -14.346 1.00 33.43 O ATOM 1385 CB GLN A 90 -22.299 -47.191 -17.293 1.00 21.33 C ATOM 1386 CG GLN A 90 -23.060 -47.215 -18.613 1.00 23.40 C ATOM 1387 CD GLN A 90 -23.700 -48.564 -18.900 1.00 32.12 C ATOM 1388 OE1 GLN A 90 -24.835 -48.829 -18.499 1.00 31.51 O ATOM 1389 NE2 GLN A 90 -22.980 -49.423 -19.603 1.00 52.44 N ATOM 0 H GLN A 90 -23.930 -45.554 -16.380 1.00 45.13 H new ATOM 0 HA GLN A 90 -23.723 -48.414 -16.239 1.00 11.14 H new ATOM 0 HB2 GLN A 90 -21.835 -46.213 -17.169 1.00 21.33 H new ATOM 0 HB3 GLN A 90 -21.493 -47.923 -17.335 1.00 21.33 H new ATOM 0 HG2 GLN A 90 -23.834 -46.447 -18.595 1.00 23.40 H new ATOM 0 HG3 GLN A 90 -22.378 -46.961 -19.425 1.00 23.40 H new ATOM 0 HE21 GLN A 90 -22.044 -49.167 -19.917 1.00 52.44 H new ATOM 0 HE22 GLN A 90 -23.361 -50.341 -19.831 1.00 52.44 H new ATOM 1398 N TYR A 91 -21.782 -46.553 -14.322 1.00 23.00 N ATOM 1399 CA TYR A 91 -20.905 -46.582 -13.153 1.00 63.04 C ATOM 1400 C TYR A 91 -21.707 -46.508 -11.852 1.00 53.41 C ATOM 1401 O TYR A 91 -21.154 -46.701 -10.767 1.00 53.15 O ATOM 1402 CB TYR A 91 -19.885 -45.435 -13.220 1.00 50.03 C ATOM 1403 CG TYR A 91 -18.829 -45.619 -14.297 1.00 40.41 C ATOM 1404 CD1 TYR A 91 -17.604 -46.213 -14.004 1.00 1.24 C ATOM 1405 CD2 TYR A 91 -19.058 -45.209 -15.606 1.00 62.23 C ATOM 1406 CE1 TYR A 91 -16.642 -46.387 -14.981 1.00 31.01 C ATOM 1407 CE2 TYR A 91 -18.101 -45.381 -16.588 1.00 43.30 C ATOM 1408 CZ TYR A 91 -16.896 -45.971 -16.270 1.00 51.11 C ATOM 1409 OH TYR A 91 -15.939 -46.146 -17.245 1.00 21.33 O ATOM 0 H TYR A 91 -21.947 -45.620 -14.700 1.00 23.00 H new ATOM 0 HA TYR A 91 -20.369 -47.531 -13.161 1.00 63.04 H new ATOM 0 HB2 TYR A 91 -20.415 -44.499 -13.399 1.00 50.03 H new ATOM 0 HB3 TYR A 91 -19.392 -45.342 -12.252 1.00 50.03 H new ATOM 0 HD1 TYR A 91 -17.402 -46.543 -12.996 1.00 1.24 H new ATOM 0 HD2 TYR A 91 -20.001 -44.748 -15.860 1.00 62.23 H new ATOM 0 HE1 TYR A 91 -15.696 -46.847 -14.735 1.00 31.01 H new ATOM 0 HE2 TYR A 91 -18.296 -45.055 -17.599 1.00 43.30 H new ATOM 0 HH TYR A 91 -16.275 -45.800 -18.098 1.00 21.33 H new ATOM 1419 N GLY A 92 -23.003 -46.220 -11.965 1.00 22.12 N ATOM 1420 CA GLY A 92 -23.864 -46.155 -10.793 1.00 65.55 C ATOM 1421 C GLY A 92 -23.522 -44.974 -9.905 1.00 41.00 C ATOM 1422 O GLY A 92 -23.233 -45.136 -8.718 1.00 12.12 O ATOM 0 H GLY A 92 -23.473 -46.030 -12.850 1.00 22.12 H new ATOM 0 HA2 GLY A 92 -24.904 -46.081 -11.110 1.00 65.55 H new ATOM 0 HA3 GLY A 92 -23.770 -47.078 -10.221 1.00 65.55 H new ATOM 1426 N VAL A 93 -23.548 -43.782 -10.488 1.00 13.51 N ATOM 1427 CA VAL A 93 -23.196 -42.563 -9.770 1.00 13.34 C ATOM 1428 C VAL A 93 -24.345 -42.127 -8.862 1.00 30.02 C ATOM 1429 O VAL A 93 -25.396 -41.694 -9.342 1.00 73.22 O ATOM 1430 CB VAL A 93 -22.839 -41.415 -10.746 1.00 53.43 C ATOM 1431 CG1 VAL A 93 -22.531 -40.126 -9.983 1.00 75.31 C ATOM 1432 CG2 VAL A 93 -21.663 -41.814 -11.639 1.00 13.21 C ATOM 0 H VAL A 93 -23.811 -43.633 -11.462 1.00 13.51 H new ATOM 0 HA VAL A 93 -22.318 -42.782 -9.162 1.00 13.34 H new ATOM 0 HB VAL A 93 -23.703 -41.229 -11.383 1.00 53.43 H new ATOM 0 HG11 VAL A 93 -22.283 -39.335 -10.691 1.00 75.31 H new ATOM 0 HG12 VAL A 93 -23.403 -39.831 -9.400 1.00 75.31 H new ATOM 0 HG13 VAL A 93 -21.687 -40.292 -9.314 1.00 75.31 H new ATOM 0 HG21 VAL A 93 -21.427 -40.994 -12.318 1.00 13.21 H new ATOM 0 HG22 VAL A 93 -20.794 -42.034 -11.019 1.00 13.21 H new ATOM 0 HG23 VAL A 93 -21.929 -42.699 -12.217 1.00 13.21 H new ATOM 1442 N SER A 94 -24.147 -42.265 -7.555 1.00 15.51 N ATOM 1443 CA SER A 94 -25.154 -41.880 -6.571 1.00 63.12 C ATOM 1444 C SER A 94 -25.432 -40.372 -6.623 1.00 52.01 C ATOM 1445 O SER A 94 -26.581 -39.944 -6.778 1.00 33.01 O ATOM 1446 CB SER A 94 -24.677 -42.283 -5.172 1.00 45.35 C ATOM 1447 OG SER A 94 -24.236 -43.634 -5.155 1.00 22.42 O ATOM 0 H SER A 94 -23.291 -42.644 -7.150 1.00 15.51 H new ATOM 0 HA SER A 94 -26.085 -42.398 -6.804 1.00 63.12 H new ATOM 0 HB2 SER A 94 -23.865 -41.627 -4.858 1.00 45.35 H new ATOM 0 HB3 SER A 94 -25.488 -42.152 -4.455 1.00 45.35 H new ATOM 0 HG SER A 94 -23.935 -43.868 -4.252 1.00 22.42 H new ATOM 1453 N ALA A 95 -24.373 -39.573 -6.505 1.00 12.01 N ATOM 1454 CA ALA A 95 -24.493 -38.117 -6.507 1.00 52.44 C ATOM 1455 C ALA A 95 -23.212 -37.476 -7.035 1.00 22.24 C ATOM 1456 O ALA A 95 -22.114 -37.915 -6.699 1.00 22.21 O ATOM 1457 CB ALA A 95 -24.808 -37.607 -5.104 1.00 0.24 C ATOM 0 H ALA A 95 -23.416 -39.913 -6.406 1.00 12.01 H new ATOM 0 HA ALA A 95 -25.314 -37.838 -7.168 1.00 52.44 H new ATOM 0 HB1 ALA A 95 -24.894 -36.521 -5.123 1.00 0.24 H new ATOM 0 HB2 ALA A 95 -25.748 -38.040 -4.762 1.00 0.24 H new ATOM 0 HB3 ALA A 95 -24.007 -37.896 -4.424 1.00 0.24 H new ATOM 1463 N ILE A 96 -23.366 -36.437 -7.853 1.00 40.13 N ATOM 1464 CA ILE A 96 -22.230 -35.739 -8.457 1.00 41.53 C ATOM 1465 C ILE A 96 -21.895 -34.471 -7.663 1.00 24.21 C ATOM 1466 O ILE A 96 -22.797 -33.830 -7.112 1.00 22.54 O ATOM 1467 CB ILE A 96 -22.480 -35.372 -9.953 1.00 44.03 C ATOM 1468 CG1 ILE A 96 -23.744 -34.503 -10.133 1.00 70.20 C ATOM 1469 CG2 ILE A 96 -22.563 -36.635 -10.808 1.00 72.40 C ATOM 1470 CD1 ILE A 96 -25.061 -35.251 -10.025 1.00 75.51 C ATOM 0 H ILE A 96 -24.275 -36.056 -8.115 1.00 40.13 H new ATOM 0 HA ILE A 96 -21.386 -36.428 -8.424 1.00 41.53 H new ATOM 0 HB ILE A 96 -21.631 -34.777 -10.289 1.00 44.03 H new ATOM 0 HG12 ILE A 96 -23.731 -33.711 -9.384 1.00 70.20 H new ATOM 0 HG13 ILE A 96 -23.698 -34.019 -11.109 1.00 70.20 H new ATOM 0 HG21 ILE A 96 -22.738 -36.359 -11.848 1.00 72.40 H new ATOM 0 HG22 ILE A 96 -21.627 -37.188 -10.731 1.00 72.40 H new ATOM 0 HG23 ILE A 96 -23.384 -37.260 -10.455 1.00 72.40 H new ATOM 0 HD11 ILE A 96 -25.888 -34.555 -10.166 1.00 75.51 H new ATOM 0 HD12 ILE A 96 -25.104 -36.025 -10.792 1.00 75.51 H new ATOM 0 HD13 ILE A 96 -25.138 -35.712 -9.040 1.00 75.51 H new ATOM 1482 N PRO A 97 -20.601 -34.067 -7.593 1.00 41.14 N ATOM 1483 CA PRO A 97 -19.481 -34.735 -8.293 1.00 50.44 C ATOM 1484 C PRO A 97 -19.136 -36.107 -7.704 1.00 2.04 C ATOM 1485 O PRO A 97 -19.578 -36.460 -6.605 1.00 63.12 O ATOM 1486 CB PRO A 97 -18.295 -33.763 -8.109 1.00 4.13 C ATOM 1487 CG PRO A 97 -18.891 -32.503 -7.570 1.00 64.14 C ATOM 1488 CD PRO A 97 -20.122 -32.919 -6.813 1.00 35.15 C ATOM 0 HA PRO A 97 -19.733 -34.933 -9.335 1.00 50.44 H new ATOM 0 HB2 PRO A 97 -17.555 -34.173 -7.421 1.00 4.13 H new ATOM 0 HB3 PRO A 97 -17.785 -33.582 -9.055 1.00 4.13 H new ATOM 0 HG2 PRO A 97 -18.187 -31.986 -6.917 1.00 64.14 H new ATOM 0 HG3 PRO A 97 -19.143 -31.814 -8.376 1.00 64.14 H new ATOM 0 HD2 PRO A 97 -19.892 -33.195 -5.784 1.00 35.15 H new ATOM 0 HD3 PRO A 97 -20.862 -32.120 -6.771 1.00 35.15 H new ATOM 1496 N THR A 98 -18.351 -36.874 -8.449 1.00 51.24 N ATOM 1497 CA THR A 98 -17.954 -38.215 -8.041 1.00 74.00 C ATOM 1498 C THR A 98 -16.537 -38.506 -8.527 1.00 5.01 C ATOM 1499 O THR A 98 -16.229 -38.307 -9.704 1.00 43.51 O ATOM 1500 CB THR A 98 -18.925 -39.281 -8.605 1.00 21.00 C ATOM 1501 OG1 THR A 98 -20.259 -39.028 -8.144 1.00 33.40 O ATOM 1502 CG2 THR A 98 -18.504 -40.687 -8.191 1.00 73.42 C ATOM 0 H THR A 98 -17.972 -36.585 -9.351 1.00 51.24 H new ATOM 0 HA THR A 98 -17.987 -38.262 -6.952 1.00 74.00 H new ATOM 0 HB THR A 98 -18.894 -39.216 -9.693 1.00 21.00 H new ATOM 0 HG1 THR A 98 -20.227 -38.466 -7.342 1.00 33.40 H new ATOM 0 HG21 THR A 98 -19.205 -41.413 -8.602 1.00 73.42 H new ATOM 0 HG22 THR A 98 -17.503 -40.894 -8.571 1.00 73.42 H new ATOM 0 HG23 THR A 98 -18.502 -40.761 -7.103 1.00 73.42 H new ATOM 1510 N ILE A 99 -15.686 -38.993 -7.631 1.00 33.32 N ATOM 1511 CA ILE A 99 -14.276 -39.186 -7.943 1.00 62.41 C ATOM 1512 C ILE A 99 -13.931 -40.667 -8.040 1.00 30.42 C ATOM 1513 O ILE A 99 -13.951 -41.388 -7.038 1.00 23.12 O ATOM 1514 CB ILE A 99 -13.382 -38.526 -6.865 1.00 11.51 C ATOM 1515 CG1 ILE A 99 -13.636 -37.009 -6.806 1.00 44.42 C ATOM 1516 CG2 ILE A 99 -11.903 -38.820 -7.126 1.00 43.23 C ATOM 1517 CD1 ILE A 99 -13.257 -36.269 -8.072 1.00 13.43 C ATOM 0 H ILE A 99 -15.949 -39.261 -6.683 1.00 33.32 H new ATOM 0 HA ILE A 99 -14.089 -38.715 -8.908 1.00 62.41 H new ATOM 0 HB ILE A 99 -13.644 -38.955 -5.898 1.00 11.51 H new ATOM 0 HG12 ILE A 99 -14.692 -36.836 -6.599 1.00 44.42 H new ATOM 0 HG13 ILE A 99 -13.075 -36.590 -5.971 1.00 44.42 H new ATOM 0 HG21 ILE A 99 -11.296 -38.345 -6.355 1.00 43.23 H new ATOM 0 HG22 ILE A 99 -11.737 -39.897 -7.106 1.00 43.23 H new ATOM 0 HG23 ILE A 99 -11.621 -38.427 -8.103 1.00 43.23 H new ATOM 0 HD11 ILE A 99 -13.467 -35.206 -7.949 1.00 13.43 H new ATOM 0 HD12 ILE A 99 -12.194 -36.409 -8.271 1.00 13.43 H new ATOM 0 HD13 ILE A 99 -13.837 -36.659 -8.909 1.00 13.43 H new ATOM 1529 N LEU A 100 -13.635 -41.120 -9.254 1.00 43.14 N ATOM 1530 CA LEU A 100 -13.153 -42.480 -9.476 1.00 54.31 C ATOM 1531 C LEU A 100 -11.641 -42.459 -9.668 1.00 72.51 C ATOM 1532 O LEU A 100 -11.132 -41.759 -10.539 1.00 11.02 O ATOM 1533 CB LEU A 100 -13.835 -43.124 -10.697 1.00 62.44 C ATOM 1534 CG LEU A 100 -15.300 -43.560 -10.493 1.00 2.41 C ATOM 1535 CD1 LEU A 100 -16.212 -42.360 -10.274 1.00 3.04 C ATOM 1536 CD2 LEU A 100 -15.786 -44.392 -11.676 1.00 53.13 C ATOM 0 H LEU A 100 -13.721 -40.562 -10.104 1.00 43.14 H new ATOM 0 HA LEU A 100 -13.403 -43.081 -8.602 1.00 54.31 H new ATOM 0 HB2 LEU A 100 -13.798 -42.417 -11.526 1.00 62.44 H new ATOM 0 HB3 LEU A 100 -13.254 -43.996 -10.996 1.00 62.44 H new ATOM 0 HG LEU A 100 -15.338 -44.177 -9.595 1.00 2.41 H new ATOM 0 HD11 LEU A 100 -17.237 -42.703 -10.134 1.00 3.04 H new ATOM 0 HD12 LEU A 100 -15.888 -41.813 -9.388 1.00 3.04 H new ATOM 0 HD13 LEU A 100 -16.165 -41.704 -11.143 1.00 3.04 H new ATOM 0 HD21 LEU A 100 -16.822 -44.689 -11.511 1.00 53.13 H new ATOM 0 HD22 LEU A 100 -15.719 -43.800 -12.589 1.00 53.13 H new ATOM 0 HD23 LEU A 100 -15.165 -45.282 -11.774 1.00 53.13 H new ATOM 1548 N MET A 101 -10.927 -43.213 -8.845 1.00 11.43 N ATOM 1549 CA MET A 101 -9.471 -43.241 -8.898 1.00 4.10 C ATOM 1550 C MET A 101 -9.000 -44.367 -9.815 1.00 43.12 C ATOM 1551 O MET A 101 -9.637 -45.420 -9.889 1.00 65.12 O ATOM 1552 CB MET A 101 -8.877 -43.423 -7.486 1.00 31.24 C ATOM 1553 CG MET A 101 -9.441 -42.460 -6.446 1.00 63.31 C ATOM 1554 SD MET A 101 -8.399 -42.309 -4.984 1.00 12.02 S ATOM 1555 CE MET A 101 -9.169 -40.898 -4.189 1.00 54.53 C ATOM 0 H MET A 101 -11.333 -43.816 -8.130 1.00 11.43 H new ATOM 0 HA MET A 101 -9.123 -42.289 -9.298 1.00 4.10 H new ATOM 0 HB2 MET A 101 -9.059 -44.446 -7.156 1.00 31.24 H new ATOM 0 HB3 MET A 101 -7.796 -43.293 -7.538 1.00 31.24 H new ATOM 0 HG2 MET A 101 -9.565 -41.477 -6.900 1.00 63.31 H new ATOM 0 HG3 MET A 101 -10.432 -42.799 -6.145 1.00 63.31 H new ATOM 0 HE1 MET A 101 -8.526 -40.537 -3.386 1.00 54.53 H new ATOM 0 HE2 MET A 101 -9.316 -40.104 -4.921 1.00 54.53 H new ATOM 0 HE3 MET A 101 -10.133 -41.194 -3.776 1.00 54.53 H new ATOM 1565 N PHE A 102 -7.894 -44.136 -10.516 1.00 13.11 N ATOM 1566 CA PHE A 102 -7.275 -45.149 -11.370 1.00 71.35 C ATOM 1567 C PHE A 102 -5.755 -45.044 -11.276 1.00 34.00 C ATOM 1568 O PHE A 102 -5.218 -43.965 -10.983 1.00 61.02 O ATOM 1569 CB PHE A 102 -7.721 -44.982 -12.832 1.00 21.10 C ATOM 1570 CG PHE A 102 -9.196 -45.222 -13.063 1.00 2.32 C ATOM 1571 CD1 PHE A 102 -10.084 -44.159 -13.159 1.00 2.42 C ATOM 1572 CD2 PHE A 102 -9.691 -46.515 -13.179 1.00 24.22 C ATOM 1573 CE1 PHE A 102 -11.434 -44.379 -13.368 1.00 61.40 C ATOM 1574 CE2 PHE A 102 -11.039 -46.740 -13.388 1.00 73.14 C ATOM 1575 CZ PHE A 102 -11.912 -45.670 -13.482 1.00 3.41 C ATOM 0 H PHE A 102 -7.401 -43.243 -10.509 1.00 13.11 H new ATOM 0 HA PHE A 102 -7.594 -46.132 -11.025 1.00 71.35 H new ATOM 0 HB2 PHE A 102 -7.473 -43.973 -13.163 1.00 21.10 H new ATOM 0 HB3 PHE A 102 -7.151 -45.671 -13.455 1.00 21.10 H new ATOM 0 HD1 PHE A 102 -9.716 -43.147 -13.069 1.00 2.42 H new ATOM 0 HD2 PHE A 102 -9.015 -47.354 -13.105 1.00 24.22 H new ATOM 0 HE1 PHE A 102 -12.113 -43.542 -13.442 1.00 61.40 H new ATOM 0 HE2 PHE A 102 -11.411 -47.750 -13.478 1.00 73.14 H new ATOM 0 HZ PHE A 102 -12.965 -45.844 -13.644 1.00 3.41 H new ATOM 1585 N LYS A 103 -5.058 -46.161 -11.499 1.00 14.01 N ATOM 1586 CA LYS A 103 -3.591 -46.158 -11.496 1.00 2.12 C ATOM 1587 C LYS A 103 -3.044 -47.147 -12.524 1.00 22.12 C ATOM 1588 O LYS A 103 -3.246 -48.353 -12.397 1.00 72.21 O ATOM 1589 CB LYS A 103 -3.051 -46.494 -10.091 1.00 74.24 C ATOM 1590 CG LYS A 103 -1.526 -46.571 -10.009 1.00 43.03 C ATOM 1591 CD LYS A 103 -1.027 -46.922 -8.602 1.00 41.12 C ATOM 1592 CE LYS A 103 -1.269 -45.799 -7.594 1.00 53.33 C ATOM 1593 NZ LYS A 103 -0.508 -46.012 -6.330 1.00 71.52 N1+ ATOM 0 H LYS A 103 -5.480 -47.071 -11.682 1.00 14.01 H new ATOM 0 HA LYS A 103 -3.254 -45.158 -11.768 1.00 2.12 H new ATOM 0 HB2 LYS A 103 -3.404 -45.740 -9.388 1.00 74.24 H new ATOM 0 HB3 LYS A 103 -3.470 -47.448 -9.771 1.00 74.24 H new ATOM 0 HG2 LYS A 103 -1.165 -47.319 -10.715 1.00 43.03 H new ATOM 0 HG3 LYS A 103 -1.101 -45.614 -10.313 1.00 43.03 H new ATOM 0 HD2 LYS A 103 -1.528 -47.827 -8.259 1.00 41.12 H new ATOM 0 HD3 LYS A 103 0.039 -47.144 -8.644 1.00 41.12 H new ATOM 0 HE2 LYS A 103 -0.979 -44.846 -8.036 1.00 53.33 H new ATOM 0 HE3 LYS A 103 -2.334 -45.736 -7.370 1.00 53.33 H new ATOM 0 HZ1 LYS A 103 -0.534 -45.143 -5.759 1.00 71.52 H new ATOM 0 HZ2 LYS A 103 -0.938 -46.792 -5.793 1.00 71.52 H new ATOM 0 HZ3 LYS A 103 0.479 -46.249 -6.555 1.00 71.52 H new ATOM 1607 N ASN A 104 -2.362 -46.621 -13.545 1.00 41.43 N ATOM 1608 CA ASN A 104 -1.740 -47.440 -14.595 1.00 72.22 C ATOM 1609 C ASN A 104 -2.791 -48.319 -15.279 1.00 0.14 C ATOM 1610 O ASN A 104 -2.553 -49.492 -15.574 1.00 72.20 O ATOM 1611 CB ASN A 104 -0.606 -48.306 -14.007 1.00 20.21 C ATOM 1612 CG ASN A 104 0.370 -48.822 -15.064 1.00 24.30 C ATOM 1613 OD1 ASN A 104 0.032 -48.956 -16.239 1.00 10.43 O ATOM 1614 ND2 ASN A 104 1.592 -49.127 -14.648 1.00 31.24 N ATOM 0 H ASN A 104 -2.224 -45.618 -13.669 1.00 41.43 H new ATOM 0 HA ASN A 104 -1.308 -46.774 -15.342 1.00 72.22 H new ATOM 0 HB2 ASN A 104 -0.056 -47.721 -13.270 1.00 20.21 H new ATOM 0 HB3 ASN A 104 -1.042 -49.155 -13.480 1.00 20.21 H new ATOM 0 HD21 ASN A 104 2.282 -49.484 -15.309 1.00 31.24 H new ATOM 0 HD22 ASN A 104 1.842 -49.005 -13.667 1.00 31.24 H new ATOM 1621 N GLY A 105 -3.963 -47.740 -15.525 1.00 32.31 N ATOM 1622 CA GLY A 105 -5.046 -48.474 -16.161 1.00 42.31 C ATOM 1623 C GLY A 105 -5.660 -49.524 -15.252 1.00 34.43 C ATOM 1624 O GLY A 105 -6.560 -50.259 -15.663 1.00 43.11 O ATOM 0 H GLY A 105 -4.184 -46.771 -15.294 1.00 32.31 H new ATOM 0 HA2 GLY A 105 -5.820 -47.773 -16.473 1.00 42.31 H new ATOM 0 HA3 GLY A 105 -4.671 -48.956 -17.064 1.00 42.31 H new ATOM 1628 N LYS A 106 -5.181 -49.591 -14.013 1.00 12.22 N ATOM 1629 CA LYS A 106 -5.649 -50.583 -13.054 1.00 63.04 C ATOM 1630 C LYS A 106 -6.644 -49.963 -12.074 1.00 35.11 C ATOM 1631 O LYS A 106 -6.540 -48.767 -11.730 1.00 44.30 O ATOM 1632 CB LYS A 106 -4.459 -51.209 -12.307 1.00 13.01 C ATOM 1633 CG LYS A 106 -4.852 -52.271 -11.280 1.00 24.15 C ATOM 1634 CD LYS A 106 -3.643 -53.054 -10.766 1.00 53.23 C ATOM 1635 CE LYS A 106 -2.593 -52.148 -10.130 1.00 13.04 C ATOM 1636 NZ LYS A 106 -1.407 -52.916 -9.668 1.00 41.10 N1+ ATOM 0 H LYS A 106 -4.463 -48.964 -13.649 1.00 12.22 H new ATOM 0 HA LYS A 106 -6.165 -51.373 -13.599 1.00 63.04 H new ATOM 0 HB2 LYS A 106 -3.782 -51.657 -13.035 1.00 13.01 H new ATOM 0 HB3 LYS A 106 -3.905 -50.418 -11.801 1.00 13.01 H new ATOM 0 HG2 LYS A 106 -5.356 -51.793 -10.440 1.00 24.15 H new ATOM 0 HG3 LYS A 106 -5.566 -52.962 -11.729 1.00 24.15 H new ATOM 0 HD2 LYS A 106 -3.975 -53.791 -10.035 1.00 53.23 H new ATOM 0 HD3 LYS A 106 -3.192 -53.605 -11.592 1.00 53.23 H new ATOM 0 HE2 LYS A 106 -2.279 -51.394 -10.851 1.00 13.04 H new ATOM 0 HE3 LYS A 106 -3.034 -51.618 -9.286 1.00 13.04 H new ATOM 0 HZ1 LYS A 106 -0.717 -52.265 -9.242 1.00 41.10 H new ATOM 0 HZ2 LYS A 106 -1.703 -53.619 -8.961 1.00 41.10 H new ATOM 0 HZ3 LYS A 106 -0.971 -53.402 -10.478 1.00 41.10 H new ATOM 1650 N LYS A 107 -7.601 -50.797 -11.648 1.00 44.23 N ATOM 1651 CA LYS A 107 -8.685 -50.403 -10.754 1.00 71.41 C ATOM 1652 C LYS A 107 -8.166 -49.809 -9.446 1.00 52.45 C ATOM 1653 O LYS A 107 -7.325 -50.391 -8.759 1.00 11.33 O ATOM 1654 CB LYS A 107 -9.596 -51.611 -10.474 1.00 63.10 C ATOM 1655 CG LYS A 107 -10.614 -51.404 -9.348 1.00 42.24 C ATOM 1656 CD LYS A 107 -11.524 -50.198 -9.585 1.00 71.43 C ATOM 1657 CE LYS A 107 -12.495 -50.000 -8.425 1.00 14.53 C ATOM 1658 NZ LYS A 107 -13.188 -48.684 -8.490 1.00 70.01 N1+ ATOM 0 H LYS A 107 -7.640 -51.779 -11.922 1.00 44.23 H new ATOM 0 HA LYS A 107 -9.260 -49.623 -11.253 1.00 71.41 H new ATOM 0 HB2 LYS A 107 -10.134 -51.862 -11.388 1.00 63.10 H new ATOM 0 HB3 LYS A 107 -8.971 -52.469 -10.226 1.00 63.10 H new ATOM 0 HG2 LYS A 107 -11.226 -52.301 -9.248 1.00 42.24 H new ATOM 0 HG3 LYS A 107 -10.084 -51.273 -8.405 1.00 42.24 H new ATOM 0 HD2 LYS A 107 -10.917 -49.301 -9.711 1.00 71.43 H new ATOM 0 HD3 LYS A 107 -12.083 -50.338 -10.510 1.00 71.43 H new ATOM 0 HE2 LYS A 107 -13.236 -50.800 -8.433 1.00 14.53 H new ATOM 0 HE3 LYS A 107 -11.953 -50.077 -7.482 1.00 14.53 H new ATOM 0 HZ1 LYS A 107 -13.944 -48.654 -7.776 1.00 70.01 H new ATOM 0 HZ2 LYS A 107 -12.505 -47.922 -8.304 1.00 70.01 H new ATOM 0 HZ3 LYS A 107 -13.600 -48.555 -9.436 1.00 70.01 H new ATOM 1672 N LEU A 108 -8.712 -48.649 -9.125 1.00 60.01 N ATOM 1673 CA LEU A 108 -8.381 -47.883 -7.934 1.00 60.42 C ATOM 1674 C LEU A 108 -9.683 -47.365 -7.319 1.00 41.03 C ATOM 1675 O LEU A 108 -10.746 -47.451 -7.949 1.00 12.22 O ATOM 1676 CB LEU A 108 -7.388 -46.749 -8.239 1.00 52.31 C ATOM 1677 CG LEU A 108 -5.997 -46.892 -7.591 1.00 61.41 C ATOM 1678 CD1 LEU A 108 -6.107 -46.896 -6.068 1.00 21.14 C ATOM 1679 CD2 LEU A 108 -5.293 -48.153 -8.088 1.00 11.12 C ATOM 0 H LEU A 108 -9.421 -48.199 -9.704 1.00 60.01 H new ATOM 0 HA LEU A 108 -7.875 -48.526 -7.214 1.00 60.42 H new ATOM 0 HB2 LEU A 108 -7.261 -46.682 -9.319 1.00 52.31 H new ATOM 0 HB3 LEU A 108 -7.827 -45.807 -7.911 1.00 52.31 H new ATOM 0 HG LEU A 108 -5.396 -46.032 -7.885 1.00 61.41 H new ATOM 0 HD11 LEU A 108 -5.113 -46.998 -5.632 1.00 21.14 H new ATOM 0 HD12 LEU A 108 -6.556 -45.961 -5.733 1.00 21.14 H new ATOM 0 HD13 LEU A 108 -6.730 -47.732 -5.750 1.00 21.14 H new ATOM 0 HD21 LEU A 108 -4.313 -48.232 -7.617 1.00 11.12 H new ATOM 0 HD22 LEU A 108 -5.891 -49.028 -7.832 1.00 11.12 H new ATOM 0 HD23 LEU A 108 -5.172 -48.100 -9.170 1.00 11.12 H new ATOM 1691 N SER A 109 -9.608 -46.855 -6.098 1.00 60.43 N ATOM 1692 CA SER A 109 -10.785 -46.645 -5.255 1.00 11.20 C ATOM 1693 C SER A 109 -11.684 -45.512 -5.761 1.00 20.34 C ATOM 1694 O SER A 109 -11.344 -44.799 -6.696 1.00 72.41 O ATOM 1695 CB SER A 109 -10.302 -46.289 -3.843 1.00 32.42 C ATOM 1696 OG SER A 109 -10.242 -47.436 -3.014 1.00 42.25 O ATOM 0 H SER A 109 -8.731 -46.574 -5.660 1.00 60.43 H new ATOM 0 HA SER A 109 -11.375 -47.562 -5.270 1.00 11.20 H new ATOM 0 HB2 SER A 109 -9.316 -45.827 -3.899 1.00 32.42 H new ATOM 0 HB3 SER A 109 -10.974 -45.553 -3.401 1.00 32.42 H new ATOM 0 HG SER A 109 -9.930 -47.179 -2.122 1.00 42.25 H new ATOM 1702 N GLN A 110 -12.851 -45.380 -5.136 1.00 61.23 N ATOM 1703 CA GLN A 110 -13.863 -44.416 -5.554 1.00 74.54 C ATOM 1704 C GLN A 110 -14.490 -43.737 -4.340 1.00 60.21 C ATOM 1705 O GLN A 110 -14.771 -44.388 -3.330 1.00 10.33 O ATOM 1706 CB GLN A 110 -14.947 -45.131 -6.379 1.00 11.44 C ATOM 1707 CG GLN A 110 -16.169 -44.273 -6.703 1.00 71.21 C ATOM 1708 CD GLN A 110 -17.237 -45.040 -7.469 1.00 13.41 C ATOM 1709 OE1 GLN A 110 -17.352 -46.262 -7.348 1.00 25.31 O ATOM 1710 NE2 GLN A 110 -18.035 -44.330 -8.254 1.00 4.42 N ATOM 0 H GLN A 110 -13.121 -45.938 -4.326 1.00 61.23 H new ATOM 0 HA GLN A 110 -13.389 -43.651 -6.168 1.00 74.54 H new ATOM 0 HB2 GLN A 110 -14.505 -45.477 -7.313 1.00 11.44 H new ATOM 0 HB3 GLN A 110 -15.275 -46.016 -5.834 1.00 11.44 H new ATOM 0 HG2 GLN A 110 -16.596 -43.891 -5.776 1.00 71.21 H new ATOM 0 HG3 GLN A 110 -15.856 -43.409 -7.290 1.00 71.21 H new ATOM 0 HE21 GLN A 110 -17.910 -43.320 -8.329 1.00 4.42 H new ATOM 0 HE22 GLN A 110 -18.774 -44.793 -8.783 1.00 4.42 H new ATOM 1719 N VAL A 111 -14.698 -42.428 -4.442 1.00 70.11 N ATOM 1720 CA VAL A 111 -15.377 -41.660 -3.402 1.00 60.35 C ATOM 1721 C VAL A 111 -16.540 -40.877 -4.010 1.00 22.32 C ATOM 1722 O VAL A 111 -16.431 -40.343 -5.120 1.00 33.31 O ATOM 1723 CB VAL A 111 -14.420 -40.690 -2.657 1.00 32.14 C ATOM 1724 CG1 VAL A 111 -13.416 -41.467 -1.805 1.00 22.02 C ATOM 1725 CG2 VAL A 111 -13.695 -39.771 -3.635 1.00 44.03 C ATOM 0 H VAL A 111 -14.402 -41.871 -5.244 1.00 70.11 H new ATOM 0 HA VAL A 111 -15.750 -42.373 -2.667 1.00 60.35 H new ATOM 0 HB VAL A 111 -15.024 -40.068 -1.996 1.00 32.14 H new ATOM 0 HG11 VAL A 111 -12.756 -40.768 -1.292 1.00 22.02 H new ATOM 0 HG12 VAL A 111 -13.951 -42.067 -1.069 1.00 22.02 H new ATOM 0 HG13 VAL A 111 -12.824 -42.121 -2.446 1.00 22.02 H new ATOM 0 HG21 VAL A 111 -13.032 -39.104 -3.084 1.00 44.03 H new ATOM 0 HG22 VAL A 111 -13.109 -40.371 -4.331 1.00 44.03 H new ATOM 0 HG23 VAL A 111 -14.425 -39.181 -4.189 1.00 44.03 H new ATOM 1735 N ILE A 112 -17.651 -40.832 -3.286 1.00 51.33 N ATOM 1736 CA ILE A 112 -18.871 -40.176 -3.754 1.00 62.14 C ATOM 1737 C ILE A 112 -19.356 -39.174 -2.708 1.00 15.21 C ATOM 1738 O ILE A 112 -19.246 -39.423 -1.503 1.00 22.02 O ATOM 1739 CB ILE A 112 -20.004 -41.207 -4.030 1.00 32.24 C ATOM 1740 CG1 ILE A 112 -19.508 -42.329 -4.964 1.00 3.11 C ATOM 1741 CG2 ILE A 112 -21.231 -40.511 -4.628 1.00 52.53 C ATOM 1742 CD1 ILE A 112 -20.559 -43.372 -5.292 1.00 61.34 C ATOM 0 H ILE A 112 -17.735 -41.248 -2.358 1.00 51.33 H new ATOM 0 HA ILE A 112 -18.633 -39.663 -4.686 1.00 62.14 H new ATOM 0 HB ILE A 112 -20.292 -41.658 -3.081 1.00 32.24 H new ATOM 0 HG12 ILE A 112 -19.152 -41.883 -5.893 1.00 3.11 H new ATOM 0 HG13 ILE A 112 -18.654 -42.823 -4.500 1.00 3.11 H new ATOM 0 HG21 ILE A 112 -22.012 -41.248 -4.814 1.00 52.53 H new ATOM 0 HG22 ILE A 112 -21.600 -39.760 -3.930 1.00 52.53 H new ATOM 0 HG23 ILE A 112 -20.955 -40.030 -5.566 1.00 52.53 H new ATOM 0 HD11 ILE A 112 -20.130 -44.125 -5.953 1.00 61.34 H new ATOM 0 HD12 ILE A 112 -20.899 -43.848 -4.372 1.00 61.34 H new ATOM 0 HD13 ILE A 112 -21.404 -42.894 -5.787 1.00 61.34 H new ATOM 1754 N GLY A 113 -19.884 -38.045 -3.171 1.00 41.41 N ATOM 1755 CA GLY A 113 -20.435 -37.051 -2.268 1.00 14.45 C ATOM 1756 C GLY A 113 -19.410 -36.019 -1.851 1.00 3.03 C ATOM 1757 O GLY A 113 -18.460 -35.746 -2.586 1.00 60.32 O ATOM 0 H GLY A 113 -19.940 -37.800 -4.160 1.00 41.41 H new ATOM 0 HA2 GLY A 113 -21.274 -36.551 -2.751 1.00 14.45 H new ATOM 0 HA3 GLY A 113 -20.828 -37.548 -1.381 1.00 14.45 H new ATOM 1761 N ALA A 114 -19.596 -35.450 -0.665 1.00 12.52 N ATOM 1762 CA ALA A 114 -18.723 -34.398 -0.172 1.00 24.52 C ATOM 1763 C ALA A 114 -18.154 -34.734 1.208 1.00 0.33 C ATOM 1764 O ALA A 114 -18.788 -34.474 2.230 1.00 33.13 O ATOM 1765 CB ALA A 114 -19.482 -33.079 -0.125 1.00 15.11 C ATOM 0 H ALA A 114 -20.349 -35.704 -0.026 1.00 12.52 H new ATOM 0 HA ALA A 114 -17.881 -34.309 -0.859 1.00 24.52 H new ATOM 0 HB1 ALA A 114 -18.823 -32.293 0.245 1.00 15.11 H new ATOM 0 HB2 ALA A 114 -19.827 -32.822 -1.127 1.00 15.11 H new ATOM 0 HB3 ALA A 114 -20.340 -33.176 0.540 1.00 15.11 H new ATOM 1771 N ASP A 115 -16.971 -35.338 1.224 1.00 64.24 N ATOM 1772 CA ASP A 115 -16.210 -35.521 2.458 1.00 1.22 C ATOM 1773 C ASP A 115 -14.729 -35.396 2.139 1.00 22.24 C ATOM 1774 O ASP A 115 -14.068 -36.374 1.773 1.00 33.32 O ATOM 1775 CB ASP A 115 -16.501 -36.875 3.120 1.00 64.14 C ATOM 1776 CG ASP A 115 -15.959 -36.937 4.547 1.00 52.23 C ATOM 1777 OD1 ASP A 115 -14.828 -37.423 4.749 1.00 51.14 O ATOM 1778 OD2 ASP A 115 -16.665 -36.491 5.478 1.00 30.13 O1- ATOM 0 H ASP A 115 -16.515 -35.712 0.392 1.00 64.24 H new ATOM 0 HA ASP A 115 -16.511 -34.751 3.169 1.00 1.22 H new ATOM 0 HB2 ASP A 115 -17.577 -37.050 3.132 1.00 64.14 H new ATOM 0 HB3 ASP A 115 -16.055 -37.673 2.527 1.00 64.14 H new ATOM 1783 N ILE A 116 -14.219 -34.176 2.251 1.00 10.14 N ATOM 1784 CA ILE A 116 -12.864 -33.861 1.816 1.00 23.23 C ATOM 1785 C ILE A 116 -11.835 -34.622 2.654 1.00 50.32 C ATOM 1786 O ILE A 116 -10.723 -34.885 2.198 1.00 24.53 O ATOM 1787 CB ILE A 116 -12.589 -32.333 1.883 1.00 35.22 C ATOM 1788 CG1 ILE A 116 -11.301 -31.975 1.121 1.00 23.43 C ATOM 1789 CG2 ILE A 116 -12.518 -31.846 3.329 1.00 34.43 C ATOM 1790 CD1 ILE A 116 -11.371 -32.276 -0.363 1.00 62.15 C ATOM 0 H ILE A 116 -14.728 -33.383 2.642 1.00 10.14 H new ATOM 0 HA ILE A 116 -12.770 -34.176 0.777 1.00 23.23 H new ATOM 0 HB ILE A 116 -13.423 -31.823 1.401 1.00 35.22 H new ATOM 0 HG12 ILE A 116 -11.090 -30.914 1.259 1.00 23.43 H new ATOM 0 HG13 ILE A 116 -10.467 -32.525 1.556 1.00 23.43 H new ATOM 0 HG21 ILE A 116 -12.325 -30.773 3.343 1.00 34.43 H new ATOM 0 HG22 ILE A 116 -13.465 -32.050 3.829 1.00 34.43 H new ATOM 0 HG23 ILE A 116 -11.714 -32.366 3.849 1.00 34.43 H new ATOM 0 HD11 ILE A 116 -10.429 -31.998 -0.835 1.00 62.15 H new ATOM 0 HD12 ILE A 116 -11.551 -33.341 -0.510 1.00 62.15 H new ATOM 0 HD13 ILE A 116 -12.184 -31.705 -0.812 1.00 62.15 H new ATOM 1802 N SER A 117 -12.229 -34.991 3.871 1.00 64.32 N ATOM 1803 CA SER A 117 -11.365 -35.748 4.764 1.00 24.52 C ATOM 1804 C SER A 117 -11.124 -37.149 4.199 1.00 72.20 C ATOM 1805 O SER A 117 -9.991 -37.636 4.165 1.00 63.13 O ATOM 1806 CB SER A 117 -11.995 -35.825 6.161 1.00 2.24 C ATOM 1807 OG SER A 117 -11.103 -36.406 7.098 1.00 54.32 O ATOM 0 H SER A 117 -13.147 -34.775 4.260 1.00 64.32 H new ATOM 0 HA SER A 117 -10.403 -35.242 4.847 1.00 24.52 H new ATOM 0 HB2 SER A 117 -12.273 -34.824 6.492 1.00 2.24 H new ATOM 0 HB3 SER A 117 -12.912 -36.412 6.117 1.00 2.24 H new ATOM 0 HG SER A 117 -11.531 -36.441 7.979 1.00 54.32 H new ATOM 1813 N LYS A 118 -12.196 -37.787 3.739 1.00 24.02 N ATOM 1814 CA LYS A 118 -12.103 -39.108 3.128 1.00 23.25 C ATOM 1815 C LYS A 118 -11.388 -39.019 1.780 1.00 51.14 C ATOM 1816 O LYS A 118 -10.569 -39.876 1.444 1.00 44.54 O ATOM 1817 CB LYS A 118 -13.510 -39.725 2.988 1.00 55.14 C ATOM 1818 CG LYS A 118 -13.615 -40.948 2.072 1.00 21.34 C ATOM 1819 CD LYS A 118 -12.583 -42.037 2.387 1.00 32.24 C ATOM 1820 CE LYS A 118 -12.660 -42.550 3.820 1.00 45.55 C ATOM 1821 NZ LYS A 118 -11.663 -43.631 4.060 1.00 20.35 N1+ ATOM 0 H LYS A 118 -13.142 -37.408 3.778 1.00 24.02 H new ATOM 0 HA LYS A 118 -11.514 -39.762 3.770 1.00 23.25 H new ATOM 0 HB2 LYS A 118 -13.863 -40.007 3.980 1.00 55.14 H new ATOM 0 HB3 LYS A 118 -14.187 -38.957 2.615 1.00 55.14 H new ATOM 0 HG2 LYS A 118 -14.616 -41.371 2.157 1.00 21.34 H new ATOM 0 HG3 LYS A 118 -13.491 -40.629 1.037 1.00 21.34 H new ATOM 0 HD2 LYS A 118 -12.727 -42.872 1.702 1.00 32.24 H new ATOM 0 HD3 LYS A 118 -11.583 -41.643 2.203 1.00 32.24 H new ATOM 0 HE2 LYS A 118 -12.483 -41.728 4.513 1.00 45.55 H new ATOM 0 HE3 LYS A 118 -13.663 -42.926 4.021 1.00 45.55 H new ATOM 0 HZ1 LYS A 118 -11.242 -43.512 5.003 1.00 20.35 H new ATOM 0 HZ2 LYS A 118 -12.134 -44.556 4.006 1.00 20.35 H new ATOM 0 HZ3 LYS A 118 -10.916 -43.580 3.339 1.00 20.35 H new ATOM 1835 N ILE A 119 -11.685 -37.968 1.022 1.00 22.14 N ATOM 1836 CA ILE A 119 -11.035 -37.758 -0.268 1.00 2.21 C ATOM 1837 C ILE A 119 -9.517 -37.659 -0.094 1.00 62.22 C ATOM 1838 O ILE A 119 -8.762 -38.439 -0.685 1.00 24.10 O ATOM 1839 CB ILE A 119 -11.567 -36.483 -0.974 1.00 43.35 C ATOM 1840 CG1 ILE A 119 -13.082 -36.604 -1.221 1.00 44.33 C ATOM 1841 CG2 ILE A 119 -10.818 -36.239 -2.287 1.00 11.44 C ATOM 1842 CD1 ILE A 119 -13.711 -35.362 -1.817 1.00 40.14 C ATOM 0 H ILE A 119 -12.367 -37.253 1.276 1.00 22.14 H new ATOM 0 HA ILE A 119 -11.270 -38.617 -0.896 1.00 2.21 H new ATOM 0 HB ILE A 119 -11.391 -35.626 -0.323 1.00 43.35 H new ATOM 0 HG12 ILE A 119 -13.265 -37.447 -1.888 1.00 44.33 H new ATOM 0 HG13 ILE A 119 -13.576 -36.832 -0.277 1.00 44.33 H new ATOM 0 HG21 ILE A 119 -11.207 -35.340 -2.766 1.00 11.44 H new ATOM 0 HG22 ILE A 119 -9.755 -36.110 -2.081 1.00 11.44 H new ATOM 0 HG23 ILE A 119 -10.958 -37.093 -2.950 1.00 11.44 H new ATOM 0 HD11 ILE A 119 -14.779 -35.528 -1.960 1.00 40.14 H new ATOM 0 HD12 ILE A 119 -13.562 -34.519 -1.142 1.00 40.14 H new ATOM 0 HD13 ILE A 119 -13.246 -35.144 -2.778 1.00 40.14 H new ATOM 1854 N ILE A 120 -9.078 -36.725 0.752 1.00 71.14 N ATOM 1855 CA ILE A 120 -7.652 -36.528 1.005 1.00 1.52 C ATOM 1856 C ILE A 120 -7.052 -37.804 1.604 1.00 44.53 C ATOM 1857 O ILE A 120 -5.924 -38.185 1.270 1.00 2.32 O ATOM 1858 CB ILE A 120 -7.394 -35.292 1.929 1.00 41.41 C ATOM 1859 CG1 ILE A 120 -5.908 -34.849 1.903 1.00 72.14 C ATOM 1860 CG2 ILE A 120 -7.847 -35.567 3.364 1.00 5.22 C ATOM 1861 CD1 ILE A 120 -4.964 -35.700 2.732 1.00 43.13 C ATOM 0 H ILE A 120 -9.689 -36.095 1.272 1.00 71.14 H new ATOM 0 HA ILE A 120 -7.160 -36.319 0.055 1.00 1.52 H new ATOM 0 HB ILE A 120 -7.991 -34.471 1.532 1.00 41.41 H new ATOM 0 HG12 ILE A 120 -5.562 -34.854 0.869 1.00 72.14 H new ATOM 0 HG13 ILE A 120 -5.847 -33.819 2.255 1.00 72.14 H new ATOM 0 HG21 ILE A 120 -7.654 -34.689 3.981 1.00 5.22 H new ATOM 0 HG22 ILE A 120 -8.914 -35.789 3.372 1.00 5.22 H new ATOM 0 HG23 ILE A 120 -7.296 -36.419 3.763 1.00 5.22 H new ATOM 0 HD11 ILE A 120 -3.951 -35.308 2.647 1.00 43.13 H new ATOM 0 HD12 ILE A 120 -5.275 -35.677 3.776 1.00 43.13 H new ATOM 0 HD13 ILE A 120 -4.987 -36.728 2.369 1.00 43.13 H new ATOM 1873 N SER A 121 -7.827 -38.471 2.460 1.00 33.33 N ATOM 1874 CA SER A 121 -7.404 -39.729 3.063 1.00 32.12 C ATOM 1875 C SER A 121 -6.996 -40.727 1.985 1.00 12.31 C ATOM 1876 O SER A 121 -5.895 -41.276 2.021 1.00 23.30 O ATOM 1877 CB SER A 121 -8.526 -40.321 3.932 1.00 43.12 C ATOM 1878 OG SER A 121 -8.163 -41.590 4.454 1.00 42.33 O ATOM 0 H SER A 121 -8.753 -38.157 2.750 1.00 33.33 H new ATOM 0 HA SER A 121 -6.542 -39.527 3.699 1.00 32.12 H new ATOM 0 HB2 SER A 121 -8.751 -39.639 4.752 1.00 43.12 H new ATOM 0 HB3 SER A 121 -9.435 -40.417 3.339 1.00 43.12 H new ATOM 0 HG SER A 121 -8.519 -42.296 3.875 1.00 42.33 H new ATOM 1884 N GLU A 122 -7.875 -40.933 1.010 1.00 14.44 N ATOM 1885 CA GLU A 122 -7.627 -41.917 -0.033 1.00 72.13 C ATOM 1886 C GLU A 122 -6.542 -41.435 -0.989 1.00 73.04 C ATOM 1887 O GLU A 122 -5.827 -42.246 -1.582 1.00 20.21 O ATOM 1888 CB GLU A 122 -8.921 -42.252 -0.786 1.00 32.23 C ATOM 1889 CG GLU A 122 -10.042 -42.743 0.128 1.00 71.24 C ATOM 1890 CD GLU A 122 -9.570 -43.774 1.149 1.00 22.22 C ATOM 1891 OE1 GLU A 122 -9.523 -43.452 2.362 1.00 61.24 O ATOM 1892 OE2 GLU A 122 -9.239 -44.909 0.745 1.00 70.43 O1- ATOM 0 H GLU A 122 -8.760 -40.434 0.922 1.00 14.44 H new ATOM 0 HA GLU A 122 -7.270 -42.831 0.441 1.00 72.13 H new ATOM 0 HB2 GLU A 122 -9.261 -41.366 -1.322 1.00 32.23 H new ATOM 0 HB3 GLU A 122 -8.710 -43.016 -1.534 1.00 32.23 H new ATOM 0 HG2 GLU A 122 -10.474 -41.891 0.653 1.00 71.24 H new ATOM 0 HG3 GLU A 122 -10.835 -43.179 -0.480 1.00 71.24 H new ATOM 1899 N ILE A 123 -6.409 -40.115 -1.141 1.00 11.43 N ATOM 1900 CA ILE A 123 -5.319 -39.564 -1.943 1.00 32.41 C ATOM 1901 C ILE A 123 -3.969 -39.997 -1.366 1.00 5.24 C ATOM 1902 O ILE A 123 -3.168 -40.646 -2.047 1.00 71.51 O ATOM 1903 CB ILE A 123 -5.374 -38.012 -2.019 1.00 73.41 C ATOM 1904 CG1 ILE A 123 -6.644 -37.543 -2.751 1.00 51.34 C ATOM 1905 CG2 ILE A 123 -4.130 -37.458 -2.715 1.00 71.34 C ATOM 1906 CD1 ILE A 123 -6.863 -36.048 -2.687 1.00 15.35 C ATOM 0 H ILE A 123 -7.031 -39.421 -0.727 1.00 11.43 H new ATOM 0 HA ILE A 123 -5.435 -39.954 -2.954 1.00 32.41 H new ATOM 0 HB ILE A 123 -5.401 -37.629 -0.999 1.00 73.41 H new ATOM 0 HG12 ILE A 123 -6.585 -37.849 -3.796 1.00 51.34 H new ATOM 0 HG13 ILE A 123 -7.509 -38.047 -2.320 1.00 51.34 H new ATOM 0 HG21 ILE A 123 -4.190 -36.370 -2.757 1.00 71.34 H new ATOM 0 HG22 ILE A 123 -3.240 -37.751 -2.158 1.00 71.34 H new ATOM 0 HG23 ILE A 123 -4.071 -37.857 -3.728 1.00 71.34 H new ATOM 0 HD11 ILE A 123 -7.776 -35.791 -3.224 1.00 15.35 H new ATOM 0 HD12 ILE A 123 -6.955 -35.738 -1.646 1.00 15.35 H new ATOM 0 HD13 ILE A 123 -6.016 -35.536 -3.145 1.00 15.35 H new ATOM 1918 N ASN A 124 -3.738 -39.694 -0.086 1.00 61.24 N ATOM 1919 CA ASN A 124 -2.455 -40.012 0.550 1.00 42.31 C ATOM 1920 C ASN A 124 -2.325 -41.521 0.758 1.00 20.40 C ATOM 1921 O ASN A 124 -1.214 -42.054 0.833 1.00 70.22 O ATOM 1922 CB ASN A 124 -2.268 -39.253 1.878 1.00 5.10 C ATOM 1923 CG ASN A 124 -3.122 -39.789 3.018 1.00 40.22 C ATOM 1924 OD1 ASN A 124 -4.296 -39.210 3.211 1.00 31.24 O flip ATOM 1925 ND2 ASN A 124 -2.717 -40.701 3.732 1.00 15.41 N flip ATOM 0 H ASN A 124 -4.413 -39.234 0.525 1.00 61.24 H new ATOM 0 HA ASN A 124 -1.661 -39.682 -0.120 1.00 42.31 H new ATOM 0 HB2 ASN A 124 -1.219 -39.302 2.169 1.00 5.10 H new ATOM 0 HB3 ASN A 124 -2.507 -38.201 1.721 1.00 5.10 H new ATOM 0 HD21 ASN A 124 -1.806 -41.123 3.552 1.00 15.41 H new ATOM 0 HD22 ASN A 124 -3.291 -41.037 4.505 1.00 15.41 H new ATOM 1932 N ASN A 125 -3.474 -42.191 0.853 1.00 31.14 N ATOM 1933 CA ASN A 125 -3.535 -43.652 0.948 1.00 72.20 C ATOM 1934 C ASN A 125 -2.953 -44.296 -0.306 1.00 71.23 C ATOM 1935 O ASN A 125 -2.118 -45.199 -0.233 1.00 34.51 O ATOM 1936 CB ASN A 125 -4.998 -44.099 1.138 1.00 65.54 C ATOM 1937 CG ASN A 125 -5.193 -45.610 1.145 1.00 44.14 C ATOM 1938 OD1 ASN A 125 -4.304 -46.371 1.530 1.00 32.44 O ATOM 1939 ND2 ASN A 125 -6.373 -46.057 0.733 1.00 44.23 N ATOM 0 H ASN A 125 -4.388 -41.738 0.866 1.00 31.14 H new ATOM 0 HA ASN A 125 -2.944 -43.972 1.806 1.00 72.20 H new ATOM 0 HB2 ASN A 125 -5.372 -43.691 2.077 1.00 65.54 H new ATOM 0 HB3 ASN A 125 -5.604 -43.669 0.340 1.00 65.54 H new ATOM 0 HD21 ASN A 125 -6.566 -47.059 0.729 1.00 44.23 H new ATOM 0 HD22 ASN A 125 -7.087 -45.399 0.421 1.00 44.23 H new ATOM 1946 N ASN A 126 -3.393 -43.805 -1.458 1.00 24.21 N ATOM 1947 CA ASN A 126 -3.012 -44.379 -2.744 1.00 34.20 C ATOM 1948 C ASN A 126 -1.635 -43.896 -3.191 1.00 61.32 C ATOM 1949 O ASN A 126 -0.950 -44.588 -3.956 1.00 63.21 O ATOM 1950 CB ASN A 126 -4.069 -44.043 -3.802 1.00 71.20 C ATOM 1951 CG ASN A 126 -5.405 -44.716 -3.522 1.00 53.32 C ATOM 1952 OD1 ASN A 126 -5.457 -45.823 -2.992 1.00 60.30 O ATOM 1953 ND2 ASN A 126 -6.497 -44.052 -3.871 1.00 41.12 N ATOM 0 H ASN A 126 -4.020 -43.003 -1.528 1.00 24.21 H new ATOM 0 HA ASN A 126 -2.956 -45.461 -2.626 1.00 34.20 H new ATOM 0 HB2 ASN A 126 -4.210 -42.963 -3.840 1.00 71.20 H new ATOM 0 HB3 ASN A 126 -3.708 -44.352 -4.783 1.00 71.20 H new ATOM 0 HD21 ASN A 126 -7.417 -44.458 -3.701 1.00 41.12 H new ATOM 0 HD22 ASN A 126 -6.418 -43.134 -4.309 1.00 41.12 H new ATOM 1960 N ILE A 127 -1.234 -42.709 -2.739 1.00 24.11 N ATOM 1961 CA ILE A 127 0.103 -42.192 -3.036 1.00 45.52 C ATOM 1962 C ILE A 127 1.163 -42.910 -2.196 1.00 24.03 C ATOM 1963 O ILE A 127 2.164 -43.395 -2.727 1.00 24.55 O ATOM 1964 CB ILE A 127 0.211 -40.662 -2.786 1.00 23.43 C ATOM 1965 CG1 ILE A 127 -0.733 -39.888 -3.718 1.00 53.10 C ATOM 1966 CG2 ILE A 127 1.651 -40.181 -2.968 1.00 51.22 C ATOM 1967 CD1 ILE A 127 -0.695 -38.389 -3.505 1.00 54.51 C ATOM 0 H ILE A 127 -1.811 -42.090 -2.169 1.00 24.11 H new ATOM 0 HA ILE A 127 0.279 -42.381 -4.095 1.00 45.52 H new ATOM 0 HB ILE A 127 -0.088 -40.469 -1.756 1.00 23.43 H new ATOM 0 HG12 ILE A 127 -0.470 -40.107 -4.753 1.00 53.10 H new ATOM 0 HG13 ILE A 127 -1.752 -40.243 -3.567 1.00 53.10 H new ATOM 0 HG21 ILE A 127 1.701 -39.107 -2.788 1.00 51.22 H new ATOM 0 HG22 ILE A 127 2.300 -40.698 -2.261 1.00 51.22 H new ATOM 0 HG23 ILE A 127 1.980 -40.394 -3.985 1.00 51.22 H new ATOM 0 HD11 ILE A 127 -1.385 -37.906 -4.196 1.00 54.51 H new ATOM 0 HD12 ILE A 127 -0.987 -38.160 -2.480 1.00 54.51 H new ATOM 0 HD13 ILE A 127 0.315 -38.021 -3.685 1.00 54.51 H new ATOM 1979 N ASN A 128 0.927 -42.989 -0.891 1.00 64.33 N ATOM 1980 CA ASN A 128 1.909 -43.539 0.044 1.00 71.43 C ATOM 1981 C ASN A 128 1.474 -44.918 0.533 1.00 23.15 C ATOM 1982 O ASN A 128 0.849 -45.000 1.613 1.00 65.33 O ATOM 1983 CB ASN A 128 2.103 -42.589 1.239 1.00 24.12 C ATOM 1984 CG ASN A 128 2.715 -41.257 0.844 1.00 23.51 C ATOM 1985 OD1 ASN A 128 3.935 -41.079 0.887 1.00 5.34 O ATOM 1986 ND2 ASN A 128 1.874 -40.307 0.461 1.00 22.35 N ATOM 1987 OXT ASN A 128 1.767 -45.918 -0.156 1.00 0.00 O1- ATOM 0 H ASN A 128 0.060 -42.678 -0.452 1.00 64.33 H new ATOM 0 HA ASN A 128 2.859 -43.642 -0.480 1.00 71.43 H new ATOM 0 HB2 ASN A 128 1.139 -42.413 1.716 1.00 24.12 H new ATOM 0 HB3 ASN A 128 2.742 -43.071 1.979 1.00 24.12 H new ATOM 0 HD21 ASN A 128 2.230 -39.391 0.189 1.00 22.35 H new ATOM 0 HD22 ASN A 128 0.871 -40.492 0.438 1.00 22.35 H new