USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 791 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 125 ASN : amide:sc= -0.952 K(o=-2.6,f=-0.82) USER MOD Set 1.2: A 126 ASN : amide:sc= -1.62! C(o=-2.6!,f=-2.5!) USER MOD Set 2.1: A 38 CYS SG : rot -81:sc= -9.37! USER MOD Set 2.2: A 104 ASN : amide:sc= -0.936 X(o=-10,f=-10) USER MOD Set 3.1: A 22 MET CE :methyl -150:sc= -0.166 (180deg=-1.04) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0248 K(o=-0.025,f=-1.3!) USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= 1.15 (180deg=-0.332) USER MOD Single : A 36 THR OG1 : rot -90:sc= 1.26 USER MOD Single : A 37 SER OG : rot -32:sc= 0.228 USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 41 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.8!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.59 K(o=-0.59,f=-1.8) USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= -0.0333 (180deg=-0.231) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= -2.61! (180deg=-3.54!) USER MOD Single : A 80 ASN : amide:sc= -2.32! K(o=-2.3!,f=-0.4) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 85 GLN : amide:sc=-0.00786 K(o=-0.0079,f=-0.87) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.01 K(o=-1,f=-5.5!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -47:sc= 0.343 USER MOD Single : A 98 THR OG1 : rot 96:sc= -0.114 USER MOD Single : A 101 MET CE :methyl -109:sc= -0.818 (180deg=-5.02!) USER MOD Single : A 103 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.11) USER MOD Single : A 106 LYS NZ :NH3+ 134:sc= 1.24 (180deg=0.407) USER MOD Single : A 107 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0562) USER MOD Single : A 109 SER OG : rot 133:sc= 0.606 USER MOD Single : A 110 GLN : amide:sc= 0.51 K(o=0.51,f=-0.63) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -172:sc=-0.00877 (180deg=-0.106) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -1.59 K(o=-1.6,f=-8.4!) USER MOD Single : A 128 ASN : amide:sc= -1.92 K(o=-1.9,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 307 N MET A 22 9.167 3.531 7.656 1.00 52.32 N ATOM 308 CA MET A 22 8.731 4.509 6.662 1.00 62.11 C ATOM 309 C MET A 22 7.271 4.233 6.331 1.00 44.12 C ATOM 310 O MET A 22 6.494 5.145 6.031 1.00 13.30 O ATOM 311 CB MET A 22 9.580 4.401 5.381 1.00 43.31 C ATOM 312 CG MET A 22 11.035 4.821 5.547 1.00 32.41 C ATOM 313 SD MET A 22 11.238 6.615 5.613 1.00 1.10 S ATOM 314 CE MET A 22 10.753 7.069 3.944 1.00 42.24 C ATOM 0 HA MET A 22 8.851 5.515 7.065 1.00 62.11 H new ATOM 0 HB2 MET A 22 9.551 3.370 5.028 1.00 43.31 H new ATOM 0 HB3 MET A 22 9.124 5.017 4.606 1.00 43.31 H new ATOM 0 HG2 MET A 22 11.434 4.380 6.460 1.00 32.41 H new ATOM 0 HG3 MET A 22 11.621 4.423 4.718 1.00 32.41 H new ATOM 0 HE1 MET A 22 11.290 7.968 3.641 1.00 42.24 H new ATOM 0 HE2 MET A 22 10.994 6.255 3.261 1.00 42.24 H new ATOM 0 HE3 MET A 22 9.680 7.260 3.916 1.00 42.24 H new ATOM 324 N ILE A 23 6.921 2.947 6.389 1.00 53.13 N ATOM 325 CA ILE A 23 5.547 2.488 6.221 1.00 34.24 C ATOM 326 C ILE A 23 4.648 3.213 7.223 1.00 2.33 C ATOM 327 O ILE A 23 4.709 2.941 8.428 1.00 14.40 O ATOM 328 CB ILE A 23 5.426 0.954 6.459 1.00 33.00 C ATOM 329 CG1 ILE A 23 6.557 0.178 5.761 1.00 44.33 C ATOM 330 CG2 ILE A 23 4.072 0.442 5.989 1.00 51.22 C ATOM 331 CD1 ILE A 23 6.662 0.415 4.267 1.00 34.22 C ATOM 0 H ILE A 23 7.588 2.193 6.555 1.00 53.13 H new ATOM 0 HA ILE A 23 5.241 2.705 5.198 1.00 34.24 H new ATOM 0 HB ILE A 23 5.516 0.785 7.532 1.00 33.00 H new ATOM 0 HG12 ILE A 23 7.505 0.449 6.225 1.00 44.33 H new ATOM 0 HG13 ILE A 23 6.410 -0.888 5.936 1.00 44.33 H new ATOM 0 HG21 ILE A 23 4.008 -0.632 6.164 1.00 51.22 H new ATOM 0 HG22 ILE A 23 3.280 0.948 6.542 1.00 51.22 H new ATOM 0 HG23 ILE A 23 3.957 0.643 4.924 1.00 51.22 H new ATOM 0 HD11 ILE A 23 7.486 -0.173 3.862 1.00 34.22 H new ATOM 0 HD12 ILE A 23 5.731 0.115 3.785 1.00 34.22 H new ATOM 0 HD13 ILE A 23 6.844 1.473 4.078 1.00 34.22 H new ATOM 343 N GLU A 24 3.825 4.137 6.739 1.00 22.31 N ATOM 344 CA GLU A 24 3.057 4.999 7.627 1.00 61.25 C ATOM 345 C GLU A 24 1.874 4.239 8.224 1.00 61.51 C ATOM 346 O GLU A 24 0.946 3.838 7.517 1.00 42.44 O ATOM 347 CB GLU A 24 2.592 6.268 6.899 1.00 61.30 C ATOM 348 CG GLU A 24 2.032 7.340 7.835 1.00 23.11 C ATOM 349 CD GLU A 24 1.703 8.646 7.118 1.00 63.30 C ATOM 350 OE1 GLU A 24 2.576 9.166 6.391 1.00 64.32 O ATOM 351 OE2 GLU A 24 0.581 9.168 7.296 1.00 54.32 O ATOM 0 H GLU A 24 3.674 4.307 5.745 1.00 22.31 H new ATOM 0 HA GLU A 24 3.707 5.309 8.445 1.00 61.25 H new ATOM 0 HB2 GLU A 24 3.431 6.686 6.342 1.00 61.30 H new ATOM 0 HB3 GLU A 24 1.828 5.999 6.170 1.00 61.30 H new ATOM 0 HG2 GLU A 24 1.131 6.959 8.316 1.00 23.11 H new ATOM 0 HG3 GLU A 24 2.756 7.538 8.625 1.00 23.11 H new ATOM 358 N GLN A 25 1.951 4.016 9.528 1.00 61.41 N ATOM 359 CA GLN A 25 0.912 3.320 10.281 1.00 60.31 C ATOM 360 C GLN A 25 -0.347 4.178 10.392 1.00 65.12 C ATOM 361 O GLN A 25 -0.277 5.340 10.810 1.00 32.00 O ATOM 362 CB GLN A 25 1.449 2.955 11.674 1.00 21.35 C ATOM 363 CG GLN A 25 2.082 4.125 12.432 1.00 42.54 C ATOM 364 CD GLN A 25 2.807 3.686 13.691 1.00 72.24 C ATOM 365 OE1 GLN A 25 2.231 3.653 14.775 1.00 30.34 O ATOM 366 NE2 GLN A 25 4.080 3.344 13.551 1.00 35.31 N ATOM 0 H GLN A 25 2.741 4.314 10.100 1.00 61.41 H new ATOM 0 HA GLN A 25 0.642 2.406 9.752 1.00 60.31 H new ATOM 0 HB2 GLN A 25 0.632 2.550 12.271 1.00 21.35 H new ATOM 0 HB3 GLN A 25 2.190 2.162 11.569 1.00 21.35 H new ATOM 0 HG2 GLN A 25 2.783 4.641 11.776 1.00 42.54 H new ATOM 0 HG3 GLN A 25 1.306 4.843 12.697 1.00 42.54 H new ATOM 0 HE21 GLN A 25 4.521 3.386 12.632 1.00 35.31 H new ATOM 0 HE22 GLN A 25 4.618 3.039 14.362 1.00 35.31 H new ATOM 375 N ILE A 26 -1.495 3.613 10.008 1.00 45.22 N ATOM 376 CA ILE A 26 -2.762 4.348 10.034 1.00 24.00 C ATOM 377 C ILE A 26 -3.889 3.490 10.607 1.00 64.21 C ATOM 378 O ILE A 26 -3.803 2.260 10.630 1.00 63.12 O ATOM 379 CB ILE A 26 -3.169 4.841 8.620 1.00 3.41 C ATOM 380 CG1 ILE A 26 -3.359 3.652 7.659 1.00 12.42 C ATOM 381 CG2 ILE A 26 -2.125 5.818 8.077 1.00 0.23 C ATOM 382 CD1 ILE A 26 -3.886 4.041 6.291 1.00 71.13 C ATOM 0 H ILE A 26 -1.573 2.652 9.676 1.00 45.22 H new ATOM 0 HA ILE A 26 -2.605 5.214 10.677 1.00 24.00 H new ATOM 0 HB ILE A 26 -4.122 5.364 8.698 1.00 3.41 H new ATOM 0 HG12 ILE A 26 -2.404 3.141 7.537 1.00 12.42 H new ATOM 0 HG13 ILE A 26 -4.047 2.938 8.112 1.00 12.42 H new ATOM 0 HG21 ILE A 26 -2.424 6.155 7.085 1.00 0.23 H new ATOM 0 HG22 ILE A 26 -2.048 6.676 8.744 1.00 0.23 H new ATOM 0 HG23 ILE A 26 -1.158 5.319 8.015 1.00 0.23 H new ATOM 0 HD11 ILE A 26 -3.992 3.148 5.675 1.00 71.13 H new ATOM 0 HD12 ILE A 26 -4.857 4.525 6.399 1.00 71.13 H new ATOM 0 HD13 ILE A 26 -3.188 4.730 5.815 1.00 71.13 H new ATOM 394 N GLY A 27 -4.940 4.149 11.075 1.00 21.12 N ATOM 395 CA GLY A 27 -6.093 3.449 11.608 1.00 1.14 C ATOM 396 C GLY A 27 -7.210 3.325 10.590 1.00 51.23 C ATOM 397 O GLY A 27 -7.113 3.863 9.486 1.00 74.12 O ATOM 0 H GLY A 27 -5.015 5.166 11.095 1.00 21.12 H new ATOM 0 HA2 GLY A 27 -5.792 2.454 11.937 1.00 1.14 H new ATOM 0 HA3 GLY A 27 -6.462 3.977 12.487 1.00 1.14 H new ATOM 401 N ASP A 28 -8.273 2.627 10.980 1.00 21.15 N ATOM 402 CA ASP A 28 -9.417 2.355 10.107 1.00 23.32 C ATOM 403 C ASP A 28 -10.005 3.648 9.541 1.00 33.53 C ATOM 404 O ASP A 28 -10.383 3.716 8.371 1.00 10.14 O ATOM 405 CB ASP A 28 -10.483 1.589 10.905 1.00 43.20 C ATOM 406 CG ASP A 28 -11.718 1.220 10.094 1.00 45.41 C ATOM 407 OD1 ASP A 28 -11.740 0.118 9.497 1.00 61.50 O ATOM 408 OD2 ASP A 28 -12.681 2.018 10.075 1.00 1.51 O ATOM 0 H ASP A 28 -8.368 2.231 11.915 1.00 21.15 H new ATOM 0 HA ASP A 28 -9.081 1.752 9.264 1.00 23.32 H new ATOM 0 HB2 ASP A 28 -10.038 0.678 11.305 1.00 43.20 H new ATOM 0 HB3 ASP A 28 -10.789 2.195 11.758 1.00 43.20 H new ATOM 413 N SER A 29 -10.042 4.685 10.368 1.00 30.42 N ATOM 414 CA SER A 29 -10.687 5.939 10.000 1.00 55.45 C ATOM 415 C SER A 29 -9.754 6.855 9.196 1.00 73.43 C ATOM 416 O SER A 29 -10.194 7.878 8.669 1.00 3.00 O ATOM 417 CB SER A 29 -11.180 6.653 11.266 1.00 75.14 C ATOM 418 OG SER A 29 -12.044 5.808 12.016 1.00 30.34 O ATOM 0 H SER A 29 -9.631 4.682 11.302 1.00 30.42 H new ATOM 0 HA SER A 29 -11.535 5.705 9.356 1.00 55.45 H new ATOM 0 HB2 SER A 29 -10.328 6.946 11.879 1.00 75.14 H new ATOM 0 HB3 SER A 29 -11.706 7.568 10.992 1.00 75.14 H new ATOM 0 HG SER A 29 -12.346 6.280 12.820 1.00 30.34 H new ATOM 424 N GLU A 30 -8.473 6.494 9.094 1.00 74.22 N ATOM 425 CA GLU A 30 -7.504 7.325 8.377 1.00 52.23 C ATOM 426 C GLU A 30 -7.333 6.890 6.920 1.00 73.11 C ATOM 427 O GLU A 30 -6.747 7.628 6.129 1.00 54.42 O ATOM 428 CB GLU A 30 -6.129 7.320 9.071 1.00 34.02 C ATOM 429 CG GLU A 30 -6.080 8.100 10.381 1.00 54.54 C ATOM 430 CD GLU A 30 -6.611 7.318 11.572 1.00 2.15 C ATOM 431 OE1 GLU A 30 -7.825 7.386 11.849 1.00 0.54 O ATOM 432 OE2 GLU A 30 -5.806 6.632 12.240 1.00 41.11 O ATOM 0 H GLU A 30 -8.085 5.640 9.495 1.00 74.22 H new ATOM 0 HA GLU A 30 -7.909 8.337 8.391 1.00 52.23 H new ATOM 0 HB2 GLU A 30 -5.838 6.288 9.266 1.00 34.02 H new ATOM 0 HB3 GLU A 30 -5.389 7.736 8.387 1.00 34.02 H new ATOM 0 HG2 GLU A 30 -5.050 8.396 10.580 1.00 54.54 H new ATOM 0 HG3 GLU A 30 -6.659 9.017 10.271 1.00 54.54 H new ATOM 439 N PHE A 31 -7.841 5.710 6.567 1.00 54.12 N ATOM 440 CA PHE A 31 -7.652 5.161 5.216 1.00 34.30 C ATOM 441 C PHE A 31 -8.012 6.167 4.127 1.00 61.10 C ATOM 442 O PHE A 31 -7.155 6.571 3.341 1.00 74.15 O ATOM 443 CB PHE A 31 -8.483 3.887 5.025 1.00 43.24 C ATOM 444 CG PHE A 31 -7.823 2.649 5.556 1.00 11.23 C ATOM 445 CD1 PHE A 31 -7.909 2.326 6.896 1.00 25.11 C ATOM 446 CD2 PHE A 31 -7.122 1.804 4.709 1.00 52.14 C ATOM 447 CE1 PHE A 31 -7.308 1.183 7.390 1.00 64.03 C ATOM 448 CE2 PHE A 31 -6.522 0.660 5.196 1.00 54.23 C ATOM 449 CZ PHE A 31 -6.615 0.348 6.537 1.00 3.43 C ATOM 0 H PHE A 31 -8.385 5.115 7.191 1.00 54.12 H new ATOM 0 HA PHE A 31 -6.592 4.925 5.122 1.00 34.30 H new ATOM 0 HB2 PHE A 31 -9.446 4.015 5.520 1.00 43.24 H new ATOM 0 HB3 PHE A 31 -8.686 3.752 3.963 1.00 43.24 H new ATOM 0 HD1 PHE A 31 -8.453 2.975 7.567 1.00 25.11 H new ATOM 0 HD2 PHE A 31 -7.045 2.043 3.659 1.00 52.14 H new ATOM 0 HE1 PHE A 31 -7.381 0.944 8.441 1.00 64.03 H new ATOM 0 HE2 PHE A 31 -5.979 0.009 4.527 1.00 54.23 H new ATOM 0 HZ PHE A 31 -6.147 -0.547 6.918 1.00 3.43 H new ATOM 459 N ASP A 32 -9.273 6.587 4.102 1.00 3.43 N ATOM 460 CA ASP A 32 -9.758 7.465 3.035 1.00 5.42 C ATOM 461 C ASP A 32 -8.991 8.777 3.034 1.00 32.33 C ATOM 462 O ASP A 32 -8.701 9.331 1.974 1.00 10.12 O ATOM 463 CB ASP A 32 -11.259 7.738 3.172 1.00 11.43 C ATOM 464 CG ASP A 32 -11.599 8.594 4.380 1.00 3.05 C ATOM 465 OD1 ASP A 32 -11.442 8.110 5.519 1.00 41.13 O ATOM 466 OD2 ASP A 32 -12.016 9.759 4.194 1.00 70.30 O ATOM 0 H ASP A 32 -9.974 6.338 4.800 1.00 3.43 H new ATOM 0 HA ASP A 32 -9.591 6.953 2.088 1.00 5.42 H new ATOM 0 HB2 ASP A 32 -11.616 8.234 2.270 1.00 11.43 H new ATOM 0 HB3 ASP A 32 -11.790 6.789 3.245 1.00 11.43 H new ATOM 471 N ASN A 33 -8.650 9.263 4.226 1.00 14.12 N ATOM 472 CA ASN A 33 -7.857 10.483 4.354 1.00 22.13 C ATOM 473 C ASN A 33 -6.553 10.305 3.610 1.00 74.21 C ATOM 474 O ASN A 33 -6.237 11.040 2.670 1.00 63.11 O ATOM 475 CB ASN A 33 -7.531 10.782 5.824 1.00 21.34 C ATOM 476 CG ASN A 33 -7.139 12.237 6.062 1.00 40.04 C ATOM 477 OD1 ASN A 33 -6.614 12.911 5.172 1.00 21.33 O ATOM 478 ND2 ASN A 33 -7.387 12.726 7.268 1.00 22.11 N ATOM 0 H ASN A 33 -8.909 8.832 5.113 1.00 14.12 H new ATOM 0 HA ASN A 33 -8.437 11.309 3.942 1.00 22.13 H new ATOM 0 HB2 ASN A 33 -8.397 10.539 6.439 1.00 21.34 H new ATOM 0 HB3 ASN A 33 -6.717 10.134 6.149 1.00 21.34 H new ATOM 0 HD21 ASN A 33 -7.142 13.692 7.487 1.00 22.11 H new ATOM 0 HD22 ASN A 33 -7.823 12.137 7.978 1.00 22.11 H new ATOM 485 N LYS A 34 -5.832 9.271 4.012 1.00 5.31 N ATOM 486 CA LYS A 34 -4.490 9.032 3.534 1.00 22.35 C ATOM 487 C LYS A 34 -4.481 8.789 2.029 1.00 11.00 C ATOM 488 O LYS A 34 -3.591 9.257 1.322 1.00 62.31 O ATOM 489 CB LYS A 34 -3.869 7.843 4.279 1.00 3.15 C ATOM 490 CG LYS A 34 -3.674 8.075 5.782 1.00 34.24 C ATOM 491 CD LYS A 34 -2.336 8.747 6.111 1.00 24.23 C ATOM 492 CE LYS A 34 -2.286 10.219 5.714 1.00 11.01 C ATOM 493 NZ LYS A 34 -0.922 10.789 5.886 1.00 0.31 N ATOM 0 H LYS A 34 -6.166 8.576 4.680 1.00 5.31 H new ATOM 0 HA LYS A 34 -3.891 9.921 3.731 1.00 22.35 H new ATOM 0 HB2 LYS A 34 -4.504 6.968 4.137 1.00 3.15 H new ATOM 0 HB3 LYS A 34 -2.903 7.612 3.830 1.00 3.15 H new ATOM 0 HG2 LYS A 34 -4.488 8.694 6.158 1.00 34.24 H new ATOM 0 HG3 LYS A 34 -3.733 7.119 6.303 1.00 34.24 H new ATOM 0 HD2 LYS A 34 -2.147 8.660 7.181 1.00 24.23 H new ATOM 0 HD3 LYS A 34 -1.534 8.213 5.601 1.00 24.23 H new ATOM 0 HE2 LYS A 34 -2.597 10.327 4.675 1.00 11.01 H new ATOM 0 HE3 LYS A 34 -2.995 10.784 6.319 1.00 11.01 H new ATOM 0 HZ1 LYS A 34 -0.993 11.812 6.059 1.00 0.31 H new ATOM 0 HZ2 LYS A 34 -0.454 10.332 6.695 1.00 0.31 H new ATOM 0 HZ3 LYS A 34 -0.364 10.621 5.024 1.00 0.31 H new ATOM 507 N VAL A 35 -5.487 8.064 1.552 1.00 51.10 N ATOM 508 CA VAL A 35 -5.623 7.780 0.128 1.00 33.40 C ATOM 509 C VAL A 35 -5.909 9.070 -0.647 1.00 25.53 C ATOM 510 O VAL A 35 -5.243 9.367 -1.642 1.00 10.34 O ATOM 511 CB VAL A 35 -6.739 6.733 -0.143 1.00 75.21 C ATOM 512 CG1 VAL A 35 -6.925 6.507 -1.644 1.00 33.22 C ATOM 513 CG2 VAL A 35 -6.422 5.408 0.559 1.00 50.14 C ATOM 0 H VAL A 35 -6.222 7.661 2.133 1.00 51.10 H new ATOM 0 HA VAL A 35 -4.679 7.358 -0.216 1.00 33.40 H new ATOM 0 HB VAL A 35 -7.671 7.126 0.262 1.00 75.21 H new ATOM 0 HG11 VAL A 35 -7.712 5.770 -1.806 1.00 33.22 H new ATOM 0 HG12 VAL A 35 -7.204 7.446 -2.122 1.00 33.22 H new ATOM 0 HG13 VAL A 35 -5.992 6.143 -2.075 1.00 33.22 H new ATOM 0 HG21 VAL A 35 -7.216 4.690 0.356 1.00 50.14 H new ATOM 0 HG22 VAL A 35 -5.475 5.017 0.187 1.00 50.14 H new ATOM 0 HG23 VAL A 35 -6.349 5.574 1.634 1.00 50.14 H new ATOM 523 N THR A 36 -6.891 9.844 -0.183 1.00 65.42 N ATOM 524 CA THR A 36 -7.218 11.124 -0.820 1.00 2.11 C ATOM 525 C THR A 36 -6.094 12.155 -0.634 1.00 12.23 C ATOM 526 O THR A 36 -6.027 13.146 -1.360 1.00 52.23 O ATOM 527 CB THR A 36 -8.547 11.708 -0.279 1.00 11.34 C ATOM 528 OG1 THR A 36 -8.500 11.810 1.154 1.00 44.22 O ATOM 529 CG2 THR A 36 -9.734 10.842 -0.694 1.00 21.32 C ATOM 0 H THR A 36 -7.470 9.612 0.624 1.00 65.42 H new ATOM 0 HA THR A 36 -7.332 10.918 -1.884 1.00 2.11 H new ATOM 0 HB THR A 36 -8.676 12.702 -0.707 1.00 11.34 H new ATOM 0 HG1 THR A 36 -8.836 10.980 1.552 1.00 44.22 H new ATOM 0 HG21 THR A 36 -10.654 11.274 -0.301 1.00 21.32 H new ATOM 0 HG22 THR A 36 -9.789 10.797 -1.782 1.00 21.32 H new ATOM 0 HG23 THR A 36 -9.607 9.835 -0.296 1.00 21.32 H new ATOM 537 N SER A 37 -5.210 11.909 0.335 1.00 72.42 N ATOM 538 CA SER A 37 -4.108 12.825 0.639 1.00 61.40 C ATOM 539 C SER A 37 -3.094 12.905 -0.511 1.00 24.35 C ATOM 540 O SER A 37 -2.190 13.745 -0.485 1.00 23.12 O ATOM 541 CB SER A 37 -3.410 12.383 1.934 1.00 25.11 C ATOM 542 OG SER A 37 -2.408 13.302 2.340 1.00 63.13 O ATOM 0 H SER A 37 -5.236 11.078 0.926 1.00 72.42 H new ATOM 0 HA SER A 37 -4.528 13.822 0.770 1.00 61.40 H new ATOM 0 HB2 SER A 37 -4.150 12.280 2.728 1.00 25.11 H new ATOM 0 HB3 SER A 37 -2.962 11.400 1.787 1.00 25.11 H new ATOM 0 HG SER A 37 -1.999 13.711 1.549 1.00 63.13 H new ATOM 548 N CYS A 38 -3.239 12.031 -1.508 1.00 71.44 N ATOM 549 CA CYS A 38 -2.360 12.052 -2.675 1.00 1.10 C ATOM 550 C CYS A 38 -2.467 13.385 -3.411 1.00 41.23 C ATOM 551 O CYS A 38 -3.535 13.743 -3.915 1.00 24.10 O ATOM 552 CB CYS A 38 -2.703 10.914 -3.636 1.00 12.21 C ATOM 553 SG CYS A 38 -1.839 11.013 -5.223 1.00 3.33 S ATOM 0 H CYS A 38 -3.954 11.304 -1.530 1.00 71.44 H new ATOM 0 HA CYS A 38 -1.338 11.922 -2.319 1.00 1.10 H new ATOM 0 HB2 CYS A 38 -2.461 9.964 -3.160 1.00 12.21 H new ATOM 0 HB3 CYS A 38 -3.778 10.915 -3.817 1.00 12.21 H new ATOM 0 HG CYS A 38 -2.456 11.851 -6.002 1.00 3.33 H new ATOM 559 N ASN A 39 -1.360 14.118 -3.467 1.00 1.34 N ATOM 560 CA ASN A 39 -1.318 15.402 -4.158 1.00 14.12 C ATOM 561 C ASN A 39 -1.253 15.198 -5.672 1.00 5.31 C ATOM 562 O ASN A 39 -2.057 15.762 -6.420 1.00 5.04 O ATOM 563 CB ASN A 39 -0.110 16.222 -3.684 1.00 70.45 C ATOM 564 CG ASN A 39 -0.048 17.606 -4.309 1.00 43.13 C ATOM 565 OD1 ASN A 39 -1.077 18.209 -4.621 1.00 2.04 O ATOM 566 ND2 ASN A 39 1.161 18.118 -4.492 1.00 72.23 N ATOM 0 H ASN A 39 -0.476 13.843 -3.040 1.00 1.34 H new ATOM 0 HA ASN A 39 -2.231 15.949 -3.921 1.00 14.12 H new ATOM 0 HB2 ASN A 39 -0.148 16.321 -2.599 1.00 70.45 H new ATOM 0 HB3 ASN A 39 0.805 15.681 -3.922 1.00 70.45 H new ATOM 0 HD21 ASN A 39 1.265 19.045 -4.905 1.00 72.23 H new ATOM 0 HD22 ASN A 39 1.987 17.585 -4.220 1.00 72.23 H new ATOM 573 N ASP A 40 -0.311 14.364 -6.117 1.00 3.41 N ATOM 574 CA ASP A 40 -0.087 14.140 -7.550 1.00 20.31 C ATOM 575 C ASP A 40 0.698 12.852 -7.792 1.00 24.14 C ATOM 576 O ASP A 40 1.806 12.692 -7.282 1.00 54.44 O ATOM 577 CB ASP A 40 0.669 15.330 -8.162 1.00 42.21 C ATOM 578 CG ASP A 40 1.063 15.094 -9.615 1.00 62.12 C ATOM 579 OD1 ASP A 40 0.168 15.081 -10.486 1.00 10.33 O ATOM 580 OD2 ASP A 40 2.273 14.923 -9.895 1.00 61.23 O ATOM 0 H ASP A 40 0.310 13.832 -5.507 1.00 3.41 H new ATOM 0 HA ASP A 40 -1.061 14.044 -8.029 1.00 20.31 H new ATOM 0 HB2 ASP A 40 0.045 16.222 -8.100 1.00 42.21 H new ATOM 0 HB3 ASP A 40 1.566 15.526 -7.574 1.00 42.21 H new ATOM 585 N ASN A 41 0.100 11.941 -8.566 1.00 14.51 N ATOM 586 CA ASN A 41 0.725 10.658 -8.941 1.00 14.05 C ATOM 587 C ASN A 41 1.261 9.873 -7.741 1.00 14.51 C ATOM 588 O ASN A 41 2.041 8.933 -7.917 1.00 21.10 O ATOM 589 CB ASN A 41 1.867 10.871 -9.950 1.00 21.45 C ATOM 590 CG ASN A 41 1.380 11.224 -11.343 1.00 50.52 C ATOM 591 OD1 ASN A 41 0.312 10.789 -11.774 1.00 45.10 O ATOM 592 ND2 ASN A 41 2.170 12.000 -12.063 1.00 11.01 N ATOM 0 H ASN A 41 -0.835 12.068 -8.954 1.00 14.51 H new ATOM 0 HA ASN A 41 -0.071 10.069 -9.396 1.00 14.05 H new ATOM 0 HB2 ASN A 41 2.518 11.666 -9.588 1.00 21.45 H new ATOM 0 HB3 ASN A 41 2.470 9.964 -10.002 1.00 21.45 H new ATOM 0 HD21 ASN A 41 1.903 12.259 -13.013 1.00 11.01 H new ATOM 0 HD22 ASN A 41 3.047 12.340 -11.669 1.00 11.01 H new ATOM 599 N ILE A 42 0.838 10.230 -6.532 1.00 72.23 N ATOM 600 CA ILE A 42 1.310 9.541 -5.338 1.00 13.21 C ATOM 601 C ILE A 42 0.728 8.131 -5.296 1.00 50.14 C ATOM 602 O ILE A 42 -0.463 7.941 -5.026 1.00 31.54 O ATOM 603 CB ILE A 42 0.949 10.298 -4.033 1.00 62.43 C ATOM 604 CG1 ILE A 42 1.461 11.749 -4.086 1.00 62.52 C ATOM 605 CG2 ILE A 42 1.510 9.569 -2.809 1.00 20.43 C ATOM 606 CD1 ILE A 42 2.964 11.876 -4.228 1.00 63.12 C ATOM 0 H ILE A 42 0.176 10.985 -6.355 1.00 72.23 H new ATOM 0 HA ILE A 42 2.398 9.498 -5.395 1.00 13.21 H new ATOM 0 HB ILE A 42 -0.137 10.323 -3.944 1.00 62.43 H new ATOM 0 HG12 ILE A 42 0.985 12.260 -4.923 1.00 62.52 H new ATOM 0 HG13 ILE A 42 1.149 12.265 -3.178 1.00 62.52 H new ATOM 0 HG21 ILE A 42 1.245 10.118 -1.905 1.00 20.43 H new ATOM 0 HG22 ILE A 42 1.090 8.564 -2.760 1.00 20.43 H new ATOM 0 HG23 ILE A 42 2.595 9.505 -2.889 1.00 20.43 H new ATOM 0 HD11 ILE A 42 3.239 12.930 -4.257 1.00 63.12 H new ATOM 0 HD12 ILE A 42 3.451 11.397 -3.379 1.00 63.12 H new ATOM 0 HD13 ILE A 42 3.285 11.392 -5.150 1.00 63.12 H new ATOM 618 N LEU A 43 1.569 7.156 -5.613 1.00 2.31 N ATOM 619 CA LEU A 43 1.170 5.761 -5.601 1.00 72.23 C ATOM 620 C LEU A 43 1.103 5.275 -4.156 1.00 73.03 C ATOM 621 O LEU A 43 2.127 5.117 -3.477 1.00 74.11 O ATOM 622 CB LEU A 43 2.148 4.911 -6.434 1.00 52.34 C ATOM 623 CG LEU A 43 1.507 3.749 -7.223 1.00 21.14 C ATOM 624 CD1 LEU A 43 2.568 2.974 -7.994 1.00 4.33 C ATOM 625 CD2 LEU A 43 0.719 2.816 -6.307 1.00 45.45 C ATOM 0 H LEU A 43 2.540 7.311 -5.884 1.00 2.31 H new ATOM 0 HA LEU A 43 0.184 5.657 -6.054 1.00 72.23 H new ATOM 0 HB2 LEU A 43 2.663 5.565 -7.137 1.00 52.34 H new ATOM 0 HB3 LEU A 43 2.906 4.501 -5.767 1.00 52.34 H new ATOM 0 HG LEU A 43 0.805 4.182 -7.936 1.00 21.14 H new ATOM 0 HD11 LEU A 43 2.096 2.159 -8.543 1.00 4.33 H new ATOM 0 HD12 LEU A 43 3.069 3.642 -8.695 1.00 4.33 H new ATOM 0 HD13 LEU A 43 3.299 2.565 -7.296 1.00 4.33 H new ATOM 0 HD21 LEU A 43 0.282 2.010 -6.897 1.00 45.45 H new ATOM 0 HD22 LEU A 43 1.387 2.395 -5.556 1.00 45.45 H new ATOM 0 HD23 LEU A 43 -0.075 3.376 -5.813 1.00 45.45 H new ATOM 637 N ILE A 44 -0.118 5.074 -3.691 1.00 51.03 N ATOM 638 CA ILE A 44 -0.383 4.682 -2.320 1.00 40.40 C ATOM 639 C ILE A 44 -0.651 3.184 -2.227 1.00 2.24 C ATOM 640 O ILE A 44 -1.636 2.682 -2.767 1.00 41.33 O ATOM 641 CB ILE A 44 -1.588 5.480 -1.759 1.00 22.02 C ATOM 642 CG1 ILE A 44 -1.206 6.966 -1.637 1.00 41.12 C ATOM 643 CG2 ILE A 44 -2.058 4.912 -0.420 1.00 72.24 C ATOM 644 CD1 ILE A 44 -2.333 7.859 -1.173 1.00 4.23 C ATOM 0 H ILE A 44 -0.958 5.179 -4.259 1.00 51.03 H new ATOM 0 HA ILE A 44 0.499 4.908 -1.722 1.00 40.40 H new ATOM 0 HB ILE A 44 -2.425 5.388 -2.451 1.00 22.02 H new ATOM 0 HG12 ILE A 44 -0.373 7.059 -0.940 1.00 41.12 H new ATOM 0 HG13 ILE A 44 -0.853 7.319 -2.606 1.00 41.12 H new ATOM 0 HG21 ILE A 44 -2.904 5.494 -0.055 1.00 72.24 H new ATOM 0 HG22 ILE A 44 -2.362 3.874 -0.552 1.00 72.24 H new ATOM 0 HG23 ILE A 44 -1.244 4.962 0.303 1.00 72.24 H new ATOM 0 HD11 ILE A 44 -1.980 8.889 -1.114 1.00 4.23 H new ATOM 0 HD12 ILE A 44 -3.160 7.799 -1.881 1.00 4.23 H new ATOM 0 HD13 ILE A 44 -2.673 7.535 -0.189 1.00 4.23 H new ATOM 656 N LEU A 45 0.255 2.477 -1.565 1.00 52.34 N ATOM 657 CA LEU A 45 0.104 1.049 -1.323 1.00 50.33 C ATOM 658 C LEU A 45 -0.276 0.823 0.135 1.00 31.23 C ATOM 659 O LEU A 45 0.199 1.530 1.021 1.00 63.23 O ATOM 660 CB LEU A 45 1.405 0.285 -1.641 1.00 74.33 C ATOM 661 CG LEU A 45 1.940 0.421 -3.081 1.00 12.10 C ATOM 662 CD1 LEU A 45 2.588 1.787 -3.306 1.00 63.44 C ATOM 663 CD2 LEU A 45 2.930 -0.699 -3.395 1.00 50.53 C ATOM 0 H LEU A 45 1.112 2.876 -1.182 1.00 52.34 H new ATOM 0 HA LEU A 45 -0.680 0.671 -1.979 1.00 50.33 H new ATOM 0 HB2 LEU A 45 2.179 0.627 -0.954 1.00 74.33 H new ATOM 0 HB3 LEU A 45 1.240 -0.773 -1.435 1.00 74.33 H new ATOM 0 HG LEU A 45 1.092 0.337 -3.760 1.00 12.10 H new ATOM 0 HD11 LEU A 45 2.955 1.851 -4.330 1.00 63.44 H new ATOM 0 HD12 LEU A 45 1.851 2.572 -3.135 1.00 63.44 H new ATOM 0 HD13 LEU A 45 3.420 1.913 -2.614 1.00 63.44 H new ATOM 0 HD21 LEU A 45 3.296 -0.586 -4.415 1.00 50.53 H new ATOM 0 HD22 LEU A 45 3.769 -0.648 -2.701 1.00 50.53 H new ATOM 0 HD23 LEU A 45 2.433 -1.663 -3.293 1.00 50.53 H new ATOM 675 N VAL A 46 -1.136 -0.148 0.377 1.00 73.41 N ATOM 676 CA VAL A 46 -1.545 -0.500 1.728 1.00 23.12 C ATOM 677 C VAL A 46 -1.404 -2.000 1.923 1.00 75.14 C ATOM 678 O VAL A 46 -2.154 -2.780 1.330 1.00 54.11 O ATOM 679 CB VAL A 46 -3.009 -0.073 2.022 1.00 54.01 C ATOM 680 CG1 VAL A 46 -3.401 -0.444 3.451 1.00 2.03 C ATOM 681 CG2 VAL A 46 -3.203 1.425 1.772 1.00 63.41 C ATOM 0 H VAL A 46 -1.570 -0.714 -0.352 1.00 73.41 H new ATOM 0 HA VAL A 46 -0.898 0.035 2.423 1.00 23.12 H new ATOM 0 HB VAL A 46 -3.665 -0.613 1.339 1.00 54.01 H new ATOM 0 HG11 VAL A 46 -4.430 -0.137 3.637 1.00 2.03 H new ATOM 0 HG12 VAL A 46 -3.315 -1.522 3.584 1.00 2.03 H new ATOM 0 HG13 VAL A 46 -2.738 0.062 4.153 1.00 2.03 H new ATOM 0 HG21 VAL A 46 -4.236 1.699 1.985 1.00 63.41 H new ATOM 0 HG22 VAL A 46 -2.536 1.992 2.422 1.00 63.41 H new ATOM 0 HG23 VAL A 46 -2.975 1.653 0.731 1.00 63.41 H new ATOM 691 N ASP A 47 -0.430 -2.405 2.725 1.00 2.40 N ATOM 692 CA ASP A 47 -0.185 -3.817 2.969 1.00 61.21 C ATOM 693 C ASP A 47 -0.987 -4.287 4.177 1.00 1.44 C ATOM 694 O ASP A 47 -1.194 -3.539 5.132 1.00 3.25 O ATOM 695 CB ASP A 47 1.313 -4.096 3.176 1.00 75.45 C ATOM 696 CG ASP A 47 1.868 -3.514 4.469 1.00 2.44 C ATOM 697 OD1 ASP A 47 2.300 -2.341 4.473 1.00 43.53 O ATOM 698 OD2 ASP A 47 1.907 -4.238 5.488 1.00 45.10 O ATOM 0 H ASP A 47 0.203 -1.775 3.217 1.00 2.40 H new ATOM 0 HA ASP A 47 -0.509 -4.374 2.090 1.00 61.21 H new ATOM 0 HB2 ASP A 47 1.477 -5.174 3.172 1.00 75.45 H new ATOM 0 HB3 ASP A 47 1.870 -3.686 2.334 1.00 75.45 H new ATOM 703 N PHE A 48 -1.471 -5.515 4.109 1.00 31.15 N ATOM 704 CA PHE A 48 -2.212 -6.119 5.206 1.00 70.14 C ATOM 705 C PHE A 48 -1.703 -7.537 5.425 1.00 33.44 C ATOM 706 O PHE A 48 -1.973 -8.429 4.617 1.00 43.15 O ATOM 707 CB PHE A 48 -3.720 -6.127 4.889 1.00 20.24 C ATOM 708 CG PHE A 48 -4.597 -6.562 6.039 1.00 3.24 C ATOM 709 CD1 PHE A 48 -4.765 -7.909 6.343 1.00 62.34 C ATOM 710 CD2 PHE A 48 -5.260 -5.622 6.817 1.00 14.02 C ATOM 711 CE1 PHE A 48 -5.571 -8.302 7.395 1.00 21.01 C ATOM 712 CE2 PHE A 48 -6.066 -6.012 7.868 1.00 50.34 C ATOM 713 CZ PHE A 48 -6.221 -7.353 8.158 1.00 34.44 C ATOM 0 H PHE A 48 -1.363 -6.121 3.296 1.00 31.15 H new ATOM 0 HA PHE A 48 -2.061 -5.538 6.116 1.00 70.14 H new ATOM 0 HB2 PHE A 48 -4.019 -5.126 4.579 1.00 20.24 H new ATOM 0 HB3 PHE A 48 -3.897 -6.790 4.042 1.00 20.24 H new ATOM 0 HD1 PHE A 48 -4.260 -8.657 5.750 1.00 62.34 H new ATOM 0 HD2 PHE A 48 -5.144 -4.571 6.597 1.00 14.02 H new ATOM 0 HE1 PHE A 48 -5.692 -9.351 7.620 1.00 21.01 H new ATOM 0 HE2 PHE A 48 -6.575 -5.268 8.463 1.00 50.34 H new ATOM 0 HZ PHE A 48 -6.850 -7.659 8.981 1.00 34.44 H new ATOM 836 N ARG A 57 7.426 -11.552 6.404 1.00 51.23 N ATOM 837 CA ARG A 57 8.609 -11.042 7.102 1.00 11.31 C ATOM 838 C ARG A 57 9.514 -10.255 6.150 1.00 32.30 C ATOM 839 O ARG A 57 9.913 -9.134 6.448 1.00 65.33 O ATOM 840 CB ARG A 57 9.409 -12.195 7.726 1.00 51.13 C ATOM 841 CG ARG A 57 10.632 -11.732 8.516 1.00 31.24 C ATOM 842 CD ARG A 57 11.537 -12.894 8.908 1.00 41.40 C ATOM 843 NE ARG A 57 12.683 -12.448 9.705 1.00 54.20 N ATOM 844 CZ ARG A 57 13.938 -12.378 9.254 1.00 51.50 C ATOM 845 NH1 ARG A 57 14.225 -12.722 8.004 1.00 3.02 N ATOM 846 NH2 ARG A 57 14.911 -11.964 10.060 1.00 70.03 N ATOM 0 HA ARG A 57 8.262 -10.375 7.891 1.00 11.31 H new ATOM 0 HB2 ARG A 57 8.755 -12.765 8.386 1.00 51.13 H new ATOM 0 HB3 ARG A 57 9.732 -12.872 6.935 1.00 51.13 H new ATOM 0 HG2 ARG A 57 11.199 -11.017 7.919 1.00 31.24 H new ATOM 0 HG3 ARG A 57 10.305 -11.209 9.415 1.00 31.24 H new ATOM 0 HD2 ARG A 57 10.963 -13.626 9.476 1.00 41.40 H new ATOM 0 HD3 ARG A 57 11.893 -13.396 8.009 1.00 41.40 H new ATOM 0 HE ARG A 57 12.510 -12.172 10.672 1.00 54.20 H new ATOM 0 HH11 ARG A 57 13.484 -13.043 7.380 1.00 3.02 H new ATOM 0 HH12 ARG A 57 15.186 -12.666 7.667 1.00 3.02 H new ATOM 0 HH21 ARG A 57 14.699 -11.700 11.022 1.00 70.03 H new ATOM 0 HH22 ARG A 57 15.870 -11.910 9.716 1.00 70.03 H new ATOM 860 N SER A 58 9.828 -10.857 5.006 1.00 45.41 N ATOM 861 CA SER A 58 10.734 -10.253 4.027 1.00 24.23 C ATOM 862 C SER A 58 10.130 -8.973 3.440 1.00 54.01 C ATOM 863 O SER A 58 10.834 -7.993 3.148 1.00 24.11 O ATOM 864 CB SER A 58 11.021 -11.263 2.907 1.00 72.34 C ATOM 865 OG SER A 58 11.442 -12.511 3.442 1.00 60.50 O ATOM 0 H SER A 58 9.466 -11.770 4.731 1.00 45.41 H new ATOM 0 HA SER A 58 11.665 -9.988 4.528 1.00 24.23 H new ATOM 0 HB2 SER A 58 10.125 -11.406 2.303 1.00 72.34 H new ATOM 0 HB3 SER A 58 11.792 -10.868 2.245 1.00 72.34 H new ATOM 0 HG SER A 58 11.617 -13.138 2.710 1.00 60.50 H new ATOM 871 N LEU A 59 8.815 -8.982 3.294 1.00 11.45 N ATOM 872 CA LEU A 59 8.104 -7.878 2.668 1.00 31.21 C ATOM 873 C LEU A 59 8.204 -6.601 3.499 1.00 62.45 C ATOM 874 O LEU A 59 8.085 -5.506 2.954 1.00 52.42 O ATOM 875 CB LEU A 59 6.637 -8.257 2.410 1.00 51.20 C ATOM 876 CG LEU A 59 6.378 -9.064 1.124 1.00 63.31 C ATOM 877 CD1 LEU A 59 6.611 -8.198 -0.110 1.00 50.23 C ATOM 878 CD2 LEU A 59 7.258 -10.315 1.076 1.00 64.24 C ATOM 0 H LEU A 59 8.215 -9.747 3.603 1.00 11.45 H new ATOM 0 HA LEU A 59 8.580 -7.677 1.708 1.00 31.21 H new ATOM 0 HB2 LEU A 59 6.274 -8.835 3.260 1.00 51.20 H new ATOM 0 HB3 LEU A 59 6.045 -7.343 2.370 1.00 51.20 H new ATOM 0 HG LEU A 59 5.336 -9.383 1.130 1.00 63.31 H new ATOM 0 HD11 LEU A 59 6.423 -8.786 -1.008 1.00 50.23 H new ATOM 0 HD12 LEU A 59 5.935 -7.343 -0.088 1.00 50.23 H new ATOM 0 HD13 LEU A 59 7.642 -7.845 -0.117 1.00 50.23 H new ATOM 0 HD21 LEU A 59 7.056 -10.867 0.158 1.00 64.24 H new ATOM 0 HD22 LEU A 59 8.308 -10.023 1.100 1.00 64.24 H new ATOM 0 HD23 LEU A 59 7.038 -10.948 1.936 1.00 64.24 H new ATOM 890 N GLU A 60 8.438 -6.733 4.807 1.00 21.21 N ATOM 891 CA GLU A 60 8.612 -5.557 5.652 1.00 13.21 C ATOM 892 C GLU A 60 9.853 -4.765 5.197 1.00 14.22 C ATOM 893 O GLU A 60 9.710 -3.642 4.714 1.00 54.35 O ATOM 894 CB GLU A 60 8.680 -5.925 7.151 1.00 21.22 C ATOM 895 CG GLU A 60 8.904 -4.720 8.061 1.00 12.42 C ATOM 896 CD GLU A 60 8.920 -5.071 9.542 1.00 52.45 C ATOM 897 OE1 GLU A 60 10.000 -5.424 10.070 1.00 3.35 O ATOM 898 OE2 GLU A 60 7.855 -4.975 10.186 1.00 63.35 O ATOM 0 H GLU A 60 8.510 -7.626 5.294 1.00 21.21 H new ATOM 0 HA GLU A 60 7.735 -4.920 5.537 1.00 13.21 H new ATOM 0 HB2 GLU A 60 7.753 -6.421 7.438 1.00 21.22 H new ATOM 0 HB3 GLU A 60 9.486 -6.642 7.305 1.00 21.22 H new ATOM 0 HG2 GLU A 60 9.850 -4.247 7.798 1.00 12.42 H new ATOM 0 HG3 GLU A 60 8.119 -3.986 7.878 1.00 12.42 H new ATOM 905 N PRO A 61 11.084 -5.338 5.283 1.00 2.44 N ATOM 906 CA PRO A 61 12.295 -4.634 4.846 1.00 2.01 C ATOM 907 C PRO A 61 12.288 -4.330 3.345 1.00 44.41 C ATOM 908 O PRO A 61 12.861 -3.324 2.914 1.00 11.51 O ATOM 909 CB PRO A 61 13.439 -5.596 5.205 1.00 35.54 C ATOM 910 CG PRO A 61 12.797 -6.933 5.309 1.00 53.13 C ATOM 911 CD PRO A 61 11.405 -6.677 5.817 1.00 43.11 C ATOM 0 HA PRO A 61 12.387 -3.660 5.328 1.00 2.01 H new ATOM 0 HB2 PRO A 61 14.215 -5.589 4.440 1.00 35.54 H new ATOM 0 HB3 PRO A 61 13.914 -5.312 6.144 1.00 35.54 H new ATOM 0 HG2 PRO A 61 12.775 -7.433 4.341 1.00 53.13 H new ATOM 0 HG3 PRO A 61 13.349 -7.581 5.990 1.00 53.13 H new ATOM 0 HD2 PRO A 61 10.703 -7.430 5.460 1.00 43.11 H new ATOM 0 HD3 PRO A 61 11.366 -6.695 6.906 1.00 43.11 H new ATOM 919 N GLN A 62 11.657 -5.196 2.542 1.00 41.52 N ATOM 920 CA GLN A 62 11.593 -4.956 1.097 1.00 52.52 C ATOM 921 C GLN A 62 10.750 -3.720 0.765 1.00 14.55 C ATOM 922 O GLN A 62 11.216 -2.816 0.067 1.00 51.32 O ATOM 923 CB GLN A 62 11.062 -6.180 0.344 1.00 13.11 C ATOM 924 CG GLN A 62 11.969 -7.402 0.451 1.00 42.10 C ATOM 925 CD GLN A 62 11.814 -8.357 -0.716 1.00 21.12 C ATOM 926 OE1 GLN A 62 12.512 -8.234 -1.725 1.00 60.22 O ATOM 927 NE2 GLN A 62 10.902 -9.308 -0.593 1.00 12.31 N ATOM 0 H GLN A 62 11.195 -6.048 2.859 1.00 41.52 H new ATOM 0 HA GLN A 62 12.614 -4.769 0.765 1.00 52.52 H new ATOM 0 HB2 GLN A 62 10.075 -6.435 0.731 1.00 13.11 H new ATOM 0 HB3 GLN A 62 10.935 -5.923 -0.708 1.00 13.11 H new ATOM 0 HG2 GLN A 62 13.007 -7.074 0.510 1.00 42.10 H new ATOM 0 HG3 GLN A 62 11.749 -7.931 1.378 1.00 42.10 H new ATOM 0 HE21 GLN A 62 10.346 -9.374 0.259 1.00 12.31 H new ATOM 0 HE22 GLN A 62 10.755 -9.975 -1.351 1.00 12.31 H new ATOM 936 N LEU A 63 9.521 -3.672 1.275 1.00 31.14 N ATOM 937 CA LEU A 63 8.644 -2.525 1.034 1.00 74.22 C ATOM 938 C LEU A 63 9.239 -1.268 1.658 1.00 54.54 C ATOM 939 O LEU A 63 9.108 -0.176 1.112 1.00 60.42 O ATOM 940 CB LEU A 63 7.232 -2.779 1.582 1.00 24.43 C ATOM 941 CG LEU A 63 6.438 -3.893 0.874 1.00 64.53 C ATOM 942 CD1 LEU A 63 5.039 -4.027 1.471 1.00 34.23 C ATOM 943 CD2 LEU A 63 6.357 -3.629 -0.628 1.00 24.43 C ATOM 0 H LEU A 63 9.111 -4.406 1.853 1.00 31.14 H new ATOM 0 HA LEU A 63 8.563 -2.381 -0.043 1.00 74.22 H new ATOM 0 HB2 LEU A 63 7.311 -3.029 2.640 1.00 24.43 H new ATOM 0 HB3 LEU A 63 6.663 -1.852 1.515 1.00 24.43 H new ATOM 0 HG LEU A 63 6.966 -4.834 1.029 1.00 64.53 H new ATOM 0 HD11 LEU A 63 4.498 -4.820 0.955 1.00 34.23 H new ATOM 0 HD12 LEU A 63 5.117 -4.271 2.530 1.00 34.23 H new ATOM 0 HD13 LEU A 63 4.502 -3.086 1.355 1.00 34.23 H new ATOM 0 HD21 LEU A 63 5.792 -4.428 -1.108 1.00 24.43 H new ATOM 0 HD22 LEU A 63 5.858 -2.676 -0.804 1.00 24.43 H new ATOM 0 HD23 LEU A 63 7.363 -3.594 -1.046 1.00 24.43 H new ATOM 955 N GLU A 64 9.893 -1.442 2.802 1.00 45.14 N ATOM 956 CA GLU A 64 10.613 -0.357 3.459 1.00 21.20 C ATOM 957 C GLU A 64 11.708 0.196 2.550 1.00 32.52 C ATOM 958 O GLU A 64 11.876 1.413 2.434 1.00 61.14 O ATOM 959 CB GLU A 64 11.199 -0.857 4.787 1.00 11.31 C ATOM 960 CG GLU A 64 10.187 -0.841 5.925 1.00 64.51 C ATOM 961 CD GLU A 64 10.138 0.505 6.616 1.00 25.32 C ATOM 962 OE1 GLU A 64 9.358 1.368 6.175 1.00 3.12 O ATOM 963 OE2 GLU A 64 10.891 0.711 7.590 1.00 65.52 O ATOM 0 H GLU A 64 9.939 -2.333 3.297 1.00 45.14 H new ATOM 0 HA GLU A 64 9.917 0.456 3.667 1.00 21.20 H new ATOM 0 HB2 GLU A 64 11.573 -1.872 4.654 1.00 11.31 H new ATOM 0 HB3 GLU A 64 12.053 -0.236 5.058 1.00 11.31 H new ATOM 0 HG2 GLU A 64 9.199 -1.086 5.536 1.00 64.51 H new ATOM 0 HG3 GLU A 64 10.444 -1.613 6.651 1.00 64.51 H new ATOM 970 N LYS A 65 12.435 -0.702 1.888 1.00 30.14 N ATOM 971 CA LYS A 65 13.464 -0.298 0.938 1.00 33.31 C ATOM 972 C LYS A 65 12.844 0.541 -0.172 1.00 23.21 C ATOM 973 O LYS A 65 13.268 1.675 -0.436 1.00 75.13 O ATOM 974 CB LYS A 65 14.148 -1.519 0.307 1.00 62.24 C ATOM 975 CG LYS A 65 15.140 -1.147 -0.793 1.00 43.13 C ATOM 976 CD LYS A 65 16.443 -0.591 -0.224 1.00 1.32 C ATOM 977 CE LYS A 65 17.285 -1.684 0.427 1.00 31.55 C ATOM 978 NZ LYS A 65 17.803 -2.659 -0.575 1.00 31.20 N ATOM 0 H LYS A 65 12.329 -1.711 1.993 1.00 30.14 H new ATOM 0 HA LYS A 65 14.208 0.284 1.482 1.00 33.31 H new ATOM 0 HB2 LYS A 65 14.669 -2.078 1.084 1.00 62.24 H new ATOM 0 HB3 LYS A 65 13.387 -2.181 -0.107 1.00 62.24 H new ATOM 0 HG2 LYS A 65 15.355 -2.027 -1.399 1.00 43.13 H new ATOM 0 HG3 LYS A 65 14.688 -0.407 -1.454 1.00 43.13 H new ATOM 0 HD2 LYS A 65 17.015 -0.117 -1.021 1.00 1.32 H new ATOM 0 HD3 LYS A 65 16.219 0.182 0.511 1.00 1.32 H new ATOM 0 HE2 LYS A 65 18.122 -1.230 0.958 1.00 31.55 H new ATOM 0 HE3 LYS A 65 16.685 -2.211 1.169 1.00 31.55 H new ATOM 0 HZ1 LYS A 65 18.563 -3.226 -0.147 1.00 31.20 H new ATOM 0 HZ2 LYS A 65 17.032 -3.287 -0.879 1.00 31.20 H new ATOM 0 HZ3 LYS A 65 18.177 -2.145 -1.398 1.00 31.20 H new ATOM 992 N LEU A 66 11.831 -0.035 -0.814 1.00 3.23 N ATOM 993 CA LEU A 66 11.152 0.626 -1.917 1.00 51.24 C ATOM 994 C LEU A 66 10.555 1.948 -1.448 1.00 31.14 C ATOM 995 O LEU A 66 10.514 2.925 -2.195 1.00 1.42 O ATOM 996 CB LEU A 66 10.058 -0.277 -2.512 1.00 0.13 C ATOM 997 CG LEU A 66 10.540 -1.617 -3.089 1.00 30.12 C ATOM 998 CD1 LEU A 66 9.416 -2.301 -3.861 1.00 63.13 C ATOM 999 CD2 LEU A 66 11.774 -1.427 -3.971 1.00 23.41 C ATOM 0 H LEU A 66 11.464 -0.959 -0.587 1.00 3.23 H new ATOM 0 HA LEU A 66 11.884 0.827 -2.699 1.00 51.24 H new ATOM 0 HB2 LEU A 66 9.320 -0.481 -1.736 1.00 0.13 H new ATOM 0 HB3 LEU A 66 9.547 0.275 -3.301 1.00 0.13 H new ATOM 0 HG LEU A 66 10.826 -2.261 -2.257 1.00 30.12 H new ATOM 0 HD11 LEU A 66 9.775 -3.249 -4.263 1.00 63.13 H new ATOM 0 HD12 LEU A 66 8.575 -2.485 -3.192 1.00 63.13 H new ATOM 0 HD13 LEU A 66 9.094 -1.658 -4.680 1.00 63.13 H new ATOM 0 HD21 LEU A 66 12.092 -2.392 -4.365 1.00 23.41 H new ATOM 0 HD22 LEU A 66 11.531 -0.760 -4.798 1.00 23.41 H new ATOM 0 HD23 LEU A 66 12.580 -0.993 -3.380 1.00 23.41 H new ATOM 1011 N ALA A 67 10.118 1.973 -0.193 1.00 64.02 N ATOM 1012 CA ALA A 67 9.557 3.175 0.405 1.00 43.43 C ATOM 1013 C ALA A 67 10.614 4.265 0.477 1.00 1.55 C ATOM 1014 O ALA A 67 10.358 5.409 0.131 1.00 32.04 O ATOM 1015 CB ALA A 67 9.003 2.876 1.793 1.00 1.33 C ATOM 0 H ALA A 67 10.143 1.167 0.432 1.00 64.02 H new ATOM 0 HA ALA A 67 8.736 3.524 -0.221 1.00 43.43 H new ATOM 0 HB1 ALA A 67 8.588 3.787 2.223 1.00 1.33 H new ATOM 0 HB2 ALA A 67 8.220 2.121 1.717 1.00 1.33 H new ATOM 0 HB3 ALA A 67 9.804 2.505 2.432 1.00 1.33 H new ATOM 1021 N GLN A 68 11.812 3.889 0.909 1.00 51.22 N ATOM 1022 CA GLN A 68 12.923 4.832 1.034 1.00 3.43 C ATOM 1023 C GLN A 68 13.324 5.394 -0.328 1.00 50.14 C ATOM 1024 O GLN A 68 13.494 6.606 -0.486 1.00 72.15 O ATOM 1025 CB GLN A 68 14.138 4.160 1.691 1.00 23.33 C ATOM 1026 CG GLN A 68 13.911 3.739 3.138 1.00 11.13 C ATOM 1027 CD GLN A 68 15.169 3.186 3.788 1.00 61.23 C ATOM 1028 OE1 GLN A 68 15.432 1.985 3.745 1.00 15.24 O ATOM 1029 NE2 GLN A 68 15.959 4.066 4.386 1.00 41.54 N ATOM 0 H GLN A 68 12.042 2.933 1.181 1.00 51.22 H new ATOM 0 HA GLN A 68 12.585 5.653 1.666 1.00 3.43 H new ATOM 0 HB2 GLN A 68 14.413 3.281 1.107 1.00 23.33 H new ATOM 0 HB3 GLN A 68 14.984 4.846 1.652 1.00 23.33 H new ATOM 0 HG2 GLN A 68 13.557 4.596 3.711 1.00 11.13 H new ATOM 0 HG3 GLN A 68 13.125 2.984 3.174 1.00 11.13 H new ATOM 0 HE21 GLN A 68 15.704 5.054 4.399 1.00 41.54 H new ATOM 0 HE22 GLN A 68 16.822 3.756 4.833 1.00 41.54 H new ATOM 1038 N GLN A 69 13.468 4.509 -1.309 1.00 61.23 N ATOM 1039 CA GLN A 69 13.933 4.897 -2.641 1.00 32.15 C ATOM 1040 C GLN A 69 12.885 5.738 -3.383 1.00 22.42 C ATOM 1041 O GLN A 69 13.214 6.730 -4.036 1.00 35.45 O ATOM 1042 CB GLN A 69 14.277 3.642 -3.461 1.00 34.45 C ATOM 1043 CG GLN A 69 14.814 3.939 -4.860 1.00 0.30 C ATOM 1044 CD GLN A 69 15.222 2.684 -5.613 1.00 11.01 C ATOM 1045 OE1 GLN A 69 14.671 1.605 -5.393 1.00 33.22 O ATOM 1046 NE2 GLN A 69 16.190 2.815 -6.508 1.00 4.12 N ATOM 0 H GLN A 69 13.269 3.514 -1.208 1.00 61.23 H new ATOM 0 HA GLN A 69 14.826 5.510 -2.519 1.00 32.15 H new ATOM 0 HB2 GLN A 69 15.018 3.057 -2.916 1.00 34.45 H new ATOM 0 HB3 GLN A 69 13.384 3.023 -3.550 1.00 34.45 H new ATOM 0 HG2 GLN A 69 14.052 4.469 -5.432 1.00 0.30 H new ATOM 0 HG3 GLN A 69 15.673 4.605 -4.781 1.00 0.30 H new ATOM 0 HE21 GLN A 69 16.622 3.726 -6.662 1.00 4.12 H new ATOM 0 HE22 GLN A 69 16.503 2.005 -7.043 1.00 4.12 H new ATOM 1055 N TYR A 70 11.628 5.337 -3.259 1.00 3.13 N ATOM 1056 CA TYR A 70 10.531 5.905 -4.046 1.00 63.54 C ATOM 1057 C TYR A 70 9.679 6.898 -3.242 1.00 53.32 C ATOM 1058 O TYR A 70 8.663 7.391 -3.738 1.00 1.43 O ATOM 1059 CB TYR A 70 9.661 4.781 -4.616 1.00 31.03 C ATOM 1060 CG TYR A 70 10.386 3.871 -5.595 1.00 33.34 C ATOM 1061 CD1 TYR A 70 10.794 4.341 -6.839 1.00 24.03 C ATOM 1062 CD2 TYR A 70 10.657 2.544 -5.277 1.00 42.53 C ATOM 1063 CE1 TYR A 70 11.448 3.516 -7.736 1.00 44.33 C ATOM 1064 CE2 TYR A 70 11.311 1.714 -6.169 1.00 72.42 C ATOM 1065 CZ TYR A 70 11.704 2.205 -7.397 1.00 63.44 C ATOM 1066 OH TYR A 70 12.353 1.381 -8.288 1.00 55.54 O ATOM 0 H TYR A 70 11.334 4.607 -2.610 1.00 3.13 H new ATOM 0 HA TYR A 70 10.976 6.470 -4.865 1.00 63.54 H new ATOM 0 HB2 TYR A 70 9.278 4.179 -3.792 1.00 31.03 H new ATOM 0 HB3 TYR A 70 8.799 5.222 -5.116 1.00 31.03 H new ATOM 0 HD1 TYR A 70 10.597 5.368 -7.109 1.00 24.03 H new ATOM 0 HD2 TYR A 70 10.351 2.155 -4.317 1.00 42.53 H new ATOM 0 HE1 TYR A 70 11.757 3.898 -8.698 1.00 44.33 H new ATOM 0 HE2 TYR A 70 11.513 0.686 -5.906 1.00 72.42 H new ATOM 0 HH TYR A 70 12.456 0.490 -7.894 1.00 55.54 H new ATOM 1076 N THR A 71 10.102 7.199 -2.012 1.00 62.43 N ATOM 1077 CA THR A 71 9.285 7.952 -1.042 1.00 32.14 C ATOM 1078 C THR A 71 8.743 9.273 -1.605 1.00 44.23 C ATOM 1079 O THR A 71 7.785 9.826 -1.060 1.00 23.15 O ATOM 1080 CB THR A 71 10.100 8.276 0.242 1.00 2.34 C ATOM 1081 OG1 THR A 71 9.275 8.954 1.204 1.00 34.34 O ATOM 1082 CG2 THR A 71 11.320 9.136 -0.075 1.00 10.14 C ATOM 0 H THR A 71 11.019 6.930 -1.655 1.00 62.43 H new ATOM 0 HA THR A 71 8.441 7.302 -0.811 1.00 32.14 H new ATOM 0 HB THR A 71 10.442 7.329 0.659 1.00 2.34 H new ATOM 0 HG1 THR A 71 9.802 9.150 2.007 1.00 34.34 H new ATOM 0 HG21 THR A 71 11.867 9.344 0.844 1.00 10.14 H new ATOM 0 HG22 THR A 71 11.969 8.605 -0.771 1.00 10.14 H new ATOM 0 HG23 THR A 71 10.997 10.075 -0.525 1.00 10.14 H new ATOM 1090 N GLU A 72 9.350 9.781 -2.676 1.00 70.43 N ATOM 1091 CA GLU A 72 8.894 11.030 -3.286 1.00 45.35 C ATOM 1092 C GLU A 72 7.443 10.907 -3.754 1.00 20.43 C ATOM 1093 O GLU A 72 6.641 11.821 -3.557 1.00 55.22 O ATOM 1094 CB GLU A 72 9.779 11.429 -4.472 1.00 60.52 C ATOM 1095 CG GLU A 72 11.249 11.608 -4.121 1.00 45.23 C ATOM 1096 CD GLU A 72 12.045 12.221 -5.264 1.00 11.21 C ATOM 1097 OE1 GLU A 72 12.064 11.633 -6.365 1.00 41.10 O ATOM 1098 OE2 GLU A 72 12.655 13.294 -5.068 1.00 12.44 O ATOM 0 H GLU A 72 10.152 9.352 -3.137 1.00 70.43 H new ATOM 0 HA GLU A 72 8.962 11.806 -2.523 1.00 45.35 H new ATOM 0 HB2 GLU A 72 9.692 10.668 -5.248 1.00 60.52 H new ATOM 0 HB3 GLU A 72 9.402 12.360 -4.895 1.00 60.52 H new ATOM 0 HG2 GLU A 72 11.335 12.243 -3.240 1.00 45.23 H new ATOM 0 HG3 GLU A 72 11.678 10.641 -3.860 1.00 45.23 H new ATOM 1105 N ASN A 73 7.111 9.767 -4.362 1.00 24.02 N ATOM 1106 CA ASN A 73 5.779 9.560 -4.940 1.00 73.04 C ATOM 1107 C ASN A 73 5.140 8.265 -4.447 1.00 21.14 C ATOM 1108 O ASN A 73 4.003 7.964 -4.793 1.00 11.34 O ATOM 1109 CB ASN A 73 5.855 9.540 -6.478 1.00 53.11 C ATOM 1110 CG ASN A 73 6.286 10.870 -7.076 1.00 35.43 C ATOM 1111 OD1 ASN A 73 6.000 11.939 -6.534 1.00 11.22 O ATOM 1112 ND2 ASN A 73 6.983 10.812 -8.200 1.00 42.15 N ATOM 0 H ASN A 73 7.743 8.974 -4.468 1.00 24.02 H new ATOM 0 HA ASN A 73 5.156 10.393 -4.614 1.00 73.04 H new ATOM 0 HB2 ASN A 73 6.555 8.765 -6.790 1.00 53.11 H new ATOM 0 HB3 ASN A 73 4.879 9.268 -6.880 1.00 53.11 H new ATOM 0 HD21 ASN A 73 7.303 11.671 -8.647 1.00 42.15 H new ATOM 0 HD22 ASN A 73 7.200 9.908 -8.619 1.00 42.15 H new ATOM 1119 N VAL A 74 5.865 7.495 -3.640 1.00 64.12 N ATOM 1120 CA VAL A 74 5.359 6.217 -3.140 1.00 74.44 C ATOM 1121 C VAL A 74 5.120 6.280 -1.636 1.00 70.34 C ATOM 1122 O VAL A 74 5.970 6.752 -0.879 1.00 41.51 O ATOM 1123 CB VAL A 74 6.335 5.060 -3.476 1.00 13.53 C ATOM 1124 CG1 VAL A 74 5.985 3.784 -2.711 1.00 60.12 C ATOM 1125 CG2 VAL A 74 6.345 4.796 -4.978 1.00 34.01 C ATOM 0 H VAL A 74 6.803 7.732 -3.318 1.00 64.12 H new ATOM 0 HA VAL A 74 4.409 6.021 -3.637 1.00 74.44 H new ATOM 0 HB VAL A 74 7.333 5.367 -3.162 1.00 13.53 H new ATOM 0 HG11 VAL A 74 6.692 2.997 -2.974 1.00 60.12 H new ATOM 0 HG12 VAL A 74 6.038 3.976 -1.639 1.00 60.12 H new ATOM 0 HG13 VAL A 74 4.976 3.468 -2.974 1.00 60.12 H new ATOM 0 HG21 VAL A 74 7.034 3.981 -5.200 1.00 34.01 H new ATOM 0 HG22 VAL A 74 5.342 4.522 -5.306 1.00 34.01 H new ATOM 0 HG23 VAL A 74 6.665 5.696 -5.503 1.00 34.01 H new ATOM 1135 N LYS A 75 3.945 5.817 -1.217 1.00 31.52 N ATOM 1136 CA LYS A 75 3.571 5.787 0.194 1.00 44.21 C ATOM 1137 C LYS A 75 2.922 4.449 0.539 1.00 10.51 C ATOM 1138 O LYS A 75 1.902 4.086 -0.045 1.00 51.21 O ATOM 1139 CB LYS A 75 2.594 6.933 0.502 1.00 64.12 C ATOM 1140 CG LYS A 75 3.218 8.326 0.465 1.00 20.24 C ATOM 1141 CD LYS A 75 4.179 8.551 1.634 1.00 31.54 C ATOM 1142 CE LYS A 75 4.727 9.975 1.652 1.00 2.13 C ATOM 1143 NZ LYS A 75 5.553 10.240 2.861 1.00 3.10 N ATOM 0 H LYS A 75 3.227 5.453 -1.844 1.00 31.52 H new ATOM 0 HA LYS A 75 4.470 5.910 0.798 1.00 44.21 H new ATOM 0 HB2 LYS A 75 1.774 6.897 -0.216 1.00 64.12 H new ATOM 0 HB3 LYS A 75 2.161 6.769 1.489 1.00 64.12 H new ATOM 0 HG2 LYS A 75 3.753 8.460 -0.475 1.00 20.24 H new ATOM 0 HG3 LYS A 75 2.430 9.078 0.493 1.00 20.24 H new ATOM 0 HD2 LYS A 75 3.663 8.348 2.573 1.00 31.54 H new ATOM 0 HD3 LYS A 75 5.006 7.844 1.566 1.00 31.54 H new ATOM 0 HE2 LYS A 75 5.328 10.143 0.758 1.00 2.13 H new ATOM 0 HE3 LYS A 75 3.899 10.683 1.617 1.00 2.13 H new ATOM 0 HZ1 LYS A 75 5.905 11.218 2.833 1.00 3.10 H new ATOM 0 HZ2 LYS A 75 4.973 10.105 3.714 1.00 3.10 H new ATOM 0 HZ3 LYS A 75 6.358 9.582 2.882 1.00 3.10 H new ATOM 1157 N ILE A 76 3.516 3.710 1.476 1.00 41.44 N ATOM 1158 CA ILE A 76 2.947 2.442 1.927 1.00 64.44 C ATOM 1159 C ILE A 76 2.344 2.616 3.319 1.00 74.30 C ATOM 1160 O ILE A 76 2.937 3.268 4.185 1.00 74.03 O ATOM 1161 CB ILE A 76 3.989 1.282 1.959 1.00 23.13 C ATOM 1162 CG1 ILE A 76 4.687 1.102 0.594 1.00 33.13 C ATOM 1163 CG2 ILE A 76 3.316 -0.025 2.377 1.00 24.23 C ATOM 1164 CD1 ILE A 76 5.761 2.128 0.302 1.00 3.13 C ATOM 0 H ILE A 76 4.389 3.968 1.936 1.00 41.44 H new ATOM 0 HA ILE A 76 2.179 2.166 1.204 1.00 64.44 H new ATOM 0 HB ILE A 76 4.751 1.547 2.692 1.00 23.13 H new ATOM 0 HG12 ILE A 76 5.131 0.107 0.555 1.00 33.13 H new ATOM 0 HG13 ILE A 76 3.935 1.146 -0.194 1.00 33.13 H new ATOM 0 HG21 ILE A 76 4.056 -0.826 2.395 1.00 24.23 H new ATOM 0 HG22 ILE A 76 2.882 0.091 3.370 1.00 24.23 H new ATOM 0 HG23 ILE A 76 2.530 -0.273 1.664 1.00 24.23 H new ATOM 0 HD11 ILE A 76 6.199 1.928 -0.676 1.00 3.13 H new ATOM 0 HD12 ILE A 76 5.322 3.126 0.306 1.00 3.13 H new ATOM 0 HD13 ILE A 76 6.537 2.070 1.066 1.00 3.13 H new ATOM 1176 N TYR A 77 1.164 2.038 3.521 1.00 0.34 N ATOM 1177 CA TYR A 77 0.436 2.140 4.782 1.00 11.30 C ATOM 1178 C TYR A 77 -0.023 0.758 5.232 1.00 33.41 C ATOM 1179 O TYR A 77 -0.006 -0.191 4.448 1.00 51.04 O ATOM 1180 CB TYR A 77 -0.803 3.034 4.620 1.00 40.24 C ATOM 1181 CG TYR A 77 -0.522 4.437 4.109 1.00 72.24 C ATOM 1182 CD1 TYR A 77 -0.237 5.472 4.989 1.00 42.11 C ATOM 1183 CD2 TYR A 77 -0.558 4.729 2.750 1.00 54.12 C ATOM 1184 CE1 TYR A 77 0.006 6.753 4.531 1.00 45.32 C ATOM 1185 CE2 TYR A 77 -0.319 6.009 2.287 1.00 10.11 C ATOM 1186 CZ TYR A 77 -0.037 7.018 3.180 1.00 21.42 C ATOM 1187 OH TYR A 77 0.196 8.296 2.719 1.00 55.31 O ATOM 0 H TYR A 77 0.684 1.484 2.812 1.00 0.34 H new ATOM 0 HA TYR A 77 1.106 2.574 5.524 1.00 11.30 H new ATOM 0 HB2 TYR A 77 -1.497 2.547 3.935 1.00 40.24 H new ATOM 0 HB3 TYR A 77 -1.307 3.109 5.584 1.00 40.24 H new ATOM 0 HD1 TYR A 77 -0.205 5.273 6.050 1.00 42.11 H new ATOM 0 HD2 TYR A 77 -0.777 3.942 2.044 1.00 54.12 H new ATOM 0 HE1 TYR A 77 0.229 7.545 5.231 1.00 45.32 H new ATOM 0 HE2 TYR A 77 -0.353 6.217 1.228 1.00 10.11 H new ATOM 0 HH TYR A 77 0.129 8.308 1.741 1.00 55.31 H new ATOM 1197 N LYS A 78 -0.436 0.659 6.493 1.00 43.15 N ATOM 1198 CA LYS A 78 -1.110 -0.531 7.007 1.00 24.01 C ATOM 1199 C LYS A 78 -1.930 -0.198 8.254 1.00 33.00 C ATOM 1200 O LYS A 78 -1.783 0.878 8.849 1.00 22.25 O ATOM 1201 CB LYS A 78 -0.138 -1.698 7.280 1.00 52.12 C ATOM 1202 CG LYS A 78 1.170 -1.324 7.973 1.00 21.30 C ATOM 1203 CD LYS A 78 1.931 -2.575 8.442 1.00 11.45 C ATOM 1204 CE LYS A 78 3.421 -2.513 8.118 1.00 52.42 C ATOM 1205 NZ LYS A 78 3.674 -2.682 6.664 1.00 5.14 N ATOM 0 H LYS A 78 -0.314 1.398 7.185 1.00 43.15 H new ATOM 0 HA LYS A 78 -1.789 -0.869 6.224 1.00 24.01 H new ATOM 0 HB2 LYS A 78 -0.652 -2.439 7.892 1.00 52.12 H new ATOM 0 HB3 LYS A 78 0.100 -2.178 6.331 1.00 52.12 H new ATOM 0 HG2 LYS A 78 1.795 -0.750 7.289 1.00 21.30 H new ATOM 0 HG3 LYS A 78 0.960 -0.681 8.828 1.00 21.30 H new ATOM 0 HD2 LYS A 78 1.802 -2.692 9.518 1.00 11.45 H new ATOM 0 HD3 LYS A 78 1.497 -3.457 7.971 1.00 11.45 H new ATOM 0 HE2 LYS A 78 3.826 -1.557 8.449 1.00 52.42 H new ATOM 0 HE3 LYS A 78 3.947 -3.291 8.672 1.00 52.42 H new ATOM 0 HZ1 LYS A 78 4.657 -2.418 6.450 1.00 5.14 H new ATOM 0 HZ2 LYS A 78 3.516 -3.675 6.397 1.00 5.14 H new ATOM 0 HZ3 LYS A 78 3.027 -2.071 6.126 1.00 5.14 H new ATOM 1219 N ILE A 79 -2.791 -1.140 8.631 1.00 42.15 N ATOM 1220 CA ILE A 79 -3.787 -0.939 9.683 1.00 23.01 C ATOM 1221 C ILE A 79 -3.157 -0.913 11.080 1.00 53.23 C ATOM 1222 O ILE A 79 -2.150 -1.580 11.341 1.00 61.24 O ATOM 1223 CB ILE A 79 -4.876 -2.048 9.626 1.00 20.44 C ATOM 1224 CG1 ILE A 79 -5.965 -1.823 10.695 1.00 42.14 C ATOM 1225 CG2 ILE A 79 -4.248 -3.435 9.778 1.00 12.13 C ATOM 1226 CD1 ILE A 79 -6.728 -0.522 10.534 1.00 1.43 C ATOM 0 H ILE A 79 -2.818 -2.070 8.213 1.00 42.15 H new ATOM 0 HA ILE A 79 -4.244 0.034 9.502 1.00 23.01 H new ATOM 0 HB ILE A 79 -5.353 -1.992 8.648 1.00 20.44 H new ATOM 0 HG12 ILE A 79 -6.671 -2.653 10.660 1.00 42.14 H new ATOM 0 HG13 ILE A 79 -5.501 -1.840 11.681 1.00 42.14 H new ATOM 0 HG21 ILE A 79 -5.029 -4.195 9.735 1.00 12.13 H new ATOM 0 HG22 ILE A 79 -3.535 -3.602 8.971 1.00 12.13 H new ATOM 0 HG23 ILE A 79 -3.733 -3.498 10.736 1.00 12.13 H new ATOM 0 HD11 ILE A 79 -7.475 -0.438 11.323 1.00 1.43 H new ATOM 0 HD12 ILE A 79 -6.035 0.317 10.600 1.00 1.43 H new ATOM 0 HD13 ILE A 79 -7.223 -0.508 9.563 1.00 1.43 H new ATOM 1238 N ASN A 80 -3.760 -0.120 11.964 1.00 32.33 N ATOM 1239 CA ASN A 80 -3.351 -0.048 13.364 1.00 12.53 C ATOM 1240 C ASN A 80 -4.389 -0.724 14.259 1.00 3.14 C ATOM 1241 O ASN A 80 -4.071 -1.657 14.997 1.00 23.32 O ATOM 1242 CB ASN A 80 -3.181 1.422 13.784 1.00 22.43 C ATOM 1243 CG ASN A 80 -2.523 1.635 15.151 1.00 61.53 C ATOM 1244 OD1 ASN A 80 -1.842 2.634 15.351 1.00 61.13 O ATOM 1245 ND2 ASN A 80 -2.717 0.731 16.107 1.00 13.22 N ATOM 0 H ASN A 80 -4.544 0.489 11.730 1.00 32.33 H new ATOM 0 HA ASN A 80 -2.400 -0.568 13.476 1.00 12.53 H new ATOM 0 HB2 ASN A 80 -2.585 1.933 13.028 1.00 22.43 H new ATOM 0 HB3 ASN A 80 -4.162 1.897 13.792 1.00 22.43 H new ATOM 0 HD21 ASN A 80 -2.296 0.863 17.027 1.00 13.22 H new ATOM 0 HD22 ASN A 80 -3.287 -0.094 15.921 1.00 13.22 H new ATOM 1252 N ILE A 81 -5.627 -0.241 14.201 1.00 24.35 N ATOM 1253 CA ILE A 81 -6.673 -0.699 15.113 1.00 2.41 C ATOM 1254 C ILE A 81 -7.097 -2.134 14.794 1.00 63.31 C ATOM 1255 O ILE A 81 -7.803 -2.385 13.813 1.00 24.14 O ATOM 1256 CB ILE A 81 -7.917 0.225 15.077 1.00 43.13 C ATOM 1257 CG1 ILE A 81 -7.508 1.691 15.307 1.00 31.54 C ATOM 1258 CG2 ILE A 81 -8.942 -0.220 16.124 1.00 3.12 C ATOM 1259 CD1 ILE A 81 -8.668 2.667 15.263 1.00 54.30 C ATOM 0 H ILE A 81 -5.931 0.467 13.533 1.00 24.35 H new ATOM 0 HA ILE A 81 -6.247 -0.666 16.116 1.00 2.41 H new ATOM 0 HB ILE A 81 -8.376 0.149 14.091 1.00 43.13 H new ATOM 0 HG12 ILE A 81 -7.014 1.772 16.275 1.00 31.54 H new ATOM 0 HG13 ILE A 81 -6.777 1.977 14.551 1.00 31.54 H new ATOM 0 HG21 ILE A 81 -9.810 0.439 16.086 1.00 3.12 H new ATOM 0 HG22 ILE A 81 -9.254 -1.243 15.916 1.00 3.12 H new ATOM 0 HG23 ILE A 81 -8.493 -0.172 17.116 1.00 3.12 H new ATOM 0 HD11 ILE A 81 -8.299 3.678 15.434 1.00 54.30 H new ATOM 0 HD12 ILE A 81 -9.149 2.616 14.286 1.00 54.30 H new ATOM 0 HD13 ILE A 81 -9.390 2.409 16.037 1.00 54.30 H new ATOM 1271 N GLU A 82 -6.661 -3.064 15.637 1.00 64.32 N ATOM 1272 CA GLU A 82 -6.970 -4.482 15.471 1.00 73.10 C ATOM 1273 C GLU A 82 -8.482 -4.716 15.412 1.00 42.41 C ATOM 1274 O GLU A 82 -8.954 -5.600 14.695 1.00 74.24 O ATOM 1275 CB GLU A 82 -6.363 -5.289 16.630 1.00 54.03 C ATOM 1276 CG GLU A 82 -6.939 -4.917 17.993 1.00 22.41 C ATOM 1277 CD GLU A 82 -6.366 -5.736 19.137 1.00 1.44 C ATOM 1278 OE1 GLU A 82 -6.519 -6.976 19.117 1.00 31.31 O ATOM 1279 OE2 GLU A 82 -5.791 -5.142 20.078 1.00 1.41 O ATOM 0 H GLU A 82 -6.085 -2.858 16.453 1.00 64.32 H new ATOM 0 HA GLU A 82 -6.537 -4.815 14.528 1.00 73.10 H new ATOM 0 HB2 GLU A 82 -6.530 -6.351 16.450 1.00 54.03 H new ATOM 0 HB3 GLU A 82 -5.284 -5.134 16.645 1.00 54.03 H new ATOM 0 HG2 GLU A 82 -6.750 -3.860 18.183 1.00 22.41 H new ATOM 0 HG3 GLU A 82 -8.021 -5.048 17.969 1.00 22.41 H new ATOM 1286 N ASP A 83 -9.232 -3.906 16.158 1.00 64.44 N ATOM 1287 CA ASP A 83 -10.684 -4.077 16.282 1.00 43.20 C ATOM 1288 C ASP A 83 -11.430 -3.335 15.177 1.00 73.44 C ATOM 1289 O ASP A 83 -12.662 -3.326 15.150 1.00 64.42 O ATOM 1290 CB ASP A 83 -11.167 -3.583 17.656 1.00 45.43 C ATOM 1291 CG ASP A 83 -10.514 -4.321 18.813 1.00 45.22 C ATOM 1292 OD1 ASP A 83 -10.818 -5.519 19.014 1.00 33.11 O ATOM 1293 OD2 ASP A 83 -9.698 -3.704 19.531 1.00 22.55 O ATOM 0 H ASP A 83 -8.858 -3.120 16.689 1.00 64.44 H new ATOM 0 HA ASP A 83 -10.899 -5.141 16.184 1.00 43.20 H new ATOM 0 HB2 ASP A 83 -10.958 -2.517 17.747 1.00 45.43 H new ATOM 0 HB3 ASP A 83 -12.249 -3.702 17.720 1.00 45.43 H new ATOM 1298 N ASN A 84 -10.688 -2.713 14.265 1.00 73.32 N ATOM 1299 CA ASN A 84 -11.293 -1.970 13.162 1.00 42.33 C ATOM 1300 C ASN A 84 -10.520 -2.216 11.874 1.00 71.31 C ATOM 1301 O ASN A 84 -9.547 -1.524 11.576 1.00 4.11 O ATOM 1302 CB ASN A 84 -11.355 -0.463 13.468 1.00 44.23 C ATOM 1303 CG ASN A 84 -12.486 -0.087 14.412 1.00 61.42 C ATOM 1304 OD1 ASN A 84 -12.325 -0.092 15.631 1.00 52.24 O ATOM 1305 ND2 ASN A 84 -13.637 0.265 13.851 1.00 71.14 N ATOM 0 H ASN A 84 -9.668 -2.708 14.267 1.00 73.32 H new ATOM 0 HA ASN A 84 -12.315 -2.328 13.037 1.00 42.33 H new ATOM 0 HB2 ASN A 84 -10.407 -0.149 13.905 1.00 44.23 H new ATOM 0 HB3 ASN A 84 -11.473 0.086 12.534 1.00 44.23 H new ATOM 0 HD21 ASN A 84 -14.425 0.544 14.436 1.00 71.14 H new ATOM 0 HD22 ASN A 84 -13.733 0.257 12.836 1.00 71.14 H new ATOM 1312 N GLN A 85 -10.938 -3.244 11.144 1.00 1.34 N ATOM 1313 CA GLN A 85 -10.371 -3.564 9.836 1.00 3.35 C ATOM 1314 C GLN A 85 -11.458 -3.453 8.771 1.00 14.22 C ATOM 1315 O GLN A 85 -11.276 -3.888 7.630 1.00 52.53 O ATOM 1316 CB GLN A 85 -9.785 -4.985 9.849 1.00 32.34 C ATOM 1317 CG GLN A 85 -8.729 -5.212 10.924 1.00 73.21 C ATOM 1318 CD GLN A 85 -8.279 -6.661 11.009 1.00 40.14 C ATOM 1319 OE1 GLN A 85 -9.040 -7.583 10.710 1.00 73.34 O ATOM 1320 NE2 GLN A 85 -7.041 -6.874 11.424 1.00 54.42 N ATOM 0 H GLN A 85 -11.679 -3.879 11.441 1.00 1.34 H new ATOM 0 HA GLN A 85 -9.571 -2.860 9.607 1.00 3.35 H new ATOM 0 HB2 GLN A 85 -10.595 -5.699 9.994 1.00 32.34 H new ATOM 0 HB3 GLN A 85 -9.346 -5.195 8.874 1.00 32.34 H new ATOM 0 HG2 GLN A 85 -7.866 -4.579 10.718 1.00 73.21 H new ATOM 0 HG3 GLN A 85 -9.128 -4.903 11.890 1.00 73.21 H new ATOM 0 HE21 GLN A 85 -6.440 -6.085 11.663 1.00 54.42 H new ATOM 0 HE22 GLN A 85 -6.687 -7.827 11.505 1.00 54.42 H new ATOM 1329 N ASP A 86 -12.576 -2.837 9.156 1.00 73.44 N ATOM 1330 CA ASP A 86 -13.767 -2.765 8.311 1.00 32.21 C ATOM 1331 C ASP A 86 -13.412 -2.292 6.911 1.00 1.41 C ATOM 1332 O ASP A 86 -13.752 -2.944 5.921 1.00 62.04 O ATOM 1333 CB ASP A 86 -14.810 -1.825 8.927 1.00 10.44 C ATOM 1334 CG ASP A 86 -16.050 -1.677 8.055 1.00 53.42 C ATOM 1335 OD1 ASP A 86 -16.808 -2.659 7.926 1.00 10.41 O ATOM 1336 OD2 ASP A 86 -16.280 -0.576 7.506 1.00 44.51 O ATOM 0 H ASP A 86 -12.681 -2.375 10.060 1.00 73.44 H new ATOM 0 HA ASP A 86 -14.189 -3.768 8.244 1.00 32.21 H new ATOM 0 HB2 ASP A 86 -15.102 -2.204 9.907 1.00 10.44 H new ATOM 0 HB3 ASP A 86 -14.362 -0.844 9.085 1.00 10.44 H new ATOM 1341 N VAL A 87 -12.687 -1.182 6.846 1.00 63.21 N ATOM 1342 CA VAL A 87 -12.275 -0.598 5.575 1.00 22.43 C ATOM 1343 C VAL A 87 -11.563 -1.636 4.703 1.00 23.35 C ATOM 1344 O VAL A 87 -11.770 -1.692 3.486 1.00 22.12 O ATOM 1345 CB VAL A 87 -11.348 0.624 5.802 1.00 73.05 C ATOM 1346 CG1 VAL A 87 -10.898 1.225 4.478 1.00 10.15 C ATOM 1347 CG2 VAL A 87 -12.045 1.678 6.662 1.00 53.32 C ATOM 0 H VAL A 87 -12.370 -0.664 7.666 1.00 63.21 H new ATOM 0 HA VAL A 87 -13.174 -0.263 5.058 1.00 22.43 H new ATOM 0 HB VAL A 87 -10.461 0.277 6.333 1.00 73.05 H new ATOM 0 HG11 VAL A 87 -10.249 2.080 4.668 1.00 10.15 H new ATOM 0 HG12 VAL A 87 -10.352 0.476 3.905 1.00 10.15 H new ATOM 0 HG13 VAL A 87 -11.770 1.550 3.911 1.00 10.15 H new ATOM 0 HG21 VAL A 87 -11.377 2.527 6.809 1.00 53.32 H new ATOM 0 HG22 VAL A 87 -12.953 2.013 6.162 1.00 53.32 H new ATOM 0 HG23 VAL A 87 -12.302 1.246 7.629 1.00 53.32 H new ATOM 1357 N ALA A 88 -10.768 -2.491 5.339 1.00 53.54 N ATOM 1358 CA ALA A 88 -10.011 -3.507 4.621 1.00 4.10 C ATOM 1359 C ALA A 88 -10.966 -4.519 3.997 1.00 53.33 C ATOM 1360 O ALA A 88 -10.828 -4.896 2.827 1.00 74.44 O ATOM 1361 CB ALA A 88 -9.025 -4.196 5.562 1.00 2.23 C ATOM 0 H ALA A 88 -10.632 -2.499 6.350 1.00 53.54 H new ATOM 0 HA ALA A 88 -9.441 -3.032 3.823 1.00 4.10 H new ATOM 0 HB1 ALA A 88 -8.466 -4.953 5.012 1.00 2.23 H new ATOM 0 HB2 ALA A 88 -8.334 -3.458 5.968 1.00 2.23 H new ATOM 0 HB3 ALA A 88 -9.571 -4.669 6.378 1.00 2.23 H new ATOM 1367 N THR A 89 -11.959 -4.925 4.779 1.00 11.21 N ATOM 1368 CA THR A 89 -12.960 -5.884 4.332 1.00 51.00 C ATOM 1369 C THR A 89 -13.827 -5.283 3.219 1.00 61.11 C ATOM 1370 O THR A 89 -14.314 -5.996 2.337 1.00 10.31 O ATOM 1371 CB THR A 89 -13.857 -6.314 5.515 1.00 30.40 C ATOM 1372 OG1 THR A 89 -13.045 -6.578 6.672 1.00 22.54 O ATOM 1373 CG2 THR A 89 -14.671 -7.556 5.168 1.00 22.42 C ATOM 0 H THR A 89 -12.092 -4.600 5.737 1.00 11.21 H new ATOM 0 HA THR A 89 -12.441 -6.758 3.940 1.00 51.00 H new ATOM 0 HB THR A 89 -14.549 -5.499 5.728 1.00 30.40 H new ATOM 0 HG1 THR A 89 -13.618 -6.848 7.419 1.00 22.54 H new ATOM 0 HG21 THR A 89 -15.292 -7.834 6.020 1.00 22.42 H new ATOM 0 HG22 THR A 89 -15.307 -7.346 4.308 1.00 22.42 H new ATOM 0 HG23 THR A 89 -13.996 -8.378 4.927 1.00 22.42 H new ATOM 1381 N GLN A 90 -14.000 -3.962 3.265 1.00 71.31 N ATOM 1382 CA GLN A 90 -14.810 -3.247 2.279 1.00 52.44 C ATOM 1383 C GLN A 90 -14.081 -3.142 0.941 1.00 20.25 C ATOM 1384 O GLN A 90 -14.689 -3.310 -0.118 1.00 5.22 O ATOM 1385 CB GLN A 90 -15.179 -1.850 2.803 1.00 54.33 C ATOM 1386 CG GLN A 90 -15.938 -1.877 4.127 1.00 61.13 C ATOM 1387 CD GLN A 90 -17.340 -2.461 4.016 1.00 73.14 C ATOM 1388 OE1 GLN A 90 -17.635 -3.263 3.129 1.00 21.20 O ATOM 1389 NE2 GLN A 90 -18.206 -2.082 4.939 1.00 32.12 N ATOM 0 H GLN A 90 -13.587 -3.362 3.979 1.00 71.31 H new ATOM 0 HA GLN A 90 -15.727 -3.814 2.118 1.00 52.44 H new ATOM 0 HB2 GLN A 90 -14.268 -1.265 2.928 1.00 54.33 H new ATOM 0 HB3 GLN A 90 -15.786 -1.339 2.056 1.00 54.33 H new ATOM 0 HG2 GLN A 90 -15.368 -2.459 4.851 1.00 61.13 H new ATOM 0 HG3 GLN A 90 -16.007 -0.862 4.517 1.00 61.13 H new ATOM 0 HE21 GLN A 90 -17.926 -1.416 5.658 1.00 32.12 H new ATOM 0 HE22 GLN A 90 -19.155 -2.456 4.932 1.00 32.12 H new ATOM 1398 N TYR A 91 -12.778 -2.859 0.983 1.00 2.25 N ATOM 1399 CA TYR A 91 -11.985 -2.758 -0.245 1.00 34.30 C ATOM 1400 C TYR A 91 -11.700 -4.133 -0.849 1.00 43.33 C ATOM 1401 O TYR A 91 -11.585 -4.264 -2.073 1.00 41.02 O ATOM 1402 CB TYR A 91 -10.686 -1.979 -0.002 1.00 63.22 C ATOM 1403 CG TYR A 91 -10.892 -0.474 -0.011 1.00 54.14 C ATOM 1404 CD1 TYR A 91 -10.857 0.239 -1.205 1.00 42.20 C ATOM 1405 CD2 TYR A 91 -11.135 0.230 1.160 1.00 62.31 C ATOM 1406 CE1 TYR A 91 -11.056 1.606 -1.229 1.00 2.03 C ATOM 1407 CE2 TYR A 91 -11.339 1.596 1.145 1.00 74.44 C ATOM 1408 CZ TYR A 91 -11.296 2.280 -0.050 1.00 42.21 C ATOM 1409 OH TYR A 91 -11.501 3.642 -0.063 1.00 32.24 O ATOM 0 H TYR A 91 -12.254 -2.697 1.843 1.00 2.25 H new ATOM 0 HA TYR A 91 -12.579 -2.202 -0.971 1.00 34.30 H new ATOM 0 HB2 TYR A 91 -10.263 -2.277 0.957 1.00 63.22 H new ATOM 0 HB3 TYR A 91 -9.959 -2.246 -0.769 1.00 63.22 H new ATOM 0 HD1 TYR A 91 -10.671 -0.286 -2.130 1.00 42.20 H new ATOM 0 HD2 TYR A 91 -11.165 -0.300 2.100 1.00 62.31 H new ATOM 0 HE1 TYR A 91 -11.024 2.143 -2.165 1.00 2.03 H new ATOM 0 HE2 TYR A 91 -11.531 2.126 2.066 1.00 74.44 H new ATOM 0 HH TYR A 91 -11.657 3.958 0.851 1.00 32.24 H new ATOM 1419 N GLY A 92 -11.583 -5.156 -0.002 1.00 44.25 N ATOM 1420 CA GLY A 92 -11.469 -6.520 -0.507 1.00 64.44 C ATOM 1421 C GLY A 92 -10.264 -7.272 0.028 1.00 73.45 C ATOM 1422 O GLY A 92 -9.569 -7.961 -0.725 1.00 42.43 O ATOM 0 H GLY A 92 -11.565 -5.069 1.014 1.00 44.25 H new ATOM 0 HA2 GLY A 92 -12.374 -7.070 -0.248 1.00 64.44 H new ATOM 0 HA3 GLY A 92 -11.414 -6.491 -1.595 1.00 64.44 H new ATOM 1426 N VAL A 93 -10.008 -7.150 1.324 1.00 1.31 N ATOM 1427 CA VAL A 93 -8.954 -7.923 1.970 1.00 22.23 C ATOM 1428 C VAL A 93 -9.531 -9.237 2.494 1.00 20.41 C ATOM 1429 O VAL A 93 -10.286 -9.250 3.468 1.00 64.02 O ATOM 1430 CB VAL A 93 -8.289 -7.136 3.126 1.00 22.34 C ATOM 1431 CG1 VAL A 93 -7.253 -7.999 3.849 1.00 31.44 C ATOM 1432 CG2 VAL A 93 -7.650 -5.851 2.602 1.00 4.04 C ATOM 0 H VAL A 93 -10.515 -6.523 1.949 1.00 1.31 H new ATOM 0 HA VAL A 93 -8.183 -8.128 1.227 1.00 22.23 H new ATOM 0 HB VAL A 93 -9.064 -6.867 3.844 1.00 22.34 H new ATOM 0 HG11 VAL A 93 -6.800 -7.424 4.657 1.00 31.44 H new ATOM 0 HG12 VAL A 93 -7.740 -8.883 4.262 1.00 31.44 H new ATOM 0 HG13 VAL A 93 -6.480 -8.306 3.145 1.00 31.44 H new ATOM 0 HG21 VAL A 93 -7.188 -5.311 3.428 1.00 4.04 H new ATOM 0 HG22 VAL A 93 -6.891 -6.099 1.860 1.00 4.04 H new ATOM 0 HG23 VAL A 93 -8.415 -5.225 2.143 1.00 4.04 H new ATOM 1442 N SER A 94 -9.190 -10.336 1.825 1.00 10.35 N ATOM 1443 CA SER A 94 -9.736 -11.649 2.161 1.00 14.14 C ATOM 1444 C SER A 94 -8.625 -12.706 2.177 1.00 21.25 C ATOM 1445 O SER A 94 -8.884 -13.907 2.068 1.00 25.24 O ATOM 1446 CB SER A 94 -10.834 -12.018 1.147 1.00 4.12 C ATOM 1447 OG SER A 94 -11.572 -13.157 1.559 1.00 70.04 O ATOM 0 H SER A 94 -8.535 -10.343 1.043 1.00 10.35 H new ATOM 0 HA SER A 94 -10.173 -11.615 3.159 1.00 14.14 H new ATOM 0 HB2 SER A 94 -11.511 -11.173 1.021 1.00 4.12 H new ATOM 0 HB3 SER A 94 -10.381 -12.211 0.175 1.00 4.12 H new ATOM 0 HG SER A 94 -10.954 -13.863 1.841 1.00 70.04 H new ATOM 1453 N ALA A 95 -7.386 -12.249 2.332 1.00 32.13 N ATOM 1454 CA ALA A 95 -6.230 -13.138 2.381 1.00 55.03 C ATOM 1455 C ALA A 95 -5.297 -12.720 3.511 1.00 4.01 C ATOM 1456 O ALA A 95 -5.459 -11.640 4.089 1.00 72.23 O ATOM 1457 CB ALA A 95 -5.493 -13.126 1.046 1.00 24.44 C ATOM 0 H ALA A 95 -7.156 -11.260 2.427 1.00 32.13 H new ATOM 0 HA ALA A 95 -6.576 -14.154 2.572 1.00 55.03 H new ATOM 0 HB1 ALA A 95 -4.633 -13.794 1.099 1.00 24.44 H new ATOM 0 HB2 ALA A 95 -6.165 -13.462 0.256 1.00 24.44 H new ATOM 0 HB3 ALA A 95 -5.153 -12.114 0.827 1.00 24.44 H new ATOM 1463 N ILE A 96 -4.326 -13.574 3.828 1.00 54.40 N ATOM 1464 CA ILE A 96 -3.352 -13.277 4.875 1.00 73.40 C ATOM 1465 C ILE A 96 -2.436 -12.120 4.450 1.00 44.43 C ATOM 1466 O ILE A 96 -2.293 -11.151 5.193 1.00 32.43 O ATOM 1467 CB ILE A 96 -2.514 -14.529 5.261 1.00 34.40 C ATOM 1468 CG1 ILE A 96 -3.428 -15.648 5.791 1.00 73.52 C ATOM 1469 CG2 ILE A 96 -1.441 -14.177 6.290 1.00 74.01 C ATOM 1470 CD1 ILE A 96 -4.223 -15.266 7.026 1.00 22.30 C ATOM 0 H ILE A 96 -4.193 -14.478 3.374 1.00 54.40 H new ATOM 0 HA ILE A 96 -3.909 -12.974 5.761 1.00 73.40 H new ATOM 0 HB ILE A 96 -2.012 -14.889 4.363 1.00 34.40 H new ATOM 0 HG12 ILE A 96 -4.121 -15.941 5.002 1.00 73.52 H new ATOM 0 HG13 ILE A 96 -2.819 -16.522 6.020 1.00 73.52 H new ATOM 0 HG21 ILE A 96 -0.871 -15.071 6.541 1.00 74.01 H new ATOM 0 HG22 ILE A 96 -0.771 -13.424 5.874 1.00 74.01 H new ATOM 0 HG23 ILE A 96 -1.915 -13.784 7.190 1.00 74.01 H new ATOM 0 HD11 ILE A 96 -4.841 -16.109 7.336 1.00 22.30 H new ATOM 0 HD12 ILE A 96 -3.538 -15.003 7.832 1.00 22.30 H new ATOM 0 HD13 ILE A 96 -4.861 -14.412 6.798 1.00 22.30 H new ATOM 1482 N PRO A 97 -1.787 -12.200 3.257 1.00 3.42 N ATOM 1483 CA PRO A 97 -1.032 -11.095 2.688 1.00 72.42 C ATOM 1484 C PRO A 97 -1.807 -10.393 1.563 1.00 42.21 C ATOM 1485 O PRO A 97 -1.974 -10.947 0.471 1.00 12.13 O ATOM 1486 CB PRO A 97 0.205 -11.817 2.131 1.00 73.11 C ATOM 1487 CG PRO A 97 -0.250 -13.227 1.837 1.00 3.54 C ATOM 1488 CD PRO A 97 -1.661 -13.372 2.378 1.00 64.40 C ATOM 0 HA PRO A 97 -0.809 -10.306 3.406 1.00 72.42 H new ATOM 0 HB2 PRO A 97 0.573 -11.327 1.229 1.00 73.11 H new ATOM 0 HB3 PRO A 97 1.022 -11.810 2.853 1.00 73.11 H new ATOM 0 HG2 PRO A 97 -0.228 -13.421 0.765 1.00 3.54 H new ATOM 0 HG3 PRO A 97 0.417 -13.951 2.306 1.00 3.54 H new ATOM 0 HD2 PRO A 97 -2.404 -13.363 1.581 1.00 64.40 H new ATOM 0 HD3 PRO A 97 -1.792 -14.306 2.925 1.00 64.40 H new ATOM 1496 N THR A 98 -2.290 -9.185 1.832 1.00 25.45 N ATOM 1497 CA THR A 98 -3.063 -8.431 0.845 1.00 54.31 C ATOM 1498 C THR A 98 -2.553 -6.990 0.740 1.00 61.43 C ATOM 1499 O THR A 98 -2.563 -6.252 1.724 1.00 23.34 O ATOM 1500 CB THR A 98 -4.563 -8.418 1.217 1.00 12.54 C ATOM 1501 OG1 THR A 98 -5.008 -9.754 1.498 1.00 3.12 O ATOM 1502 CG2 THR A 98 -5.408 -7.819 0.093 1.00 60.14 C ATOM 0 H THR A 98 -2.162 -8.705 2.723 1.00 25.45 H new ATOM 0 HA THR A 98 -2.939 -8.924 -0.119 1.00 54.31 H new ATOM 0 HB THR A 98 -4.686 -7.796 2.104 1.00 12.54 H new ATOM 0 HG1 THR A 98 -4.983 -9.911 2.465 1.00 3.12 H new ATOM 0 HG21 THR A 98 -6.458 -7.824 0.385 1.00 60.14 H new ATOM 0 HG22 THR A 98 -5.089 -6.794 -0.096 1.00 60.14 H new ATOM 0 HG23 THR A 98 -5.281 -8.411 -0.813 1.00 60.14 H new ATOM 1510 N ILE A 99 -2.084 -6.606 -0.447 1.00 33.24 N ATOM 1511 CA ILE A 99 -1.612 -5.245 -0.697 1.00 63.31 C ATOM 1512 C ILE A 99 -2.575 -4.514 -1.636 1.00 33.30 C ATOM 1513 O ILE A 99 -2.741 -4.904 -2.793 1.00 23.40 O ATOM 1514 CB ILE A 99 -0.180 -5.218 -1.316 1.00 22.43 C ATOM 1515 CG1 ILE A 99 0.879 -5.742 -0.325 1.00 3.41 C ATOM 1516 CG2 ILE A 99 0.182 -3.805 -1.778 1.00 0.03 C ATOM 1517 CD1 ILE A 99 0.821 -7.235 -0.071 1.00 74.33 C ATOM 0 H ILE A 99 -2.021 -7.224 -1.256 1.00 33.24 H new ATOM 0 HA ILE A 99 -1.573 -4.743 0.270 1.00 63.31 H new ATOM 0 HB ILE A 99 -0.186 -5.882 -2.180 1.00 22.43 H new ATOM 0 HG12 ILE A 99 1.869 -5.489 -0.704 1.00 3.41 H new ATOM 0 HG13 ILE A 99 0.759 -5.220 0.624 1.00 3.41 H new ATOM 0 HG21 ILE A 99 1.184 -3.808 -2.206 1.00 0.03 H new ATOM 0 HG22 ILE A 99 -0.533 -3.474 -2.531 1.00 0.03 H new ATOM 0 HG23 ILE A 99 0.153 -3.125 -0.926 1.00 0.03 H new ATOM 0 HD11 ILE A 99 1.601 -7.514 0.637 1.00 74.33 H new ATOM 0 HD12 ILE A 99 -0.154 -7.496 0.341 1.00 74.33 H new ATOM 0 HD13 ILE A 99 0.974 -7.770 -1.008 1.00 74.33 H new ATOM 1529 N LEU A 100 -3.213 -3.468 -1.123 1.00 30.14 N ATOM 1530 CA LEU A 100 -4.102 -2.623 -1.919 1.00 1.11 C ATOM 1531 C LEU A 100 -3.290 -1.501 -2.568 1.00 52.32 C ATOM 1532 O LEU A 100 -2.417 -0.924 -1.922 1.00 52.53 O ATOM 1533 CB LEU A 100 -5.194 -2.015 -1.022 1.00 30.02 C ATOM 1534 CG LEU A 100 -6.019 -3.020 -0.196 1.00 60.24 C ATOM 1535 CD1 LEU A 100 -6.976 -2.288 0.743 1.00 22.21 C ATOM 1536 CD2 LEU A 100 -6.790 -3.971 -1.109 1.00 13.35 C ATOM 0 H LEU A 100 -3.131 -3.181 -0.148 1.00 30.14 H new ATOM 0 HA LEU A 100 -4.574 -3.229 -2.692 1.00 1.11 H new ATOM 0 HB2 LEU A 100 -4.724 -1.310 -0.337 1.00 30.02 H new ATOM 0 HB3 LEU A 100 -5.877 -1.443 -1.650 1.00 30.02 H new ATOM 0 HG LEU A 100 -5.328 -3.610 0.406 1.00 60.24 H new ATOM 0 HD11 LEU A 100 -7.550 -3.015 1.317 1.00 22.21 H new ATOM 0 HD12 LEU A 100 -6.406 -1.656 1.424 1.00 22.21 H new ATOM 0 HD13 LEU A 100 -7.657 -1.669 0.159 1.00 22.21 H new ATOM 0 HD21 LEU A 100 -7.365 -4.671 -0.503 1.00 13.35 H new ATOM 0 HD22 LEU A 100 -7.467 -3.398 -1.742 1.00 13.35 H new ATOM 0 HD23 LEU A 100 -6.089 -4.523 -1.734 1.00 13.35 H new ATOM 1548 N MET A 101 -3.549 -1.202 -3.838 1.00 32.41 N ATOM 1549 CA MET A 101 -2.845 -0.113 -4.518 1.00 11.25 C ATOM 1550 C MET A 101 -3.827 0.997 -4.909 1.00 24.03 C ATOM 1551 O MET A 101 -4.973 0.721 -5.271 1.00 52.40 O ATOM 1552 CB MET A 101 -2.117 -0.649 -5.767 1.00 72.01 C ATOM 1553 CG MET A 101 -1.211 -1.850 -5.495 1.00 35.22 C ATOM 1554 SD MET A 101 -0.133 -2.231 -6.888 1.00 71.14 S ATOM 1555 CE MET A 101 0.868 -0.747 -6.943 1.00 13.22 C ATOM 0 H MET A 101 -4.234 -1.691 -4.414 1.00 32.41 H new ATOM 0 HA MET A 101 -2.106 0.305 -3.834 1.00 11.25 H new ATOM 0 HB2 MET A 101 -2.859 -0.929 -6.514 1.00 72.01 H new ATOM 0 HB3 MET A 101 -1.518 0.154 -6.198 1.00 72.01 H new ATOM 0 HG2 MET A 101 -0.603 -1.650 -4.613 1.00 35.22 H new ATOM 0 HG3 MET A 101 -1.826 -2.721 -5.267 1.00 35.22 H new ATOM 0 HE1 MET A 101 0.601 -0.160 -7.822 1.00 13.22 H new ATOM 0 HE2 MET A 101 0.692 -0.156 -6.044 1.00 13.22 H new ATOM 0 HE3 MET A 101 1.922 -1.021 -6.996 1.00 13.22 H new ATOM 1565 N PHE A 102 -3.376 2.250 -4.820 1.00 35.13 N ATOM 1566 CA PHE A 102 -4.171 3.417 -5.227 1.00 45.42 C ATOM 1567 C PHE A 102 -3.250 4.454 -5.878 1.00 44.52 C ATOM 1568 O PHE A 102 -2.059 4.491 -5.570 1.00 32.44 O ATOM 1569 CB PHE A 102 -4.876 4.049 -4.013 1.00 30.34 C ATOM 1570 CG PHE A 102 -5.744 3.090 -3.234 1.00 64.14 C ATOM 1571 CD1 PHE A 102 -7.022 2.769 -3.676 1.00 24.14 C ATOM 1572 CD2 PHE A 102 -5.279 2.503 -2.062 1.00 32.50 C ATOM 1573 CE1 PHE A 102 -7.814 1.886 -2.965 1.00 71.43 C ATOM 1574 CE2 PHE A 102 -6.069 1.619 -1.350 1.00 11.10 C ATOM 1575 CZ PHE A 102 -7.337 1.311 -1.804 1.00 54.31 C ATOM 0 H PHE A 102 -2.450 2.487 -4.464 1.00 35.13 H new ATOM 0 HA PHE A 102 -4.930 3.092 -5.938 1.00 45.42 H new ATOM 0 HB2 PHE A 102 -4.122 4.464 -3.344 1.00 30.34 H new ATOM 0 HB3 PHE A 102 -5.491 4.881 -4.356 1.00 30.34 H new ATOM 0 HD1 PHE A 102 -7.401 3.214 -4.584 1.00 24.14 H new ATOM 0 HD2 PHE A 102 -4.288 2.741 -1.703 1.00 32.50 H new ATOM 0 HE1 PHE A 102 -8.806 1.646 -3.318 1.00 71.43 H new ATOM 0 HE2 PHE A 102 -5.696 1.170 -0.441 1.00 11.10 H new ATOM 0 HZ PHE A 102 -7.955 0.620 -1.250 1.00 54.31 H new ATOM 1585 N LYS A 103 -3.778 5.289 -6.778 1.00 14.50 N ATOM 1586 CA LYS A 103 -2.962 6.352 -7.377 1.00 23.23 C ATOM 1587 C LYS A 103 -3.775 7.625 -7.603 1.00 53.21 C ATOM 1588 O LYS A 103 -4.626 7.677 -8.488 1.00 21.21 O ATOM 1589 CB LYS A 103 -2.340 5.892 -8.706 1.00 71.34 C ATOM 1590 CG LYS A 103 -1.431 6.942 -9.352 1.00 73.13 C ATOM 1591 CD LYS A 103 -0.966 6.523 -10.747 1.00 64.44 C ATOM 1592 CE LYS A 103 -0.098 7.592 -11.403 1.00 1.53 C ATOM 1593 NZ LYS A 103 0.175 7.277 -12.830 1.00 11.14 N ATOM 0 H LYS A 103 -4.744 5.253 -7.103 1.00 14.50 H new ATOM 0 HA LYS A 103 -2.162 6.574 -6.670 1.00 23.23 H new ATOM 0 HB2 LYS A 103 -1.765 4.982 -8.533 1.00 71.34 H new ATOM 0 HB3 LYS A 103 -3.139 5.637 -9.402 1.00 71.34 H new ATOM 0 HG2 LYS A 103 -1.964 7.890 -9.418 1.00 73.13 H new ATOM 0 HG3 LYS A 103 -0.562 7.109 -8.716 1.00 73.13 H new ATOM 0 HD2 LYS A 103 -0.404 5.592 -10.678 1.00 64.44 H new ATOM 0 HD3 LYS A 103 -1.835 6.325 -11.375 1.00 64.44 H new ATOM 0 HE2 LYS A 103 -0.596 8.559 -11.332 1.00 1.53 H new ATOM 0 HE3 LYS A 103 0.844 7.678 -10.862 1.00 1.53 H new ATOM 0 HZ1 LYS A 103 0.604 8.104 -13.292 1.00 11.14 H new ATOM 0 HZ2 LYS A 103 0.828 6.470 -12.889 1.00 11.14 H new ATOM 0 HZ3 LYS A 103 -0.716 7.036 -13.309 1.00 11.14 H new ATOM 1607 N ASN A 104 -3.508 8.643 -6.782 1.00 21.15 N ATOM 1608 CA ASN A 104 -4.107 9.976 -6.942 1.00 60.54 C ATOM 1609 C ASN A 104 -5.635 9.901 -7.025 1.00 74.32 C ATOM 1610 O ASN A 104 -6.278 10.661 -7.751 1.00 33.23 O ATOM 1611 CB ASN A 104 -3.512 10.671 -8.183 1.00 31.10 C ATOM 1612 CG ASN A 104 -3.858 12.152 -8.260 1.00 32.53 C ATOM 1613 OD1 ASN A 104 -3.204 12.985 -7.625 1.00 42.04 O ATOM 1614 ND2 ASN A 104 -4.864 12.497 -9.052 1.00 45.44 N ATOM 0 H ASN A 104 -2.872 8.570 -5.988 1.00 21.15 H new ATOM 0 HA ASN A 104 -3.867 10.570 -6.060 1.00 60.54 H new ATOM 0 HB2 ASN A 104 -2.428 10.557 -8.171 1.00 31.10 H new ATOM 0 HB3 ASN A 104 -3.875 10.172 -9.081 1.00 31.10 H new ATOM 0 HD21 ASN A 104 -5.120 13.479 -9.152 1.00 45.44 H new ATOM 0 HD22 ASN A 104 -5.381 11.780 -9.561 1.00 45.44 H new ATOM 1621 N GLY A 105 -6.209 8.980 -6.263 1.00 63.13 N ATOM 1622 CA GLY A 105 -7.655 8.833 -6.215 1.00 32.23 C ATOM 1623 C GLY A 105 -8.179 7.873 -7.264 1.00 22.53 C ATOM 1624 O GLY A 105 -9.313 7.402 -7.169 1.00 31.04 O ATOM 0 H GLY A 105 -5.696 8.326 -5.672 1.00 63.13 H new ATOM 0 HA2 GLY A 105 -7.948 8.480 -5.226 1.00 32.23 H new ATOM 0 HA3 GLY A 105 -8.120 9.809 -6.356 1.00 32.23 H new ATOM 1628 N LYS A 106 -7.356 7.578 -8.264 1.00 34.33 N ATOM 1629 CA LYS A 106 -7.715 6.614 -9.292 1.00 31.30 C ATOM 1630 C LYS A 106 -7.453 5.206 -8.777 1.00 73.12 C ATOM 1631 O LYS A 106 -6.492 4.981 -8.015 1.00 71.31 O ATOM 1632 CB LYS A 106 -6.911 6.855 -10.581 1.00 1.45 C ATOM 1633 CG LYS A 106 -7.472 6.111 -11.794 1.00 42.32 C ATOM 1634 CD LYS A 106 -6.516 6.133 -12.989 1.00 54.32 C ATOM 1635 CE LYS A 106 -5.331 5.188 -12.795 1.00 44.52 C ATOM 1636 NZ LYS A 106 -5.761 3.762 -12.729 1.00 62.32 N ATOM 0 H LYS A 106 -6.433 7.995 -8.383 1.00 34.33 H new ATOM 0 HA LYS A 106 -8.773 6.733 -9.525 1.00 31.30 H new ATOM 0 HB2 LYS A 106 -6.894 7.924 -10.795 1.00 1.45 H new ATOM 0 HB3 LYS A 106 -5.878 6.546 -10.420 1.00 1.45 H new ATOM 0 HG2 LYS A 106 -7.680 5.077 -11.518 1.00 42.32 H new ATOM 0 HG3 LYS A 106 -8.422 6.560 -12.084 1.00 42.32 H new ATOM 0 HD2 LYS A 106 -7.059 5.853 -13.892 1.00 54.32 H new ATOM 0 HD3 LYS A 106 -6.149 7.148 -13.140 1.00 54.32 H new ATOM 0 HE2 LYS A 106 -4.626 5.317 -13.616 1.00 44.52 H new ATOM 0 HE3 LYS A 106 -4.804 5.451 -11.878 1.00 44.52 H new ATOM 0 HZ1 LYS A 106 -5.141 3.184 -13.332 1.00 62.32 H new ATOM 0 HZ2 LYS A 106 -5.699 3.426 -11.747 1.00 62.32 H new ATOM 0 HZ3 LYS A 106 -6.743 3.680 -13.062 1.00 62.32 H new ATOM 1650 N LYS A 107 -8.305 4.267 -9.184 1.00 5.52 N ATOM 1651 CA LYS A 107 -8.149 2.874 -8.799 1.00 51.12 C ATOM 1652 C LYS A 107 -6.833 2.312 -9.321 1.00 10.42 C ATOM 1653 O LYS A 107 -6.234 2.840 -10.263 1.00 42.32 O ATOM 1654 CB LYS A 107 -9.336 2.021 -9.277 1.00 23.30 C ATOM 1655 CG LYS A 107 -10.635 2.280 -8.514 1.00 25.35 C ATOM 1656 CD LYS A 107 -10.505 1.964 -7.021 1.00 22.15 C ATOM 1657 CE LYS A 107 -10.175 0.493 -6.764 1.00 43.23 C ATOM 1658 NZ LYS A 107 -11.262 -0.415 -7.220 1.00 43.33 N ATOM 0 H LYS A 107 -9.111 4.451 -9.782 1.00 5.52 H new ATOM 0 HA LYS A 107 -8.131 2.833 -7.710 1.00 51.12 H new ATOM 0 HB2 LYS A 107 -9.505 2.213 -10.337 1.00 23.30 H new ATOM 0 HB3 LYS A 107 -9.075 0.967 -9.182 1.00 23.30 H new ATOM 0 HG2 LYS A 107 -10.925 3.323 -8.638 1.00 25.35 H new ATOM 0 HG3 LYS A 107 -11.433 1.674 -8.943 1.00 25.35 H new ATOM 0 HD2 LYS A 107 -9.726 2.590 -6.586 1.00 22.15 H new ATOM 0 HD3 LYS A 107 -11.437 2.218 -6.516 1.00 22.15 H new ATOM 0 HE2 LYS A 107 -9.249 0.235 -7.278 1.00 43.23 H new ATOM 0 HE3 LYS A 107 -10.001 0.342 -5.699 1.00 43.23 H new ATOM 0 HZ1 LYS A 107 -11.050 -1.388 -6.920 1.00 43.33 H new ATOM 0 HZ2 LYS A 107 -12.165 -0.113 -6.802 1.00 43.33 H new ATOM 0 HZ3 LYS A 107 -11.332 -0.380 -8.257 1.00 43.33 H new ATOM 1672 N LEU A 108 -6.420 1.225 -8.704 1.00 43.13 N ATOM 1673 CA LEU A 108 -5.093 0.660 -8.866 1.00 40.31 C ATOM 1674 C LEU A 108 -5.148 -0.783 -8.368 1.00 74.45 C ATOM 1675 O LEU A 108 -6.137 -1.185 -7.752 1.00 31.42 O ATOM 1676 CB LEU A 108 -4.036 1.498 -8.112 1.00 72.22 C ATOM 1677 CG LEU A 108 -2.797 1.955 -8.920 1.00 34.33 C ATOM 1678 CD1 LEU A 108 -1.916 0.775 -9.315 1.00 34.15 C ATOM 1679 CD2 LEU A 108 -3.215 2.754 -10.155 1.00 21.21 C ATOM 0 H LEU A 108 -7.009 0.696 -8.061 1.00 43.13 H new ATOM 0 HA LEU A 108 -4.792 0.675 -9.913 1.00 40.31 H new ATOM 0 HB2 LEU A 108 -4.528 2.386 -7.714 1.00 72.22 H new ATOM 0 HB3 LEU A 108 -3.688 0.917 -7.258 1.00 72.22 H new ATOM 0 HG LEU A 108 -2.208 2.605 -8.273 1.00 34.33 H new ATOM 0 HD11 LEU A 108 -1.057 1.136 -9.881 1.00 34.15 H new ATOM 0 HD12 LEU A 108 -1.570 0.262 -8.417 1.00 34.15 H new ATOM 0 HD13 LEU A 108 -2.490 0.082 -9.930 1.00 34.15 H new ATOM 0 HD21 LEU A 108 -2.327 3.064 -10.706 1.00 21.21 H new ATOM 0 HD22 LEU A 108 -3.841 2.133 -10.796 1.00 21.21 H new ATOM 0 HD23 LEU A 108 -3.776 3.636 -9.845 1.00 21.21 H new ATOM 1691 N SER A 109 -4.122 -1.556 -8.660 1.00 0.12 N ATOM 1692 CA SER A 109 -4.165 -3.001 -8.523 1.00 34.14 C ATOM 1693 C SER A 109 -4.180 -3.456 -7.059 1.00 4.42 C ATOM 1694 O SER A 109 -4.168 -2.649 -6.123 1.00 15.05 O ATOM 1695 CB SER A 109 -2.918 -3.567 -9.207 1.00 31.14 C ATOM 1696 OG SER A 109 -2.934 -3.311 -10.603 1.00 11.21 O ATOM 0 H SER A 109 -3.229 -1.199 -9.001 1.00 0.12 H new ATOM 0 HA SER A 109 -5.086 -3.364 -8.980 1.00 34.14 H new ATOM 0 HB2 SER A 109 -2.026 -3.125 -8.764 1.00 31.14 H new ATOM 0 HB3 SER A 109 -2.861 -4.641 -9.033 1.00 31.14 H new ATOM 0 HG SER A 109 -2.063 -2.959 -10.881 1.00 11.21 H new ATOM 1702 N GLN A 110 -4.255 -4.768 -6.884 1.00 42.45 N ATOM 1703 CA GLN A 110 -4.249 -5.388 -5.569 1.00 50.44 C ATOM 1704 C GLN A 110 -3.418 -6.662 -5.628 1.00 45.35 C ATOM 1705 O GLN A 110 -3.741 -7.586 -6.377 1.00 73.15 O ATOM 1706 CB GLN A 110 -5.688 -5.702 -5.126 1.00 10.52 C ATOM 1707 CG GLN A 110 -5.792 -6.406 -3.775 1.00 1.23 C ATOM 1708 CD GLN A 110 -7.231 -6.677 -3.366 1.00 31.23 C ATOM 1709 OE1 GLN A 110 -8.144 -5.932 -3.723 1.00 2.12 O ATOM 1710 NE2 GLN A 110 -7.444 -7.744 -2.609 1.00 22.24 N ATOM 0 H GLN A 110 -4.322 -5.434 -7.654 1.00 42.45 H new ATOM 0 HA GLN A 110 -3.811 -4.705 -4.841 1.00 50.44 H new ATOM 0 HB2 GLN A 110 -6.253 -4.771 -5.081 1.00 10.52 H new ATOM 0 HB3 GLN A 110 -6.161 -6.326 -5.885 1.00 10.52 H new ATOM 0 HG2 GLN A 110 -5.247 -7.349 -3.818 1.00 1.23 H new ATOM 0 HG3 GLN A 110 -5.311 -5.794 -3.012 1.00 1.23 H new ATOM 0 HE21 GLN A 110 -6.662 -8.338 -2.333 1.00 22.24 H new ATOM 0 HE22 GLN A 110 -8.390 -7.971 -2.302 1.00 22.24 H new ATOM 1719 N VAL A 111 -2.347 -6.700 -4.849 1.00 32.23 N ATOM 1720 CA VAL A 111 -1.441 -7.838 -4.855 1.00 75.20 C ATOM 1721 C VAL A 111 -1.834 -8.824 -3.760 1.00 75.23 C ATOM 1722 O VAL A 111 -1.660 -8.557 -2.567 1.00 73.10 O ATOM 1723 CB VAL A 111 0.033 -7.385 -4.666 1.00 3.05 C ATOM 1724 CG1 VAL A 111 0.998 -8.569 -4.777 1.00 14.32 C ATOM 1725 CG2 VAL A 111 0.392 -6.292 -5.676 1.00 71.23 C ATOM 0 H VAL A 111 -2.084 -5.955 -4.204 1.00 32.23 H new ATOM 0 HA VAL A 111 -1.519 -8.329 -5.825 1.00 75.20 H new ATOM 0 HB VAL A 111 0.132 -6.973 -3.662 1.00 3.05 H new ATOM 0 HG11 VAL A 111 2.021 -8.219 -4.640 1.00 14.32 H new ATOM 0 HG12 VAL A 111 0.761 -9.305 -4.009 1.00 14.32 H new ATOM 0 HG13 VAL A 111 0.900 -9.027 -5.761 1.00 14.32 H new ATOM 0 HG21 VAL A 111 1.428 -5.987 -5.529 1.00 71.23 H new ATOM 0 HG22 VAL A 111 0.267 -6.677 -6.688 1.00 71.23 H new ATOM 0 HG23 VAL A 111 -0.263 -5.433 -5.531 1.00 71.23 H new ATOM 1735 N ILE A 112 -2.402 -9.948 -4.177 1.00 11.10 N ATOM 1736 CA ILE A 112 -2.775 -11.016 -3.263 1.00 4.32 C ATOM 1737 C ILE A 112 -1.632 -12.020 -3.161 1.00 74.14 C ATOM 1738 O ILE A 112 -1.366 -12.772 -4.103 1.00 31.12 O ATOM 1739 CB ILE A 112 -4.066 -11.727 -3.740 1.00 32.34 C ATOM 1740 CG1 ILE A 112 -5.198 -10.700 -3.924 1.00 2.20 C ATOM 1741 CG2 ILE A 112 -4.481 -12.823 -2.752 1.00 34.03 C ATOM 1742 CD1 ILE A 112 -6.436 -11.268 -4.581 1.00 23.35 C ATOM 0 H ILE A 112 -2.616 -10.143 -5.155 1.00 11.10 H new ATOM 0 HA ILE A 112 -2.970 -10.584 -2.282 1.00 4.32 H new ATOM 0 HB ILE A 112 -3.867 -12.201 -4.701 1.00 32.34 H new ATOM 0 HG12 ILE A 112 -5.469 -10.293 -2.950 1.00 2.20 H new ATOM 0 HG13 ILE A 112 -4.828 -9.869 -4.524 1.00 2.20 H new ATOM 0 HG21 ILE A 112 -5.390 -13.308 -3.108 1.00 34.03 H new ATOM 0 HG22 ILE A 112 -3.683 -13.561 -2.671 1.00 34.03 H new ATOM 0 HG23 ILE A 112 -4.666 -12.380 -1.773 1.00 34.03 H new ATOM 0 HD11 ILE A 112 -7.189 -10.486 -4.677 1.00 23.35 H new ATOM 0 HD12 ILE A 112 -6.181 -11.649 -5.570 1.00 23.35 H new ATOM 0 HD13 ILE A 112 -6.832 -12.080 -3.971 1.00 23.35 H new ATOM 1754 N GLY A 113 -0.949 -12.005 -2.026 1.00 33.34 N ATOM 1755 CA GLY A 113 0.222 -12.841 -1.839 1.00 12.44 C ATOM 1756 C GLY A 113 1.488 -12.014 -1.773 1.00 23.50 C ATOM 1757 O GLY A 113 1.520 -10.874 -2.244 1.00 52.52 O ATOM 0 H GLY A 113 -1.187 -11.423 -1.223 1.00 33.34 H new ATOM 0 HA2 GLY A 113 0.115 -13.419 -0.921 1.00 12.44 H new ATOM 0 HA3 GLY A 113 0.295 -13.556 -2.659 1.00 12.44 H new ATOM 1761 N ALA A 114 2.529 -12.577 -1.182 1.00 42.44 N ATOM 1762 CA ALA A 114 3.792 -11.875 -1.026 1.00 63.40 C ATOM 1763 C ALA A 114 4.621 -11.957 -2.306 1.00 22.23 C ATOM 1764 O ALA A 114 5.530 -12.783 -2.416 1.00 64.11 O ATOM 1765 CB ALA A 114 4.564 -12.437 0.162 1.00 23.34 C ATOM 0 H ALA A 114 2.524 -13.523 -0.801 1.00 42.44 H new ATOM 0 HA ALA A 114 3.582 -10.823 -0.833 1.00 63.40 H new ATOM 0 HB1 ALA A 114 5.508 -11.903 0.268 1.00 23.34 H new ATOM 0 HB2 ALA A 114 3.974 -12.315 1.070 1.00 23.34 H new ATOM 0 HB3 ALA A 114 4.763 -13.496 -0.002 1.00 23.34 H new ATOM 1771 N ASP A 115 4.271 -11.133 -3.289 1.00 35.33 N ATOM 1772 CA ASP A 115 5.016 -11.069 -4.548 1.00 43.32 C ATOM 1773 C ASP A 115 5.624 -9.684 -4.725 1.00 12.23 C ATOM 1774 O ASP A 115 5.076 -8.832 -5.435 1.00 21.40 O ATOM 1775 CB ASP A 115 4.116 -11.408 -5.748 1.00 70.42 C ATOM 1776 CG ASP A 115 3.474 -12.779 -5.628 1.00 41.53 C ATOM 1777 OD1 ASP A 115 4.146 -13.794 -5.924 1.00 21.34 O ATOM 1778 OD2 ASP A 115 2.294 -12.855 -5.231 1.00 32.51 O ATOM 0 H ASP A 115 3.475 -10.498 -3.240 1.00 35.33 H new ATOM 0 HA ASP A 115 5.814 -11.810 -4.506 1.00 43.32 H new ATOM 0 HB2 ASP A 115 3.336 -10.652 -5.837 1.00 70.42 H new ATOM 0 HB3 ASP A 115 4.706 -11.366 -6.663 1.00 70.42 H new ATOM 1783 N ILE A 116 6.759 -9.462 -4.067 1.00 4.11 N ATOM 1784 CA ILE A 116 7.429 -8.166 -4.089 1.00 31.20 C ATOM 1785 C ILE A 116 7.781 -7.788 -5.532 1.00 45.30 C ATOM 1786 O ILE A 116 7.753 -6.615 -5.903 1.00 12.40 O ATOM 1787 CB ILE A 116 8.705 -8.187 -3.186 1.00 72.43 C ATOM 1788 CG1 ILE A 116 8.975 -6.803 -2.548 1.00 13.12 C ATOM 1789 CG2 ILE A 116 9.932 -8.678 -3.959 1.00 43.53 C ATOM 1790 CD1 ILE A 116 9.389 -5.712 -3.514 1.00 31.11 C ATOM 0 H ILE A 116 7.236 -10.169 -3.508 1.00 4.11 H new ATOM 0 HA ILE A 116 6.753 -7.411 -3.687 1.00 31.20 H new ATOM 0 HB ILE A 116 8.513 -8.894 -2.379 1.00 72.43 H new ATOM 0 HG12 ILE A 116 8.074 -6.480 -2.026 1.00 13.12 H new ATOM 0 HG13 ILE A 116 9.756 -6.915 -1.796 1.00 13.12 H new ATOM 0 HG21 ILE A 116 10.800 -8.680 -3.300 1.00 43.53 H new ATOM 0 HG22 ILE A 116 9.752 -9.689 -4.324 1.00 43.53 H new ATOM 0 HG23 ILE A 116 10.119 -8.015 -4.804 1.00 43.53 H new ATOM 0 HD11 ILE A 116 9.554 -4.784 -2.966 1.00 31.11 H new ATOM 0 HD12 ILE A 116 10.310 -6.003 -4.019 1.00 31.11 H new ATOM 0 HD13 ILE A 116 8.602 -5.562 -4.253 1.00 31.11 H new ATOM 1802 N SER A 117 8.066 -8.801 -6.345 1.00 24.33 N ATOM 1803 CA SER A 117 8.383 -8.603 -7.752 1.00 14.52 C ATOM 1804 C SER A 117 7.227 -7.894 -8.465 1.00 41.04 C ATOM 1805 O SER A 117 7.424 -6.883 -9.148 1.00 2.41 O ATOM 1806 CB SER A 117 8.670 -9.957 -8.409 1.00 1.40 C ATOM 1807 OG SER A 117 9.589 -10.715 -7.633 1.00 1.31 O ATOM 0 H SER A 117 8.083 -9.776 -6.047 1.00 24.33 H new ATOM 0 HA SER A 117 9.269 -7.974 -7.834 1.00 14.52 H new ATOM 0 HB2 SER A 117 7.740 -10.514 -8.524 1.00 1.40 H new ATOM 0 HB3 SER A 117 9.075 -9.802 -9.409 1.00 1.40 H new ATOM 0 HG SER A 117 9.755 -11.576 -8.071 1.00 1.31 H new ATOM 1813 N LYS A 118 6.012 -8.413 -8.278 1.00 43.54 N ATOM 1814 CA LYS A 118 4.835 -7.837 -8.916 1.00 14.05 C ATOM 1815 C LYS A 118 4.515 -6.473 -8.306 1.00 25.10 C ATOM 1816 O LYS A 118 4.085 -5.557 -9.009 1.00 75.25 O ATOM 1817 CB LYS A 118 3.627 -8.780 -8.794 1.00 33.31 C ATOM 1818 CG LYS A 118 2.394 -8.300 -9.561 1.00 53.14 C ATOM 1819 CD LYS A 118 2.697 -8.102 -11.046 1.00 21.33 C ATOM 1820 CE LYS A 118 1.483 -7.607 -11.822 1.00 41.52 C ATOM 1821 NZ LYS A 118 0.368 -8.589 -11.803 1.00 22.22 N ATOM 0 H LYS A 118 5.821 -9.226 -7.693 1.00 43.54 H new ATOM 0 HA LYS A 118 5.052 -7.703 -9.976 1.00 14.05 H new ATOM 0 HB2 LYS A 118 3.910 -9.767 -9.159 1.00 33.31 H new ATOM 0 HB3 LYS A 118 3.369 -8.891 -7.741 1.00 33.31 H new ATOM 0 HG2 LYS A 118 1.589 -9.026 -9.447 1.00 53.14 H new ATOM 0 HG3 LYS A 118 2.041 -7.362 -9.133 1.00 53.14 H new ATOM 0 HD2 LYS A 118 3.512 -7.387 -11.156 1.00 21.33 H new ATOM 0 HD3 LYS A 118 3.039 -9.044 -11.474 1.00 21.33 H new ATOM 0 HE2 LYS A 118 1.142 -6.663 -11.396 1.00 41.52 H new ATOM 0 HE3 LYS A 118 1.770 -7.406 -12.854 1.00 41.52 H new ATOM 0 HZ1 LYS A 118 -0.382 -8.275 -12.451 1.00 22.22 H new ATOM 0 HZ2 LYS A 118 0.720 -9.520 -12.106 1.00 22.22 H new ATOM 0 HZ3 LYS A 118 -0.015 -8.661 -10.839 1.00 22.22 H new ATOM 1835 N ILE A 119 4.743 -6.345 -6.998 1.00 10.01 N ATOM 1836 CA ILE A 119 4.523 -5.077 -6.300 1.00 72.04 C ATOM 1837 C ILE A 119 5.372 -3.969 -6.922 1.00 10.51 C ATOM 1838 O ILE A 119 4.848 -2.945 -7.374 1.00 20.14 O ATOM 1839 CB ILE A 119 4.857 -5.192 -4.785 1.00 43.53 C ATOM 1840 CG1 ILE A 119 3.925 -6.208 -4.103 1.00 50.33 C ATOM 1841 CG2 ILE A 119 4.759 -3.829 -4.099 1.00 54.35 C ATOM 1842 CD1 ILE A 119 4.217 -6.422 -2.631 1.00 61.34 C ATOM 0 H ILE A 119 5.079 -7.101 -6.402 1.00 10.01 H new ATOM 0 HA ILE A 119 3.466 -4.830 -6.403 1.00 72.04 H new ATOM 0 HB ILE A 119 5.884 -5.546 -4.690 1.00 43.53 H new ATOM 0 HG12 ILE A 119 2.894 -5.871 -4.213 1.00 50.33 H new ATOM 0 HG13 ILE A 119 4.005 -7.164 -4.621 1.00 50.33 H new ATOM 0 HG21 ILE A 119 4.997 -3.936 -3.041 1.00 54.35 H new ATOM 0 HG22 ILE A 119 5.464 -3.138 -4.561 1.00 54.35 H new ATOM 0 HG23 ILE A 119 3.746 -3.440 -4.205 1.00 54.35 H new ATOM 0 HD11 ILE A 119 3.517 -7.152 -2.224 1.00 61.34 H new ATOM 0 HD12 ILE A 119 5.236 -6.791 -2.512 1.00 61.34 H new ATOM 0 HD13 ILE A 119 4.108 -5.478 -2.097 1.00 61.34 H new ATOM 1854 N ILE A 120 6.685 -4.193 -6.971 1.00 61.52 N ATOM 1855 CA ILE A 120 7.611 -3.203 -7.523 1.00 45.24 C ATOM 1856 C ILE A 120 7.337 -2.991 -9.010 1.00 74.05 C ATOM 1857 O ILE A 120 7.466 -1.876 -9.524 1.00 12.40 O ATOM 1858 CB ILE A 120 9.101 -3.596 -7.305 1.00 13.24 C ATOM 1859 CG1 ILE A 120 10.036 -2.460 -7.769 1.00 12.02 C ATOM 1860 CG2 ILE A 120 9.440 -4.901 -8.023 1.00 71.22 C ATOM 1861 CD1 ILE A 120 11.511 -2.755 -7.573 1.00 53.41 C ATOM 0 H ILE A 120 7.131 -5.047 -6.637 1.00 61.52 H new ATOM 0 HA ILE A 120 7.440 -2.271 -6.984 1.00 45.24 H new ATOM 0 HB ILE A 120 9.253 -3.754 -6.237 1.00 13.24 H new ATOM 0 HG12 ILE A 120 9.853 -2.261 -8.825 1.00 12.02 H new ATOM 0 HG13 ILE A 120 9.783 -1.550 -7.225 1.00 12.02 H new ATOM 0 HG21 ILE A 120 10.488 -5.149 -7.852 1.00 71.22 H new ATOM 0 HG22 ILE A 120 8.810 -5.703 -7.638 1.00 71.22 H new ATOM 0 HG23 ILE A 120 9.265 -4.784 -9.092 1.00 71.22 H new ATOM 0 HD11 ILE A 120 12.101 -1.908 -7.924 1.00 53.41 H new ATOM 0 HD12 ILE A 120 11.711 -2.923 -6.515 1.00 53.41 H new ATOM 0 HD13 ILE A 120 11.782 -3.646 -8.140 1.00 53.41 H new ATOM 1873 N SER A 121 6.943 -4.067 -9.695 1.00 72.15 N ATOM 1874 CA SER A 121 6.558 -3.987 -11.098 1.00 23.41 C ATOM 1875 C SER A 121 5.422 -2.979 -11.266 1.00 3.21 C ATOM 1876 O SER A 121 5.493 -2.088 -12.111 1.00 24.14 O ATOM 1877 CB SER A 121 6.131 -5.368 -11.616 1.00 32.53 C ATOM 1878 OG SER A 121 5.854 -5.345 -13.011 1.00 15.33 O ATOM 0 H SER A 121 6.884 -5.004 -9.296 1.00 72.15 H new ATOM 0 HA SER A 121 7.416 -3.653 -11.682 1.00 23.41 H new ATOM 0 HB2 SER A 121 6.920 -6.092 -11.414 1.00 32.53 H new ATOM 0 HB3 SER A 121 5.246 -5.702 -11.075 1.00 32.53 H new ATOM 0 HG SER A 121 5.587 -6.240 -13.306 1.00 15.33 H new ATOM 1884 N GLU A 122 4.384 -3.113 -10.445 1.00 45.04 N ATOM 1885 CA GLU A 122 3.260 -2.183 -10.474 1.00 33.53 C ATOM 1886 C GLU A 122 3.723 -0.769 -10.119 1.00 25.22 C ATOM 1887 O GLU A 122 3.263 0.206 -10.716 1.00 41.22 O ATOM 1888 CB GLU A 122 2.150 -2.636 -9.513 1.00 22.13 C ATOM 1889 CG GLU A 122 1.282 -3.771 -10.047 1.00 63.23 C ATOM 1890 CD GLU A 122 0.468 -3.364 -11.271 1.00 41.02 C ATOM 1891 OE1 GLU A 122 -0.225 -2.324 -11.218 1.00 25.13 O ATOM 1892 OE2 GLU A 122 0.496 -4.092 -12.284 1.00 24.10 O ATOM 0 H GLU A 122 4.298 -3.856 -9.752 1.00 45.04 H new ATOM 0 HA GLU A 122 2.856 -2.174 -11.486 1.00 33.53 H new ATOM 0 HB2 GLU A 122 2.605 -2.953 -8.575 1.00 22.13 H new ATOM 0 HB3 GLU A 122 1.512 -1.782 -9.286 1.00 22.13 H new ATOM 0 HG2 GLU A 122 1.917 -4.619 -10.304 1.00 63.23 H new ATOM 0 HG3 GLU A 122 0.605 -4.106 -9.261 1.00 63.23 H new ATOM 1899 N ILE A 123 4.644 -0.659 -9.163 1.00 64.23 N ATOM 1900 CA ILE A 123 5.149 0.648 -8.737 1.00 41.12 C ATOM 1901 C ILE A 123 5.751 1.414 -9.919 1.00 35.33 C ATOM 1902 O ILE A 123 5.299 2.513 -10.253 1.00 45.43 O ATOM 1903 CB ILE A 123 6.208 0.521 -7.607 1.00 22.12 C ATOM 1904 CG1 ILE A 123 5.562 -0.032 -6.325 1.00 61.45 C ATOM 1905 CG2 ILE A 123 6.883 1.868 -7.334 1.00 21.42 C ATOM 1906 CD1 ILE A 123 6.523 -0.168 -5.159 1.00 43.10 C ATOM 0 H ILE A 123 5.054 -1.453 -8.671 1.00 64.23 H new ATOM 0 HA ILE A 123 4.296 1.202 -8.345 1.00 41.12 H new ATOM 0 HB ILE A 123 6.976 -0.179 -7.938 1.00 22.12 H new ATOM 0 HG12 ILE A 123 4.742 0.623 -6.032 1.00 61.45 H new ATOM 0 HG13 ILE A 123 5.128 -1.008 -6.541 1.00 61.45 H new ATOM 0 HG21 ILE A 123 7.620 1.751 -6.539 1.00 21.42 H new ATOM 0 HG22 ILE A 123 7.379 2.217 -8.240 1.00 21.42 H new ATOM 0 HG23 ILE A 123 6.132 2.596 -7.028 1.00 21.42 H new ATOM 0 HD11 ILE A 123 5.991 -0.564 -4.294 1.00 43.10 H new ATOM 0 HD12 ILE A 123 7.331 -0.847 -5.431 1.00 43.10 H new ATOM 0 HD13 ILE A 123 6.938 0.810 -4.914 1.00 43.10 H new ATOM 1918 N ASN A 124 6.727 0.806 -10.587 1.00 32.14 N ATOM 1919 CA ASN A 124 7.395 1.455 -11.719 1.00 64.45 C ATOM 1920 C ASN A 124 6.460 1.526 -12.928 1.00 24.03 C ATOM 1921 O ASN A 124 6.608 2.395 -13.789 1.00 2.03 O ATOM 1922 CB ASN A 124 8.720 0.742 -12.068 1.00 51.13 C ATOM 1923 CG ASN A 124 8.560 -0.702 -12.531 1.00 54.14 C ATOM 1924 OD1 ASN A 124 7.597 -1.058 -13.205 1.00 73.00 O ATOM 1925 ND2 ASN A 124 9.511 -1.549 -12.165 1.00 74.20 N ATOM 0 H ASN A 124 7.074 -0.128 -10.369 1.00 32.14 H new ATOM 0 HA ASN A 124 7.644 2.476 -11.429 1.00 64.45 H new ATOM 0 HB2 ASN A 124 9.226 1.307 -12.851 1.00 51.13 H new ATOM 0 HB3 ASN A 124 9.369 0.759 -11.192 1.00 51.13 H new ATOM 0 HD21 ASN A 124 9.456 -2.529 -12.443 1.00 74.20 H new ATOM 0 HD22 ASN A 124 10.298 -1.221 -11.605 1.00 74.20 H new ATOM 1932 N ASN A 125 5.498 0.610 -12.979 1.00 52.11 N ATOM 1933 CA ASN A 125 4.494 0.589 -14.041 1.00 42.12 C ATOM 1934 C ASN A 125 3.582 1.812 -13.961 1.00 73.15 C ATOM 1935 O ASN A 125 3.284 2.444 -14.973 1.00 11.13 O ATOM 1936 CB ASN A 125 3.648 -0.688 -13.944 1.00 52.44 C ATOM 1937 CG ASN A 125 2.519 -0.738 -14.962 1.00 33.30 C ATOM 1938 OD1 ASN A 125 2.701 -1.208 -16.085 1.00 72.03 O ATOM 1939 ND2 ASN A 125 1.343 -0.265 -14.575 1.00 54.23 N ATOM 0 H ASN A 125 5.391 -0.135 -12.291 1.00 52.11 H new ATOM 0 HA ASN A 125 5.018 0.608 -14.997 1.00 42.12 H new ATOM 0 HB2 ASN A 125 4.293 -1.555 -14.084 1.00 52.44 H new ATOM 0 HB3 ASN A 125 3.228 -0.762 -12.941 1.00 52.44 H new ATOM 0 HD21 ASN A 125 0.550 -0.283 -15.216 1.00 54.23 H new ATOM 0 HD22 ASN A 125 1.231 0.117 -13.636 1.00 54.23 H new ATOM 1946 N ASN A 126 3.147 2.143 -12.749 1.00 1.04 N ATOM 1947 CA ASN A 126 2.165 3.208 -12.550 1.00 41.42 C ATOM 1948 C ASN A 126 2.830 4.555 -12.281 1.00 34.34 C ATOM 1949 O ASN A 126 2.183 5.597 -12.401 1.00 53.14 O ATOM 1950 CB ASN A 126 1.194 2.846 -11.418 1.00 32.21 C ATOM 1951 CG ASN A 126 0.243 1.722 -11.811 1.00 1.24 C ATOM 1952 OD1 ASN A 126 -0.823 1.967 -12.377 1.00 10.30 O ATOM 1953 ND2 ASN A 126 0.615 0.485 -11.513 1.00 73.20 N ATOM 0 H ASN A 126 3.458 1.690 -11.889 1.00 1.04 H new ATOM 0 HA ASN A 126 1.599 3.305 -13.477 1.00 41.42 H new ATOM 0 HB2 ASN A 126 1.762 2.548 -10.537 1.00 32.21 H new ATOM 0 HB3 ASN A 126 0.616 3.728 -11.141 1.00 32.21 H new ATOM 0 HD21 ASN A 126 0.011 -0.301 -11.753 1.00 73.20 H new ATOM 0 HD22 ASN A 126 1.505 0.319 -11.044 1.00 73.20 H new ATOM 1960 N ILE A 127 4.106 4.546 -11.898 1.00 0.11 N ATOM 1961 CA ILE A 127 4.857 5.796 -11.767 1.00 25.32 C ATOM 1962 C ILE A 127 5.260 6.312 -13.147 1.00 51.14 C ATOM 1963 O ILE A 127 4.977 7.461 -13.503 1.00 73.24 O ATOM 1964 CB ILE A 127 6.122 5.640 -10.879 1.00 2.22 C ATOM 1965 CG1 ILE A 127 5.723 5.394 -9.416 1.00 74.31 C ATOM 1966 CG2 ILE A 127 7.026 6.873 -10.987 1.00 11.11 C ATOM 1967 CD1 ILE A 127 6.906 5.230 -8.485 1.00 4.04 C ATOM 0 H ILE A 127 4.635 3.703 -11.676 1.00 0.11 H new ATOM 0 HA ILE A 127 4.199 6.513 -11.277 1.00 25.32 H new ATOM 0 HB ILE A 127 6.683 4.777 -11.238 1.00 2.22 H new ATOM 0 HG12 ILE A 127 5.111 6.227 -9.070 1.00 74.31 H new ATOM 0 HG13 ILE A 127 5.102 4.499 -9.363 1.00 74.31 H new ATOM 0 HG21 ILE A 127 7.904 6.737 -10.355 1.00 11.11 H new ATOM 0 HG22 ILE A 127 7.341 7.004 -12.022 1.00 11.11 H new ATOM 0 HG23 ILE A 127 6.477 7.756 -10.660 1.00 11.11 H new ATOM 0 HD11 ILE A 127 6.549 5.060 -7.469 1.00 4.04 H new ATOM 0 HD12 ILE A 127 7.506 4.379 -8.806 1.00 4.04 H new ATOM 0 HD13 ILE A 127 7.515 6.133 -8.509 1.00 4.04 H new ATOM 1979 N ASN A 128 5.911 5.451 -13.927 1.00 35.41 N ATOM 1980 CA ASN A 128 6.381 5.820 -15.260 1.00 5.10 C ATOM 1981 C ASN A 128 5.743 4.921 -16.317 1.00 4.33 C ATOM 1982 O ASN A 128 4.714 5.329 -16.903 1.00 25.14 O ATOM 1983 CB ASN A 128 7.918 5.741 -15.343 1.00 75.42 C ATOM 1984 CG ASN A 128 8.625 6.759 -14.456 1.00 74.15 C ATOM 1985 OD1 ASN A 128 9.737 6.519 -13.986 1.00 0.32 O ATOM 1986 ND2 ASN A 128 7.989 7.898 -14.217 1.00 25.35 N ATOM 1987 OXT ASN A 128 6.262 3.812 -16.557 1.00 0.00 O ATOM 0 H ASN A 128 6.125 4.491 -13.658 1.00 35.41 H new ATOM 0 HA ASN A 128 6.083 6.851 -15.452 1.00 5.10 H new ATOM 0 HB2 ASN A 128 8.239 4.739 -15.060 1.00 75.42 H new ATOM 0 HB3 ASN A 128 8.227 5.894 -16.377 1.00 75.42 H new ATOM 0 HD21 ASN A 128 8.421 8.609 -13.627 1.00 25.35 H new ATOM 0 HD22 ASN A 128 7.068 8.063 -14.623 1.00 25.35 H new