USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 827 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 Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= 1.61 (180deg=0.86) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 9:sc= -0.534 USER MOD Single : A 26 THR OG1 : rot -15:sc= 1.09 USER MOD Single : A 27 GLN : amide:sc= -0.0286 X(o=-0.029,f=-0.066) USER MOD Single : A 30 ASN : amide:sc= -0.872 K(o=-0.87,f=-1.4) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.98! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 70:sc= 0.628 USER MOD Single : A 38 SER OG : rot -64:sc= -0.0885 USER MOD Single : A 39 ASN : amide:sc= -0.39 K(o=-0.39,f=-6.5!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -1:sc= -1.17 USER MOD Single : A 64 THR OG1 : rot 16:sc= 0.618 USER MOD Single : A 66 THR OG1 : rot 111:sc= 1.26 USER MOD Single : A 68 THR OG1 : rot 56:sc= 1.12 USER MOD Single : A 69 MET CE :methyl -170:sc= -0.164 (180deg=-0.412) USER MOD Single : A 72 ASN : amide:sc= -0.268 K(o=-0.27,f=-1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0782) USER MOD Single : A 79 LYS NZ :NH3+ -179:sc= -1.59! (180deg=-1.6!) USER MOD Single : A 83 ASN : amide:sc= -0.0135 K(o=-0.013,f=-0.76) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 7:sc= 0.871 USER MOD Single : A 96 ASN : amide:sc=-0.000302 X(o=-0.0003,f=0) USER MOD Single : A 100 GLN : amide:sc= -2.79! C(o=-2.8!,f=-5.6!) USER MOD Single : A 101 THR OG1 : rot 49:sc= -0.365 USER MOD Single : A 102 TYR OH : rot 29:sc= 1.23 USER MOD Single : A 103 THR OG1 : rot -130:sc= -0.0098 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 12.493 -11.360 4.634 1.00 0.00 N ATOM 14 CA PHE A 2 11.685 -10.135 4.670 1.00 0.00 C ATOM 15 C PHE A 2 11.818 -9.654 6.148 1.00 0.00 C ATOM 16 O PHE A 2 11.950 -8.453 6.338 1.00 0.00 O ATOM 17 CB PHE A 2 10.215 -10.366 4.461 1.00 0.00 C ATOM 18 CG PHE A 2 9.720 -10.196 3.026 1.00 0.00 C ATOM 19 CD1 PHE A 2 10.385 -9.340 2.186 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.638 -10.879 2.572 1.00 0.00 C ATOM 21 CE1 PHE A 2 9.899 -9.220 0.884 1.00 0.00 C ATOM 22 CE2 PHE A 2 8.248 -10.677 1.255 1.00 0.00 C ATOM 23 CZ PHE A 2 8.923 -9.817 0.435 1.00 0.00 C ATOM 0 HA PHE A 2 12.027 -9.457 3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.973 -11.376 4.793 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.662 -9.679 5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 2 11.248 -8.783 2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 2 8.098 -11.558 3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 2 10.422 -8.550 0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.392 -11.211 0.870 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.605 -9.665 -0.586 1.00 0.00 H new ATOM 33 N ASP A 3 11.763 -10.683 7.011 1.00 0.00 N ATOM 34 CA ASP A 3 11.873 -10.422 8.406 1.00 0.00 C ATOM 35 C ASP A 3 12.724 -9.228 8.833 1.00 0.00 C ATOM 36 O ASP A 3 13.949 -9.340 8.895 1.00 0.00 O ATOM 37 CB ASP A 3 12.514 -11.664 9.098 1.00 0.00 C ATOM 38 CG ASP A 3 13.207 -12.587 8.134 1.00 0.00 C ATOM 39 OD1 ASP A 3 14.356 -12.301 7.785 1.00 0.00 O ATOM 40 OD2 ASP A 3 12.673 -13.605 7.681 1.00 0.00 O ATOM 0 H ASP A 3 11.646 -11.663 6.753 1.00 0.00 H new ATOM 0 HA ASP A 3 10.849 -10.195 8.701 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.231 -11.325 9.846 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.738 -12.218 9.627 1.00 0.00 H new ATOM 45 N GLY A 4 12.038 -8.113 9.113 1.00 0.00 N ATOM 46 CA GLY A 4 12.831 -6.955 9.523 1.00 0.00 C ATOM 47 C GLY A 4 11.977 -5.737 9.246 1.00 0.00 C ATOM 48 O GLY A 4 11.224 -5.842 8.281 1.00 0.00 O ATOM 0 H GLY A 4 11.026 -7.991 9.070 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.091 -7.016 10.580 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.767 -6.908 8.967 1.00 0.00 H new ATOM 52 N THR A 5 12.132 -4.692 10.064 1.00 0.00 N ATOM 53 CA THR A 5 11.273 -3.577 9.705 1.00 0.00 C ATOM 54 C THR A 5 11.722 -2.976 8.377 1.00 0.00 C ATOM 55 O THR A 5 12.816 -3.340 7.941 1.00 0.00 O ATOM 56 CB THR A 5 11.565 -2.478 10.742 1.00 0.00 C ATOM 57 OG1 THR A 5 12.913 -2.200 10.839 1.00 0.00 O ATOM 58 CG2 THR A 5 11.057 -2.827 12.164 1.00 0.00 C ATOM 0 H THR A 5 12.753 -4.597 10.868 1.00 0.00 H new ATOM 0 HA THR A 5 10.235 -3.906 9.656 1.00 0.00 H new ATOM 0 HB THR A 5 11.023 -1.608 10.372 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.055 -1.496 11.506 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.295 -2.011 12.846 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.977 -2.976 12.138 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.541 -3.741 12.509 1.00 0.00 H new ATOM 66 N TRP A 6 10.841 -2.107 7.831 1.00 0.00 N ATOM 67 CA TRP A 6 11.025 -1.417 6.612 1.00 0.00 C ATOM 68 C TRP A 6 10.506 0.049 6.645 1.00 0.00 C ATOM 69 O TRP A 6 9.831 0.248 7.621 1.00 0.00 O ATOM 70 CB TRP A 6 10.237 -2.005 5.415 1.00 0.00 C ATOM 71 CG TRP A 6 10.620 -3.356 4.965 1.00 0.00 C ATOM 72 CD1 TRP A 6 10.218 -4.554 5.608 1.00 0.00 C ATOM 73 CD2 TRP A 6 11.410 -3.917 3.887 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.694 -5.600 5.004 1.00 0.00 N ATOM 75 CE2 TRP A 6 11.462 -5.313 3.905 1.00 0.00 C ATOM 76 CE3 TRP A 6 12.115 -3.340 2.858 1.00 0.00 C ATOM 77 CZ2 TRP A 6 12.130 -6.070 3.014 1.00 0.00 C ATOM 78 CZ3 TRP A 6 12.815 -4.071 1.926 1.00 0.00 C ATOM 79 CH2 TRP A 6 12.825 -5.431 1.995 1.00 0.00 C ATOM 0 H TRP A 6 9.952 -1.883 8.279 1.00 0.00 H new ATOM 0 HA TRP A 6 12.105 -1.500 6.488 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.180 -2.022 5.680 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.343 -1.323 4.571 1.00 0.00 H new ATOM 0 HD1 TRP A 6 9.595 -4.592 6.489 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.512 -6.553 5.320 1.00 0.00 H new ATOM 0 HE3 TRP A 6 12.120 -2.263 2.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.126 -7.147 3.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 13.357 -3.566 1.140 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.369 -6.009 1.263 1.00 0.00 H new ATOM 90 N LYS A 7 10.883 0.798 5.628 1.00 0.00 N ATOM 91 CA LYS A 7 10.592 2.170 5.396 1.00 0.00 C ATOM 92 C LYS A 7 10.543 3.137 6.588 1.00 0.00 C ATOM 93 O LYS A 7 10.588 2.789 7.725 1.00 0.00 O ATOM 94 CB LYS A 7 9.302 2.466 4.555 1.00 0.00 C ATOM 95 CG LYS A 7 9.309 1.323 3.570 1.00 0.00 C ATOM 96 CD LYS A 7 8.093 1.590 2.632 1.00 0.00 C ATOM 97 CE LYS A 7 6.830 1.911 3.422 1.00 0.00 C ATOM 98 NZ LYS A 7 5.556 1.419 2.903 1.00 0.00 N ATOM 0 H LYS A 7 11.456 0.408 4.880 1.00 0.00 H new ATOM 0 HA LYS A 7 11.502 2.375 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.403 2.469 5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.351 3.435 4.058 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.242 1.293 3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.212 0.364 4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.324 2.419 1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.918 0.715 2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.956 1.515 4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.758 2.995 3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.773 1.899 3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.498 1.614 1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.488 0.394 3.064 1.00 0.00 H new ATOM 112 N VAL A 8 10.435 4.343 6.054 1.00 0.00 N ATOM 113 CA VAL A 8 10.251 5.601 6.725 1.00 0.00 C ATOM 114 C VAL A 8 10.136 5.626 8.211 1.00 0.00 C ATOM 115 O VAL A 8 9.469 4.908 8.943 1.00 0.00 O ATOM 116 CB VAL A 8 8.902 6.044 6.063 1.00 0.00 C ATOM 117 CG1 VAL A 8 7.910 6.696 6.994 1.00 0.00 C ATOM 118 CG2 VAL A 8 9.152 7.125 5.025 1.00 0.00 C ATOM 0 H VAL A 8 10.479 4.467 5.043 1.00 0.00 H new ATOM 0 HA VAL A 8 11.134 6.229 6.608 1.00 0.00 H new ATOM 0 HB VAL A 8 8.502 5.107 5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.012 6.965 6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.649 6.001 7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.352 7.594 7.425 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.205 7.422 4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.613 7.989 5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.817 6.740 4.252 1.00 0.00 H new ATOM 300 N LEU A 21 4.815 5.652 7.092 1.00 0.00 N ATOM 301 CA LEU A 21 4.798 4.336 6.483 1.00 0.00 C ATOM 302 C LEU A 21 5.894 3.511 7.239 1.00 0.00 C ATOM 303 O LEU A 21 6.262 4.013 8.279 1.00 0.00 O ATOM 304 CB LEU A 21 5.001 4.382 4.987 1.00 0.00 C ATOM 305 CG LEU A 21 4.336 5.533 4.242 1.00 0.00 C ATOM 306 CD1 LEU A 21 5.115 6.829 4.483 1.00 0.00 C ATOM 307 CD2 LEU A 21 4.269 5.294 2.720 1.00 0.00 C ATOM 0 HA LEU A 21 3.822 3.861 6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.072 4.423 4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.635 3.446 4.565 1.00 0.00 H new ATOM 0 HG LEU A 21 3.319 5.605 4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.634 7.648 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.129 7.052 5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.137 6.711 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.786 6.145 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.278 5.179 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.695 4.389 2.519 1.00 0.00 H new ATOM 319 N LYS A 22 6.211 2.403 6.591 1.00 0.00 N ATOM 320 CA LYS A 22 7.147 1.401 6.986 1.00 0.00 C ATOM 321 C LYS A 22 6.448 0.108 6.444 1.00 0.00 C ATOM 322 O LYS A 22 5.319 0.147 6.030 1.00 0.00 O ATOM 323 CB LYS A 22 7.054 1.074 8.512 1.00 0.00 C ATOM 324 CG LYS A 22 8.050 1.758 9.433 1.00 0.00 C ATOM 325 CD LYS A 22 8.198 1.133 10.818 1.00 0.00 C ATOM 326 CE LYS A 22 9.396 1.708 11.572 1.00 0.00 C ATOM 327 NZ LYS A 22 9.791 0.830 12.663 1.00 0.00 N ATOM 0 H LYS A 22 5.773 2.176 5.698 1.00 0.00 H new ATOM 0 HA LYS A 22 8.153 1.689 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.050 1.330 8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.167 -0.003 8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.026 1.760 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.752 2.800 9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.289 1.305 11.394 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.314 0.054 10.720 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.233 1.842 10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.145 2.693 11.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.606 1.241 13.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.998 0.723 13.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.052 -0.102 12.282 1.00 0.00 H new ATOM 341 N LEU A 23 7.322 -0.861 6.576 1.00 0.00 N ATOM 342 CA LEU A 23 6.898 -2.202 6.183 1.00 0.00 C ATOM 343 C LEU A 23 7.627 -2.977 7.333 1.00 0.00 C ATOM 344 O LEU A 23 8.243 -2.231 8.125 1.00 0.00 O ATOM 345 CB LEU A 23 7.152 -2.644 4.795 1.00 0.00 C ATOM 346 CG LEU A 23 6.031 -2.509 3.741 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.666 -2.781 2.357 1.00 0.00 C ATOM 348 CD2 LEU A 23 4.947 -3.563 3.782 1.00 0.00 C ATOM 0 H LEU A 23 8.275 -0.770 6.928 1.00 0.00 H new ATOM 0 HA LEU A 23 5.820 -2.347 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.015 -2.089 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.441 -3.694 4.833 1.00 0.00 H new ATOM 0 HG LEU A 23 5.601 -1.525 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.903 -2.695 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.456 -2.054 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.087 -3.786 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.217 -3.365 2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.390 -4.547 3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.452 -3.538 4.753 1.00 0.00 H new ATOM 360 N THR A 24 7.533 -4.274 7.352 1.00 0.00 N ATOM 361 CA THR A 24 8.201 -5.074 8.397 1.00 0.00 C ATOM 362 C THR A 24 8.158 -6.526 7.915 1.00 0.00 C ATOM 363 O THR A 24 9.039 -7.017 7.238 1.00 0.00 O ATOM 364 CB THR A 24 7.676 -4.837 9.801 1.00 0.00 C ATOM 365 OG1 THR A 24 8.035 -3.570 10.299 1.00 0.00 O ATOM 366 CG2 THR A 24 8.092 -5.877 10.852 1.00 0.00 C ATOM 0 H THR A 24 7.008 -4.820 6.669 1.00 0.00 H new ATOM 0 HA THR A 24 9.238 -4.760 8.520 1.00 0.00 H new ATOM 0 HB THR A 24 6.598 -4.919 9.662 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.440 -3.039 9.581 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.662 -5.610 11.818 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.731 -6.861 10.553 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.179 -5.899 10.932 1.00 0.00 H new ATOM 374 N ILE A 25 7.062 -7.105 8.348 1.00 0.00 N ATOM 375 CA ILE A 25 6.798 -8.486 8.042 1.00 0.00 C ATOM 376 C ILE A 25 7.765 -9.374 8.832 1.00 0.00 C ATOM 377 O ILE A 25 8.945 -9.145 8.837 1.00 0.00 O ATOM 378 CB ILE A 25 6.910 -8.691 6.535 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.420 -7.537 5.686 1.00 0.00 C ATOM 380 CG2 ILE A 25 6.147 -9.998 6.181 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.531 -6.918 4.834 1.00 0.00 C ATOM 0 H ILE A 25 6.346 -6.643 8.909 1.00 0.00 H new ATOM 0 HA ILE A 25 5.787 -8.766 8.338 1.00 0.00 H new ATOM 0 HB ILE A 25 7.971 -8.758 6.296 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.619 -7.885 5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.994 -6.770 6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.207 -10.175 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.596 -10.837 6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.102 -9.900 6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.123 -6.096 4.246 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.321 -6.542 5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.941 -7.675 4.165 1.00 0.00 H new ATOM 393 N THR A 26 7.201 -10.372 9.485 1.00 0.00 N ATOM 394 CA THR A 26 8.151 -11.183 10.218 1.00 0.00 C ATOM 395 C THR A 26 7.324 -12.428 10.632 1.00 0.00 C ATOM 396 O THR A 26 6.969 -12.559 11.796 1.00 0.00 O ATOM 397 CB THR A 26 8.725 -10.545 11.468 1.00 0.00 C ATOM 398 OG1 THR A 26 9.406 -9.334 11.313 1.00 0.00 O ATOM 399 CG2 THR A 26 9.689 -11.580 12.098 1.00 0.00 C ATOM 0 H THR A 26 6.213 -10.623 9.527 1.00 0.00 H new ATOM 0 HA THR A 26 9.021 -11.374 9.590 1.00 0.00 H new ATOM 0 HB THR A 26 7.867 -10.283 12.088 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.610 -9.193 10.365 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.128 -11.163 13.004 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.138 -12.487 12.346 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.481 -11.819 11.388 1.00 0.00 H new ATOM 407 N GLN A 27 7.158 -13.169 9.529 1.00 0.00 N ATOM 408 CA GLN A 27 6.413 -14.391 9.651 1.00 0.00 C ATOM 409 C GLN A 27 6.634 -15.176 10.955 1.00 0.00 C ATOM 410 O GLN A 27 7.758 -15.259 11.392 1.00 0.00 O ATOM 411 CB GLN A 27 6.685 -15.310 8.437 1.00 0.00 C ATOM 412 CG GLN A 27 8.019 -16.008 8.520 1.00 0.00 C ATOM 413 CD GLN A 27 9.226 -15.087 8.458 1.00 0.00 C ATOM 414 OE1 GLN A 27 9.829 -14.749 9.462 1.00 0.00 O ATOM 415 NE2 GLN A 27 9.486 -14.738 7.205 1.00 0.00 N ATOM 0 H GLN A 27 7.513 -12.947 8.599 1.00 0.00 H new ATOM 0 HA GLN A 27 5.370 -14.075 9.678 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.893 -16.056 8.367 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.646 -14.718 7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.059 -16.574 9.450 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.087 -16.729 7.705 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.903 -15.090 6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.269 -14.117 7.001 1.00 0.00 H new ATOM 424 N GLU A 28 5.465 -15.669 11.417 1.00 0.00 N ATOM 425 CA GLU A 28 5.500 -16.439 12.650 1.00 0.00 C ATOM 426 C GLU A 28 5.342 -17.915 12.248 1.00 0.00 C ATOM 427 O GLU A 28 6.382 -18.529 11.967 1.00 0.00 O ATOM 428 CB GLU A 28 4.358 -15.977 13.551 1.00 0.00 C ATOM 429 CG GLU A 28 3.252 -15.158 12.911 1.00 0.00 C ATOM 430 CD GLU A 28 2.379 -14.528 13.991 1.00 0.00 C ATOM 431 OE1 GLU A 28 2.847 -13.638 14.683 1.00 0.00 O ATOM 432 OE2 GLU A 28 1.240 -14.964 14.114 1.00 0.00 O ATOM 0 H GLU A 28 4.550 -15.553 10.981 1.00 0.00 H new ATOM 0 HA GLU A 28 6.430 -16.303 13.202 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.906 -16.860 14.001 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.786 -15.389 14.363 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.682 -14.380 12.280 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.645 -15.793 12.265 1.00 0.00 H new ATOM 439 N GLY A 29 4.106 -18.410 12.244 1.00 0.00 N ATOM 440 CA GLY A 29 3.953 -19.807 11.866 1.00 0.00 C ATOM 441 C GLY A 29 3.314 -19.772 10.454 1.00 0.00 C ATOM 442 O GLY A 29 2.185 -20.181 10.254 1.00 0.00 O ATOM 0 H GLY A 29 3.252 -17.905 12.481 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.915 -20.320 11.852 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.318 -20.340 12.574 1.00 0.00 H new ATOM 446 N ASN A 30 4.176 -19.246 9.571 1.00 0.00 N ATOM 447 CA ASN A 30 3.884 -19.079 8.191 1.00 0.00 C ATOM 448 C ASN A 30 2.807 -18.016 7.963 1.00 0.00 C ATOM 449 O ASN A 30 2.317 -18.049 6.811 1.00 0.00 O ATOM 450 CB ASN A 30 3.255 -20.347 7.593 1.00 0.00 C ATOM 451 CG ASN A 30 3.795 -21.648 8.144 1.00 0.00 C ATOM 452 OD1 ASN A 30 4.950 -21.724 8.549 1.00 0.00 O ATOM 453 ND2 ASN A 30 2.944 -22.680 8.150 1.00 0.00 N ATOM 0 H ASN A 30 5.109 -18.926 9.830 1.00 0.00 H new ATOM 0 HA ASN A 30 4.839 -18.818 7.735 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.179 -20.316 7.764 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.407 -20.336 6.514 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.246 -23.588 8.504 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.993 -22.559 7.800 1.00 0.00 H new ATOM 460 N LYS A 31 2.496 -17.202 8.952 1.00 0.00 N ATOM 461 CA LYS A 31 1.453 -16.219 8.654 1.00 0.00 C ATOM 462 C LYS A 31 2.314 -15.004 8.216 1.00 0.00 C ATOM 463 O LYS A 31 3.249 -14.801 9.017 1.00 0.00 O ATOM 464 CB LYS A 31 0.597 -15.896 9.821 1.00 0.00 C ATOM 465 CG LYS A 31 0.000 -17.222 10.350 1.00 0.00 C ATOM 466 CD LYS A 31 -0.568 -17.093 11.755 1.00 0.00 C ATOM 467 CE LYS A 31 -0.913 -18.499 12.238 1.00 0.00 C ATOM 468 NZ LYS A 31 -2.052 -18.536 13.181 1.00 0.00 N ATOM 0 H LYS A 31 2.901 -17.187 9.888 1.00 0.00 H new ATOM 0 HA LYS A 31 0.731 -16.563 7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.181 -15.403 10.598 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.197 -15.207 9.533 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.787 -17.556 9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.773 -17.991 10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.157 -16.626 12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.455 -16.459 11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.145 -19.124 11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.038 -18.934 12.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.233 -19.519 13.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.826 -17.965 14.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.899 -18.150 12.717 1.00 0.00 H new ATOM 482 N PHE A 32 2.003 -14.349 7.116 1.00 0.00 N ATOM 483 CA PHE A 32 2.896 -13.214 6.812 1.00 0.00 C ATOM 484 C PHE A 32 1.866 -12.088 7.091 1.00 0.00 C ATOM 485 O PHE A 32 0.731 -12.260 6.774 1.00 0.00 O ATOM 486 CB PHE A 32 3.433 -13.260 5.418 1.00 0.00 C ATOM 487 CG PHE A 32 4.625 -14.215 5.371 1.00 0.00 C ATOM 488 CD1 PHE A 32 4.528 -15.556 5.612 1.00 0.00 C ATOM 489 CD2 PHE A 32 5.898 -13.751 5.071 1.00 0.00 C ATOM 490 CE1 PHE A 32 5.638 -16.420 5.567 1.00 0.00 C ATOM 491 CE2 PHE A 32 6.920 -14.677 5.053 1.00 0.00 C ATOM 492 CZ PHE A 32 6.838 -15.856 5.266 1.00 0.00 C ATOM 0 H PHE A 32 1.234 -14.538 6.473 1.00 0.00 H new ATOM 0 HA PHE A 32 3.828 -13.138 7.372 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.658 -13.592 4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.737 -12.263 5.100 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.559 -15.971 5.847 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.081 -12.708 4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.541 -17.478 5.762 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.905 -14.299 4.821 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.723 -16.473 5.218 1.00 0.00 H new ATOM 502 N THR A 33 2.524 -11.108 7.670 1.00 0.00 N ATOM 503 CA THR A 33 1.667 -9.954 8.001 1.00 0.00 C ATOM 504 C THR A 33 2.480 -8.832 7.437 1.00 0.00 C ATOM 505 O THR A 33 3.533 -8.493 7.995 1.00 0.00 O ATOM 506 CB THR A 33 1.440 -9.999 9.481 1.00 0.00 C ATOM 507 OG1 THR A 33 0.173 -10.555 9.788 1.00 0.00 O ATOM 508 CG2 THR A 33 1.400 -8.625 10.104 1.00 0.00 C ATOM 0 H THR A 33 3.516 -11.062 7.904 1.00 0.00 H new ATOM 0 HA THR A 33 0.656 -9.889 7.599 1.00 0.00 H new ATOM 0 HB THR A 33 2.270 -10.591 9.868 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.051 -10.574 10.760 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.233 -8.717 11.177 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.348 -8.117 9.926 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.590 -8.047 9.659 1.00 0.00 H new ATOM 516 N VAL A 34 2.036 -8.250 6.359 1.00 0.00 N ATOM 517 CA VAL A 34 2.923 -7.162 5.893 1.00 0.00 C ATOM 518 C VAL A 34 2.536 -5.986 6.760 1.00 0.00 C ATOM 519 O VAL A 34 1.424 -5.804 7.234 1.00 0.00 O ATOM 520 CB VAL A 34 2.524 -7.181 4.437 1.00 0.00 C ATOM 521 CG1 VAL A 34 2.745 -5.954 3.588 1.00 0.00 C ATOM 522 CG2 VAL A 34 3.228 -8.337 3.680 1.00 0.00 C ATOM 0 H VAL A 34 1.188 -8.452 5.829 1.00 0.00 H new ATOM 0 HA VAL A 34 4.010 -7.191 5.966 1.00 0.00 H new ATOM 0 HB VAL A 34 1.444 -7.282 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.401 -6.148 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.187 -5.116 4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.807 -5.710 3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.922 -8.326 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.309 -8.209 3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.949 -9.290 4.130 1.00 0.00 H new ATOM 532 N LYS A 35 3.615 -5.167 6.922 1.00 0.00 N ATOM 533 CA LYS A 35 3.486 -3.983 7.704 1.00 0.00 C ATOM 534 C LYS A 35 3.275 -2.699 6.962 1.00 0.00 C ATOM 535 O LYS A 35 3.657 -1.579 7.142 1.00 0.00 O ATOM 536 CB LYS A 35 4.587 -3.895 8.793 1.00 0.00 C ATOM 537 CG LYS A 35 4.521 -2.582 9.606 1.00 0.00 C ATOM 538 CD LYS A 35 5.229 -2.658 10.949 1.00 0.00 C ATOM 539 CE LYS A 35 4.315 -2.802 12.193 1.00 0.00 C ATOM 540 NZ LYS A 35 4.591 -1.775 13.202 1.00 0.00 N ATOM 0 H LYS A 35 4.539 -5.329 6.521 1.00 0.00 H new ATOM 0 HA LYS A 35 2.524 -4.104 8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.489 -4.742 9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.566 -3.976 8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.963 -1.778 9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.476 -2.319 9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.916 -3.504 10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.834 -1.759 11.070 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.271 -2.736 11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.456 -3.789 12.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.958 -1.909 14.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.579 -1.853 13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.432 -0.833 12.791 1.00 0.00 H new ATOM 554 N GLU A 36 2.473 -2.973 5.887 1.00 0.00 N ATOM 555 CA GLU A 36 2.078 -1.956 4.960 1.00 0.00 C ATOM 556 C GLU A 36 1.348 -0.855 5.761 1.00 0.00 C ATOM 557 O GLU A 36 0.148 -1.059 6.009 1.00 0.00 O ATOM 558 CB GLU A 36 0.956 -2.562 4.102 1.00 0.00 C ATOM 559 CG GLU A 36 0.239 -1.554 3.163 1.00 0.00 C ATOM 560 CD GLU A 36 -0.494 -2.394 2.110 1.00 0.00 C ATOM 561 OE1 GLU A 36 -1.071 -3.380 2.540 1.00 0.00 O ATOM 562 OE2 GLU A 36 -0.478 -2.064 0.936 1.00 0.00 O ATOM 0 H GLU A 36 2.107 -3.901 5.673 1.00 0.00 H new ATOM 0 HA GLU A 36 2.937 -1.593 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.374 -3.366 3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.215 -3.012 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.461 -0.933 3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.957 -0.882 2.693 1.00 0.00 H new ATOM 569 N SER A 37 2.086 0.198 6.100 1.00 0.00 N ATOM 570 CA SER A 37 1.425 1.255 6.854 1.00 0.00 C ATOM 571 C SER A 37 1.070 2.351 5.856 1.00 0.00 C ATOM 572 O SER A 37 1.948 2.678 5.066 1.00 0.00 O ATOM 573 CB SER A 37 2.410 1.705 7.916 1.00 0.00 C ATOM 574 OG SER A 37 2.611 0.577 8.776 1.00 0.00 O ATOM 0 H SER A 37 3.073 0.339 5.884 1.00 0.00 H new ATOM 0 HA SER A 37 0.506 0.948 7.353 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.350 2.024 7.465 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.019 2.556 8.474 1.00 0.00 H new ATOM 0 HG SER A 37 3.109 -0.117 8.295 1.00 0.00 H new ATOM 580 N SER A 38 -0.185 2.857 5.946 1.00 0.00 N ATOM 581 CA SER A 38 -0.553 3.904 5.012 1.00 0.00 C ATOM 582 C SER A 38 -1.264 5.062 5.679 1.00 0.00 C ATOM 583 O SER A 38 -1.232 5.266 6.897 1.00 0.00 O ATOM 584 CB SER A 38 -1.396 3.206 3.909 1.00 0.00 C ATOM 585 OG SER A 38 -2.744 3.528 4.079 1.00 0.00 O ATOM 0 H SER A 38 -0.902 2.571 6.612 1.00 0.00 H new ATOM 0 HA SER A 38 0.328 4.376 4.577 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.057 3.523 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.260 2.126 3.961 1.00 0.00 H new ATOM 0 HG SER A 38 -3.062 3.166 4.933 1.00 0.00 H new ATOM 591 N ASN A 39 -1.932 5.836 4.810 1.00 0.00 N ATOM 592 CA ASN A 39 -2.688 7.011 5.241 1.00 0.00 C ATOM 593 C ASN A 39 -3.704 6.499 6.263 1.00 0.00 C ATOM 594 O ASN A 39 -3.939 7.129 7.274 1.00 0.00 O ATOM 595 CB ASN A 39 -3.376 7.665 4.040 1.00 0.00 C ATOM 596 CG ASN A 39 -2.284 8.014 3.043 1.00 0.00 C ATOM 597 OD1 ASN A 39 -1.333 7.263 2.790 1.00 0.00 O ATOM 598 ND2 ASN A 39 -2.439 9.216 2.453 1.00 0.00 N ATOM 0 H ASN A 39 -1.961 5.665 3.805 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.047 7.775 5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.103 6.986 3.595 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.920 8.559 4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.757 9.539 1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.239 9.802 2.692 1.00 0.00 H new ATOM 605 N PHE A 40 -4.201 5.337 5.805 1.00 0.00 N ATOM 606 CA PHE A 40 -5.178 4.727 6.661 1.00 0.00 C ATOM 607 C PHE A 40 -4.394 3.854 7.670 1.00 0.00 C ATOM 608 O PHE A 40 -4.300 2.674 7.424 1.00 0.00 O ATOM 609 CB PHE A 40 -6.100 3.819 5.821 1.00 0.00 C ATOM 610 CG PHE A 40 -6.831 4.503 4.711 1.00 0.00 C ATOM 611 CD1 PHE A 40 -7.036 5.851 4.710 1.00 0.00 C ATOM 612 CD2 PHE A 40 -7.345 3.840 3.632 1.00 0.00 C ATOM 613 CE1 PHE A 40 -7.717 6.438 3.663 1.00 0.00 C ATOM 614 CE2 PHE A 40 -8.017 4.498 2.622 1.00 0.00 C ATOM 615 CZ PHE A 40 -8.194 5.699 2.621 1.00 0.00 C ATOM 0 H PHE A 40 -3.963 4.857 4.937 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.786 5.478 7.165 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.501 3.013 5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.831 3.357 6.485 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.667 6.456 5.525 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.222 2.769 3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.876 7.506 3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.402 3.919 1.796 1.00 0.00 H new ATOM 0 HZ PHE A 40 -8.721 6.175 1.807 1.00 0.00 H new ATOM 625 N ARG A 41 -3.933 4.581 8.692 1.00 0.00 N ATOM 626 CA ARG A 41 -3.165 4.070 9.799 1.00 0.00 C ATOM 627 C ARG A 41 -2.204 2.946 9.446 1.00 0.00 C ATOM 628 O ARG A 41 -1.620 2.971 8.346 1.00 0.00 O ATOM 629 CB ARG A 41 -4.101 3.535 10.916 1.00 0.00 C ATOM 630 CG ARG A 41 -4.872 2.280 10.556 1.00 0.00 C ATOM 631 CD ARG A 41 -6.161 2.611 9.750 1.00 0.00 C ATOM 632 NE ARG A 41 -7.207 2.514 10.745 1.00 0.00 N ATOM 633 CZ ARG A 41 -8.119 3.488 10.966 1.00 0.00 C ATOM 634 NH1 ARG A 41 -8.151 4.633 10.298 1.00 0.00 N ATOM 635 NH2 ARG A 41 -9.027 3.277 11.917 1.00 0.00 N ATOM 0 H ARG A 41 -4.100 5.585 8.760 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.574 4.925 10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.504 3.334 11.805 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.812 4.318 11.180 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.236 1.617 9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.139 1.743 11.466 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.116 3.607 9.309 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.317 1.907 8.932 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.259 1.666 11.310 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.461 4.818 9.570 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.866 5.329 10.512 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.017 2.406 12.447 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.732 3.987 12.115 1.00 0.00 H new ATOM 649 N ASN A 42 -2.038 1.980 10.341 1.00 0.00 N ATOM 650 CA ASN A 42 -1.098 0.953 9.907 1.00 0.00 C ATOM 651 C ASN A 42 -1.857 0.079 8.910 1.00 0.00 C ATOM 652 O ASN A 42 -1.608 0.086 7.711 1.00 0.00 O ATOM 653 CB ASN A 42 -0.556 0.089 11.050 1.00 0.00 C ATOM 654 CG ASN A 42 0.154 0.863 12.157 1.00 0.00 C ATOM 655 OD1 ASN A 42 0.500 2.045 12.106 1.00 0.00 O ATOM 656 ND2 ASN A 42 0.352 0.054 13.234 1.00 0.00 N ATOM 0 H ASN A 42 -2.476 1.883 11.257 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.222 1.433 9.472 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.383 -0.468 11.489 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.137 -0.643 10.636 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.813 0.418 14.068 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.039 -0.916 13.207 1.00 0.00 H new ATOM 663 N ILE A 43 -2.785 -0.648 9.529 1.00 0.00 N ATOM 664 CA ILE A 43 -3.641 -1.560 8.739 1.00 0.00 C ATOM 665 C ILE A 43 -2.694 -2.604 8.224 1.00 0.00 C ATOM 666 O ILE A 43 -1.859 -2.586 7.345 1.00 0.00 O ATOM 667 CB ILE A 43 -4.331 -0.657 7.722 1.00 0.00 C ATOM 668 CG1 ILE A 43 -5.855 -0.816 7.643 1.00 0.00 C ATOM 669 CG2 ILE A 43 -3.917 -1.003 6.284 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.592 -1.137 8.938 1.00 0.00 C ATOM 0 H ILE A 43 -2.967 -0.635 10.532 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.442 -2.102 9.242 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.039 0.335 8.068 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.270 0.107 7.239 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.075 -1.606 6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.429 -0.339 5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.839 -0.881 6.176 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.188 -2.036 6.066 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.660 -1.222 8.737 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.223 -2.079 9.343 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.421 -0.340 9.661 1.00 0.00 H new ATOM 682 N ASP A 44 -2.860 -3.768 8.932 1.00 0.00 N ATOM 683 CA ASP A 44 -2.082 -4.954 8.662 1.00 0.00 C ATOM 684 C ASP A 44 -2.937 -5.852 7.802 1.00 0.00 C ATOM 685 O ASP A 44 -4.160 -5.735 7.887 1.00 0.00 O ATOM 686 CB ASP A 44 -1.744 -5.725 9.951 1.00 0.00 C ATOM 687 CG ASP A 44 -2.938 -5.910 10.857 1.00 0.00 C ATOM 688 OD1 ASP A 44 -3.923 -6.562 10.553 1.00 0.00 O ATOM 689 OD2 ASP A 44 -2.872 -5.342 11.972 1.00 0.00 O ATOM 0 H ASP A 44 -3.535 -3.877 9.689 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.147 -4.664 8.182 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.339 -6.702 9.688 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.963 -5.192 10.493 1.00 0.00 H new ATOM 694 N VAL A 45 -2.188 -6.657 7.065 1.00 0.00 N ATOM 695 CA VAL A 45 -2.901 -7.590 6.179 1.00 0.00 C ATOM 696 C VAL A 45 -2.297 -8.938 6.564 1.00 0.00 C ATOM 697 O VAL A 45 -1.160 -9.172 6.227 1.00 0.00 O ATOM 698 CB VAL A 45 -2.739 -7.173 4.745 1.00 0.00 C ATOM 699 CG1 VAL A 45 -3.991 -7.443 3.896 1.00 0.00 C ATOM 700 CG2 VAL A 45 -2.617 -5.644 4.587 1.00 0.00 C ATOM 0 H VAL A 45 -1.169 -6.695 7.050 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.985 -7.622 6.289 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.859 -7.735 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.812 -7.120 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.215 -8.510 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.836 -6.891 4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.502 -5.395 3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.515 -5.165 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.747 -5.289 5.140 1.00 0.00 H new ATOM 710 N VAL A 46 -3.097 -9.746 7.262 1.00 0.00 N ATOM 711 CA VAL A 46 -2.488 -11.025 7.617 1.00 0.00 C ATOM 712 C VAL A 46 -3.118 -12.208 6.912 1.00 0.00 C ATOM 713 O VAL A 46 -4.285 -12.080 6.558 1.00 0.00 O ATOM 714 CB VAL A 46 -2.918 -11.158 9.097 1.00 0.00 C ATOM 715 CG1 VAL A 46 -4.387 -11.451 9.367 1.00 0.00 C ATOM 716 CG2 VAL A 46 -2.231 -12.314 9.855 1.00 0.00 C ATOM 0 H VAL A 46 -4.056 -9.571 7.563 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.424 -11.033 7.379 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.636 -10.160 9.433 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.553 -11.519 10.442 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.000 -10.649 8.956 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.662 -12.395 8.897 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.588 -12.337 10.885 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.467 -13.260 9.368 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.152 -12.163 9.849 1.00 0.00 H new ATOM 726 N PHE A 47 -2.260 -13.227 6.794 1.00 0.00 N ATOM 727 CA PHE A 47 -2.752 -14.412 6.135 1.00 0.00 C ATOM 728 C PHE A 47 -1.913 -15.651 6.358 1.00 0.00 C ATOM 729 O PHE A 47 -1.126 -15.611 7.292 1.00 0.00 O ATOM 730 CB PHE A 47 -2.795 -14.150 4.604 1.00 0.00 C ATOM 731 CG PHE A 47 -1.728 -13.136 4.258 1.00 0.00 C ATOM 732 CD1 PHE A 47 -1.833 -11.783 4.362 1.00 0.00 C ATOM 733 CD2 PHE A 47 -0.503 -13.586 3.787 1.00 0.00 C ATOM 734 CE1 PHE A 47 -0.784 -10.972 4.016 1.00 0.00 C ATOM 735 CE2 PHE A 47 0.523 -12.743 3.453 1.00 0.00 C ATOM 736 CZ PHE A 47 0.283 -11.390 3.606 1.00 0.00 C ATOM 0 H PHE A 47 -1.295 -13.250 7.123 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.734 -14.606 6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.627 -15.078 4.057 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.778 -13.780 4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.752 -11.344 4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.352 -14.650 3.679 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.911 -9.904 4.112 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.469 -13.115 3.089 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.063 -10.686 3.355 1.00 0.00 H new ATOM 746 N GLU A 48 -2.101 -16.692 5.509 1.00 0.00 N ATOM 747 CA GLU A 48 -1.302 -17.850 5.731 1.00 0.00 C ATOM 748 C GLU A 48 -0.704 -18.466 4.432 1.00 0.00 C ATOM 749 O GLU A 48 -0.881 -19.648 4.185 1.00 0.00 O ATOM 750 CB GLU A 48 -2.222 -18.899 6.416 1.00 0.00 C ATOM 751 CG GLU A 48 -2.565 -18.501 7.819 1.00 0.00 C ATOM 752 CD GLU A 48 -4.046 -18.587 8.230 1.00 0.00 C ATOM 753 OE1 GLU A 48 -4.472 -19.677 8.671 1.00 0.00 O ATOM 754 OE2 GLU A 48 -4.846 -17.666 8.153 1.00 0.00 O ATOM 0 H GLU A 48 -2.757 -16.728 4.728 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.446 -17.563 6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.138 -19.014 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.725 -19.869 6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.988 -19.128 8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.231 -17.475 7.971 1.00 0.00 H new ATOM 761 N LEU A 49 -0.045 -17.567 3.729 1.00 0.00 N ATOM 762 CA LEU A 49 0.631 -17.828 2.466 1.00 0.00 C ATOM 763 C LEU A 49 -0.200 -18.494 1.407 1.00 0.00 C ATOM 764 O LEU A 49 0.238 -19.090 0.441 1.00 0.00 O ATOM 765 CB LEU A 49 1.828 -18.717 2.893 1.00 0.00 C ATOM 766 CG LEU A 49 3.156 -18.108 2.546 1.00 0.00 C ATOM 767 CD1 LEU A 49 3.467 -18.071 1.023 1.00 0.00 C ATOM 768 CD2 LEU A 49 3.388 -16.652 3.001 1.00 0.00 C ATOM 0 H LEU A 49 0.040 -16.596 4.030 1.00 0.00 H new ATOM 0 HA LEU A 49 0.905 -16.893 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.782 -18.889 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.742 -19.691 2.410 1.00 0.00 H new ATOM 0 HG LEU A 49 3.804 -18.790 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.444 -17.616 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.470 -19.087 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.705 -17.484 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.382 -16.328 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.637 -16.005 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.309 -16.593 4.087 1.00 0.00 H new ATOM 780 N GLY A 50 -1.520 -18.391 1.595 1.00 0.00 N ATOM 781 CA GLY A 50 -2.401 -19.003 0.616 1.00 0.00 C ATOM 782 C GLY A 50 -3.592 -19.552 1.434 1.00 0.00 C ATOM 783 O GLY A 50 -3.680 -20.746 1.567 1.00 0.00 O ATOM 0 H GLY A 50 -1.976 -17.916 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.733 -18.276 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.894 -19.801 0.074 1.00 0.00 H new ATOM 787 N VAL A 51 -4.378 -18.574 1.892 1.00 0.00 N ATOM 788 CA VAL A 51 -5.551 -18.799 2.677 1.00 0.00 C ATOM 789 C VAL A 51 -6.795 -18.209 2.029 1.00 0.00 C ATOM 790 O VAL A 51 -7.802 -18.875 1.908 1.00 0.00 O ATOM 791 CB VAL A 51 -5.462 -18.383 4.156 1.00 0.00 C ATOM 792 CG1 VAL A 51 -6.559 -17.472 4.669 1.00 0.00 C ATOM 793 CG2 VAL A 51 -5.687 -19.635 5.027 1.00 0.00 C ATOM 0 H VAL A 51 -4.195 -17.587 1.712 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.632 -19.886 2.696 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.496 -17.882 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.385 -17.251 5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.558 -16.543 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.524 -17.966 4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.628 -19.361 6.080 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.671 -20.053 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.921 -20.377 4.802 1.00 0.00 H new ATOM 803 N ASP A 52 -6.563 -16.937 1.660 1.00 0.00 N ATOM 804 CA ASP A 52 -7.709 -16.270 1.015 1.00 0.00 C ATOM 805 C ASP A 52 -8.668 -15.875 2.167 1.00 0.00 C ATOM 806 O ASP A 52 -8.984 -16.648 3.031 1.00 0.00 O ATOM 807 CB ASP A 52 -8.334 -17.022 -0.121 1.00 0.00 C ATOM 808 CG ASP A 52 -7.359 -17.967 -0.861 1.00 0.00 C ATOM 809 OD1 ASP A 52 -6.148 -17.916 -0.701 1.00 0.00 O ATOM 810 OD2 ASP A 52 -7.873 -18.791 -1.620 1.00 0.00 O ATOM 0 H ASP A 52 -5.703 -16.401 1.776 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.380 -15.381 0.477 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.171 -17.607 0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.743 -16.307 -0.835 1.00 0.00 H new ATOM 815 N PHE A 53 -9.031 -14.586 2.006 1.00 0.00 N ATOM 816 CA PHE A 53 -9.918 -14.079 3.015 1.00 0.00 C ATOM 817 C PHE A 53 -10.633 -12.785 2.714 1.00 0.00 C ATOM 818 O PHE A 53 -10.050 -11.959 2.004 1.00 0.00 O ATOM 819 CB PHE A 53 -9.056 -13.736 4.271 1.00 0.00 C ATOM 820 CG PHE A 53 -7.872 -12.906 3.808 1.00 0.00 C ATOM 821 CD1 PHE A 53 -6.673 -13.389 3.351 1.00 0.00 C ATOM 822 CD2 PHE A 53 -7.979 -11.540 3.831 1.00 0.00 C ATOM 823 CE1 PHE A 53 -5.648 -12.552 2.945 1.00 0.00 C ATOM 824 CE2 PHE A 53 -6.914 -10.756 3.406 1.00 0.00 C ATOM 825 CZ PHE A 53 -5.845 -11.193 3.000 1.00 0.00 C ATOM 0 H PHE A 53 -8.748 -13.950 1.261 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.670 -14.861 3.121 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.648 -13.184 5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.715 -14.648 4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.523 -14.458 3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.889 -11.074 4.179 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.712 -12.959 2.592 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.038 -9.684 3.436 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.063 -10.516 2.688 1.00 0.00 H new ATOM 835 N ALA A 54 -11.840 -12.570 3.216 1.00 0.00 N ATOM 836 CA ALA A 54 -12.566 -11.316 2.952 1.00 0.00 C ATOM 837 C ALA A 54 -12.390 -10.593 4.322 1.00 0.00 C ATOM 838 O ALA A 54 -12.915 -11.145 5.265 1.00 0.00 O ATOM 839 CB ALA A 54 -14.019 -11.534 2.646 1.00 0.00 C ATOM 0 H ALA A 54 -12.342 -13.235 3.804 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.197 -10.773 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.500 -10.574 2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.114 -12.164 1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.500 -12.023 3.493 1.00 0.00 H new ATOM 845 N TYR A 55 -11.696 -9.475 4.322 1.00 0.00 N ATOM 846 CA TYR A 55 -11.516 -8.788 5.591 1.00 0.00 C ATOM 847 C TYR A 55 -11.657 -7.290 5.405 1.00 0.00 C ATOM 848 O TYR A 55 -11.030 -6.670 4.561 1.00 0.00 O ATOM 849 CB TYR A 55 -10.195 -9.215 6.242 1.00 0.00 C ATOM 850 CG TYR A 55 -10.166 -8.994 7.723 1.00 0.00 C ATOM 851 CD1 TYR A 55 -11.033 -9.596 8.601 1.00 0.00 C ATOM 852 CD2 TYR A 55 -9.234 -8.135 8.321 1.00 0.00 C ATOM 853 CE1 TYR A 55 -10.979 -9.372 9.958 1.00 0.00 C ATOM 854 CE2 TYR A 55 -9.279 -7.988 9.707 1.00 0.00 C ATOM 855 CZ TYR A 55 -10.184 -8.637 10.521 1.00 0.00 C ATOM 856 OH TYR A 55 -10.227 -8.496 11.884 1.00 0.00 O ATOM 0 H TYR A 55 -11.266 -9.037 3.507 1.00 0.00 H new ATOM 0 HA TYR A 55 -12.303 -9.077 6.288 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.021 -10.271 6.036 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.376 -8.661 5.783 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.784 -10.269 8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.504 -7.604 7.728 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.699 -9.889 10.575 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.562 -7.326 10.171 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.525 -7.876 12.171 1.00 0.00 H new ATOM 866 N SER A 56 -12.523 -6.738 6.248 1.00 0.00 N ATOM 867 CA SER A 56 -12.699 -5.303 6.110 1.00 0.00 C ATOM 868 C SER A 56 -11.471 -4.660 6.810 1.00 0.00 C ATOM 869 O SER A 56 -11.361 -4.770 8.036 1.00 0.00 O ATOM 870 CB SER A 56 -14.021 -4.981 6.795 1.00 0.00 C ATOM 871 OG SER A 56 -14.019 -3.734 7.453 1.00 0.00 O ATOM 0 H SER A 56 -13.067 -7.210 6.970 1.00 0.00 H new ATOM 0 HA SER A 56 -12.744 -4.930 5.087 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.819 -4.991 6.052 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.248 -5.765 7.517 1.00 0.00 H new ATOM 0 HG SER A 56 -14.892 -3.583 7.871 1.00 0.00 H new ATOM 877 N LEU A 57 -10.631 -4.031 5.994 1.00 0.00 N ATOM 878 CA LEU A 57 -9.421 -3.368 6.489 1.00 0.00 C ATOM 879 C LEU A 57 -9.763 -2.170 7.365 1.00 0.00 C ATOM 880 O LEU A 57 -9.852 -2.278 8.582 1.00 0.00 O ATOM 881 CB LEU A 57 -8.488 -2.999 5.345 1.00 0.00 C ATOM 882 CG LEU A 57 -7.434 -4.093 5.103 1.00 0.00 C ATOM 883 CD1 LEU A 57 -6.448 -4.023 6.259 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.993 -5.501 5.065 1.00 0.00 C ATOM 0 H LEU A 57 -10.763 -3.964 4.985 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.885 -4.076 7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.069 -2.844 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.990 -2.056 5.570 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.990 -3.905 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.679 -4.785 6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.982 -3.038 6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.975 -4.196 7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.183 -6.209 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.474 -5.727 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.725 -5.580 4.261 1.00 0.00 H new ATOM 896 N ALA A 58 -9.952 -1.031 6.716 1.00 0.00 N ATOM 897 CA ALA A 58 -10.275 0.159 7.456 1.00 0.00 C ATOM 898 C ALA A 58 -11.709 0.157 7.930 1.00 0.00 C ATOM 899 O ALA A 58 -12.188 -0.917 8.300 1.00 0.00 O ATOM 900 CB ALA A 58 -10.026 1.335 6.498 1.00 0.00 C ATOM 0 H ALA A 58 -9.888 -0.915 5.705 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.661 0.229 8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.255 2.272 7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.981 1.336 6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.665 1.232 5.621 1.00 0.00 H new ATOM 906 N ASP A 59 -12.372 1.332 7.915 1.00 0.00 N ATOM 907 CA ASP A 59 -13.750 1.360 8.366 1.00 0.00 C ATOM 908 C ASP A 59 -14.719 1.329 7.204 1.00 0.00 C ATOM 909 O ASP A 59 -15.889 1.080 7.429 1.00 0.00 O ATOM 910 CB ASP A 59 -14.027 2.675 9.128 1.00 0.00 C ATOM 911 CG ASP A 59 -13.417 2.665 10.531 1.00 0.00 C ATOM 912 OD1 ASP A 59 -12.225 2.811 10.666 1.00 0.00 O ATOM 913 OD2 ASP A 59 -14.207 2.497 11.451 1.00 0.00 O ATOM 0 H ASP A 59 -11.987 2.225 7.609 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.891 0.484 8.999 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.621 3.514 8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.103 2.831 9.202 1.00 0.00 H new ATOM 918 N GLY A 60 -14.127 1.589 6.021 1.00 0.00 N ATOM 919 CA GLY A 60 -14.930 1.591 4.835 1.00 0.00 C ATOM 920 C GLY A 60 -14.017 0.956 3.738 1.00 0.00 C ATOM 921 O GLY A 60 -13.571 1.741 2.927 1.00 0.00 O ATOM 0 H GLY A 60 -13.136 1.790 5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.843 1.012 4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.232 2.602 4.563 1.00 0.00 H new ATOM 925 N THR A 61 -13.881 -0.364 3.870 1.00 0.00 N ATOM 926 CA THR A 61 -13.108 -1.208 3.007 1.00 0.00 C ATOM 927 C THR A 61 -13.662 -2.640 2.921 1.00 0.00 C ATOM 928 O THR A 61 -14.220 -3.081 3.908 1.00 0.00 O ATOM 929 CB THR A 61 -11.614 -1.195 3.454 1.00 0.00 C ATOM 930 OG1 THR A 61 -11.468 -1.650 4.760 1.00 0.00 O ATOM 931 CG2 THR A 61 -11.006 0.191 3.270 1.00 0.00 C ATOM 0 H THR A 61 -14.335 -0.882 4.622 1.00 0.00 H new ATOM 0 HA THR A 61 -13.179 -0.803 1.997 1.00 0.00 H new ATOM 0 HB THR A 61 -11.067 -1.886 2.813 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.349 -1.868 5.131 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.964 0.176 3.588 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.061 0.476 2.219 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.559 0.913 3.871 1.00 0.00 H new ATOM 939 N GLU A 62 -13.470 -3.271 1.744 1.00 0.00 N ATOM 940 CA GLU A 62 -13.987 -4.627 1.652 1.00 0.00 C ATOM 941 C GLU A 62 -13.081 -5.436 0.721 1.00 0.00 C ATOM 942 O GLU A 62 -13.539 -6.127 -0.195 1.00 0.00 O ATOM 943 CB GLU A 62 -15.394 -4.662 1.082 1.00 0.00 C ATOM 944 CG GLU A 62 -16.152 -5.957 1.382 1.00 0.00 C ATOM 945 CD GLU A 62 -17.603 -5.545 1.627 1.00 0.00 C ATOM 946 OE1 GLU A 62 -18.359 -5.385 0.699 1.00 0.00 O ATOM 947 OE2 GLU A 62 -17.993 -5.377 2.800 1.00 0.00 O ATOM 0 H GLU A 62 -13.003 -2.896 0.919 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.010 -5.044 2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.959 -3.821 1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.342 -4.525 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.079 -6.654 0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.736 -6.460 2.255 1.00 0.00 H new ATOM 954 N LEU A 63 -11.764 -5.286 1.043 1.00 0.00 N ATOM 955 CA LEU A 63 -10.878 -6.031 0.195 1.00 0.00 C ATOM 956 C LEU A 63 -11.125 -7.522 0.465 1.00 0.00 C ATOM 957 O LEU A 63 -11.748 -7.975 1.394 1.00 0.00 O ATOM 958 CB LEU A 63 -9.408 -5.658 0.466 1.00 0.00 C ATOM 959 CG LEU A 63 -8.926 -4.347 -0.181 1.00 0.00 C ATOM 960 CD1 LEU A 63 -9.830 -3.179 0.149 1.00 0.00 C ATOM 961 CD2 LEU A 63 -7.584 -3.922 0.412 1.00 0.00 C ATOM 0 H LEU A 63 -11.358 -4.724 1.791 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.073 -5.798 -0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.263 -5.586 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.774 -6.471 0.113 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.893 -4.554 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.449 -2.277 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.837 -3.384 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.856 -3.033 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.257 -2.993 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.693 -3.768 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.843 -4.700 0.230 1.00 0.00 H new ATOM 973 N THR A 64 -10.556 -8.269 -0.493 1.00 0.00 N ATOM 974 CA THR A 64 -10.686 -9.700 -0.411 1.00 0.00 C ATOM 975 C THR A 64 -9.584 -10.237 -1.330 1.00 0.00 C ATOM 976 O THR A 64 -9.611 -9.966 -2.526 1.00 0.00 O ATOM 977 CB THR A 64 -12.047 -10.118 -0.995 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.077 -9.817 -0.094 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.142 -11.580 -1.336 1.00 0.00 C ATOM 0 H THR A 64 -10.029 -7.913 -1.291 1.00 0.00 H new ATOM 0 HA THR A 64 -10.612 -10.068 0.612 1.00 0.00 H new ATOM 0 HB THR A 64 -12.147 -9.553 -1.922 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.746 -9.191 0.584 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.130 -11.796 -1.742 1.00 0.00 H new ATOM 0 HG22 THR A 64 -11.383 -11.831 -2.077 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.981 -12.175 -0.437 1.00 0.00 H new ATOM 987 N GLY A 65 -8.666 -10.988 -0.701 1.00 0.00 N ATOM 988 CA GLY A 65 -7.655 -11.463 -1.639 1.00 0.00 C ATOM 989 C GLY A 65 -7.054 -12.756 -1.087 1.00 0.00 C ATOM 990 O GLY A 65 -7.861 -13.607 -0.736 1.00 0.00 O ATOM 0 H GLY A 65 -8.600 -11.245 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.100 -11.639 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.878 -10.710 -1.772 1.00 0.00 H new ATOM 994 N THR A 66 -5.731 -12.722 -1.091 1.00 0.00 N ATOM 995 CA THR A 66 -4.893 -13.827 -0.656 1.00 0.00 C ATOM 996 C THR A 66 -3.450 -13.560 -0.997 1.00 0.00 C ATOM 997 O THR A 66 -3.188 -13.027 -2.079 1.00 0.00 O ATOM 998 CB THR A 66 -5.362 -15.039 -1.465 1.00 0.00 C ATOM 999 OG1 THR A 66 -4.440 -16.047 -1.158 1.00 0.00 O ATOM 1000 CG2 THR A 66 -5.228 -14.702 -2.975 1.00 0.00 C ATOM 0 H THR A 66 -5.200 -11.909 -1.403 1.00 0.00 H new ATOM 0 HA THR A 66 -4.969 -13.976 0.421 1.00 0.00 H new ATOM 0 HB THR A 66 -6.391 -15.322 -1.245 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.879 -16.740 -0.622 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.558 -15.555 -3.569 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.845 -13.835 -3.211 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.187 -14.479 -3.207 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.460 -13.851 -0.161 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.087 -13.472 -0.574 1.00 0.00 C ATOM 1010 C TRP A 67 -0.177 -14.623 -0.178 1.00 0.00 C ATOM 1011 O TRP A 67 0.102 -14.842 0.980 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.750 -12.186 0.182 1.00 0.00 C ATOM 1013 CG TRP A 67 -2.014 -11.364 -0.157 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -3.149 -11.315 0.636 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -2.151 -10.597 -1.356 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -3.928 -10.578 -0.071 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -3.441 -10.102 -1.269 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -1.373 -10.297 -2.437 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -3.894 -9.332 -2.306 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -1.842 -9.519 -3.449 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -3.129 -9.025 -3.384 1.00 0.00 C ATOM 0 H TRP A 67 -2.552 -14.313 0.744 1.00 0.00 H new ATOM 0 HA TRP A 67 -0.977 -13.294 -1.644 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.628 -12.348 1.253 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.166 -11.716 -0.176 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.331 -11.775 1.596 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -4.872 -10.353 0.243 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -0.366 -10.685 -2.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -4.904 -8.952 -2.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.213 -9.290 -4.296 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -3.520 -8.405 -4.177 1.00 0.00 H new ATOM 1032 N THR A 68 0.177 -15.249 -1.310 1.00 0.00 N ATOM 1033 CA THR A 68 1.023 -16.396 -1.410 1.00 0.00 C ATOM 1034 C THR A 68 2.449 -16.085 -1.888 1.00 0.00 C ATOM 1035 O THR A 68 2.775 -16.363 -3.014 1.00 0.00 O ATOM 1036 CB THR A 68 0.456 -17.403 -2.409 1.00 0.00 C ATOM 1037 OG1 THR A 68 0.444 -17.013 -3.757 1.00 0.00 O ATOM 1038 CG2 THR A 68 -0.988 -17.816 -2.058 1.00 0.00 C ATOM 0 H THR A 68 -0.152 -14.931 -2.222 1.00 0.00 H new ATOM 0 HA THR A 68 1.062 -16.789 -0.394 1.00 0.00 H new ATOM 0 HB THR A 68 1.162 -18.227 -2.312 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.352 -16.769 -4.035 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.351 -18.533 -2.795 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.006 -18.273 -1.068 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.630 -16.935 -2.062 1.00 0.00 H new ATOM 1046 N MET A 69 3.131 -15.521 -0.905 1.00 0.00 N ATOM 1047 CA MET A 69 4.526 -15.119 -1.078 1.00 0.00 C ATOM 1048 C MET A 69 5.209 -16.308 -1.756 1.00 0.00 C ATOM 1049 O MET A 69 4.978 -17.415 -1.311 1.00 0.00 O ATOM 1050 CB MET A 69 5.105 -14.914 0.331 1.00 0.00 C ATOM 1051 CG MET A 69 6.590 -15.300 0.395 1.00 0.00 C ATOM 1052 SD MET A 69 7.484 -14.170 1.450 1.00 0.00 S ATOM 1053 CE MET A 69 8.655 -15.249 2.259 1.00 0.00 C ATOM 0 H MET A 69 2.747 -15.330 0.020 1.00 0.00 H new ATOM 0 HA MET A 69 4.656 -14.209 -1.664 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.987 -13.871 0.625 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.542 -15.513 1.047 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.692 -16.317 0.773 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.019 -15.288 -0.607 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.149 -14.709 3.067 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.131 -16.113 2.668 1.00 0.00 H new ATOM 0 HE3 MET A 69 9.400 -15.584 1.537 1.00 0.00 H new ATOM 1063 N GLU A 70 5.985 -15.910 -2.782 1.00 0.00 N ATOM 1064 CA GLU A 70 6.689 -16.950 -3.520 1.00 0.00 C ATOM 1065 C GLU A 70 8.115 -16.533 -3.810 1.00 0.00 C ATOM 1066 O GLU A 70 8.491 -16.321 -4.961 1.00 0.00 O ATOM 1067 CB GLU A 70 5.969 -17.157 -4.873 1.00 0.00 C ATOM 1068 CG GLU A 70 6.286 -18.419 -5.632 1.00 0.00 C ATOM 1069 CD GLU A 70 5.058 -19.356 -5.620 1.00 0.00 C ATOM 1070 OE1 GLU A 70 4.078 -18.933 -6.241 1.00 0.00 O ATOM 1071 OE2 GLU A 70 5.104 -20.436 -5.023 1.00 0.00 O ATOM 0 H GLU A 70 6.129 -14.950 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 70 6.696 -17.862 -2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.894 -17.132 -4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.204 -16.308 -5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.562 -18.178 -6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.143 -18.920 -5.181 1.00 0.00 H new ATOM 1078 N GLY A 71 8.868 -16.429 -2.714 1.00 0.00 N ATOM 1079 CA GLY A 71 10.245 -16.039 -2.859 1.00 0.00 C ATOM 1080 C GLY A 71 10.351 -14.663 -3.516 1.00 0.00 C ATOM 1081 O GLY A 71 10.533 -14.510 -4.733 1.00 0.00 O ATOM 0 H GLY A 71 8.553 -16.604 -1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.727 -16.019 -1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.776 -16.777 -3.461 1.00 0.00 H new ATOM 1085 N ASN A 72 10.230 -13.646 -2.648 1.00 0.00 N ATOM 1086 CA ASN A 72 10.314 -12.283 -3.134 1.00 0.00 C ATOM 1087 C ASN A 72 9.217 -11.890 -4.111 1.00 0.00 C ATOM 1088 O ASN A 72 9.532 -11.004 -4.922 1.00 0.00 O ATOM 1089 CB ASN A 72 11.732 -12.011 -3.689 1.00 0.00 C ATOM 1090 CG ASN A 72 12.743 -12.647 -2.752 1.00 0.00 C ATOM 1091 OD1 ASN A 72 12.528 -12.690 -1.533 1.00 0.00 O ATOM 1092 ND2 ASN A 72 13.817 -13.118 -3.365 1.00 0.00 N ATOM 0 H ASN A 72 10.079 -13.746 -1.644 1.00 0.00 H new ATOM 0 HA ASN A 72 10.137 -11.632 -2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.832 -12.425 -4.692 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.910 -10.938 -3.767 1.00 0.00 H new ATOM 0 HD21 ASN A 72 14.558 -13.564 -2.825 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.903 -13.035 -4.378 1.00 0.00 H new ATOM 1099 N LYS A 73 8.052 -12.550 -3.962 1.00 0.00 N ATOM 1100 CA LYS A 73 6.955 -12.200 -4.886 1.00 0.00 C ATOM 1101 C LYS A 73 5.712 -11.931 -4.048 1.00 0.00 C ATOM 1102 O LYS A 73 5.716 -12.456 -2.936 1.00 0.00 O ATOM 1103 CB LYS A 73 6.808 -13.193 -6.024 1.00 0.00 C ATOM 1104 CG LYS A 73 8.031 -13.397 -6.898 1.00 0.00 C ATOM 1105 CD LYS A 73 7.627 -13.892 -8.269 1.00 0.00 C ATOM 1106 CE LYS A 73 7.138 -12.691 -9.110 1.00 0.00 C ATOM 1107 NZ LYS A 73 6.549 -13.174 -10.343 1.00 0.00 N ATOM 0 H LYS A 73 7.852 -13.272 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 73 7.173 -11.283 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.524 -14.157 -5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.984 -12.867 -6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.579 -12.460 -6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.704 -14.115 -6.430 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.472 -14.376 -8.759 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.837 -14.638 -8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.406 -12.113 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.971 -12.023 -9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.220 -12.367 -10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.260 -13.708 -10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.744 -13.794 -10.123 1.00 0.00 H new ATOM 1121 N LEU A 74 4.751 -11.172 -4.561 1.00 0.00 N ATOM 1122 CA LEU A 74 3.584 -10.922 -3.754 1.00 0.00 C ATOM 1123 C LEU A 74 2.246 -10.898 -4.471 1.00 0.00 C ATOM 1124 O LEU A 74 1.415 -10.018 -4.317 1.00 0.00 O ATOM 1125 CB LEU A 74 3.811 -9.629 -2.927 1.00 0.00 C ATOM 1126 CG LEU A 74 4.301 -10.038 -1.527 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.549 -8.882 -0.578 1.00 0.00 C ATOM 1128 CD2 LEU A 74 3.422 -11.041 -0.747 1.00 0.00 C ATOM 0 H LEU A 74 4.759 -10.742 -5.486 1.00 0.00 H new ATOM 0 HA LEU A 74 3.487 -11.795 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.545 -8.989 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.887 -9.056 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 74 5.233 -10.526 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.891 -9.267 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.310 -8.224 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.624 -8.323 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.877 -11.246 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.429 -10.616 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.339 -11.969 -1.313 1.00 0.00 H new ATOM 1140 N VAL A 75 2.183 -11.986 -5.265 1.00 0.00 N ATOM 1141 CA VAL A 75 1.043 -12.265 -6.083 1.00 0.00 C ATOM 1142 C VAL A 75 -0.176 -12.636 -5.258 1.00 0.00 C ATOM 1143 O VAL A 75 -0.202 -13.225 -4.189 1.00 0.00 O ATOM 1144 CB VAL A 75 1.518 -13.359 -7.043 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.481 -14.185 -7.793 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.334 -12.724 -8.192 1.00 0.00 C ATOM 0 H VAL A 75 2.930 -12.677 -5.339 1.00 0.00 H new ATOM 0 HA VAL A 75 0.696 -11.394 -6.640 1.00 0.00 H new ATOM 0 HB VAL A 75 2.043 -14.020 -6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.986 -14.913 -8.428 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.155 -14.707 -7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.131 -13.527 -8.410 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.671 -13.505 -8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.708 -12.014 -8.734 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.199 -12.204 -7.780 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.279 -12.218 -5.873 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.602 -12.453 -5.285 1.00 0.00 C ATOM 1158 C GLY A 76 -3.421 -11.218 -5.697 1.00 0.00 C ATOM 1159 O GLY A 76 -3.067 -10.576 -6.660 1.00 0.00 O ATOM 0 H GLY A 76 -1.289 -11.722 -6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.049 -13.372 -5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.545 -12.550 -4.201 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.486 -11.004 -4.890 1.00 0.00 N ATOM 1164 CA LYS A 77 -5.246 -9.849 -5.296 1.00 0.00 C ATOM 1165 C LYS A 77 -6.386 -9.418 -4.415 1.00 0.00 C ATOM 1166 O LYS A 77 -7.229 -10.211 -4.066 1.00 0.00 O ATOM 1167 CB LYS A 77 -5.860 -10.344 -6.646 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.281 -9.875 -6.811 1.00 0.00 C ATOM 1169 CD LYS A 77 -7.812 -9.862 -8.225 1.00 0.00 C ATOM 1170 CE LYS A 77 -8.514 -11.208 -8.566 1.00 0.00 C ATOM 1171 NZ LYS A 77 -7.599 -12.299 -8.870 1.00 0.00 N ATOM 0 H LYS A 77 -4.792 -11.537 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.592 -8.977 -5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.256 -9.979 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.828 -11.433 -6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.926 -10.513 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.360 -8.867 -6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.516 -9.039 -8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.994 -9.687 -8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.143 -11.500 -7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.174 -11.054 -9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.137 -13.112 -9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.915 -11.988 -9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.091 -12.577 -8.006 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.315 -8.098 -4.100 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.389 -7.550 -3.280 1.00 0.00 C ATOM 1187 C PHE A 78 -8.227 -6.830 -4.348 1.00 0.00 C ATOM 1188 O PHE A 78 -8.019 -6.711 -5.528 1.00 0.00 O ATOM 1189 CB PHE A 78 -6.874 -6.587 -2.242 1.00 0.00 C ATOM 1190 CG PHE A 78 -5.698 -6.935 -1.403 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -6.000 -7.710 -0.273 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -4.381 -6.660 -1.524 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -5.053 -8.145 0.592 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -3.438 -7.129 -0.614 1.00 0.00 C ATOM 1195 CZ PHE A 78 -3.754 -7.802 0.323 1.00 0.00 C ATOM 0 H PHE A 78 -5.580 -7.449 -4.382 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.932 -8.296 -2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.636 -5.656 -2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.700 -6.374 -1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.031 -7.971 -0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.048 -6.056 -2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.311 -8.737 1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.397 -6.880 -0.757 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.980 -8.156 0.988 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.283 -6.323 -3.682 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.244 -5.573 -4.470 1.00 0.00 C ATOM 1207 C LYS A 79 -11.080 -4.689 -3.574 1.00 0.00 C ATOM 1208 O LYS A 79 -10.495 -3.972 -2.769 1.00 0.00 O ATOM 1209 CB LYS A 79 -10.961 -6.674 -5.248 1.00 0.00 C ATOM 1210 CG LYS A 79 -11.468 -6.384 -6.655 1.00 0.00 C ATOM 1211 CD LYS A 79 -12.890 -5.802 -6.780 1.00 0.00 C ATOM 1212 CE LYS A 79 -13.318 -5.527 -8.218 1.00 0.00 C ATOM 1213 NZ LYS A 79 -14.675 -6.003 -8.528 1.00 0.00 N ATOM 0 H LYS A 79 -9.474 -6.413 -2.684 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.840 -4.842 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.282 -7.524 -5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.815 -6.993 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.775 -5.689 -7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.430 -7.311 -7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.598 -6.496 -6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.944 -4.874 -6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.266 -4.454 -8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.611 -6.004 -8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.895 -5.800 -9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.729 -7.029 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.361 -5.518 -7.916 1.00 0.00 H new ATOM 1227 N ARG A 80 -12.409 -4.802 -3.777 1.00 0.00 N ATOM 1228 CA ARG A 80 -13.378 -4.051 -3.050 1.00 0.00 C ATOM 1229 C ARG A 80 -14.768 -4.214 -3.729 1.00 0.00 C ATOM 1230 O ARG A 80 -14.911 -3.567 -4.766 1.00 0.00 O ATOM 1231 CB ARG A 80 -13.105 -2.534 -2.968 1.00 0.00 C ATOM 1232 CG ARG A 80 -13.884 -1.862 -1.848 1.00 0.00 C ATOM 1233 CD ARG A 80 -13.420 -0.403 -1.718 1.00 0.00 C ATOM 1234 NE ARG A 80 -14.291 0.274 -0.778 1.00 0.00 N ATOM 1235 CZ ARG A 80 -13.924 1.420 -0.213 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -12.766 2.044 -0.435 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -14.825 1.955 0.648 1.00 0.00 N ATOM 0 H ARG A 80 -12.815 -5.434 -4.467 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.336 -4.449 -2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.039 -2.368 -2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.367 -2.069 -3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.953 -1.899 -2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.725 -2.392 -0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.387 -0.363 -1.373 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.452 0.093 -2.688 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.197 -0.134 -0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.086 1.642 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -12.561 2.923 0.040 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.710 1.479 0.821 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.617 2.834 1.122 1.00 0.00 H new ATOM 1251 N VAL A 81 -15.577 -5.034 -3.081 1.00 0.00 N ATOM 1252 CA VAL A 81 -16.916 -5.363 -3.514 1.00 0.00 C ATOM 1253 C VAL A 81 -17.856 -4.164 -3.658 1.00 0.00 C ATOM 1254 O VAL A 81 -18.980 -4.420 -4.059 1.00 0.00 O ATOM 1255 CB VAL A 81 -17.458 -6.401 -2.545 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -18.648 -7.154 -3.154 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -16.501 -7.579 -2.205 1.00 0.00 C ATOM 0 H VAL A 81 -15.309 -5.501 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.863 -5.758 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.669 -5.792 -1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -19.016 -7.891 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -19.444 -6.447 -3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.330 -7.660 -4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -16.992 -8.256 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -16.250 -8.119 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -15.590 -7.188 -1.752 1.00 0.00 H new ATOM 1267 N ASP A 82 -17.345 -2.987 -3.335 1.00 0.00 N ATOM 1268 CA ASP A 82 -18.144 -1.764 -3.445 1.00 0.00 C ATOM 1269 C ASP A 82 -17.770 -0.953 -4.653 1.00 0.00 C ATOM 1270 O ASP A 82 -18.676 -0.224 -5.102 1.00 0.00 O ATOM 1271 CB ASP A 82 -17.847 -0.919 -2.180 1.00 0.00 C ATOM 1272 CG ASP A 82 -19.021 -0.867 -1.221 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -19.996 -0.244 -1.651 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -19.048 -1.383 -0.120 1.00 0.00 O ATOM 0 H ASP A 82 -16.393 -2.846 -2.998 1.00 0.00 H new ATOM 0 HA ASP A 82 -19.197 -2.031 -3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.981 -1.335 -1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.583 0.095 -2.479 1.00 0.00 H new ATOM 1279 N ASN A 83 -16.518 -1.037 -5.173 1.00 0.00 N ATOM 1280 CA ASN A 83 -16.244 -0.232 -6.317 1.00 0.00 C ATOM 1281 C ASN A 83 -15.754 -0.903 -7.579 1.00 0.00 C ATOM 1282 O ASN A 83 -15.523 -0.111 -8.521 1.00 0.00 O ATOM 1283 CB ASN A 83 -15.059 0.696 -5.896 1.00 0.00 C ATOM 1284 CG ASN A 83 -15.245 2.100 -6.426 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -16.114 2.451 -7.196 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -14.335 2.948 -5.955 1.00 0.00 N ATOM 0 H ASN A 83 -15.755 -1.618 -4.827 1.00 0.00 H new ATOM 0 HA ASN A 83 -17.204 0.216 -6.572 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -14.984 0.722 -4.809 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.122 0.285 -6.271 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.354 3.927 -6.240 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -13.618 2.619 -5.309 1.00 0.00 H new ATOM 1293 N GLY A 84 -15.601 -2.228 -7.640 1.00 0.00 N ATOM 1294 CA GLY A 84 -15.116 -2.729 -8.942 1.00 0.00 C ATOM 1295 C GLY A 84 -13.681 -2.123 -8.971 1.00 0.00 C ATOM 1296 O GLY A 84 -13.148 -1.655 -9.946 1.00 0.00 O ATOM 0 H GLY A 84 -15.779 -2.911 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -15.106 -3.818 -8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.729 -2.380 -9.773 1.00 0.00 H new ATOM 1300 N LYS A 85 -13.207 -2.227 -7.721 1.00 0.00 N ATOM 1301 CA LYS A 85 -11.919 -1.741 -7.410 1.00 0.00 C ATOM 1302 C LYS A 85 -10.683 -2.485 -7.845 1.00 0.00 C ATOM 1303 O LYS A 85 -10.138 -2.026 -8.861 1.00 0.00 O ATOM 1304 CB LYS A 85 -11.880 -1.825 -5.847 1.00 0.00 C ATOM 1305 CG LYS A 85 -10.533 -1.371 -5.317 1.00 0.00 C ATOM 1306 CD LYS A 85 -10.475 0.164 -5.418 1.00 0.00 C ATOM 1307 CE LYS A 85 -10.668 0.914 -4.127 1.00 0.00 C ATOM 1308 NZ LYS A 85 -9.583 1.925 -4.016 1.00 0.00 N ATOM 0 H LYS A 85 -13.714 -2.643 -6.940 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.847 -0.787 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.670 -1.204 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.075 -2.849 -5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.403 -1.690 -4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.725 -1.822 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.510 0.445 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.238 0.492 -6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.644 1.399 -4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.638 0.229 -3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.694 2.458 -3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.660 1.445 -4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.635 2.580 -4.822 1.00 0.00 H new ATOM 1322 N GLU A 86 -10.288 -3.534 -7.106 1.00 0.00 N ATOM 1323 CA GLU A 86 -9.091 -4.205 -7.515 1.00 0.00 C ATOM 1324 C GLU A 86 -7.848 -3.382 -7.051 1.00 0.00 C ATOM 1325 O GLU A 86 -7.559 -2.410 -7.707 1.00 0.00 O ATOM 1326 CB GLU A 86 -8.935 -4.556 -8.969 1.00 0.00 C ATOM 1327 CG GLU A 86 -10.246 -5.053 -9.656 1.00 0.00 C ATOM 1328 CD GLU A 86 -10.195 -6.457 -10.183 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -9.535 -6.703 -11.199 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -10.812 -7.344 -9.592 1.00 0.00 O ATOM 0 H GLU A 86 -10.758 -3.902 -6.279 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.172 -5.176 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.568 -3.680 -9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.173 -5.330 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.064 -4.980 -8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.484 -4.380 -10.480 1.00 0.00 H new ATOM 1337 N LEU A 87 -7.331 -3.939 -5.977 1.00 0.00 N ATOM 1338 CA LEU A 87 -6.145 -3.417 -5.283 1.00 0.00 C ATOM 1339 C LEU A 87 -5.125 -4.536 -5.142 1.00 0.00 C ATOM 1340 O LEU A 87 -4.582 -4.790 -4.108 1.00 0.00 O ATOM 1341 CB LEU A 87 -6.493 -2.695 -3.977 1.00 0.00 C ATOM 1342 CG LEU A 87 -5.396 -1.710 -3.499 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -5.722 -0.337 -4.130 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -5.228 -1.555 -2.004 1.00 0.00 C ATOM 0 H LEU A 87 -7.718 -4.778 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.685 -2.631 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.426 -2.148 -4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.668 -3.437 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.442 -2.129 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.974 0.393 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.716 -0.425 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.707 -0.009 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.431 -0.840 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.160 -1.194 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.972 -2.519 -1.565 1.00 0.00 H new ATOM 1356 N ILE A 88 -5.002 -5.111 -6.340 1.00 0.00 N ATOM 1357 CA ILE A 88 -4.086 -6.230 -6.471 1.00 0.00 C ATOM 1358 C ILE A 88 -2.684 -5.596 -6.238 1.00 0.00 C ATOM 1359 O ILE A 88 -2.616 -4.473 -6.658 1.00 0.00 O ATOM 1360 CB ILE A 88 -4.217 -6.723 -7.905 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.671 -7.142 -8.198 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -3.324 -7.858 -8.305 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -5.936 -7.688 -9.615 1.00 0.00 C ATOM 0 H ILE A 88 -5.498 -4.835 -7.188 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.265 -7.061 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.899 -5.864 -8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.963 -7.903 -7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.318 -6.281 -8.033 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.511 -8.118 -9.347 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.282 -7.560 -8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.529 -8.722 -7.673 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.989 -7.952 -9.712 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.683 -6.926 -10.352 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.323 -8.573 -9.784 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.897 -6.458 -5.625 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.532 -6.138 -5.278 1.00 0.00 C ATOM 1377 C ALA A 89 0.323 -6.970 -6.225 1.00 0.00 C ATOM 1378 O ALA A 89 0.399 -8.160 -6.001 1.00 0.00 O ATOM 1379 CB ALA A 89 -0.197 -6.436 -3.801 1.00 0.00 C ATOM 0 H ALA A 89 -2.188 -7.398 -5.355 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.347 -5.069 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.843 -6.174 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.848 -5.848 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.348 -7.497 -3.600 1.00 0.00 H new ATOM 1385 N VAL A 90 0.887 -6.268 -7.198 1.00 0.00 N ATOM 1386 CA VAL A 90 1.717 -6.962 -8.140 1.00 0.00 C ATOM 1387 C VAL A 90 3.156 -6.648 -7.697 1.00 0.00 C ATOM 1388 O VAL A 90 3.613 -5.549 -8.022 1.00 0.00 O ATOM 1389 CB VAL A 90 1.600 -6.461 -9.584 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.875 -6.845 -10.356 1.00 0.00 C ATOM 1391 CG2 VAL A 90 0.498 -7.085 -10.392 1.00 0.00 C ATOM 0 H VAL A 90 0.786 -5.264 -7.344 1.00 0.00 H new ATOM 0 HA VAL A 90 1.426 -8.013 -8.143 1.00 0.00 H new ATOM 0 HB VAL A 90 1.416 -5.392 -9.479 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.798 -6.491 -11.384 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.741 -6.387 -9.879 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.990 -7.929 -10.353 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.500 -6.663 -11.397 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.655 -8.162 -10.450 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.461 -6.883 -9.916 1.00 0.00 H new ATOM 1401 N ARG A 91 3.800 -7.602 -6.985 1.00 0.00 N ATOM 1402 CA ARG A 91 5.115 -7.176 -6.652 1.00 0.00 C ATOM 1403 C ARG A 91 6.063 -8.303 -6.377 1.00 0.00 C ATOM 1404 O ARG A 91 5.704 -9.381 -6.022 1.00 0.00 O ATOM 1405 CB ARG A 91 5.086 -6.391 -5.301 1.00 0.00 C ATOM 1406 CG ARG A 91 6.415 -6.018 -4.730 1.00 0.00 C ATOM 1407 CD ARG A 91 7.354 -5.056 -5.488 1.00 0.00 C ATOM 1408 NE ARG A 91 6.703 -4.609 -6.705 1.00 0.00 N ATOM 1409 CZ ARG A 91 7.351 -4.295 -7.829 1.00 0.00 C ATOM 1410 NH1 ARG A 91 8.673 -4.353 -7.965 1.00 0.00 N ATOM 1411 NH2 ARG A 91 6.676 -3.884 -8.927 1.00 0.00 N ATOM 0 H ARG A 91 3.475 -8.521 -6.683 1.00 0.00 H new ATOM 0 HA ARG A 91 5.444 -6.594 -7.513 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.507 -5.479 -5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.553 -6.993 -4.565 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.232 -5.581 -3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.966 -6.944 -4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.601 -4.201 -4.859 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.292 -5.558 -5.727 1.00 0.00 H new ATOM 0 HE ARG A 91 5.686 -4.530 -6.702 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.254 -4.652 -7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.106 -4.099 -8.853 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.659 -3.811 -8.903 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.184 -3.647 -9.779 1.00 0.00 H new ATOM 1425 N GLU A 92 7.307 -7.852 -6.607 1.00 0.00 N ATOM 1426 CA GLU A 92 8.412 -8.762 -6.392 1.00 0.00 C ATOM 1427 C GLU A 92 9.583 -7.795 -6.043 1.00 0.00 C ATOM 1428 O GLU A 92 9.998 -7.147 -6.979 1.00 0.00 O ATOM 1429 CB GLU A 92 8.663 -9.588 -7.611 1.00 0.00 C ATOM 1430 CG GLU A 92 8.075 -8.960 -8.906 1.00 0.00 C ATOM 1431 CD GLU A 92 8.991 -9.333 -10.050 1.00 0.00 C ATOM 1432 OE1 GLU A 92 10.112 -8.833 -10.063 1.00 0.00 O ATOM 1433 OE2 GLU A 92 8.601 -10.103 -10.916 1.00 0.00 O ATOM 0 H GLU A 92 7.553 -6.914 -6.924 1.00 0.00 H new ATOM 0 HA GLU A 92 8.246 -9.500 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.737 -9.724 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.231 -10.578 -7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.066 -9.330 -9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.005 -7.877 -8.809 1.00 0.00 H new ATOM 1440 N ILE A 93 9.920 -7.853 -4.772 1.00 0.00 N ATOM 1441 CA ILE A 93 10.998 -6.997 -4.284 1.00 0.00 C ATOM 1442 C ILE A 93 12.178 -6.954 -5.241 1.00 0.00 C ATOM 1443 O ILE A 93 12.894 -7.938 -5.378 1.00 0.00 O ATOM 1444 CB ILE A 93 11.402 -7.289 -2.840 1.00 0.00 C ATOM 1445 CG1 ILE A 93 12.604 -6.361 -2.549 1.00 0.00 C ATOM 1446 CG2 ILE A 93 11.847 -8.717 -2.580 1.00 0.00 C ATOM 1447 CD1 ILE A 93 12.993 -6.138 -1.096 1.00 0.00 C ATOM 0 H ILE A 93 9.486 -8.458 -4.074 1.00 0.00 H new ATOM 0 HA ILE A 93 10.590 -5.987 -4.259 1.00 0.00 H new ATOM 0 HB ILE A 93 10.530 -7.128 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.472 -6.765 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.391 -5.388 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.114 -8.829 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.034 -9.401 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.713 -8.947 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 93 13.851 -5.467 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.155 -5.695 -0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.253 -7.092 -0.638 1.00 0.00 H new ATOM 1459 N SER A 94 12.278 -5.773 -5.837 1.00 0.00 N ATOM 1460 CA SER A 94 13.379 -5.630 -6.768 1.00 0.00 C ATOM 1461 C SER A 94 14.527 -4.810 -6.276 1.00 0.00 C ATOM 1462 O SER A 94 14.518 -3.583 -6.385 1.00 0.00 O ATOM 1463 CB SER A 94 12.777 -5.056 -8.075 1.00 0.00 C ATOM 1464 OG SER A 94 11.653 -5.721 -8.521 1.00 0.00 O ATOM 0 H SER A 94 11.667 -4.966 -5.708 1.00 0.00 H new ATOM 0 HA SER A 94 13.833 -6.609 -6.921 1.00 0.00 H new ATOM 0 HB2 SER A 94 12.526 -4.007 -7.916 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.537 -5.087 -8.856 1.00 0.00 H new ATOM 0 HG SER A 94 11.373 -6.378 -7.849 1.00 0.00 H new ATOM 1470 N GLY A 95 15.530 -5.481 -5.732 1.00 0.00 N ATOM 1471 CA GLY A 95 16.676 -4.733 -5.239 1.00 0.00 C ATOM 1472 C GLY A 95 16.731 -5.115 -3.740 1.00 0.00 C ATOM 1473 O GLY A 95 16.903 -6.263 -3.386 1.00 0.00 O ATOM 0 H GLY A 95 15.577 -6.494 -5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.592 -5.012 -5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.545 -3.660 -5.376 1.00 0.00 H new ATOM 1477 N ASN A 96 16.560 -4.001 -3.012 1.00 0.00 N ATOM 1478 CA ASN A 96 16.568 -4.079 -1.575 1.00 0.00 C ATOM 1479 C ASN A 96 15.499 -3.068 -1.082 1.00 0.00 C ATOM 1480 O ASN A 96 15.742 -2.276 -0.172 1.00 0.00 O ATOM 1481 CB ASN A 96 17.945 -3.732 -1.044 1.00 0.00 C ATOM 1482 CG ASN A 96 18.650 -2.718 -1.962 1.00 0.00 C ATOM 1483 OD1 ASN A 96 18.399 -1.541 -1.834 1.00 0.00 O ATOM 1484 ND2 ASN A 96 19.496 -3.319 -2.821 1.00 0.00 N ATOM 0 H ASN A 96 16.419 -3.067 -3.397 1.00 0.00 H new ATOM 0 HA ASN A 96 16.338 -5.084 -1.220 1.00 0.00 H new ATOM 0 HB2 ASN A 96 17.858 -3.319 -0.039 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.547 -4.637 -0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 96 20.032 -2.760 -3.484 1.00 0.00 H new ATOM 0 HD22 ASN A 96 19.601 -4.334 -2.808 1.00 0.00 H new ATOM 1491 N GLU A 97 14.391 -3.258 -1.799 1.00 0.00 N ATOM 1492 CA GLU A 97 13.236 -2.422 -1.514 1.00 0.00 C ATOM 1493 C GLU A 97 12.063 -2.880 -2.426 1.00 0.00 C ATOM 1494 O GLU A 97 12.087 -2.699 -3.616 1.00 0.00 O ATOM 1495 CB GLU A 97 13.477 -0.938 -1.444 1.00 0.00 C ATOM 1496 CG GLU A 97 14.458 -0.416 -2.493 1.00 0.00 C ATOM 1497 CD GLU A 97 14.376 -1.152 -3.815 1.00 0.00 C ATOM 1498 OE1 GLU A 97 15.045 -2.155 -4.024 1.00 0.00 O ATOM 1499 OE2 GLU A 97 13.600 -0.658 -4.633 1.00 0.00 O ATOM 0 H GLU A 97 14.273 -3.946 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 97 12.953 -2.587 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.525 -0.420 -1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 97 13.855 -0.688 -0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.266 0.643 -2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.473 -0.498 -2.103 1.00 0.00 H new ATOM 1506 N LEU A 98 11.108 -3.459 -1.685 1.00 0.00 N ATOM 1507 CA LEU A 98 9.881 -3.984 -2.240 1.00 0.00 C ATOM 1508 C LEU A 98 8.900 -2.805 -2.492 1.00 0.00 C ATOM 1509 O LEU A 98 8.338 -2.318 -1.526 1.00 0.00 O ATOM 1510 CB LEU A 98 9.330 -4.953 -1.197 1.00 0.00 C ATOM 1511 CG LEU A 98 8.158 -5.769 -1.744 1.00 0.00 C ATOM 1512 CD1 LEU A 98 8.310 -7.252 -1.424 1.00 0.00 C ATOM 1513 CD2 LEU A 98 6.917 -5.349 -0.946 1.00 0.00 C ATOM 0 H LEU A 98 11.179 -3.571 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 98 10.031 -4.496 -3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.123 -5.627 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.006 -4.396 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 98 8.102 -5.606 -2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.459 -7.800 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.230 -7.628 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.350 -7.389 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.050 -5.906 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.076 -5.560 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.742 -4.282 -1.081 1.00 0.00 H new ATOM 1525 N ILE A 99 8.862 -2.549 -3.807 1.00 0.00 N ATOM 1526 CA ILE A 99 8.062 -1.517 -4.379 1.00 0.00 C ATOM 1527 C ILE A 99 6.630 -1.666 -3.853 1.00 0.00 C ATOM 1528 O ILE A 99 6.420 -0.988 -2.857 1.00 0.00 O ATOM 1529 CB ILE A 99 8.195 -1.601 -5.929 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.688 -1.333 -6.272 1.00 0.00 C ATOM 1531 CG2 ILE A 99 7.439 -0.447 -6.530 1.00 0.00 C ATOM 1532 CD1 ILE A 99 10.333 -0.114 -5.664 1.00 0.00 C ATOM 0 H ILE A 99 9.403 -3.075 -4.493 1.00 0.00 H new ATOM 0 HA ILE A 99 8.390 -0.518 -4.093 1.00 0.00 H new ATOM 0 HB ILE A 99 7.834 -2.563 -6.292 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.265 -2.206 -5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.776 -1.255 -7.356 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.519 -0.486 -7.616 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.390 -0.509 -6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.860 0.491 -6.169 1.00 0.00 H new ATOM 0 HD11 ILE A 99 11.372 -0.052 -5.988 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.798 0.780 -5.986 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.296 -0.187 -4.577 1.00 0.00 H new ATOM 1544 N GLN A 100 5.863 -2.500 -4.566 1.00 0.00 N ATOM 1545 CA GLN A 100 4.469 -2.782 -4.238 1.00 0.00 C ATOM 1546 C GLN A 100 3.662 -1.868 -5.212 1.00 0.00 C ATOM 1547 O GLN A 100 3.390 -0.746 -4.842 1.00 0.00 O ATOM 1548 CB GLN A 100 4.060 -2.505 -2.819 1.00 0.00 C ATOM 1549 CG GLN A 100 4.829 -3.169 -1.683 1.00 0.00 C ATOM 1550 CD GLN A 100 3.938 -3.053 -0.410 1.00 0.00 C ATOM 1551 OE1 GLN A 100 4.186 -2.386 0.566 1.00 0.00 O ATOM 1552 NE2 GLN A 100 2.823 -3.822 -0.558 1.00 0.00 N ATOM 0 H GLN A 100 6.198 -2.998 -5.390 1.00 0.00 H new ATOM 0 HA GLN A 100 4.285 -3.851 -4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.114 -1.427 -2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.013 -2.790 -2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.037 -4.213 -1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.790 -2.679 -1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.684 -4.359 -1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.128 -3.861 0.187 1.00 0.00 H new ATOM 1561 N THR A 101 3.418 -2.560 -6.342 1.00 0.00 N ATOM 1562 CA THR A 101 2.696 -1.982 -7.410 1.00 0.00 C ATOM 1563 C THR A 101 1.255 -2.446 -7.505 1.00 0.00 C ATOM 1564 O THR A 101 0.908 -3.459 -8.045 1.00 0.00 O ATOM 1565 CB THR A 101 3.348 -2.218 -8.781 1.00 0.00 C ATOM 1566 OG1 THR A 101 4.655 -1.724 -8.850 1.00 0.00 O ATOM 1567 CG2 THR A 101 2.511 -1.670 -9.933 1.00 0.00 C ATOM 0 H THR A 101 3.725 -3.519 -6.505 1.00 0.00 H new ATOM 0 HA THR A 101 2.714 -0.920 -7.167 1.00 0.00 H new ATOM 0 HB THR A 101 3.396 -3.301 -8.891 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.162 -2.031 -8.070 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.020 -1.865 -10.877 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.536 -2.158 -9.939 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.378 -0.595 -9.807 1.00 0.00 H new ATOM 1575 N TYR A 102 0.460 -1.563 -6.909 1.00 0.00 N ATOM 1576 CA TYR A 102 -0.951 -1.951 -6.961 1.00 0.00 C ATOM 1577 C TYR A 102 -1.347 -1.848 -8.459 1.00 0.00 C ATOM 1578 O TYR A 102 -1.020 -0.844 -9.045 1.00 0.00 O ATOM 1579 CB TYR A 102 -1.822 -1.007 -6.165 1.00 0.00 C ATOM 1580 CG TYR A 102 -1.414 -0.871 -4.741 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -1.846 -1.650 -3.687 1.00 0.00 C ATOM 1582 CD2 TYR A 102 -0.514 0.126 -4.381 1.00 0.00 C ATOM 1583 CE1 TYR A 102 -1.401 -1.426 -2.421 1.00 0.00 C ATOM 1584 CE2 TYR A 102 -0.104 0.314 -3.101 1.00 0.00 C ATOM 1585 CZ TYR A 102 -0.506 -0.394 -2.211 1.00 0.00 C ATOM 1586 OH TYR A 102 -0.038 -0.151 -0.924 1.00 0.00 O ATOM 0 H TYR A 102 0.712 -0.691 -6.444 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.089 -2.948 -6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.800 -0.024 -6.635 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.853 -1.357 -6.206 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -2.548 -2.450 -3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.126 0.777 -5.151 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.739 -2.040 -1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.592 1.109 -2.876 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.035 -0.988 -0.414 1.00 0.00 H new ATOM 1596 N THR A 103 -2.026 -2.960 -8.859 1.00 0.00 N ATOM 1597 CA THR A 103 -2.517 -3.124 -10.230 1.00 0.00 C ATOM 1598 C THR A 103 -4.021 -2.950 -10.041 1.00 0.00 C ATOM 1599 O THR A 103 -4.798 -3.819 -9.731 1.00 0.00 O ATOM 1600 CB THR A 103 -2.070 -4.452 -10.793 1.00 0.00 C ATOM 1601 OG1 THR A 103 -0.754 -4.446 -11.350 1.00 0.00 O ATOM 1602 CG2 THR A 103 -2.882 -4.995 -11.975 1.00 0.00 C ATOM 0 H THR A 103 -2.238 -3.745 -8.243 1.00 0.00 H new ATOM 0 HA THR A 103 -2.135 -2.420 -10.969 1.00 0.00 H new ATOM 0 HB THR A 103 -2.179 -5.057 -9.893 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.776 -4.844 -12.245 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.467 -5.952 -12.292 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.920 -5.132 -11.671 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.837 -4.288 -12.803 1.00 0.00 H new ATOM 1610 N TYR A 104 -4.367 -1.665 -10.281 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.744 -1.272 -10.163 1.00 0.00 C ATOM 1612 C TYR A 104 -6.480 -0.939 -11.422 1.00 0.00 C ATOM 1613 O TYR A 104 -6.132 0.016 -12.135 1.00 0.00 O ATOM 1614 CB TYR A 104 -5.675 -0.025 -9.225 1.00 0.00 C ATOM 1615 CG TYR A 104 -6.882 0.801 -9.251 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -8.186 0.346 -9.456 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -6.825 2.176 -9.064 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -9.285 1.169 -9.469 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -7.967 2.939 -9.090 1.00 0.00 C ATOM 1620 CZ TYR A 104 -9.067 2.519 -9.267 1.00 0.00 C ATOM 1621 OH TYR A 104 -10.117 3.406 -9.265 1.00 0.00 O ATOM 0 H TYR A 104 -3.720 -0.923 -10.547 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.323 -2.120 -9.796 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.497 -0.360 -8.203 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.821 0.588 -9.513 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.339 -0.712 -9.613 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -5.870 2.652 -8.896 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -10.279 0.778 -9.630 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.859 4.003 -8.938 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.779 4.312 -9.107 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.502 -1.743 -11.667 1.00 0.00 N ATOM 1632 CA GLU A 105 -8.401 -1.683 -12.781 1.00 0.00 C ATOM 1633 C GLU A 105 -7.873 -1.082 -14.068 1.00 0.00 C ATOM 1634 O GLU A 105 -8.647 -0.474 -14.829 1.00 0.00 O ATOM 1635 CB GLU A 105 -9.636 -0.865 -12.325 1.00 0.00 C ATOM 1636 CG GLU A 105 -10.904 -1.577 -12.836 1.00 0.00 C ATOM 1637 CD GLU A 105 -11.839 -0.539 -13.451 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -11.941 0.563 -12.918 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -12.438 -0.908 -14.469 1.00 0.00 O ATOM 0 H GLU A 105 -7.732 -2.510 -11.036 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.611 -2.720 -13.042 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.658 -0.784 -11.238 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.586 0.150 -12.719 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.640 -2.332 -13.576 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.402 -2.095 -12.016 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.555 -1.248 -14.325 1.00 0.00 N ATOM 1647 CA GLY A 106 -6.058 -0.678 -15.548 1.00 0.00 C ATOM 1648 C GLY A 106 -4.811 0.184 -15.379 1.00 0.00 C ATOM 1649 O GLY A 106 -4.210 0.640 -16.352 1.00 0.00 O ATOM 0 H GLY A 106 -5.879 -1.737 -13.738 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -5.836 -1.485 -16.247 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.845 -0.073 -15.999 1.00 0.00 H new ATOM 1653 N VAL A 107 -4.428 0.402 -14.104 1.00 0.00 N ATOM 1654 CA VAL A 107 -3.274 1.197 -13.759 1.00 0.00 C ATOM 1655 C VAL A 107 -2.265 0.379 -12.983 1.00 0.00 C ATOM 1656 O VAL A 107 -2.703 -0.466 -12.225 1.00 0.00 O ATOM 1657 CB VAL A 107 -3.773 2.345 -12.853 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -2.647 3.159 -12.254 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -4.672 3.324 -13.581 1.00 0.00 C ATOM 0 H VAL A 107 -4.924 0.023 -13.297 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.794 1.564 -14.666 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.327 1.829 -12.069 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.062 3.949 -11.628 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.013 2.512 -11.648 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.054 3.603 -13.053 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.990 4.107 -12.893 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.126 3.771 -14.412 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.548 2.799 -13.963 1.00 0.00 H new ATOM 1669 N GLU A 108 -0.986 0.733 -13.277 1.00 0.00 N ATOM 1670 CA GLU A 108 0.090 0.014 -12.600 1.00 0.00 C ATOM 1671 C GLU A 108 0.730 1.089 -11.708 1.00 0.00 C ATOM 1672 O GLU A 108 1.841 1.486 -12.028 1.00 0.00 O ATOM 1673 CB GLU A 108 1.054 -0.630 -13.574 1.00 0.00 C ATOM 1674 CG GLU A 108 1.071 -2.171 -13.389 1.00 0.00 C ATOM 1675 CD GLU A 108 0.300 -2.899 -14.476 1.00 0.00 C ATOM 1676 OE1 GLU A 108 -0.540 -2.319 -15.140 1.00 0.00 O ATOM 1677 OE2 GLU A 108 0.583 -4.102 -14.624 1.00 0.00 O ATOM 0 H GLU A 108 -0.701 1.461 -13.932 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.261 -0.837 -12.016 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.765 -0.384 -14.596 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.056 -0.229 -13.421 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.103 -2.521 -13.384 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.645 -2.421 -12.417 1.00 0.00 H new ATOM 1684 N ALA A 109 -0.075 1.437 -10.669 1.00 0.00 N ATOM 1685 CA ALA A 109 0.472 2.421 -9.820 1.00 0.00 C ATOM 1686 C ALA A 109 1.301 1.903 -8.611 1.00 0.00 C ATOM 1687 O ALA A 109 0.710 1.206 -7.817 1.00 0.00 O ATOM 1688 CB ALA A 109 -0.743 2.981 -9.031 1.00 0.00 C ATOM 0 H ALA A 109 -1.002 1.074 -10.446 1.00 0.00 H new ATOM 0 HA ALA A 109 1.076 3.056 -10.468 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.404 3.756 -8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.466 3.405 -9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.213 2.176 -8.467 1.00 0.00 H new ATOM 1694 N LYS A 110 2.552 2.334 -8.670 1.00 0.00 N ATOM 1695 CA LYS A 110 3.371 1.902 -7.600 1.00 0.00 C ATOM 1696 C LYS A 110 3.715 3.142 -6.774 1.00 0.00 C ATOM 1697 O LYS A 110 3.573 4.280 -7.217 1.00 0.00 O ATOM 1698 CB LYS A 110 4.734 1.322 -8.044 1.00 0.00 C ATOM 1699 CG LYS A 110 4.800 1.309 -9.581 1.00 0.00 C ATOM 1700 CD LYS A 110 6.061 0.655 -10.160 1.00 0.00 C ATOM 1701 CE LYS A 110 6.779 1.541 -11.183 1.00 0.00 C ATOM 1702 NZ LYS A 110 7.702 2.504 -10.547 1.00 0.00 N ATOM 0 H LYS A 110 2.974 2.927 -9.384 1.00 0.00 H new ATOM 0 HA LYS A 110 2.818 1.125 -7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.548 1.922 -7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.858 0.312 -7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.925 0.784 -9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.740 2.335 -9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.747 0.419 -9.347 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.790 -0.289 -10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.337 0.911 -11.876 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.039 2.085 -11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.163 3.080 -11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.168 3.124 -9.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.425 1.987 -10.007 1.00 0.00 H new ATOM 1716 N ARG A 111 4.157 2.731 -5.588 1.00 0.00 N ATOM 1717 CA ARG A 111 4.556 3.766 -4.609 1.00 0.00 C ATOM 1718 C ARG A 111 5.915 3.167 -4.144 1.00 0.00 C ATOM 1719 O ARG A 111 5.949 2.267 -3.314 1.00 0.00 O ATOM 1720 CB ARG A 111 3.534 3.943 -3.523 1.00 0.00 C ATOM 1721 CG ARG A 111 2.204 3.220 -3.803 1.00 0.00 C ATOM 1722 CD ARG A 111 1.105 3.761 -2.885 1.00 0.00 C ATOM 1723 NE ARG A 111 0.631 4.973 -3.499 1.00 0.00 N ATOM 1724 CZ ARG A 111 0.386 6.096 -2.795 1.00 0.00 C ATOM 1725 NH1 ARG A 111 0.532 6.257 -1.497 1.00 0.00 N ATOM 1726 NH2 ARG A 111 -0.050 7.150 -3.501 1.00 0.00 N ATOM 0 H ARG A 111 4.249 1.761 -5.285 1.00 0.00 H new ATOM 0 HA ARG A 111 4.637 4.785 -4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.947 3.575 -2.584 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.338 5.007 -3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.918 3.359 -4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.324 2.148 -3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 111 0.297 3.038 -2.777 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.494 3.957 -1.886 1.00 0.00 H new ATOM 0 HE ARG A 111 0.474 4.983 -4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.862 5.482 -0.921 1.00 0.00 H new ATOM 0 HH12 ARG A 111 0.316 7.156 -1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.177 7.071 -4.510 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.254 8.031 -3.029 1.00 0.00 H new ATOM 1740 N ILE A 112 6.957 3.785 -4.786 1.00 0.00 N ATOM 1741 CA ILE A 112 8.258 3.281 -4.408 1.00 0.00 C ATOM 1742 C ILE A 112 8.483 3.403 -2.886 1.00 0.00 C ATOM 1743 O ILE A 112 8.388 4.503 -2.350 1.00 0.00 O ATOM 1744 CB ILE A 112 9.384 3.816 -5.277 1.00 0.00 C ATOM 1745 CG1 ILE A 112 9.990 5.121 -4.719 1.00 0.00 C ATOM 1746 CG2 ILE A 112 9.036 4.140 -6.710 1.00 0.00 C ATOM 1747 CD1 ILE A 112 11.066 4.877 -3.679 1.00 0.00 C ATOM 0 H ILE A 112 6.913 4.535 -5.476 1.00 0.00 H new ATOM 0 HA ILE A 112 8.276 2.211 -4.618 1.00 0.00 H new ATOM 0 HB ILE A 112 10.074 2.972 -5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 112 10.411 5.700 -5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.196 5.724 -4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.922 4.512 -7.224 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.678 3.240 -7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 112 8.257 4.902 -6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.453 5.832 -3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 112 10.643 4.324 -2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.877 4.299 -4.123 1.00 0.00 H new ATOM 1759 N PHE A 113 8.755 2.191 -2.410 1.00 0.00 N ATOM 1760 CA PHE A 113 9.005 1.984 -1.013 1.00 0.00 C ATOM 1761 C PHE A 113 10.435 1.473 -0.848 1.00 0.00 C ATOM 1762 O PHE A 113 11.042 1.306 -1.897 1.00 0.00 O ATOM 1763 CB PHE A 113 8.091 0.929 -0.378 1.00 0.00 C ATOM 1764 CG PHE A 113 6.708 1.420 -0.192 1.00 0.00 C ATOM 1765 CD1 PHE A 113 6.370 2.788 -0.218 1.00 0.00 C ATOM 1766 CD2 PHE A 113 5.568 0.642 0.021 1.00 0.00 C ATOM 1767 CE1 PHE A 113 5.059 3.207 -0.047 1.00 0.00 C ATOM 1768 CE2 PHE A 113 4.304 1.165 0.186 1.00 0.00 C ATOM 1769 CZ PHE A 113 3.993 2.338 0.162 1.00 0.00 C ATOM 0 H PHE A 113 8.805 1.348 -2.981 1.00 0.00 H new ATOM 0 HA PHE A 113 8.824 2.940 -0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 113 8.076 0.039 -1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.501 0.631 0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.146 3.523 -0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.684 -0.431 0.059 1.00 0.00 H new ATOM 0 HE1 PHE A 113 4.854 4.267 -0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.506 0.457 0.354 1.00 0.00 H new ATOM 0 HZ PHE A 113 2.976 2.678 0.292 1.00 0.00 H new ATOM 1779 N LYS A 114 10.799 1.309 0.436 1.00 0.00 N ATOM 1780 CA LYS A 114 12.138 0.884 0.689 1.00 0.00 C ATOM 1781 C LYS A 114 12.532 0.929 2.165 1.00 0.00 C ATOM 1782 O LYS A 114 12.386 1.815 2.958 1.00 0.00 O ATOM 1783 CB LYS A 114 13.087 1.844 -0.054 1.00 0.00 C ATOM 1784 CG LYS A 114 12.572 3.283 -0.074 1.00 0.00 C ATOM 1785 CD LYS A 114 11.944 3.764 1.234 1.00 0.00 C ATOM 1786 CE LYS A 114 11.193 5.121 1.074 1.00 0.00 C ATOM 1787 NZ LYS A 114 12.040 6.267 1.096 1.00 0.00 N ATOM 0 H LYS A 114 10.208 1.460 1.253 1.00 0.00 H new ATOM 0 HA LYS A 114 12.208 -0.151 0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.067 1.820 0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 114 13.221 1.496 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 114 13.400 3.945 -0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.833 3.377 -0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.248 3.008 1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 114 12.723 3.871 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.642 5.109 0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.457 5.212 1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.465 7.126 0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.548 6.306 2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.727 6.206 0.317 1.00 0.00 H new ATOM 1801 N LYS A 115 13.174 -0.194 2.517 1.00 0.00 N ATOM 1802 CA LYS A 115 13.752 -0.470 3.798 1.00 0.00 C ATOM 1803 C LYS A 115 14.669 0.615 4.288 1.00 0.00 C ATOM 1804 O LYS A 115 14.786 1.762 3.875 1.00 0.00 O ATOM 1805 CB LYS A 115 14.531 -1.797 3.584 1.00 0.00 C ATOM 1806 CG LYS A 115 14.368 -2.694 4.822 1.00 0.00 C ATOM 1807 CD LYS A 115 15.652 -3.532 5.042 1.00 0.00 C ATOM 1808 CE LYS A 115 15.393 -4.987 5.372 1.00 0.00 C ATOM 1809 NZ LYS A 115 16.533 -5.871 5.256 1.00 0.00 N ATOM 0 H LYS A 115 13.300 -0.966 1.862 1.00 0.00 H new ATOM 0 HA LYS A 115 12.982 -0.536 4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 115 14.158 -2.311 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.586 -1.587 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.169 -2.082 5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.511 -3.354 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.266 -3.478 4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.231 -3.085 5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.013 -5.047 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.604 -5.354 4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.248 -6.840 5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.888 -5.853 4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.284 -5.556 5.903 1.00 0.00 H new ATOM 1823 N GLU A 116 15.456 0.202 5.331 1.00 0.00 N ATOM 1824 CA GLU A 116 16.418 1.067 5.968 1.00 0.00 C ATOM 1825 C GLU A 116 17.847 0.635 5.614 1.00 0.00 C ATOM 1826 O GLU A 116 18.377 -0.264 6.241 1.00 0.00 O ATOM 1827 CB GLU A 116 16.161 0.836 7.474 1.00 0.00 C ATOM 1828 CG GLU A 116 16.886 1.722 8.469 1.00 0.00 C ATOM 1829 CD GLU A 116 17.697 0.820 9.439 1.00 0.00 C ATOM 1830 OE1 GLU A 116 18.786 0.446 9.026 1.00 0.00 O ATOM 1831 OE2 GLU A 116 17.177 0.561 10.530 1.00 0.00 O ATOM 1832 OXT GLU A 116 18.425 1.210 4.705 1.00 0.00 O ATOM 0 H GLU A 116 15.418 -0.737 5.727 1.00 0.00 H new ATOM 0 HA GLU A 116 16.319 2.109 5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 116 15.091 0.945 7.650 1.00 0.00 H new ATOM 0 HB3 GLU A 116 16.418 -0.199 7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 116 17.551 2.410 7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 116 16.172 2.329 9.025 1.00 0.00 H new