USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 815 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -50:sc= 1.06 USER MOD Single : A 9 THR OG1 : rot 75:sc= 0.628 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0292 X(o=-0.029,f=-0.36) USER MOD Single : A 26 MET CE :methyl -150:sc= 0 (180deg=-0.0531) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot -99:sc= 0.0592 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 80:sc= -0.542 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.85 K(o=-1.8,f=-4.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= -0.443 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0.03) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0648 K(o=-0.065,f=-0.93) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0443 USER MOD Single : A 109 ASN :FLIP amide:sc=-0.00168 F(o=-1.2,f=-0.0017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.562 -1.488 -0.265 1.00 14.22 N ATOM 2 CA MET A 1 3.852 -0.791 -1.512 1.00 42.23 C ATOM 3 C MET A 1 3.014 -1.352 -2.656 1.00 55.45 C ATOM 4 O MET A 1 3.398 -2.329 -3.299 1.00 21.34 O ATOM 5 CB MET A 1 5.340 -0.905 -1.851 1.00 73.50 C ATOM 6 CG MET A 1 6.228 -0.021 -0.992 1.00 45.31 C ATOM 7 SD MET A 1 7.247 1.100 -1.971 1.00 13.10 S ATOM 8 CE MET A 1 8.833 0.909 -1.162 1.00 45.34 C ATOM 0 H1 MET A 1 4.144 -1.089 0.499 1.00 14.22 H new ATOM 0 H2 MET A 1 2.556 -1.374 -0.029 1.00 14.22 H new ATOM 0 H3 MET A 1 3.779 -2.499 -0.374 1.00 14.22 H new ATOM 0 HA MET A 1 3.596 0.260 -1.379 1.00 42.23 H new ATOM 0 HB2 MET A 1 5.652 -1.943 -1.734 1.00 73.50 H new ATOM 0 HB3 MET A 1 5.487 -0.644 -2.899 1.00 73.50 H new ATOM 0 HG2 MET A 1 5.606 0.560 -0.311 1.00 45.31 H new ATOM 0 HG3 MET A 1 6.873 -0.649 -0.377 1.00 45.31 H new ATOM 0 HE1 MET A 1 9.571 1.542 -1.655 1.00 45.34 H new ATOM 0 HE2 MET A 1 8.745 1.201 -0.116 1.00 45.34 H new ATOM 0 HE3 MET A 1 9.149 -0.132 -1.222 1.00 45.34 H new ATOM 18 N ILE A 2 1.867 -0.727 -2.905 1.00 64.23 N ATOM 19 CA ILE A 2 0.976 -1.164 -3.972 1.00 71.34 C ATOM 20 C ILE A 2 0.605 -0.003 -4.889 1.00 32.42 C ATOM 21 O ILE A 2 -0.524 0.487 -4.884 1.00 54.31 O ATOM 22 CB ILE A 2 -0.313 -1.790 -3.408 1.00 70.51 C ATOM 23 CG1 ILE A 2 -0.934 -0.871 -2.355 1.00 0.23 C ATOM 24 CG2 ILE A 2 -0.021 -3.161 -2.816 1.00 61.23 C ATOM 25 CD1 ILE A 2 -2.437 -0.747 -2.471 1.00 40.55 C ATOM 0 H ILE A 2 1.534 0.083 -2.382 1.00 64.23 H new ATOM 0 HA ILE A 2 1.516 -1.918 -4.545 1.00 71.34 H new ATOM 0 HB ILE A 2 -1.027 -1.912 -4.223 1.00 70.51 H new ATOM 0 HG12 ILE A 2 -0.684 -1.248 -1.363 1.00 0.23 H new ATOM 0 HG13 ILE A 2 -0.488 0.120 -2.441 1.00 0.23 H new ATOM 0 HG21 ILE A 2 -0.942 -3.591 -2.421 1.00 61.23 H new ATOM 0 HG22 ILE A 2 0.381 -3.814 -3.591 1.00 61.23 H new ATOM 0 HG23 ILE A 2 0.707 -3.062 -2.011 1.00 61.23 H new ATOM 0 HD11 ILE A 2 -2.808 -0.080 -1.693 1.00 40.55 H new ATOM 0 HD12 ILE A 2 -2.694 -0.341 -3.449 1.00 40.55 H new ATOM 0 HD13 ILE A 2 -2.893 -1.730 -2.355 1.00 40.55 H new ATOM 37 N PRO A 3 1.576 0.447 -5.696 1.00 64.14 N ATOM 38 CA PRO A 3 1.375 1.554 -6.636 1.00 3.12 C ATOM 39 C PRO A 3 0.456 1.174 -7.792 1.00 0.14 C ATOM 40 O PRO A 3 0.502 0.050 -8.290 1.00 64.51 O ATOM 41 CB PRO A 3 2.788 1.845 -7.149 1.00 73.33 C ATOM 42 CG PRO A 3 3.523 0.560 -6.982 1.00 5.24 C ATOM 43 CD PRO A 3 2.946 -0.091 -5.755 1.00 41.31 C ATOM 0 HA PRO A 3 0.895 2.409 -6.161 1.00 3.12 H new ATOM 0 HB2 PRO A 3 2.773 2.160 -8.192 1.00 73.33 H new ATOM 0 HB3 PRO A 3 3.258 2.647 -6.580 1.00 73.33 H new ATOM 0 HG2 PRO A 3 3.398 -0.078 -7.857 1.00 5.24 H new ATOM 0 HG3 PRO A 3 4.593 0.735 -6.865 1.00 5.24 H new ATOM 0 HD2 PRO A 3 2.948 -1.178 -5.838 1.00 41.31 H new ATOM 0 HD3 PRO A 3 3.516 0.161 -4.861 1.00 41.31 H new ATOM 51 N SER A 4 -0.378 2.119 -8.213 1.00 74.23 N ATOM 52 CA SER A 4 -1.311 1.881 -9.309 1.00 12.42 C ATOM 53 C SER A 4 -2.244 0.719 -8.985 1.00 74.43 C ATOM 54 O SER A 4 -2.669 -0.018 -9.876 1.00 24.33 O ATOM 55 CB SER A 4 -0.548 1.593 -10.603 1.00 30.10 C ATOM 56 OG SER A 4 -1.439 1.384 -11.685 1.00 12.22 O ATOM 0 H SER A 4 -0.427 3.056 -7.813 1.00 74.23 H new ATOM 0 HA SER A 4 -1.912 2.780 -9.443 1.00 12.42 H new ATOM 0 HB2 SER A 4 0.116 2.427 -10.831 1.00 30.10 H new ATOM 0 HB3 SER A 4 0.080 0.712 -10.470 1.00 30.10 H new ATOM 0 HG SER A 4 -2.124 0.734 -11.424 1.00 12.22 H new ATOM 62 N PHE A 5 -2.560 0.560 -7.704 1.00 51.42 N ATOM 63 CA PHE A 5 -3.442 -0.513 -7.261 1.00 52.01 C ATOM 64 C PHE A 5 -2.997 -1.855 -7.835 1.00 40.22 C ATOM 65 O PHE A 5 -3.469 -2.278 -8.890 1.00 33.22 O ATOM 66 CB PHE A 5 -4.885 -0.221 -7.678 1.00 12.32 C ATOM 67 CG PHE A 5 -5.780 0.142 -6.527 1.00 23.20 C ATOM 68 CD1 PHE A 5 -5.871 -0.682 -5.417 1.00 23.03 C ATOM 69 CD2 PHE A 5 -6.530 1.306 -6.556 1.00 10.33 C ATOM 70 CE1 PHE A 5 -6.693 -0.351 -4.356 1.00 24.22 C ATOM 71 CE2 PHE A 5 -7.353 1.643 -5.498 1.00 33.53 C ATOM 72 CZ PHE A 5 -7.436 0.812 -4.397 1.00 43.20 C ATOM 0 H PHE A 5 -2.218 1.161 -6.954 1.00 51.42 H new ATOM 0 HA PHE A 5 -3.389 -0.567 -6.174 1.00 52.01 H new ATOM 0 HB2 PHE A 5 -4.888 0.594 -8.401 1.00 12.32 H new ATOM 0 HB3 PHE A 5 -5.293 -1.096 -8.183 1.00 12.32 H new ATOM 0 HD1 PHE A 5 -5.293 -1.594 -5.380 1.00 23.03 H new ATOM 0 HD2 PHE A 5 -6.471 1.958 -7.415 1.00 10.33 H new ATOM 0 HE1 PHE A 5 -6.754 -1.001 -3.496 1.00 24.22 H new ATOM 0 HE2 PHE A 5 -7.931 2.555 -5.532 1.00 33.53 H new ATOM 0 HZ PHE A 5 -8.081 1.072 -3.570 1.00 43.20 H new ATOM 82 N ALA A 6 -2.084 -2.518 -7.133 1.00 72.33 N ATOM 83 CA ALA A 6 -1.576 -3.812 -7.571 1.00 63.24 C ATOM 84 C ALA A 6 -0.887 -3.701 -8.927 1.00 41.13 C ATOM 85 O ALA A 6 -1.473 -3.980 -9.973 1.00 73.12 O ATOM 86 CB ALA A 6 -2.705 -4.830 -7.633 1.00 12.21 C ATOM 0 H ALA A 6 -1.681 -2.180 -6.259 1.00 72.33 H new ATOM 0 HA ALA A 6 -0.838 -4.149 -6.843 1.00 63.24 H new ATOM 0 HB1 ALA A 6 -2.310 -5.791 -7.962 1.00 12.21 H new ATOM 0 HB2 ALA A 6 -3.151 -4.940 -6.644 1.00 12.21 H new ATOM 0 HB3 ALA A 6 -3.464 -4.489 -8.337 1.00 12.21 H new ATOM 92 N PRO A 7 0.387 -3.283 -8.912 1.00 44.50 N ATOM 93 CA PRO A 7 1.183 -3.125 -10.133 1.00 3.42 C ATOM 94 C PRO A 7 1.528 -4.463 -10.778 1.00 13.24 C ATOM 95 O PRO A 7 2.048 -5.364 -10.121 1.00 42.40 O ATOM 96 CB PRO A 7 2.453 -2.426 -9.640 1.00 41.24 C ATOM 97 CG PRO A 7 2.561 -2.805 -8.204 1.00 2.23 C ATOM 98 CD PRO A 7 1.149 -2.932 -7.702 1.00 25.12 C ATOM 0 HA PRO A 7 0.645 -2.570 -10.901 1.00 3.42 H new ATOM 0 HB2 PRO A 7 3.328 -2.752 -10.202 1.00 41.24 H new ATOM 0 HB3 PRO A 7 2.382 -1.345 -9.760 1.00 41.24 H new ATOM 0 HG2 PRO A 7 3.102 -3.744 -8.088 1.00 2.23 H new ATOM 0 HG3 PRO A 7 3.109 -2.049 -7.641 1.00 2.23 H new ATOM 0 HD2 PRO A 7 1.063 -3.702 -6.935 1.00 25.12 H new ATOM 0 HD3 PRO A 7 0.794 -2.001 -7.260 1.00 25.12 H new ATOM 106 N GLY A 8 1.234 -4.586 -12.069 1.00 12.24 N ATOM 107 CA GLY A 8 1.520 -5.818 -12.780 1.00 52.34 C ATOM 108 C GLY A 8 0.262 -6.530 -13.236 1.00 14.31 C ATOM 109 O GLY A 8 0.277 -7.735 -13.487 1.00 71.30 O ATOM 0 H GLY A 8 0.803 -3.855 -12.635 1.00 12.24 H new ATOM 0 HA2 GLY A 8 2.143 -5.597 -13.647 1.00 52.34 H new ATOM 0 HA3 GLY A 8 2.095 -6.481 -12.134 1.00 52.34 H new ATOM 113 N THR A 9 -0.834 -5.783 -13.342 1.00 24.42 N ATOM 114 CA THR A 9 -2.107 -6.351 -13.767 1.00 41.20 C ATOM 115 C THR A 9 -2.333 -6.138 -15.260 1.00 25.25 C ATOM 116 O THR A 9 -2.143 -5.036 -15.776 1.00 10.13 O ATOM 117 CB THR A 9 -3.285 -5.735 -12.988 1.00 45.55 C ATOM 118 OG1 THR A 9 -2.915 -5.533 -11.620 1.00 31.12 O ATOM 119 CG2 THR A 9 -4.510 -6.632 -13.061 1.00 74.43 C ATOM 0 H THR A 9 -0.865 -4.784 -13.139 1.00 24.42 H new ATOM 0 HA THR A 9 -2.062 -7.420 -13.558 1.00 41.20 H new ATOM 0 HB THR A 9 -3.531 -4.775 -13.443 1.00 45.55 H new ATOM 0 HG1 THR A 9 -2.315 -4.761 -11.554 1.00 31.12 H new ATOM 0 HG21 THR A 9 -5.328 -6.176 -12.504 1.00 74.43 H new ATOM 0 HG22 THR A 9 -4.806 -6.759 -14.102 1.00 74.43 H new ATOM 0 HG23 THR A 9 -4.275 -7.605 -12.629 1.00 74.43 H new ATOM 127 N LEU A 10 -2.739 -7.199 -15.949 1.00 3.24 N ATOM 128 CA LEU A 10 -2.991 -7.128 -17.384 1.00 13.04 C ATOM 129 C LEU A 10 -4.462 -6.836 -17.664 1.00 31.51 C ATOM 130 O LEU A 10 -5.339 -7.634 -17.329 1.00 44.44 O ATOM 131 CB LEU A 10 -2.582 -8.438 -18.059 1.00 24.02 C ATOM 132 CG LEU A 10 -2.420 -8.388 -19.578 1.00 44.14 C ATOM 133 CD1 LEU A 10 -1.591 -9.566 -20.066 1.00 73.41 C ATOM 134 CD2 LEU A 10 -3.780 -8.372 -20.260 1.00 12.33 C ATOM 0 H LEU A 10 -2.901 -8.118 -15.537 1.00 3.24 H new ATOM 0 HA LEU A 10 -2.393 -6.314 -17.793 1.00 13.04 H new ATOM 0 HB2 LEU A 10 -1.639 -8.769 -17.624 1.00 24.02 H new ATOM 0 HB3 LEU A 10 -3.327 -9.196 -17.818 1.00 24.02 H new ATOM 0 HG LEU A 10 -1.895 -7.469 -19.837 1.00 44.14 H new ATOM 0 HD11 LEU A 10 -1.487 -9.513 -21.150 1.00 73.41 H new ATOM 0 HD12 LEU A 10 -0.604 -9.533 -19.604 1.00 73.41 H new ATOM 0 HD13 LEU A 10 -2.087 -10.498 -19.794 1.00 73.41 H new ATOM 0 HD21 LEU A 10 -3.645 -8.336 -21.341 1.00 12.33 H new ATOM 0 HD22 LEU A 10 -4.332 -9.273 -19.993 1.00 12.33 H new ATOM 0 HD23 LEU A 10 -4.340 -7.495 -19.935 1.00 12.33 H new ATOM 146 N VAL A 11 -4.725 -5.689 -18.282 1.00 34.41 N ATOM 147 CA VAL A 11 -6.090 -5.294 -18.611 1.00 3.24 C ATOM 148 C VAL A 11 -6.241 -5.030 -20.105 1.00 24.54 C ATOM 149 O VAL A 11 -5.296 -5.205 -20.874 1.00 60.04 O ATOM 150 CB VAL A 11 -6.511 -4.033 -17.833 1.00 52.21 C ATOM 151 CG1 VAL A 11 -6.727 -4.359 -16.363 1.00 52.12 C ATOM 152 CG2 VAL A 11 -5.472 -2.934 -17.997 1.00 21.11 C ATOM 0 H VAL A 11 -4.012 -5.017 -18.565 1.00 34.41 H new ATOM 0 HA VAL A 11 -6.738 -6.123 -18.325 1.00 3.24 H new ATOM 0 HB VAL A 11 -7.455 -3.673 -18.243 1.00 52.21 H new ATOM 0 HG11 VAL A 11 -7.024 -3.456 -15.830 1.00 52.12 H new ATOM 0 HG12 VAL A 11 -7.511 -5.110 -16.268 1.00 52.12 H new ATOM 0 HG13 VAL A 11 -5.801 -4.745 -15.936 1.00 52.12 H new ATOM 0 HG21 VAL A 11 -5.786 -2.051 -17.441 1.00 21.11 H new ATOM 0 HG22 VAL A 11 -4.512 -3.281 -17.615 1.00 21.11 H new ATOM 0 HG23 VAL A 11 -5.373 -2.682 -19.053 1.00 21.11 H new ATOM 162 N TRP A 12 -7.434 -4.609 -20.508 1.00 21.24 N ATOM 163 CA TRP A 12 -7.709 -4.321 -21.911 1.00 3.13 C ATOM 164 C TRP A 12 -8.041 -2.846 -22.108 1.00 70.15 C ATOM 165 O TRP A 12 -8.839 -2.274 -21.365 1.00 30.14 O ATOM 166 CB TRP A 12 -8.863 -5.189 -22.414 1.00 52.43 C ATOM 167 CG TRP A 12 -8.416 -6.503 -22.980 1.00 40.50 C ATOM 168 CD1 TRP A 12 -7.190 -7.086 -22.828 1.00 53.52 C ATOM 169 CD2 TRP A 12 -9.190 -7.395 -23.789 1.00 44.03 C ATOM 170 NE1 TRP A 12 -7.155 -8.287 -23.494 1.00 55.25 N ATOM 171 CE2 TRP A 12 -8.370 -8.500 -24.091 1.00 42.03 C ATOM 172 CE3 TRP A 12 -10.495 -7.369 -24.286 1.00 73.43 C ATOM 173 CZ2 TRP A 12 -8.815 -9.566 -24.869 1.00 23.15 C ATOM 174 CZ3 TRP A 12 -10.935 -8.428 -25.058 1.00 33.13 C ATOM 175 CH2 TRP A 12 -10.097 -9.515 -25.342 1.00 55.32 C ATOM 0 H TRP A 12 -8.226 -4.459 -19.883 1.00 21.24 H new ATOM 0 HA TRP A 12 -6.813 -4.552 -22.487 1.00 3.13 H new ATOM 0 HB2 TRP A 12 -9.555 -5.372 -21.592 1.00 52.43 H new ATOM 0 HB3 TRP A 12 -9.414 -4.641 -23.178 1.00 52.43 H new ATOM 0 HD1 TRP A 12 -6.369 -6.665 -22.267 1.00 53.52 H new ATOM 0 HE1 TRP A 12 -6.355 -8.918 -23.537 1.00 55.25 H new ATOM 0 HE3 TRP A 12 -11.149 -6.537 -24.071 1.00 73.43 H new ATOM 0 HZ2 TRP A 12 -8.170 -10.403 -25.091 1.00 23.15 H new ATOM 0 HZ3 TRP A 12 -11.942 -8.418 -25.449 1.00 33.13 H new ATOM 0 HH2 TRP A 12 -10.471 -10.328 -25.946 1.00 55.32 H new ATOM 186 N LEU A 13 -7.425 -2.235 -23.115 1.00 33.24 N ATOM 187 CA LEU A 13 -7.657 -0.825 -23.410 1.00 64.43 C ATOM 188 C LEU A 13 -8.328 -0.657 -24.770 1.00 25.13 C ATOM 189 O LEU A 13 -7.758 -1.008 -25.803 1.00 42.23 O ATOM 190 CB LEU A 13 -6.336 -0.055 -23.382 1.00 4.31 C ATOM 191 CG LEU A 13 -6.363 1.298 -22.670 1.00 1.05 C ATOM 192 CD1 LEU A 13 -5.593 1.227 -21.360 1.00 14.23 C ATOM 193 CD2 LEU A 13 -5.792 2.385 -23.568 1.00 3.52 C ATOM 0 H LEU A 13 -6.762 -2.693 -23.740 1.00 33.24 H new ATOM 0 HA LEU A 13 -8.322 -0.423 -22.645 1.00 64.43 H new ATOM 0 HB2 LEU A 13 -5.584 -0.681 -22.902 1.00 4.31 H new ATOM 0 HB3 LEU A 13 -6.009 0.104 -24.410 1.00 4.31 H new ATOM 0 HG LEU A 13 -7.400 1.548 -22.445 1.00 1.05 H new ATOM 0 HD11 LEU A 13 -5.623 2.199 -20.867 1.00 14.23 H new ATOM 0 HD12 LEU A 13 -6.046 0.477 -20.712 1.00 14.23 H new ATOM 0 HD13 LEU A 13 -4.557 0.954 -21.561 1.00 14.23 H new ATOM 0 HD21 LEU A 13 -5.819 3.341 -23.045 1.00 3.52 H new ATOM 0 HD22 LEU A 13 -4.761 2.141 -23.824 1.00 3.52 H new ATOM 0 HD23 LEU A 13 -6.386 2.453 -24.479 1.00 3.52 H new ATOM 205 N LYS A 14 -9.541 -0.116 -24.762 1.00 31.22 N ATOM 206 CA LYS A 14 -10.290 0.103 -25.994 1.00 23.13 C ATOM 207 C LYS A 14 -10.316 1.584 -26.358 1.00 72.23 C ATOM 208 O LYS A 14 -10.816 2.410 -25.596 1.00 0.42 O ATOM 209 CB LYS A 14 -11.719 -0.423 -25.846 1.00 55.52 C ATOM 210 CG LYS A 14 -12.412 -0.683 -27.173 1.00 3.11 C ATOM 211 CD LYS A 14 -13.297 0.484 -27.578 1.00 71.42 C ATOM 212 CE LYS A 14 -14.767 0.092 -27.584 1.00 1.24 C ATOM 213 NZ LYS A 14 -15.634 1.200 -28.071 1.00 51.13 N ATOM 0 H LYS A 14 -10.027 0.179 -23.915 1.00 31.22 H new ATOM 0 HA LYS A 14 -9.791 -0.441 -26.796 1.00 23.13 H new ATOM 0 HB2 LYS A 14 -11.699 -1.347 -25.269 1.00 55.52 H new ATOM 0 HB3 LYS A 14 -12.305 0.297 -25.275 1.00 55.52 H new ATOM 0 HG2 LYS A 14 -11.664 -0.859 -27.946 1.00 3.11 H new ATOM 0 HG3 LYS A 14 -13.014 -1.589 -27.099 1.00 3.11 H new ATOM 0 HD2 LYS A 14 -13.144 1.315 -26.889 1.00 71.42 H new ATOM 0 HD3 LYS A 14 -13.009 0.834 -28.569 1.00 71.42 H new ATOM 0 HE2 LYS A 14 -14.907 -0.784 -28.218 1.00 1.24 H new ATOM 0 HE3 LYS A 14 -15.071 -0.191 -26.577 1.00 1.24 H new ATOM 0 HZ1 LYS A 14 -16.628 0.894 -28.060 1.00 51.13 H new ATOM 0 HZ2 LYS A 14 -15.520 2.028 -27.452 1.00 51.13 H new ATOM 0 HZ3 LYS A 14 -15.361 1.454 -29.042 1.00 51.13 H new ATOM 227 N GLN A 15 -9.777 1.910 -27.528 1.00 45.32 N ATOM 228 CA GLN A 15 -9.740 3.292 -27.993 1.00 23.11 C ATOM 229 C GLN A 15 -11.123 3.752 -28.442 1.00 3.21 C ATOM 230 O GLN A 15 -12.085 2.985 -28.407 1.00 22.13 O ATOM 231 CB GLN A 15 -8.742 3.439 -29.143 1.00 21.10 C ATOM 232 CG GLN A 15 -7.574 4.357 -28.821 1.00 42.03 C ATOM 233 CD GLN A 15 -6.701 3.821 -27.704 1.00 1.23 C ATOM 234 OE1 GLN A 15 -6.438 2.621 -27.627 1.00 61.30 O ATOM 235 NE2 GLN A 15 -6.246 4.711 -26.829 1.00 61.21 N ATOM 0 H GLN A 15 -9.360 1.237 -28.171 1.00 45.32 H new ATOM 0 HA GLN A 15 -9.420 3.920 -27.162 1.00 23.11 H new ATOM 0 HB2 GLN A 15 -8.357 2.454 -29.407 1.00 21.10 H new ATOM 0 HB3 GLN A 15 -9.264 3.823 -30.019 1.00 21.10 H new ATOM 0 HG2 GLN A 15 -6.968 4.495 -29.716 1.00 42.03 H new ATOM 0 HG3 GLN A 15 -7.955 5.339 -28.540 1.00 42.03 H new ATOM 0 HE21 GLN A 15 -6.489 5.696 -26.931 1.00 61.21 H new ATOM 0 HE22 GLN A 15 -5.654 4.409 -26.055 1.00 61.21 H new ATOM 244 N ASP A 16 -11.215 5.009 -28.863 1.00 65.31 N ATOM 245 CA ASP A 16 -12.480 5.571 -29.320 1.00 0.41 C ATOM 246 C ASP A 16 -12.980 4.844 -30.564 1.00 53.52 C ATOM 247 O ASP A 16 -14.098 4.328 -30.586 1.00 43.23 O ATOM 248 CB ASP A 16 -12.322 7.064 -29.615 1.00 31.12 C ATOM 249 CG ASP A 16 -12.397 7.913 -28.361 1.00 65.20 C ATOM 250 OD1 ASP A 16 -13.341 7.718 -27.567 1.00 60.22 O ATOM 251 OD2 ASP A 16 -11.510 8.772 -28.173 1.00 61.31 O ATOM 0 H ASP A 16 -10.428 5.658 -28.897 1.00 65.31 H new ATOM 0 HA ASP A 16 -13.215 5.441 -28.526 1.00 0.41 H new ATOM 0 HB2 ASP A 16 -11.365 7.235 -30.109 1.00 31.12 H new ATOM 0 HB3 ASP A 16 -13.100 7.378 -30.310 1.00 31.12 H new ATOM 256 N ARG A 17 -12.146 4.809 -31.598 1.00 51.33 N ATOM 257 CA ARG A 17 -12.505 4.148 -32.847 1.00 63.20 C ATOM 258 C ARG A 17 -11.638 2.913 -33.077 1.00 32.05 C ATOM 259 O ARG A 17 -12.011 2.011 -33.827 1.00 20.22 O ATOM 260 CB ARG A 17 -12.355 5.115 -34.023 1.00 5.13 C ATOM 261 CG ARG A 17 -13.680 5.557 -34.621 1.00 71.10 C ATOM 262 CD ARG A 17 -13.481 6.616 -35.694 1.00 75.33 C ATOM 263 NE ARG A 17 -14.314 6.368 -36.868 1.00 61.03 N ATOM 264 CZ ARG A 17 -14.212 7.056 -38.000 1.00 11.21 C ATOM 265 NH1 ARG A 17 -13.318 8.029 -38.110 1.00 21.11 N ATOM 266 NH2 ARG A 17 -15.005 6.771 -39.025 1.00 14.42 N ATOM 0 H ARG A 17 -11.217 5.231 -31.596 1.00 51.33 H new ATOM 0 HA ARG A 17 -13.546 3.833 -32.775 1.00 63.20 H new ATOM 0 HB2 ARG A 17 -11.805 5.995 -33.691 1.00 5.13 H new ATOM 0 HB3 ARG A 17 -11.756 4.639 -34.800 1.00 5.13 H new ATOM 0 HG2 ARG A 17 -14.193 4.696 -35.049 1.00 71.10 H new ATOM 0 HG3 ARG A 17 -14.322 5.951 -33.834 1.00 71.10 H new ATOM 0 HD2 ARG A 17 -13.717 7.598 -35.283 1.00 75.33 H new ATOM 0 HD3 ARG A 17 -12.433 6.638 -35.991 1.00 75.33 H new ATOM 0 HE ARG A 17 -15.012 5.626 -36.816 1.00 61.03 H new ATOM 0 HH11 ARG A 17 -12.706 8.251 -37.324 1.00 21.11 H new ATOM 0 HH12 ARG A 17 -13.242 8.556 -38.980 1.00 21.11 H new ATOM 0 HH21 ARG A 17 -15.694 6.023 -38.944 1.00 14.42 H new ATOM 0 HH22 ARG A 17 -14.926 7.300 -39.894 1.00 14.42 H new ATOM 280 N PHE A 18 -10.480 2.880 -32.426 1.00 0.02 N ATOM 281 CA PHE A 18 -9.559 1.757 -32.560 1.00 15.01 C ATOM 282 C PHE A 18 -10.017 0.574 -31.712 1.00 15.12 C ATOM 283 O PHE A 18 -10.760 0.724 -30.741 1.00 41.12 O ATOM 284 CB PHE A 18 -8.146 2.177 -32.149 1.00 74.44 C ATOM 285 CG PHE A 18 -7.195 2.288 -33.306 1.00 5.21 C ATOM 286 CD1 PHE A 18 -5.919 1.752 -33.225 1.00 14.31 C ATOM 287 CD2 PHE A 18 -7.575 2.930 -34.474 1.00 23.43 C ATOM 288 CE1 PHE A 18 -5.041 1.853 -34.287 1.00 70.14 C ATOM 289 CE2 PHE A 18 -6.701 3.033 -35.540 1.00 21.15 C ATOM 290 CZ PHE A 18 -5.432 2.495 -35.446 1.00 12.11 C ATOM 0 H PHE A 18 -10.157 3.618 -31.800 1.00 0.02 H new ATOM 0 HA PHE A 18 -9.550 1.450 -33.606 1.00 15.01 H new ATOM 0 HB2 PHE A 18 -8.196 3.137 -31.636 1.00 74.44 H new ATOM 0 HB3 PHE A 18 -7.754 1.454 -31.434 1.00 74.44 H new ATOM 0 HD1 PHE A 18 -5.608 1.250 -32.321 1.00 14.31 H new ATOM 0 HD2 PHE A 18 -8.565 3.355 -34.552 1.00 23.43 H new ATOM 0 HE1 PHE A 18 -4.050 1.430 -34.211 1.00 70.14 H new ATOM 0 HE2 PHE A 18 -7.010 3.534 -36.446 1.00 21.15 H new ATOM 0 HZ PHE A 18 -4.747 2.576 -36.277 1.00 12.11 H new ATOM 300 N PRO A 19 -9.565 -0.632 -32.086 1.00 53.12 N ATOM 301 CA PRO A 19 -9.915 -1.865 -31.374 1.00 52.42 C ATOM 302 C PRO A 19 -9.268 -1.941 -29.996 1.00 32.35 C ATOM 303 O PRO A 19 -8.355 -1.176 -29.685 1.00 34.13 O ATOM 304 CB PRO A 19 -9.368 -2.967 -32.284 1.00 21.31 C ATOM 305 CG PRO A 19 -8.263 -2.318 -33.043 1.00 60.14 C ATOM 306 CD PRO A 19 -8.677 -0.885 -33.233 1.00 50.01 C ATOM 0 HA PRO A 19 -10.987 -1.939 -31.189 1.00 52.42 H new ATOM 0 HB2 PRO A 19 -9.005 -3.815 -31.704 1.00 21.31 H new ATOM 0 HB3 PRO A 19 -10.139 -3.346 -32.954 1.00 21.31 H new ATOM 0 HG2 PRO A 19 -7.323 -2.383 -32.496 1.00 60.14 H new ATOM 0 HG3 PRO A 19 -8.108 -2.810 -34.003 1.00 60.14 H new ATOM 0 HD2 PRO A 19 -7.817 -0.215 -33.231 1.00 50.01 H new ATOM 0 HD3 PRO A 19 -9.194 -0.738 -34.181 1.00 50.01 H new ATOM 314 N TRP A 20 -9.746 -2.869 -29.174 1.00 11.20 N ATOM 315 CA TRP A 20 -9.213 -3.045 -27.828 1.00 21.22 C ATOM 316 C TRP A 20 -8.001 -3.970 -27.839 1.00 62.03 C ATOM 317 O TRP A 20 -8.059 -5.077 -28.374 1.00 61.30 O ATOM 318 CB TRP A 20 -10.291 -3.608 -26.900 1.00 23.11 C ATOM 319 CG TRP A 20 -10.933 -4.857 -27.424 1.00 51.54 C ATOM 320 CD1 TRP A 20 -10.501 -6.139 -27.243 1.00 21.22 C ATOM 321 CD2 TRP A 20 -12.122 -4.940 -28.218 1.00 31.23 C ATOM 322 NE1 TRP A 20 -11.350 -7.015 -27.876 1.00 25.35 N ATOM 323 CE2 TRP A 20 -12.353 -6.305 -28.480 1.00 44.11 C ATOM 324 CE3 TRP A 20 -13.015 -3.996 -28.730 1.00 15.30 C ATOM 325 CZ2 TRP A 20 -13.438 -6.745 -29.233 1.00 11.22 C ATOM 326 CZ3 TRP A 20 -14.092 -4.434 -29.477 1.00 52.11 C ATOM 327 CH2 TRP A 20 -14.297 -5.798 -29.722 1.00 63.32 C ATOM 0 H TRP A 20 -10.501 -3.511 -29.416 1.00 11.20 H new ATOM 0 HA TRP A 20 -8.898 -2.069 -27.458 1.00 21.22 H new ATOM 0 HB2 TRP A 20 -9.849 -3.817 -25.926 1.00 23.11 H new ATOM 0 HB3 TRP A 20 -11.059 -2.850 -26.746 1.00 23.11 H new ATOM 0 HD1 TRP A 20 -9.621 -6.423 -26.685 1.00 21.22 H new ATOM 0 HE1 TRP A 20 -11.249 -8.030 -27.893 1.00 25.35 H new ATOM 0 HE3 TRP A 20 -12.866 -2.942 -28.545 1.00 15.30 H new ATOM 0 HZ2 TRP A 20 -13.596 -7.796 -29.425 1.00 11.22 H new ATOM 0 HZ3 TRP A 20 -14.788 -3.712 -29.879 1.00 52.11 H new ATOM 0 HH2 TRP A 20 -15.149 -6.108 -30.308 1.00 63.32 H new ATOM 338 N TRP A 21 -6.905 -3.509 -27.247 1.00 32.43 N ATOM 339 CA TRP A 21 -5.679 -4.297 -27.189 1.00 40.02 C ATOM 340 C TRP A 21 -5.225 -4.493 -25.747 1.00 33.41 C ATOM 341 O TRP A 21 -5.529 -3.694 -24.861 1.00 43.43 O ATOM 342 CB TRP A 21 -4.573 -3.616 -27.997 1.00 3.14 C ATOM 343 CG TRP A 21 -4.682 -3.853 -29.472 1.00 73.54 C ATOM 344 CD1 TRP A 21 -4.938 -5.042 -30.094 1.00 71.14 C ATOM 345 CD2 TRP A 21 -4.537 -2.878 -30.510 1.00 72.24 C ATOM 346 NE1 TRP A 21 -4.961 -4.864 -31.457 1.00 22.43 N ATOM 347 CE2 TRP A 21 -4.719 -3.546 -31.738 1.00 4.25 C ATOM 348 CE3 TRP A 21 -4.274 -1.506 -30.523 1.00 1.11 C ATOM 349 CZ2 TRP A 21 -4.643 -2.886 -32.962 1.00 34.45 C ATOM 350 CZ3 TRP A 21 -4.199 -0.853 -31.739 1.00 13.05 C ATOM 351 CH2 TRP A 21 -4.384 -1.543 -32.944 1.00 52.21 C ATOM 0 H TRP A 21 -6.840 -2.594 -26.801 1.00 32.43 H new ATOM 0 HA TRP A 21 -5.885 -5.276 -27.621 1.00 40.02 H new ATOM 0 HB2 TRP A 21 -4.602 -2.543 -27.806 1.00 3.14 H new ATOM 0 HB3 TRP A 21 -3.605 -3.976 -27.649 1.00 3.14 H new ATOM 0 HD1 TRP A 21 -5.099 -5.983 -29.589 1.00 71.14 H new ATOM 0 HE1 TRP A 21 -5.131 -5.595 -32.147 1.00 22.43 H new ATOM 0 HE3 TRP A 21 -4.132 -0.965 -29.599 1.00 1.11 H new ATOM 0 HZ2 TRP A 21 -4.784 -3.416 -33.893 1.00 34.45 H new ATOM 0 HZ3 TRP A 21 -3.994 0.207 -31.760 1.00 13.05 H new ATOM 0 HH2 TRP A 21 -4.321 -1.004 -33.878 1.00 52.21 H new ATOM 362 N PRO A 22 -4.481 -5.582 -25.502 1.00 42.05 N ATOM 363 CA PRO A 22 -3.969 -5.908 -24.168 1.00 0.30 C ATOM 364 C PRO A 22 -2.881 -4.941 -23.713 1.00 30.14 C ATOM 365 O PRO A 22 -2.121 -4.418 -24.527 1.00 31.34 O ATOM 366 CB PRO A 22 -3.394 -7.316 -24.342 1.00 55.34 C ATOM 367 CG PRO A 22 -3.056 -7.410 -25.790 1.00 62.10 C ATOM 368 CD PRO A 22 -4.081 -6.578 -26.510 1.00 62.42 C ATOM 0 HA PRO A 22 -4.746 -5.842 -23.406 1.00 0.30 H new ATOM 0 HB2 PRO A 22 -2.512 -7.463 -23.719 1.00 55.34 H new ATOM 0 HB3 PRO A 22 -4.118 -8.078 -24.054 1.00 55.34 H new ATOM 0 HG2 PRO A 22 -2.049 -7.039 -25.980 1.00 62.10 H new ATOM 0 HG3 PRO A 22 -3.084 -8.445 -26.131 1.00 62.10 H new ATOM 0 HD2 PRO A 22 -3.663 -6.105 -27.398 1.00 62.42 H new ATOM 0 HD3 PRO A 22 -4.928 -7.180 -26.839 1.00 62.42 H new ATOM 376 N GLY A 23 -2.812 -4.708 -22.405 1.00 61.23 N ATOM 377 CA GLY A 23 -1.813 -3.805 -21.865 1.00 10.24 C ATOM 378 C GLY A 23 -1.581 -4.018 -20.382 1.00 0.52 C ATOM 379 O GLY A 23 -2.531 -4.157 -19.611 1.00 41.30 O ATOM 0 H GLY A 23 -3.430 -5.128 -21.711 1.00 61.23 H new ATOM 0 HA2 GLY A 23 -0.874 -3.945 -22.400 1.00 10.24 H new ATOM 0 HA3 GLY A 23 -2.127 -2.776 -22.036 1.00 10.24 H new ATOM 383 N PHE A 24 -0.314 -4.045 -19.981 1.00 13.43 N ATOM 384 CA PHE A 24 0.040 -4.245 -18.580 1.00 50.23 C ATOM 385 C PHE A 24 0.027 -2.921 -17.821 1.00 72.14 C ATOM 386 O PHE A 24 0.645 -1.944 -18.244 1.00 1.01 O ATOM 387 CB PHE A 24 1.420 -4.895 -18.470 1.00 24.45 C ATOM 388 CG PHE A 24 1.738 -5.826 -19.605 1.00 54.55 C ATOM 389 CD1 PHE A 24 0.878 -6.862 -19.930 1.00 71.41 C ATOM 390 CD2 PHE A 24 2.896 -5.663 -20.348 1.00 71.13 C ATOM 391 CE1 PHE A 24 1.167 -7.720 -20.975 1.00 54.10 C ATOM 392 CE2 PHE A 24 3.190 -6.517 -21.395 1.00 33.15 C ATOM 393 CZ PHE A 24 2.325 -7.547 -21.707 1.00 73.55 C ATOM 0 H PHE A 24 0.484 -3.931 -20.606 1.00 13.43 H new ATOM 0 HA PHE A 24 -0.703 -4.906 -18.134 1.00 50.23 H new ATOM 0 HB2 PHE A 24 2.178 -4.113 -18.429 1.00 24.45 H new ATOM 0 HB3 PHE A 24 1.479 -5.446 -17.531 1.00 24.45 H new ATOM 0 HD1 PHE A 24 -0.029 -7.001 -19.360 1.00 71.41 H new ATOM 0 HD2 PHE A 24 3.577 -4.860 -20.107 1.00 71.13 H new ATOM 0 HE1 PHE A 24 0.488 -8.524 -21.218 1.00 54.10 H new ATOM 0 HE2 PHE A 24 4.095 -6.379 -21.968 1.00 33.15 H new ATOM 0 HZ PHE A 24 2.554 -8.217 -22.523 1.00 73.55 H new ATOM 403 N VAL A 25 -0.683 -2.897 -16.698 1.00 33.01 N ATOM 404 CA VAL A 25 -0.778 -1.695 -15.879 1.00 4.43 C ATOM 405 C VAL A 25 0.477 -1.506 -15.033 1.00 50.23 C ATOM 406 O VAL A 25 0.788 -2.330 -14.174 1.00 43.20 O ATOM 407 CB VAL A 25 -2.006 -1.742 -14.951 1.00 31.51 C ATOM 408 CG1 VAL A 25 -2.057 -0.505 -14.068 1.00 55.33 C ATOM 409 CG2 VAL A 25 -3.283 -1.880 -15.766 1.00 14.14 C ATOM 0 H VAL A 25 -1.201 -3.697 -16.334 1.00 33.01 H new ATOM 0 HA VAL A 25 -0.882 -0.854 -16.564 1.00 4.43 H new ATOM 0 HB VAL A 25 -1.918 -2.615 -14.304 1.00 31.51 H new ATOM 0 HG11 VAL A 25 -2.932 -0.557 -13.420 1.00 55.33 H new ATOM 0 HG12 VAL A 25 -1.155 -0.456 -13.458 1.00 55.33 H new ATOM 0 HG13 VAL A 25 -2.121 0.386 -14.693 1.00 55.33 H new ATOM 0 HG21 VAL A 25 -4.141 -1.912 -15.095 1.00 14.14 H new ATOM 0 HG22 VAL A 25 -3.379 -1.028 -16.438 1.00 14.14 H new ATOM 0 HG23 VAL A 25 -3.245 -2.800 -16.350 1.00 14.14 H new ATOM 419 N MET A 26 1.193 -0.415 -15.283 1.00 44.32 N ATOM 420 CA MET A 26 2.414 -0.116 -14.543 1.00 62.52 C ATOM 421 C MET A 26 2.461 1.355 -14.142 1.00 63.53 C ATOM 422 O MET A 26 2.057 2.230 -14.908 1.00 71.51 O ATOM 423 CB MET A 26 3.644 -0.468 -15.383 1.00 12.00 C ATOM 424 CG MET A 26 3.726 -1.940 -15.753 1.00 41.15 C ATOM 425 SD MET A 26 5.415 -2.482 -16.075 1.00 45.33 S ATOM 426 CE MET A 26 5.807 -1.521 -17.536 1.00 35.51 C ATOM 0 H MET A 26 0.949 0.277 -15.992 1.00 44.32 H new ATOM 0 HA MET A 26 2.417 -0.721 -13.636 1.00 62.52 H new ATOM 0 HB2 MET A 26 3.633 0.128 -16.296 1.00 12.00 H new ATOM 0 HB3 MET A 26 4.542 -0.190 -14.832 1.00 12.00 H new ATOM 0 HG2 MET A 26 3.305 -2.538 -14.945 1.00 41.15 H new ATOM 0 HG3 MET A 26 3.115 -2.123 -16.637 1.00 41.15 H new ATOM 0 HE1 MET A 26 6.520 -2.070 -18.152 1.00 35.51 H new ATOM 0 HE2 MET A 26 4.897 -1.340 -18.108 1.00 35.51 H new ATOM 0 HE3 MET A 26 6.243 -0.568 -17.238 1.00 35.51 H new ATOM 436 N ASP A 27 2.957 1.619 -12.939 1.00 13.35 N ATOM 437 CA ASP A 27 3.057 2.985 -12.437 1.00 22.25 C ATOM 438 C ASP A 27 4.382 3.619 -12.848 1.00 62.01 C ATOM 439 O ASP A 27 5.421 2.961 -12.908 1.00 42.21 O ATOM 440 CB ASP A 27 2.921 3.002 -10.913 1.00 53.22 C ATOM 441 CG ASP A 27 4.156 2.469 -10.215 1.00 44.41 C ATOM 442 OD1 ASP A 27 5.138 3.230 -10.083 1.00 1.33 O ATOM 443 OD2 ASP A 27 4.142 1.292 -9.800 1.00 74.22 O ATOM 0 H ASP A 27 3.296 0.906 -12.293 1.00 13.35 H new ATOM 0 HA ASP A 27 2.245 3.567 -12.873 1.00 22.25 H new ATOM 0 HB2 ASP A 27 2.731 4.022 -10.580 1.00 53.22 H new ATOM 0 HB3 ASP A 27 2.057 2.405 -10.622 1.00 53.22 H new ATOM 448 N PRO A 28 4.347 4.928 -13.140 1.00 31.31 N ATOM 449 CA PRO A 28 5.536 5.679 -13.552 1.00 2.34 C ATOM 450 C PRO A 28 6.531 5.861 -12.410 1.00 62.44 C ATOM 451 O PRO A 28 7.743 5.794 -12.615 1.00 5.42 O ATOM 452 CB PRO A 28 4.968 7.033 -13.986 1.00 31.35 C ATOM 453 CG PRO A 28 3.692 7.168 -13.229 1.00 33.21 C ATOM 454 CD PRO A 28 3.143 5.775 -13.090 1.00 23.42 C ATOM 0 HA PRO A 28 6.092 5.164 -14.335 1.00 2.34 H new ATOM 0 HB2 PRO A 28 5.656 7.845 -13.750 1.00 31.35 H new ATOM 0 HB3 PRO A 28 4.795 7.064 -15.062 1.00 31.35 H new ATOM 0 HG2 PRO A 28 3.864 7.619 -12.252 1.00 33.21 H new ATOM 0 HG3 PRO A 28 2.991 7.813 -13.758 1.00 33.21 H new ATOM 0 HD2 PRO A 28 2.601 5.648 -12.153 1.00 23.42 H new ATOM 0 HD3 PRO A 28 2.449 5.534 -13.895 1.00 23.42 H new ATOM 462 N ASP A 29 6.012 6.089 -11.209 1.00 74.24 N ATOM 463 CA ASP A 29 6.855 6.278 -10.035 1.00 11.12 C ATOM 464 C ASP A 29 6.006 6.455 -8.779 1.00 64.24 C ATOM 465 O ASP A 29 6.188 7.410 -8.026 1.00 3.41 O ATOM 466 CB ASP A 29 7.766 7.492 -10.225 1.00 32.12 C ATOM 467 CG ASP A 29 9.115 7.314 -9.557 1.00 30.53 C ATOM 468 OD1 ASP A 29 9.161 7.290 -8.309 1.00 30.13 O ATOM 469 OD2 ASP A 29 10.125 7.197 -10.282 1.00 33.32 O ATOM 0 H ASP A 29 5.011 6.147 -11.023 1.00 74.24 H new ATOM 0 HA ASP A 29 7.471 5.387 -9.913 1.00 11.12 H new ATOM 0 HB2 ASP A 29 7.912 7.670 -11.290 1.00 32.12 H new ATOM 0 HB3 ASP A 29 7.277 8.377 -9.818 1.00 32.12 H new ATOM 474 N GLU A 30 5.079 5.527 -8.563 1.00 11.44 N ATOM 475 CA GLU A 30 4.201 5.583 -7.399 1.00 64.14 C ATOM 476 C GLU A 30 3.335 6.838 -7.431 1.00 55.42 C ATOM 477 O GLU A 30 3.607 7.813 -6.730 1.00 21.43 O ATOM 478 CB GLU A 30 5.024 5.551 -6.110 1.00 24.31 C ATOM 479 CG GLU A 30 5.109 4.172 -5.476 1.00 43.42 C ATOM 480 CD GLU A 30 6.193 4.082 -4.419 1.00 74.00 C ATOM 481 OE1 GLU A 30 6.278 5.001 -3.578 1.00 13.13 O ATOM 482 OE2 GLU A 30 6.955 3.093 -4.433 1.00 0.20 O ATOM 0 H GLU A 30 4.916 4.729 -9.177 1.00 11.44 H new ATOM 0 HA GLU A 30 3.548 4.711 -7.426 1.00 64.14 H new ATOM 0 HB2 GLU A 30 6.032 5.906 -6.324 1.00 24.31 H new ATOM 0 HB3 GLU A 30 4.587 6.245 -5.392 1.00 24.31 H new ATOM 0 HG2 GLU A 30 4.147 3.923 -5.027 1.00 43.42 H new ATOM 0 HG3 GLU A 30 5.301 3.431 -6.252 1.00 43.42 H new ATOM 489 N VAL A 31 2.289 6.808 -8.251 1.00 74.41 N ATOM 490 CA VAL A 31 1.381 7.942 -8.375 1.00 72.31 C ATOM 491 C VAL A 31 0.137 7.747 -7.515 1.00 71.54 C ATOM 492 O VAL A 31 -0.866 8.438 -7.691 1.00 52.30 O ATOM 493 CB VAL A 31 0.951 8.160 -9.838 1.00 63.51 C ATOM 494 CG1 VAL A 31 2.124 8.655 -10.671 1.00 33.11 C ATOM 495 CG2 VAL A 31 0.377 6.877 -10.421 1.00 11.12 C ATOM 0 H VAL A 31 2.050 6.010 -8.840 1.00 74.41 H new ATOM 0 HA VAL A 31 1.924 8.821 -8.029 1.00 72.31 H new ATOM 0 HB VAL A 31 0.173 8.923 -9.860 1.00 63.51 H new ATOM 0 HG11 VAL A 31 1.801 8.803 -11.702 1.00 33.11 H new ATOM 0 HG12 VAL A 31 2.486 9.599 -10.265 1.00 33.11 H new ATOM 0 HG13 VAL A 31 2.926 7.917 -10.645 1.00 33.11 H new ATOM 0 HG21 VAL A 31 0.078 7.049 -11.455 1.00 11.12 H new ATOM 0 HG22 VAL A 31 1.133 6.092 -10.387 1.00 11.12 H new ATOM 0 HG23 VAL A 31 -0.492 6.570 -9.839 1.00 11.12 H new ATOM 505 N ARG A 32 0.210 6.800 -6.585 1.00 51.31 N ATOM 506 CA ARG A 32 -0.911 6.513 -5.698 1.00 3.22 C ATOM 507 C ARG A 32 -0.853 7.388 -4.449 1.00 54.31 C ATOM 508 O ARG A 32 -1.885 7.816 -3.930 1.00 70.45 O ATOM 509 CB ARG A 32 -0.908 5.036 -5.299 1.00 42.31 C ATOM 510 CG ARG A 32 -1.786 4.728 -4.097 1.00 42.23 C ATOM 511 CD ARG A 32 -3.220 5.180 -4.325 1.00 1.04 C ATOM 512 NE ARG A 32 -4.186 4.172 -3.896 1.00 1.01 N ATOM 513 CZ ARG A 32 -5.458 4.442 -3.623 1.00 25.03 C ATOM 514 NH1 ARG A 32 -5.914 5.682 -3.734 1.00 31.24 N ATOM 515 NH2 ARG A 32 -6.275 3.470 -3.238 1.00 55.53 N ATOM 0 H ARG A 32 1.033 6.219 -6.426 1.00 51.31 H new ATOM 0 HA ARG A 32 -1.833 6.736 -6.235 1.00 3.22 H new ATOM 0 HB2 ARG A 32 -1.244 4.439 -6.147 1.00 42.31 H new ATOM 0 HB3 ARG A 32 0.115 4.730 -5.079 1.00 42.31 H new ATOM 0 HG2 ARG A 32 -1.768 3.657 -3.897 1.00 42.23 H new ATOM 0 HG3 ARG A 32 -1.383 5.224 -3.214 1.00 42.23 H new ATOM 0 HD2 ARG A 32 -3.398 6.108 -3.781 1.00 1.04 H new ATOM 0 HD3 ARG A 32 -3.368 5.397 -5.383 1.00 1.04 H new ATOM 0 HE ARG A 32 -3.867 3.208 -3.801 1.00 1.01 H new ATOM 0 HH11 ARG A 32 -5.288 6.431 -4.030 1.00 31.24 H new ATOM 0 HH12 ARG A 32 -6.891 5.887 -3.524 1.00 31.24 H new ATOM 0 HH21 ARG A 32 -5.927 2.515 -3.152 1.00 55.53 H new ATOM 0 HH22 ARG A 32 -7.251 3.678 -3.028 1.00 55.53 H new ATOM 529 N ASP A 33 0.358 7.650 -3.972 1.00 3.13 N ATOM 530 CA ASP A 33 0.551 8.475 -2.784 1.00 75.42 C ATOM 531 C ASP A 33 1.038 9.869 -3.164 1.00 43.21 C ATOM 532 O ASP A 33 0.750 10.847 -2.474 1.00 51.40 O ATOM 533 CB ASP A 33 1.550 7.813 -1.834 1.00 35.41 C ATOM 534 CG ASP A 33 1.072 7.820 -0.395 1.00 3.30 C ATOM 535 OD1 ASP A 33 1.224 6.784 0.286 1.00 13.43 O ATOM 536 OD2 ASP A 33 0.548 8.862 0.050 1.00 2.52 O ATOM 0 H ASP A 33 1.222 7.303 -4.389 1.00 3.13 H new ATOM 0 HA ASP A 33 -0.410 8.571 -2.278 1.00 75.42 H new ATOM 0 HB2 ASP A 33 1.722 6.785 -2.152 1.00 35.41 H new ATOM 0 HB3 ASP A 33 2.507 8.331 -1.899 1.00 35.41 H new ATOM 541 N ILE A 34 1.779 9.952 -4.264 1.00 51.11 N ATOM 542 CA ILE A 34 2.306 11.227 -4.735 1.00 24.30 C ATOM 543 C ILE A 34 1.684 11.620 -6.070 1.00 72.33 C ATOM 544 O ILE A 34 1.954 11.001 -7.101 1.00 15.15 O ATOM 545 CB ILE A 34 3.838 11.179 -4.890 1.00 0.54 C ATOM 546 CG1 ILE A 34 4.488 10.680 -3.598 1.00 32.34 C ATOM 547 CG2 ILE A 34 4.375 12.553 -5.262 1.00 43.21 C ATOM 548 CD1 ILE A 34 4.895 9.224 -3.650 1.00 70.20 C ATOM 0 H ILE A 34 2.028 9.152 -4.845 1.00 51.11 H new ATOM 0 HA ILE A 34 2.047 11.973 -3.983 1.00 24.30 H new ATOM 0 HB ILE A 34 4.086 10.483 -5.692 1.00 0.54 H new ATOM 0 HG12 ILE A 34 5.368 11.287 -3.385 1.00 32.34 H new ATOM 0 HG13 ILE A 34 3.793 10.825 -2.771 1.00 32.34 H new ATOM 0 HG21 ILE A 34 5.459 12.504 -5.368 1.00 43.21 H new ATOM 0 HG22 ILE A 34 3.932 12.874 -6.205 1.00 43.21 H new ATOM 0 HG23 ILE A 34 4.119 13.268 -4.480 1.00 43.21 H new ATOM 0 HD11 ILE A 34 5.349 8.939 -2.701 1.00 70.20 H new ATOM 0 HD12 ILE A 34 4.015 8.607 -3.832 1.00 70.20 H new ATOM 0 HD13 ILE A 34 5.615 9.076 -4.455 1.00 70.20 H new ATOM 560 N THR A 35 0.849 12.655 -6.046 1.00 64.54 N ATOM 561 CA THR A 35 0.188 13.131 -7.255 1.00 5.55 C ATOM 562 C THR A 35 0.747 14.482 -7.690 1.00 75.51 C ATOM 563 O THR A 35 0.433 15.515 -7.097 1.00 62.14 O ATOM 564 CB THR A 35 -1.333 13.260 -7.049 1.00 62.34 C ATOM 565 OG1 THR A 35 -1.920 13.952 -8.157 1.00 2.43 O ATOM 566 CG2 THR A 35 -1.644 14.001 -5.758 1.00 51.21 C ATOM 0 H THR A 35 0.615 13.179 -5.203 1.00 64.54 H new ATOM 0 HA THR A 35 0.380 12.393 -8.033 1.00 5.55 H new ATOM 0 HB THR A 35 -1.755 12.257 -6.983 1.00 62.34 H new ATOM 0 HG1 THR A 35 -2.887 14.029 -8.019 1.00 2.43 H new ATOM 0 HG21 THR A 35 -2.724 14.079 -5.635 1.00 51.21 H new ATOM 0 HG22 THR A 35 -1.221 13.455 -4.914 1.00 51.21 H new ATOM 0 HG23 THR A 35 -1.210 15.000 -5.798 1.00 51.21 H new ATOM 574 N LEU A 36 1.574 14.467 -8.729 1.00 62.20 N ATOM 575 CA LEU A 36 2.176 15.691 -9.245 1.00 40.42 C ATOM 576 C LEU A 36 1.704 15.972 -10.668 1.00 65.14 C ATOM 577 O LEU A 36 1.339 15.066 -11.418 1.00 20.25 O ATOM 578 CB LEU A 36 3.702 15.586 -9.213 1.00 13.23 C ATOM 579 CG LEU A 36 4.399 16.301 -8.055 1.00 23.23 C ATOM 580 CD1 LEU A 36 3.939 15.731 -6.722 1.00 5.44 C ATOM 581 CD2 LEU A 36 5.911 16.189 -8.192 1.00 33.22 C ATOM 0 H LEU A 36 1.843 13.621 -9.231 1.00 62.20 H new ATOM 0 HA LEU A 36 1.862 16.517 -8.608 1.00 40.42 H new ATOM 0 HB2 LEU A 36 3.973 14.531 -9.178 1.00 13.23 H new ATOM 0 HB3 LEU A 36 4.094 15.985 -10.149 1.00 13.23 H new ATOM 0 HG LEU A 36 4.128 17.356 -8.089 1.00 23.23 H new ATOM 0 HD11 LEU A 36 4.445 16.252 -5.909 1.00 5.44 H new ATOM 0 HD12 LEU A 36 2.862 15.863 -6.622 1.00 5.44 H new ATOM 0 HD13 LEU A 36 4.180 14.669 -6.678 1.00 5.44 H new ATOM 0 HD21 LEU A 36 6.391 16.703 -7.359 1.00 33.22 H new ATOM 0 HD22 LEU A 36 6.200 15.138 -8.184 1.00 33.22 H new ATOM 0 HD23 LEU A 36 6.226 16.645 -9.130 1.00 33.22 H new ATOM 593 N PRO A 37 1.714 17.257 -11.053 1.00 30.03 N ATOM 594 CA PRO A 37 1.293 17.687 -12.390 1.00 32.55 C ATOM 595 C PRO A 37 2.274 17.253 -13.474 1.00 12.25 C ATOM 596 O PRO A 37 3.482 17.446 -13.342 1.00 61.50 O ATOM 597 CB PRO A 37 1.260 19.213 -12.278 1.00 34.25 C ATOM 598 CG PRO A 37 2.220 19.533 -11.184 1.00 53.45 C ATOM 599 CD PRO A 37 2.137 18.389 -10.212 1.00 41.40 C ATOM 0 HA PRO A 37 0.338 17.247 -12.678 1.00 32.55 H new ATOM 0 HB2 PRO A 37 1.556 19.685 -13.215 1.00 34.25 H new ATOM 0 HB3 PRO A 37 0.258 19.571 -12.043 1.00 34.25 H new ATOM 0 HG2 PRO A 37 3.232 19.642 -11.573 1.00 53.45 H new ATOM 0 HG3 PRO A 37 1.961 20.475 -10.701 1.00 53.45 H new ATOM 0 HD2 PRO A 37 3.098 18.197 -9.734 1.00 41.40 H new ATOM 0 HD3 PRO A 37 1.419 18.589 -9.416 1.00 41.40 H new ATOM 607 N GLU A 38 1.745 16.668 -14.544 1.00 5.20 N ATOM 608 CA GLU A 38 2.576 16.208 -15.650 1.00 64.32 C ATOM 609 C GLU A 38 1.726 15.911 -16.882 1.00 64.23 C ATOM 610 O GLU A 38 1.867 16.560 -17.918 1.00 14.02 O ATOM 611 CB GLU A 38 3.359 14.957 -15.243 1.00 52.25 C ATOM 612 CG GLU A 38 4.738 14.870 -15.874 1.00 43.34 C ATOM 613 CD GLU A 38 5.715 15.866 -15.280 1.00 24.11 C ATOM 614 OE1 GLU A 38 6.394 15.513 -14.292 1.00 54.22 O ATOM 615 OE2 GLU A 38 5.802 16.997 -15.802 1.00 11.04 O ATOM 0 H GLU A 38 0.746 16.502 -14.668 1.00 5.20 H new ATOM 0 HA GLU A 38 3.279 17.003 -15.898 1.00 64.32 H new ATOM 0 HB2 GLU A 38 3.463 14.941 -14.158 1.00 52.25 H new ATOM 0 HB3 GLU A 38 2.785 14.073 -15.521 1.00 52.25 H new ATOM 0 HG2 GLU A 38 5.130 13.861 -15.745 1.00 43.34 H new ATOM 0 HG3 GLU A 38 4.654 15.044 -16.947 1.00 43.34 H new ATOM 622 N GLY A 39 0.844 14.923 -16.761 1.00 50.45 N ATOM 623 CA GLY A 39 -0.015 14.557 -17.872 1.00 34.41 C ATOM 624 C GLY A 39 -0.164 13.055 -18.019 1.00 11.25 C ATOM 625 O GLY A 39 -1.049 12.579 -18.729 1.00 60.33 O ATOM 0 H GLY A 39 0.709 14.370 -15.914 1.00 50.45 H new ATOM 0 HA2 GLY A 39 -0.999 15.004 -17.730 1.00 34.41 H new ATOM 0 HA3 GLY A 39 0.393 14.971 -18.794 1.00 34.41 H new ATOM 629 N SER A 40 0.705 12.308 -17.346 1.00 30.51 N ATOM 630 CA SER A 40 0.670 10.851 -17.409 1.00 11.10 C ATOM 631 C SER A 40 0.847 10.243 -16.021 1.00 62.21 C ATOM 632 O SER A 40 1.926 10.317 -15.432 1.00 72.31 O ATOM 633 CB SER A 40 1.761 10.334 -18.348 1.00 61.22 C ATOM 634 OG SER A 40 2.831 11.258 -18.445 1.00 52.13 O ATOM 0 H SER A 40 1.442 12.687 -16.751 1.00 30.51 H new ATOM 0 HA SER A 40 -0.304 10.552 -17.796 1.00 11.10 H new ATOM 0 HB2 SER A 40 2.135 9.377 -17.984 1.00 61.22 H new ATOM 0 HB3 SER A 40 1.339 10.156 -19.337 1.00 61.22 H new ATOM 0 HG SER A 40 3.516 10.903 -19.050 1.00 52.13 H new ATOM 640 N ASP A 41 -0.219 9.642 -15.505 1.00 32.10 N ATOM 641 CA ASP A 41 -0.183 9.019 -14.187 1.00 2.32 C ATOM 642 C ASP A 41 -0.130 7.499 -14.305 1.00 41.31 C ATOM 643 O ASP A 41 0.423 6.818 -13.442 1.00 31.34 O ATOM 644 CB ASP A 41 -1.405 9.437 -13.368 1.00 11.31 C ATOM 645 CG ASP A 41 -2.551 8.453 -13.494 1.00 61.32 C ATOM 646 OD1 ASP A 41 -3.025 8.236 -14.629 1.00 61.33 O ATOM 647 OD2 ASP A 41 -2.973 7.898 -12.458 1.00 52.32 O ATOM 0 H ASP A 41 -1.119 9.573 -15.979 1.00 32.10 H new ATOM 0 HA ASP A 41 0.719 9.357 -13.677 1.00 2.32 H new ATOM 0 HB2 ASP A 41 -1.122 9.528 -12.319 1.00 11.31 H new ATOM 0 HB3 ASP A 41 -1.738 10.422 -13.695 1.00 11.31 H new ATOM 652 N VAL A 42 -0.710 6.974 -15.380 1.00 24.23 N ATOM 653 CA VAL A 42 -0.729 5.534 -15.611 1.00 43.43 C ATOM 654 C VAL A 42 0.064 5.168 -16.861 1.00 52.41 C ATOM 655 O VAL A 42 -0.019 5.850 -17.883 1.00 13.13 O ATOM 656 CB VAL A 42 -2.169 5.009 -15.758 1.00 20.54 C ATOM 657 CG1 VAL A 42 -2.166 3.510 -16.021 1.00 54.51 C ATOM 658 CG2 VAL A 42 -2.985 5.339 -14.517 1.00 21.42 C ATOM 0 H VAL A 42 -1.173 7.524 -16.104 1.00 24.23 H new ATOM 0 HA VAL A 42 -0.267 5.067 -14.741 1.00 43.43 H new ATOM 0 HB VAL A 42 -2.633 5.503 -16.612 1.00 20.54 H new ATOM 0 HG11 VAL A 42 -3.192 3.156 -16.122 1.00 54.51 H new ATOM 0 HG12 VAL A 42 -1.619 3.303 -16.941 1.00 54.51 H new ATOM 0 HG13 VAL A 42 -1.685 2.996 -15.189 1.00 54.51 H new ATOM 0 HG21 VAL A 42 -4.000 4.961 -14.638 1.00 21.42 H new ATOM 0 HG22 VAL A 42 -2.526 4.873 -13.645 1.00 21.42 H new ATOM 0 HG23 VAL A 42 -3.015 6.420 -14.378 1.00 21.42 H new ATOM 668 N TRP A 43 0.831 4.088 -16.773 1.00 1.13 N ATOM 669 CA TRP A 43 1.639 3.631 -17.898 1.00 20.44 C ATOM 670 C TRP A 43 1.184 2.254 -18.370 1.00 44.10 C ATOM 671 O TRP A 43 1.385 1.253 -17.682 1.00 44.20 O ATOM 672 CB TRP A 43 3.117 3.587 -17.506 1.00 70.40 C ATOM 673 CG TRP A 43 4.002 4.354 -18.441 1.00 1.33 C ATOM 674 CD1 TRP A 43 3.769 5.598 -18.954 1.00 3.33 C ATOM 675 CD2 TRP A 43 5.260 3.927 -18.975 1.00 30.14 C ATOM 676 NE1 TRP A 43 4.807 5.970 -19.775 1.00 13.15 N ATOM 677 CE2 TRP A 43 5.734 4.963 -19.803 1.00 62.44 C ATOM 678 CE3 TRP A 43 6.033 2.771 -18.832 1.00 12.53 C ATOM 679 CZ2 TRP A 43 6.945 4.874 -20.486 1.00 13.44 C ATOM 680 CZ3 TRP A 43 7.234 2.685 -19.510 1.00 12.33 C ATOM 681 CH2 TRP A 43 7.681 3.732 -20.328 1.00 32.35 C ATOM 0 H TRP A 43 0.911 3.512 -15.935 1.00 1.13 H new ATOM 0 HA TRP A 43 1.509 4.337 -18.718 1.00 20.44 H new ATOM 0 HB2 TRP A 43 3.231 3.988 -16.499 1.00 70.40 H new ATOM 0 HB3 TRP A 43 3.447 2.548 -17.475 1.00 70.40 H new ATOM 0 HD1 TRP A 43 2.898 6.201 -18.745 1.00 3.33 H new ATOM 0 HE1 TRP A 43 4.875 6.853 -20.281 1.00 13.15 H new ATOM 0 HE3 TRP A 43 5.698 1.960 -18.203 1.00 12.53 H new ATOM 0 HZ2 TRP A 43 7.291 5.679 -21.118 1.00 13.44 H new ATOM 0 HZ3 TRP A 43 7.839 1.796 -19.408 1.00 12.33 H new ATOM 0 HH2 TRP A 43 8.625 3.635 -20.844 1.00 32.35 H new ATOM 692 N VAL A 44 0.571 2.210 -19.548 1.00 53.34 N ATOM 693 CA VAL A 44 0.089 0.956 -20.113 1.00 72.52 C ATOM 694 C VAL A 44 1.080 0.391 -21.125 1.00 4.45 C ATOM 695 O VAL A 44 1.323 0.991 -22.172 1.00 51.35 O ATOM 696 CB VAL A 44 -1.279 1.137 -20.798 1.00 21.10 C ATOM 697 CG1 VAL A 44 -1.763 -0.181 -21.382 1.00 64.44 C ATOM 698 CG2 VAL A 44 -2.295 1.699 -19.816 1.00 15.21 C ATOM 0 H VAL A 44 0.396 3.029 -20.130 1.00 53.34 H new ATOM 0 HA VAL A 44 -0.018 0.257 -19.284 1.00 72.52 H new ATOM 0 HB VAL A 44 -1.165 1.849 -21.616 1.00 21.10 H new ATOM 0 HG11 VAL A 44 -2.731 -0.033 -21.862 1.00 64.44 H new ATOM 0 HG12 VAL A 44 -1.044 -0.538 -22.119 1.00 64.44 H new ATOM 0 HG13 VAL A 44 -1.862 -0.918 -20.585 1.00 64.44 H new ATOM 0 HG21 VAL A 44 -3.256 1.821 -20.316 1.00 15.21 H new ATOM 0 HG22 VAL A 44 -2.407 1.013 -18.976 1.00 15.21 H new ATOM 0 HG23 VAL A 44 -1.951 2.667 -19.451 1.00 15.21 H new ATOM 708 N CYS A 45 1.650 -0.765 -20.804 1.00 42.10 N ATOM 709 CA CYS A 45 2.617 -1.411 -21.685 1.00 32.01 C ATOM 710 C CYS A 45 1.948 -2.495 -22.524 1.00 51.32 C ATOM 711 O CYS A 45 1.752 -3.619 -22.062 1.00 63.51 O ATOM 712 CB CYS A 45 3.759 -2.015 -20.867 1.00 43.10 C ATOM 713 SG CYS A 45 4.928 -2.992 -21.841 1.00 21.11 S ATOM 0 H CYS A 45 1.460 -1.274 -19.941 1.00 42.10 H new ATOM 0 HA CYS A 45 3.022 -0.654 -22.357 1.00 32.01 H new ATOM 0 HB2 CYS A 45 4.300 -1.210 -20.369 1.00 43.10 H new ATOM 0 HB3 CYS A 45 3.337 -2.646 -20.085 1.00 43.10 H new ATOM 0 HG CYS A 45 4.642 -4.255 -21.724 1.00 21.11 H new ATOM 719 N CYS A 46 1.598 -2.148 -23.758 1.00 30.31 N ATOM 720 CA CYS A 46 0.948 -3.091 -24.662 1.00 1.04 C ATOM 721 C CYS A 46 1.947 -4.117 -25.187 1.00 50.45 C ATOM 722 O CYS A 46 3.147 -4.020 -24.929 1.00 4.52 O ATOM 723 CB CYS A 46 0.301 -2.346 -25.830 1.00 12.02 C ATOM 724 SG CYS A 46 -1.017 -1.209 -25.341 1.00 34.13 S ATOM 0 H CYS A 46 1.753 -1.221 -24.155 1.00 30.31 H new ATOM 0 HA CYS A 46 0.174 -3.618 -24.104 1.00 1.04 H new ATOM 0 HB2 CYS A 46 1.071 -1.786 -26.361 1.00 12.02 H new ATOM 0 HB3 CYS A 46 -0.104 -3.075 -26.532 1.00 12.02 H new ATOM 0 HG CYS A 46 -1.500 -0.625 -26.397 1.00 34.13 H new ATOM 730 N LEU A 47 1.444 -5.100 -25.925 1.00 72.04 N ATOM 731 CA LEU A 47 2.292 -6.146 -26.487 1.00 53.10 C ATOM 732 C LEU A 47 3.227 -5.577 -27.549 1.00 1.20 C ATOM 733 O LEU A 47 2.954 -4.546 -28.165 1.00 35.34 O ATOM 734 CB LEU A 47 1.432 -7.257 -27.091 1.00 73.33 C ATOM 735 CG LEU A 47 0.875 -6.990 -28.490 1.00 43.02 C ATOM 736 CD1 LEU A 47 0.265 -8.255 -29.073 1.00 23.41 C ATOM 737 CD2 LEU A 47 -0.154 -5.869 -28.450 1.00 24.52 C ATOM 0 H LEU A 47 0.453 -5.195 -26.148 1.00 72.04 H new ATOM 0 HA LEU A 47 2.897 -6.561 -25.681 1.00 53.10 H new ATOM 0 HB2 LEU A 47 2.026 -8.170 -27.127 1.00 73.33 H new ATOM 0 HB3 LEU A 47 0.595 -7.447 -26.419 1.00 73.33 H new ATOM 0 HG LEU A 47 1.698 -6.678 -29.134 1.00 43.02 H new ATOM 0 HD11 LEU A 47 -0.126 -8.045 -30.069 1.00 23.41 H new ATOM 0 HD12 LEU A 47 1.029 -9.030 -29.139 1.00 23.41 H new ATOM 0 HD13 LEU A 47 -0.545 -8.598 -28.430 1.00 23.41 H new ATOM 0 HD21 LEU A 47 -0.539 -5.693 -29.454 1.00 24.52 H new ATOM 0 HD22 LEU A 47 -0.975 -6.152 -27.791 1.00 24.52 H new ATOM 0 HD23 LEU A 47 0.314 -4.958 -28.076 1.00 24.52 H new ATOM 749 N PRO A 48 4.358 -6.264 -27.772 1.00 15.34 N ATOM 750 CA PRO A 48 5.355 -5.847 -28.762 1.00 1.25 C ATOM 751 C PRO A 48 4.856 -6.013 -30.193 1.00 22.22 C ATOM 752 O PRO A 48 4.715 -7.133 -30.685 1.00 11.03 O ATOM 753 CB PRO A 48 6.534 -6.785 -28.494 1.00 23.53 C ATOM 754 CG PRO A 48 5.923 -7.994 -27.873 1.00 60.13 C ATOM 755 CD PRO A 48 4.748 -7.500 -27.075 1.00 25.54 C ATOM 0 HA PRO A 48 5.604 -4.790 -28.670 1.00 1.25 H new ATOM 0 HB2 PRO A 48 7.058 -7.036 -29.416 1.00 23.53 H new ATOM 0 HB3 PRO A 48 7.263 -6.324 -27.828 1.00 23.53 H new ATOM 0 HG2 PRO A 48 5.606 -8.706 -28.635 1.00 60.13 H new ATOM 0 HG3 PRO A 48 6.640 -8.509 -27.234 1.00 60.13 H new ATOM 0 HD2 PRO A 48 3.936 -8.227 -27.062 1.00 25.54 H new ATOM 0 HD3 PRO A 48 5.020 -7.307 -26.037 1.00 25.54 H new ATOM 763 N ARG A 49 4.591 -4.893 -30.856 1.00 44.43 N ATOM 764 CA ARG A 49 4.108 -4.915 -32.231 1.00 75.04 C ATOM 765 C ARG A 49 4.385 -3.585 -32.927 1.00 74.51 C ATOM 766 O ARG A 49 4.617 -3.542 -34.135 1.00 70.23 O ATOM 767 CB ARG A 49 2.608 -5.216 -32.262 1.00 30.10 C ATOM 768 CG ARG A 49 1.736 -3.993 -32.028 1.00 24.13 C ATOM 769 CD ARG A 49 1.746 -3.574 -30.566 1.00 2.20 C ATOM 770 NE ARG A 49 1.041 -2.313 -30.354 1.00 13.15 N ATOM 771 CZ ARG A 49 -0.280 -2.218 -30.249 1.00 32.41 C ATOM 772 NH1 ARG A 49 -1.035 -3.305 -30.336 1.00 62.13 N ATOM 773 NH2 ARG A 49 -0.849 -1.035 -30.056 1.00 62.10 N ATOM 0 H ARG A 49 4.703 -3.958 -30.463 1.00 44.43 H new ATOM 0 HA ARG A 49 4.641 -5.702 -32.764 1.00 75.04 H new ATOM 0 HB2 ARG A 49 2.354 -5.654 -33.227 1.00 30.10 H new ATOM 0 HB3 ARG A 49 2.381 -5.964 -31.503 1.00 30.10 H new ATOM 0 HG2 ARG A 49 2.090 -3.168 -32.647 1.00 24.13 H new ATOM 0 HG3 ARG A 49 0.714 -4.209 -32.339 1.00 24.13 H new ATOM 0 HD2 ARG A 49 1.283 -4.354 -29.962 1.00 2.20 H new ATOM 0 HD3 ARG A 49 2.776 -3.475 -30.224 1.00 2.20 H new ATOM 0 HE ARG A 49 1.593 -1.458 -30.283 1.00 13.15 H new ATOM 0 HH11 ARG A 49 -0.602 -4.216 -30.484 1.00 62.13 H new ATOM 0 HH12 ARG A 49 -2.049 -3.229 -30.255 1.00 62.13 H new ATOM 0 HH21 ARG A 49 -0.272 -0.197 -29.988 1.00 62.10 H new ATOM 0 HH22 ARG A 49 -1.863 -0.964 -29.976 1.00 62.10 H new ATOM 787 N ASP A 50 4.358 -2.504 -32.156 1.00 54.24 N ATOM 788 CA ASP A 50 4.606 -1.173 -32.698 1.00 43.20 C ATOM 789 C ASP A 50 5.922 -0.609 -32.171 1.00 11.43 C ATOM 790 O ASP A 50 6.190 0.587 -32.293 1.00 34.40 O ATOM 791 CB ASP A 50 3.455 -0.231 -32.343 1.00 75.11 C ATOM 792 CG ASP A 50 2.911 0.501 -33.554 1.00 42.23 C ATOM 793 OD1 ASP A 50 1.693 0.773 -33.586 1.00 55.23 O ATOM 794 OD2 ASP A 50 3.705 0.803 -34.470 1.00 13.12 O ATOM 0 H ASP A 50 4.167 -2.523 -31.154 1.00 54.24 H new ATOM 0 HA ASP A 50 4.675 -1.256 -33.783 1.00 43.20 H new ATOM 0 HB2 ASP A 50 2.652 -0.802 -31.877 1.00 75.11 H new ATOM 0 HB3 ASP A 50 3.798 0.496 -31.607 1.00 75.11 H new ATOM 799 N SER A 51 6.739 -1.477 -31.583 1.00 50.20 N ATOM 800 CA SER A 51 8.025 -1.064 -31.032 1.00 73.43 C ATOM 801 C SER A 51 7.832 -0.226 -29.773 1.00 2.54 C ATOM 802 O SER A 51 8.174 0.957 -29.742 1.00 1.50 O ATOM 803 CB SER A 51 8.817 -0.270 -32.072 1.00 3.41 C ATOM 804 OG SER A 51 10.208 -0.327 -31.806 1.00 60.32 O ATOM 0 H SER A 51 6.534 -2.470 -31.476 1.00 50.20 H new ATOM 0 HA SER A 51 8.585 -1.961 -30.767 1.00 73.43 H new ATOM 0 HB2 SER A 51 8.617 -0.668 -33.067 1.00 3.41 H new ATOM 0 HB3 SER A 51 8.486 0.768 -32.071 1.00 3.41 H new ATOM 0 HG SER A 51 10.692 0.187 -32.486 1.00 60.32 H new ATOM 810 N LEU A 52 7.282 -0.846 -28.735 1.00 23.13 N ATOM 811 CA LEU A 52 7.043 -0.158 -27.471 1.00 24.13 C ATOM 812 C LEU A 52 6.009 0.950 -27.641 1.00 32.22 C ATOM 813 O LEU A 52 6.354 2.128 -27.732 1.00 12.53 O ATOM 814 CB LEU A 52 8.350 0.427 -26.931 1.00 34.11 C ATOM 815 CG LEU A 52 8.980 -0.315 -25.752 1.00 3.54 C ATOM 816 CD1 LEU A 52 9.253 -1.765 -26.117 1.00 62.25 C ATOM 817 CD2 LEU A 52 10.262 0.377 -25.311 1.00 65.33 C ATOM 0 H LEU A 52 6.993 -1.824 -28.744 1.00 23.13 H new ATOM 0 HA LEU A 52 6.655 -0.885 -26.758 1.00 24.13 H new ATOM 0 HB2 LEU A 52 9.075 0.457 -27.745 1.00 34.11 H new ATOM 0 HB3 LEU A 52 8.166 1.458 -26.629 1.00 34.11 H new ATOM 0 HG LEU A 52 8.277 -0.299 -24.920 1.00 3.54 H new ATOM 0 HD11 LEU A 52 9.701 -2.276 -25.265 1.00 62.25 H new ATOM 0 HD12 LEU A 52 8.317 -2.256 -26.383 1.00 62.25 H new ATOM 0 HD13 LEU A 52 9.937 -1.804 -26.965 1.00 62.25 H new ATOM 0 HD21 LEU A 52 10.697 -0.164 -24.471 1.00 65.33 H new ATOM 0 HD22 LEU A 52 10.971 0.392 -26.139 1.00 65.33 H new ATOM 0 HD23 LEU A 52 10.037 1.399 -25.007 1.00 65.33 H new ATOM 829 N THR A 53 4.737 0.564 -27.681 1.00 61.13 N ATOM 830 CA THR A 53 3.652 1.524 -27.839 1.00 71.31 C ATOM 831 C THR A 53 3.056 1.906 -26.489 1.00 54.44 C ATOM 832 O THR A 53 1.843 2.081 -26.362 1.00 10.12 O ATOM 833 CB THR A 53 2.535 0.966 -28.741 1.00 60.52 C ATOM 834 OG1 THR A 53 3.023 -0.153 -29.490 1.00 43.02 O ATOM 835 CG2 THR A 53 2.023 2.036 -29.694 1.00 22.43 C ATOM 0 H THR A 53 4.434 -0.407 -27.606 1.00 61.13 H new ATOM 0 HA THR A 53 4.079 2.410 -28.309 1.00 71.31 H new ATOM 0 HB THR A 53 1.711 0.645 -28.104 1.00 60.52 H new ATOM 0 HG1 THR A 53 3.020 -0.952 -28.923 1.00 43.02 H new ATOM 0 HG21 THR A 53 1.235 1.618 -30.321 1.00 22.43 H new ATOM 0 HG22 THR A 53 1.625 2.874 -29.121 1.00 22.43 H new ATOM 0 HG23 THR A 53 2.842 2.384 -30.324 1.00 22.43 H new ATOM 843 N LEU A 54 3.914 2.036 -25.484 1.00 43.01 N ATOM 844 CA LEU A 54 3.472 2.399 -24.142 1.00 40.42 C ATOM 845 C LEU A 54 2.633 3.673 -24.172 1.00 20.14 C ATOM 846 O LEU A 54 3.076 4.709 -24.667 1.00 24.03 O ATOM 847 CB LEU A 54 4.678 2.591 -23.221 1.00 30.32 C ATOM 848 CG LEU A 54 5.742 1.493 -23.271 1.00 13.41 C ATOM 849 CD1 LEU A 54 7.118 2.095 -23.511 1.00 31.42 C ATOM 850 CD2 LEU A 54 5.730 0.680 -21.985 1.00 32.01 C ATOM 0 H LEU A 54 4.920 1.895 -25.573 1.00 43.01 H new ATOM 0 HA LEU A 54 2.854 1.587 -23.757 1.00 40.42 H new ATOM 0 HB2 LEU A 54 5.152 3.540 -23.470 1.00 30.32 H new ATOM 0 HB3 LEU A 54 4.317 2.674 -22.196 1.00 30.32 H new ATOM 0 HG LEU A 54 5.510 0.825 -24.101 1.00 13.41 H new ATOM 0 HD11 LEU A 54 7.863 1.300 -23.544 1.00 31.42 H new ATOM 0 HD12 LEU A 54 7.120 2.633 -24.459 1.00 31.42 H new ATOM 0 HD13 LEU A 54 7.359 2.785 -22.702 1.00 31.42 H new ATOM 0 HD21 LEU A 54 6.493 -0.096 -22.038 1.00 32.01 H new ATOM 0 HD22 LEU A 54 5.937 1.335 -21.139 1.00 32.01 H new ATOM 0 HD23 LEU A 54 4.751 0.218 -21.856 1.00 32.01 H new ATOM 862 N SER A 55 1.419 3.588 -23.636 1.00 44.31 N ATOM 863 CA SER A 55 0.517 4.734 -23.602 1.00 63.43 C ATOM 864 C SER A 55 0.425 5.311 -22.193 1.00 71.21 C ATOM 865 O SER A 55 0.068 4.611 -21.246 1.00 74.01 O ATOM 866 CB SER A 55 -0.874 4.328 -24.092 1.00 13.11 C ATOM 867 OG SER A 55 -1.229 5.038 -25.266 1.00 0.54 O ATOM 0 H SER A 55 1.038 2.738 -23.220 1.00 44.31 H new ATOM 0 HA SER A 55 0.918 5.502 -24.264 1.00 63.43 H new ATOM 0 HB2 SER A 55 -0.894 3.257 -24.291 1.00 13.11 H new ATOM 0 HB3 SER A 55 -1.609 4.521 -23.310 1.00 13.11 H new ATOM 0 HG SER A 55 -2.121 4.759 -25.560 1.00 0.54 H new ATOM 873 N ALA A 56 0.750 6.593 -22.063 1.00 71.12 N ATOM 874 CA ALA A 56 0.702 7.266 -20.771 1.00 41.02 C ATOM 875 C ALA A 56 -0.421 8.296 -20.730 1.00 52.53 C ATOM 876 O ALA A 56 -0.616 9.055 -21.680 1.00 25.32 O ATOM 877 CB ALA A 56 2.039 7.928 -20.471 1.00 30.51 C ATOM 0 H ALA A 56 1.049 7.186 -22.837 1.00 71.12 H new ATOM 0 HA ALA A 56 0.500 6.516 -20.006 1.00 41.02 H new ATOM 0 HB1 ALA A 56 1.989 8.427 -19.503 1.00 30.51 H new ATOM 0 HB2 ALA A 56 2.823 7.171 -20.449 1.00 30.51 H new ATOM 0 HB3 ALA A 56 2.264 8.661 -21.246 1.00 30.51 H new ATOM 883 N ALA A 57 -1.159 8.318 -19.625 1.00 25.32 N ATOM 884 CA ALA A 57 -2.262 9.256 -19.460 1.00 43.01 C ATOM 885 C ALA A 57 -2.546 9.516 -17.985 1.00 20.34 C ATOM 886 O ALA A 57 -2.492 8.602 -17.162 1.00 43.34 O ATOM 887 CB ALA A 57 -3.509 8.731 -20.156 1.00 11.44 C ATOM 0 H ALA A 57 -1.012 7.696 -18.830 1.00 25.32 H new ATOM 0 HA ALA A 57 -1.974 10.202 -19.919 1.00 43.01 H new ATOM 0 HB1 ALA A 57 -4.325 9.441 -20.025 1.00 11.44 H new ATOM 0 HB2 ALA A 57 -3.306 8.604 -21.219 1.00 11.44 H new ATOM 0 HB3 ALA A 57 -3.790 7.771 -19.723 1.00 11.44 H new ATOM 893 N ASN A 58 -2.848 10.768 -17.656 1.00 75.44 N ATOM 894 CA ASN A 58 -3.140 11.147 -16.279 1.00 10.51 C ATOM 895 C ASN A 58 -4.584 11.621 -16.139 1.00 63.30 C ATOM 896 O ASN A 58 -4.927 12.729 -16.551 1.00 73.51 O ATOM 897 CB ASN A 58 -2.184 12.249 -15.818 1.00 45.23 C ATOM 898 CG ASN A 58 -2.489 12.730 -14.413 1.00 21.33 C ATOM 899 OD1 ASN A 58 -3.294 12.129 -13.701 1.00 11.32 O ATOM 900 ND2 ASN A 58 -1.845 13.818 -14.007 1.00 33.03 N ATOM 0 H ASN A 58 -2.897 11.537 -18.324 1.00 75.44 H new ATOM 0 HA ASN A 58 -3.002 10.268 -15.650 1.00 10.51 H new ATOM 0 HB2 ASN A 58 -1.160 11.877 -15.857 1.00 45.23 H new ATOM 0 HB3 ASN A 58 -2.245 13.091 -16.508 1.00 45.23 H new ATOM 0 HD21 ASN A 58 -2.009 14.188 -13.071 1.00 33.03 H new ATOM 0 HD22 ASN A 58 -1.186 14.284 -14.631 1.00 33.03 H new ATOM 907 N SER A 59 -5.424 10.773 -15.554 1.00 55.34 N ATOM 908 CA SER A 59 -6.832 11.103 -15.363 1.00 21.03 C ATOM 909 C SER A 59 -7.478 11.514 -16.682 1.00 73.42 C ATOM 910 O SER A 59 -8.389 12.341 -16.708 1.00 63.00 O ATOM 911 CB SER A 59 -6.979 12.229 -14.338 1.00 3.24 C ATOM 912 OG SER A 59 -8.138 12.047 -13.543 1.00 5.25 O ATOM 0 H SER A 59 -5.155 9.853 -15.204 1.00 55.34 H new ATOM 0 HA SER A 59 -7.341 10.213 -14.991 1.00 21.03 H new ATOM 0 HB2 SER A 59 -6.097 12.260 -13.699 1.00 3.24 H new ATOM 0 HB3 SER A 59 -7.034 13.188 -14.852 1.00 3.24 H new ATOM 0 HG SER A 59 -8.208 12.779 -12.895 1.00 5.25 H new ATOM 918 N GLU A 60 -7.000 10.928 -17.776 1.00 2.42 N ATOM 919 CA GLU A 60 -7.530 11.234 -19.099 1.00 72.02 C ATOM 920 C GLU A 60 -8.149 9.994 -19.737 1.00 33.50 C ATOM 921 O GLU A 60 -9.061 10.094 -20.558 1.00 51.01 O ATOM 922 CB GLU A 60 -6.425 11.787 -20.001 1.00 64.31 C ATOM 923 CG GLU A 60 -6.717 13.177 -20.540 1.00 61.11 C ATOM 924 CD GLU A 60 -5.471 14.035 -20.647 1.00 72.25 C ATOM 925 OE1 GLU A 60 -5.108 14.413 -21.781 1.00 51.20 O ATOM 926 OE2 GLU A 60 -4.859 14.328 -19.599 1.00 74.50 O ATOM 0 H GLU A 60 -6.247 10.239 -17.772 1.00 2.42 H new ATOM 0 HA GLU A 60 -8.307 11.990 -18.985 1.00 72.02 H new ATOM 0 HB2 GLU A 60 -5.490 11.813 -19.441 1.00 64.31 H new ATOM 0 HB3 GLU A 60 -6.277 11.106 -20.839 1.00 64.31 H new ATOM 0 HG2 GLU A 60 -7.180 13.092 -21.523 1.00 61.11 H new ATOM 0 HG3 GLU A 60 -7.439 13.671 -19.889 1.00 61.11 H new ATOM 933 N ASP A 61 -7.647 8.825 -19.354 1.00 3.25 N ATOM 934 CA ASP A 61 -8.150 7.564 -19.887 1.00 4.54 C ATOM 935 C ASP A 61 -9.306 7.040 -19.041 1.00 71.23 C ATOM 936 O ASP A 61 -9.107 6.582 -17.917 1.00 1.44 O ATOM 937 CB ASP A 61 -7.029 6.525 -19.941 1.00 5.55 C ATOM 938 CG ASP A 61 -7.448 5.258 -20.658 1.00 32.40 C ATOM 939 OD1 ASP A 61 -7.520 4.199 -19.999 1.00 61.33 O ATOM 940 OD2 ASP A 61 -7.706 5.324 -21.878 1.00 1.31 O ATOM 0 H ASP A 61 -6.892 8.724 -18.676 1.00 3.25 H new ATOM 0 HA ASP A 61 -8.516 7.745 -20.898 1.00 4.54 H new ATOM 0 HB2 ASP A 61 -6.163 6.955 -20.445 1.00 5.55 H new ATOM 0 HB3 ASP A 61 -6.717 6.278 -18.926 1.00 5.55 H new ATOM 945 N GLU A 62 -10.514 7.111 -19.591 1.00 73.22 N ATOM 946 CA GLU A 62 -11.702 6.645 -18.886 1.00 34.40 C ATOM 947 C GLU A 62 -12.767 6.168 -19.870 1.00 13.42 C ATOM 948 O GLU A 62 -13.947 6.082 -19.531 1.00 41.41 O ATOM 949 CB GLU A 62 -12.269 7.759 -18.004 1.00 32.13 C ATOM 950 CG GLU A 62 -12.611 7.305 -16.594 1.00 44.24 C ATOM 951 CD GLU A 62 -14.044 6.828 -16.466 1.00 54.43 C ATOM 952 OE1 GLU A 62 -14.906 7.641 -16.070 1.00 1.11 O ATOM 953 OE2 GLU A 62 -14.305 5.644 -16.762 1.00 21.42 O ATOM 0 H GLU A 62 -10.696 7.486 -20.522 1.00 73.22 H new ATOM 0 HA GLU A 62 -11.412 5.804 -18.255 1.00 34.40 H new ATOM 0 HB2 GLU A 62 -11.545 8.572 -17.949 1.00 32.13 H new ATOM 0 HB3 GLU A 62 -13.166 8.162 -18.474 1.00 32.13 H new ATOM 0 HG2 GLU A 62 -11.937 6.500 -16.302 1.00 44.24 H new ATOM 0 HG3 GLU A 62 -12.443 8.129 -15.900 1.00 44.24 H new ATOM 960 N GLY A 63 -12.341 5.861 -21.091 1.00 72.32 N ATOM 961 CA GLY A 63 -13.270 5.398 -22.106 1.00 64.11 C ATOM 962 C GLY A 63 -13.769 3.992 -21.838 1.00 3.04 C ATOM 963 O GLY A 63 -14.744 3.802 -21.111 1.00 63.43 O ATOM 0 H GLY A 63 -11.370 5.924 -21.396 1.00 72.32 H new ATOM 0 HA2 GLY A 63 -14.120 6.079 -22.154 1.00 64.11 H new ATOM 0 HA3 GLY A 63 -12.783 5.428 -23.081 1.00 64.11 H new ATOM 967 N GLN A 64 -13.100 3.006 -22.426 1.00 63.21 N ATOM 968 CA GLN A 64 -13.483 1.610 -22.248 1.00 14.42 C ATOM 969 C GLN A 64 -12.291 0.770 -21.803 1.00 44.44 C ATOM 970 O GLN A 64 -11.248 0.760 -22.459 1.00 32.51 O ATOM 971 CB GLN A 64 -14.062 1.049 -23.548 1.00 21.43 C ATOM 972 CG GLN A 64 -15.582 1.032 -23.580 1.00 24.31 C ATOM 973 CD GLN A 64 -16.163 -0.249 -23.014 1.00 12.33 C ATOM 974 OE1 GLN A 64 -15.803 -1.348 -23.437 1.00 14.23 O ATOM 975 NE2 GLN A 64 -17.068 -0.113 -22.051 1.00 63.40 N ATOM 0 H GLN A 64 -12.290 3.148 -23.030 1.00 63.21 H new ATOM 0 HA GLN A 64 -14.245 1.565 -21.470 1.00 14.42 H new ATOM 0 HB2 GLN A 64 -13.696 1.643 -24.385 1.00 21.43 H new ATOM 0 HB3 GLN A 64 -13.693 0.034 -23.692 1.00 21.43 H new ATOM 0 HG2 GLN A 64 -15.963 1.881 -23.013 1.00 24.31 H new ATOM 0 HG3 GLN A 64 -15.921 1.157 -24.608 1.00 24.31 H new ATOM 0 HE21 GLN A 64 -17.337 0.818 -21.731 1.00 63.40 H new ATOM 0 HE22 GLN A 64 -17.494 -0.939 -21.631 1.00 63.40 H new ATOM 984 N ILE A 65 -12.451 0.069 -20.687 1.00 22.35 N ATOM 985 CA ILE A 65 -11.387 -0.775 -20.156 1.00 10.45 C ATOM 986 C ILE A 65 -11.947 -2.078 -19.596 1.00 5.14 C ATOM 987 O ILE A 65 -13.025 -2.098 -19.002 1.00 61.10 O ATOM 988 CB ILE A 65 -10.595 -0.052 -19.050 1.00 22.11 C ATOM 989 CG1 ILE A 65 -9.533 -0.983 -18.462 1.00 23.32 C ATOM 990 CG2 ILE A 65 -11.535 0.442 -17.961 1.00 34.00 C ATOM 991 CD1 ILE A 65 -8.243 -0.279 -18.104 1.00 44.03 C ATOM 0 H ILE A 65 -13.307 0.068 -20.132 1.00 22.35 H new ATOM 0 HA ILE A 65 -10.716 -0.998 -20.986 1.00 10.45 H new ATOM 0 HB ILE A 65 -10.093 0.811 -19.488 1.00 22.11 H new ATOM 0 HG12 ILE A 65 -9.936 -1.462 -17.570 1.00 23.32 H new ATOM 0 HG13 ILE A 65 -9.318 -1.775 -19.180 1.00 23.32 H new ATOM 0 HG21 ILE A 65 -10.960 0.950 -17.187 1.00 34.00 H new ATOM 0 HG22 ILE A 65 -12.257 1.136 -18.391 1.00 34.00 H new ATOM 0 HG23 ILE A 65 -12.062 -0.406 -17.523 1.00 34.00 H new ATOM 0 HD11 ILE A 65 -7.537 -1.000 -17.693 1.00 44.03 H new ATOM 0 HD12 ILE A 65 -7.817 0.177 -18.998 1.00 44.03 H new ATOM 0 HD13 ILE A 65 -8.444 0.494 -17.363 1.00 44.03 H new ATOM 1003 N ARG A 66 -11.205 -3.164 -19.787 1.00 73.30 N ATOM 1004 CA ARG A 66 -11.627 -4.472 -19.301 1.00 21.35 C ATOM 1005 C ARG A 66 -10.558 -5.089 -18.403 1.00 61.00 C ATOM 1006 O ARG A 66 -9.364 -4.857 -18.593 1.00 62.45 O ATOM 1007 CB ARG A 66 -11.922 -5.406 -20.476 1.00 32.34 C ATOM 1008 CG ARG A 66 -13.262 -6.116 -20.368 1.00 11.31 C ATOM 1009 CD ARG A 66 -14.390 -5.264 -20.929 1.00 12.24 C ATOM 1010 NE ARG A 66 -15.701 -5.854 -20.673 1.00 32.25 N ATOM 1011 CZ ARG A 66 -16.844 -5.188 -20.795 1.00 42.00 C ATOM 1012 NH1 ARG A 66 -16.837 -3.916 -21.168 1.00 45.24 N ATOM 1013 NH2 ARG A 66 -17.997 -5.795 -20.544 1.00 50.53 N ATOM 0 H ARG A 66 -10.309 -3.164 -20.275 1.00 73.30 H new ATOM 0 HA ARG A 66 -12.536 -4.338 -18.715 1.00 21.35 H new ATOM 0 HB2 ARG A 66 -11.899 -4.830 -21.401 1.00 32.34 H new ATOM 0 HB3 ARG A 66 -11.130 -6.152 -20.544 1.00 32.34 H new ATOM 0 HG2 ARG A 66 -13.218 -7.063 -20.906 1.00 11.31 H new ATOM 0 HG3 ARG A 66 -13.467 -6.352 -19.324 1.00 11.31 H new ATOM 0 HD2 ARG A 66 -14.348 -4.269 -20.486 1.00 12.24 H new ATOM 0 HD3 ARG A 66 -14.251 -5.141 -22.003 1.00 12.24 H new ATOM 0 HE ARG A 66 -15.741 -6.832 -20.385 1.00 32.25 H new ATOM 0 HH11 ARG A 66 -15.953 -3.446 -21.362 1.00 45.24 H new ATOM 0 HH12 ARG A 66 -17.716 -3.407 -21.261 1.00 45.24 H new ATOM 0 HH21 ARG A 66 -18.006 -6.774 -20.257 1.00 50.53 H new ATOM 0 HH22 ARG A 66 -18.874 -5.283 -20.638 1.00 50.53 H new ATOM 1027 N TYR A 67 -10.995 -5.874 -17.425 1.00 33.02 N ATOM 1028 CA TYR A 67 -10.077 -6.522 -16.496 1.00 44.40 C ATOM 1029 C TYR A 67 -9.708 -7.920 -16.981 1.00 22.42 C ATOM 1030 O TYR A 67 -10.555 -8.811 -17.045 1.00 71.42 O ATOM 1031 CB TYR A 67 -10.700 -6.601 -15.101 1.00 41.14 C ATOM 1032 CG TYR A 67 -11.188 -5.268 -14.580 1.00 30.33 C ATOM 1033 CD1 TYR A 67 -12.547 -4.996 -14.477 1.00 23.14 C ATOM 1034 CD2 TYR A 67 -10.291 -4.281 -14.191 1.00 20.32 C ATOM 1035 CE1 TYR A 67 -12.997 -3.780 -14.001 1.00 55.21 C ATOM 1036 CE2 TYR A 67 -10.733 -3.063 -13.713 1.00 4.21 C ATOM 1037 CZ TYR A 67 -12.087 -2.817 -13.620 1.00 44.31 C ATOM 1038 OH TYR A 67 -12.531 -1.604 -13.146 1.00 4.41 O ATOM 0 H TYR A 67 -11.980 -6.077 -17.255 1.00 33.02 H new ATOM 0 HA TYR A 67 -9.168 -5.923 -16.446 1.00 44.40 H new ATOM 0 HB2 TYR A 67 -11.536 -7.301 -15.124 1.00 41.14 H new ATOM 0 HB3 TYR A 67 -9.964 -7.006 -14.406 1.00 41.14 H new ATOM 0 HD1 TYR A 67 -13.263 -5.748 -14.774 1.00 23.14 H new ATOM 0 HD2 TYR A 67 -9.230 -4.469 -14.264 1.00 20.32 H new ATOM 0 HE1 TYR A 67 -14.057 -3.585 -13.928 1.00 55.21 H new ATOM 0 HE2 TYR A 67 -10.022 -2.307 -13.414 1.00 4.21 H new ATOM 0 HH TYR A 67 -11.762 -1.040 -12.921 1.00 4.41 H new ATOM 1048 N PHE A 68 -8.436 -8.106 -17.320 1.00 55.33 N ATOM 1049 CA PHE A 68 -7.953 -9.395 -17.800 1.00 34.43 C ATOM 1050 C PHE A 68 -7.172 -10.123 -16.710 1.00 3.23 C ATOM 1051 O PHE A 68 -6.460 -9.501 -15.920 1.00 12.24 O ATOM 1052 CB PHE A 68 -7.071 -9.206 -19.036 1.00 33.14 C ATOM 1053 CG PHE A 68 -7.426 -10.122 -20.172 1.00 35.24 C ATOM 1054 CD1 PHE A 68 -8.657 -10.022 -20.801 1.00 65.03 C ATOM 1055 CD2 PHE A 68 -6.530 -11.084 -20.609 1.00 73.23 C ATOM 1056 CE1 PHE A 68 -8.986 -10.863 -21.847 1.00 74.33 C ATOM 1057 CE2 PHE A 68 -6.854 -11.928 -21.655 1.00 14.21 C ATOM 1058 CZ PHE A 68 -8.084 -11.818 -22.274 1.00 34.22 C ATOM 0 H PHE A 68 -7.721 -7.380 -17.271 1.00 55.33 H new ATOM 0 HA PHE A 68 -8.818 -10.001 -18.069 1.00 34.43 H new ATOM 0 HB2 PHE A 68 -7.150 -8.173 -19.375 1.00 33.14 H new ATOM 0 HB3 PHE A 68 -6.030 -9.371 -18.758 1.00 33.14 H new ATOM 0 HD1 PHE A 68 -9.367 -9.279 -20.470 1.00 65.03 H new ATOM 0 HD2 PHE A 68 -5.568 -11.176 -20.127 1.00 73.23 H new ATOM 0 HE1 PHE A 68 -9.948 -10.774 -22.330 1.00 74.33 H new ATOM 0 HE2 PHE A 68 -6.146 -12.673 -21.988 1.00 14.21 H new ATOM 0 HZ PHE A 68 -8.340 -12.477 -23.090 1.00 34.22 H new ATOM 1068 N LEU A 69 -7.309 -11.444 -16.673 1.00 15.53 N ATOM 1069 CA LEU A 69 -6.617 -12.257 -15.680 1.00 31.54 C ATOM 1070 C LEU A 69 -6.864 -13.743 -15.925 1.00 13.44 C ATOM 1071 O LEU A 69 -5.942 -14.516 -16.182 1.00 21.41 O ATOM 1072 CB LEU A 69 -7.076 -11.878 -14.271 1.00 31.04 C ATOM 1073 CG LEU A 69 -6.040 -11.175 -13.394 1.00 5.24 C ATOM 1074 CD1 LEU A 69 -6.716 -10.187 -12.456 1.00 22.14 C ATOM 1075 CD2 LEU A 69 -5.229 -12.193 -12.605 1.00 33.11 C ATOM 0 H LEU A 69 -7.893 -11.975 -17.319 1.00 15.53 H new ATOM 0 HA LEU A 69 -5.548 -12.065 -15.771 1.00 31.54 H new ATOM 0 HB2 LEU A 69 -7.949 -11.231 -14.357 1.00 31.04 H new ATOM 0 HB3 LEU A 69 -7.400 -12.785 -13.760 1.00 31.04 H new ATOM 0 HG LEU A 69 -5.360 -10.622 -14.042 1.00 5.24 H new ATOM 0 HD11 LEU A 69 -5.963 -9.696 -11.840 1.00 22.14 H new ATOM 0 HD12 LEU A 69 -7.251 -9.438 -13.040 1.00 22.14 H new ATOM 0 HD13 LEU A 69 -7.420 -10.717 -11.815 1.00 22.14 H new ATOM 0 HD21 LEU A 69 -4.497 -11.674 -11.986 1.00 33.11 H new ATOM 0 HD22 LEU A 69 -5.896 -12.774 -11.968 1.00 33.11 H new ATOM 0 HD23 LEU A 69 -4.713 -12.861 -13.295 1.00 33.11 H new ATOM 1087 N PRO A 70 -8.139 -14.151 -15.845 1.00 73.53 N ATOM 1088 CA PRO A 70 -8.538 -15.546 -16.058 1.00 11.01 C ATOM 1089 C PRO A 70 -8.388 -15.976 -17.513 1.00 62.40 C ATOM 1090 O PRO A 70 -8.479 -17.162 -17.832 1.00 40.01 O ATOM 1091 CB PRO A 70 -10.012 -15.560 -15.646 1.00 31.25 C ATOM 1092 CG PRO A 70 -10.475 -14.158 -15.845 1.00 60.45 C ATOM 1093 CD PRO A 70 -9.290 -13.284 -15.542 1.00 41.25 C ATOM 0 HA PRO A 70 -7.916 -16.239 -15.491 1.00 11.01 H new ATOM 0 HB2 PRO A 70 -10.587 -16.257 -16.256 1.00 31.25 H new ATOM 0 HB3 PRO A 70 -10.130 -15.872 -14.608 1.00 31.25 H new ATOM 0 HG2 PRO A 70 -10.823 -14.003 -16.866 1.00 60.45 H new ATOM 0 HG3 PRO A 70 -11.310 -13.925 -15.185 1.00 60.45 H new ATOM 0 HD2 PRO A 70 -9.287 -12.384 -16.156 1.00 41.25 H new ATOM 0 HD3 PRO A 70 -9.286 -12.960 -14.501 1.00 41.25 H new ATOM 1101 N ASP A 71 -8.157 -15.007 -18.391 1.00 40.30 N ATOM 1102 CA ASP A 71 -7.992 -15.286 -19.813 1.00 14.11 C ATOM 1103 C ASP A 71 -9.144 -16.138 -20.336 1.00 55.13 C ATOM 1104 O ASP A 71 -8.959 -16.974 -21.221 1.00 13.30 O ATOM 1105 CB ASP A 71 -6.661 -15.996 -20.064 1.00 73.03 C ATOM 1106 CG ASP A 71 -5.560 -15.504 -19.146 1.00 11.11 C ATOM 1107 OD1 ASP A 71 -5.305 -16.165 -18.117 1.00 71.03 O ATOM 1108 OD2 ASP A 71 -4.953 -14.458 -19.456 1.00 64.11 O ATOM 0 H ASP A 71 -8.080 -14.021 -18.143 1.00 40.30 H new ATOM 0 HA ASP A 71 -7.994 -14.336 -20.348 1.00 14.11 H new ATOM 0 HB2 ASP A 71 -6.793 -17.069 -19.925 1.00 73.03 H new ATOM 0 HB3 ASP A 71 -6.361 -15.843 -21.101 1.00 73.03 H new ATOM 1113 N ARG A 72 -10.333 -15.921 -19.783 1.00 52.20 N ATOM 1114 CA ARG A 72 -11.515 -16.670 -20.192 1.00 62.34 C ATOM 1115 C ARG A 72 -12.669 -15.728 -20.523 1.00 65.23 C ATOM 1116 O ARG A 72 -13.836 -16.116 -20.468 1.00 24.34 O ATOM 1117 CB ARG A 72 -11.936 -17.642 -19.089 1.00 13.05 C ATOM 1118 CG ARG A 72 -10.962 -18.791 -18.884 1.00 13.33 C ATOM 1119 CD ARG A 72 -11.589 -20.125 -19.256 1.00 22.43 C ATOM 1120 NE ARG A 72 -10.646 -21.232 -19.112 1.00 51.53 N ATOM 1121 CZ ARG A 72 -10.966 -22.503 -19.328 1.00 12.41 C ATOM 1122 NH1 ARG A 72 -12.198 -22.826 -19.695 1.00 73.31 N ATOM 1123 NH2 ARG A 72 -10.053 -23.453 -19.177 1.00 4.04 N ATOM 0 H ARG A 72 -10.503 -15.232 -19.050 1.00 52.20 H new ATOM 0 HA ARG A 72 -11.263 -17.236 -21.089 1.00 62.34 H new ATOM 0 HB2 ARG A 72 -12.039 -17.093 -18.153 1.00 13.05 H new ATOM 0 HB3 ARG A 72 -12.918 -18.048 -19.330 1.00 13.05 H new ATOM 0 HG2 ARG A 72 -10.070 -18.626 -19.488 1.00 13.33 H new ATOM 0 HG3 ARG A 72 -10.641 -18.816 -17.843 1.00 13.33 H new ATOM 0 HD2 ARG A 72 -12.459 -20.305 -18.625 1.00 22.43 H new ATOM 0 HD3 ARG A 72 -11.945 -20.084 -20.285 1.00 22.43 H new ATOM 0 HE ARG A 72 -9.690 -21.017 -18.830 1.00 51.53 H new ATOM 0 HH11 ARG A 72 -12.903 -22.098 -19.812 1.00 73.31 H new ATOM 0 HH12 ARG A 72 -12.441 -23.803 -19.860 1.00 73.31 H new ATOM 0 HH21 ARG A 72 -9.104 -23.208 -18.895 1.00 4.04 H new ATOM 0 HH22 ARG A 72 -10.300 -24.429 -19.343 1.00 4.04 H new ATOM 1137 N ASP A 73 -12.334 -14.489 -20.867 1.00 62.40 N ATOM 1138 CA ASP A 73 -13.341 -13.492 -21.208 1.00 14.35 C ATOM 1139 C ASP A 73 -13.557 -13.430 -22.716 1.00 73.44 C ATOM 1140 O ASP A 73 -13.823 -12.365 -23.272 1.00 14.04 O ATOM 1141 CB ASP A 73 -12.926 -12.116 -20.683 1.00 23.40 C ATOM 1142 CG ASP A 73 -14.057 -11.109 -20.741 1.00 2.41 C ATOM 1143 OD1 ASP A 73 -13.825 -9.984 -21.233 1.00 14.04 O ATOM 1144 OD2 ASP A 73 -15.174 -11.445 -20.295 1.00 43.32 O ATOM 0 H ASP A 73 -11.373 -14.152 -20.917 1.00 62.40 H new ATOM 0 HA ASP A 73 -14.279 -13.785 -20.737 1.00 14.35 H new ATOM 0 HB2 ASP A 73 -12.581 -12.212 -19.653 1.00 23.40 H new ATOM 0 HB3 ASP A 73 -12.084 -11.746 -21.268 1.00 23.40 H new ATOM 1149 N GLU A 74 -13.440 -14.580 -23.373 1.00 64.22 N ATOM 1150 CA GLU A 74 -13.620 -14.656 -24.818 1.00 52.42 C ATOM 1151 C GLU A 74 -12.617 -13.760 -25.539 1.00 53.44 C ATOM 1152 O GLU A 74 -12.968 -13.050 -26.481 1.00 44.40 O ATOM 1153 CB GLU A 74 -15.046 -14.252 -25.198 1.00 75.10 C ATOM 1154 CG GLU A 74 -16.118 -15.069 -24.496 1.00 23.42 C ATOM 1155 CD GLU A 74 -17.198 -15.553 -25.444 1.00 25.30 C ATOM 1156 OE1 GLU A 74 -17.311 -16.782 -25.635 1.00 71.41 O ATOM 1157 OE2 GLU A 74 -17.928 -14.704 -25.995 1.00 14.01 O ATOM 0 H GLU A 74 -13.221 -15.471 -22.928 1.00 64.22 H new ATOM 0 HA GLU A 74 -13.447 -15.687 -25.126 1.00 52.42 H new ATOM 0 HB2 GLU A 74 -15.191 -13.198 -24.961 1.00 75.10 H new ATOM 0 HB3 GLU A 74 -15.169 -14.357 -26.276 1.00 75.10 H new ATOM 0 HG2 GLU A 74 -15.655 -15.928 -24.010 1.00 23.42 H new ATOM 0 HG3 GLU A 74 -16.573 -14.466 -23.711 1.00 23.42 H new ATOM 1164 N GLY A 75 -11.367 -13.798 -25.089 1.00 21.42 N ATOM 1165 CA GLY A 75 -10.332 -12.986 -25.701 1.00 52.32 C ATOM 1166 C GLY A 75 -9.012 -13.721 -25.821 1.00 32.21 C ATOM 1167 O GLY A 75 -8.300 -13.574 -26.814 1.00 32.42 O ATOM 0 H GLY A 75 -11.052 -14.377 -24.311 1.00 21.42 H new ATOM 0 HA2 GLY A 75 -10.660 -12.671 -26.692 1.00 52.32 H new ATOM 0 HA3 GLY A 75 -10.188 -12.081 -25.110 1.00 52.32 H new ATOM 1171 N MET A 76 -8.684 -14.514 -24.806 1.00 1.53 N ATOM 1172 CA MET A 76 -7.440 -15.274 -24.802 1.00 23.12 C ATOM 1173 C MET A 76 -7.282 -16.065 -26.096 1.00 71.34 C ATOM 1174 O MET A 76 -6.166 -16.299 -26.560 1.00 12.13 O ATOM 1175 CB MET A 76 -7.401 -16.223 -23.602 1.00 61.24 C ATOM 1176 CG MET A 76 -6.087 -16.975 -23.465 1.00 31.40 C ATOM 1177 SD MET A 76 -6.254 -18.495 -22.509 1.00 64.22 S ATOM 1178 CE MET A 76 -4.741 -19.343 -22.955 1.00 65.35 C ATOM 0 H MET A 76 -9.262 -14.647 -23.976 1.00 1.53 H new ATOM 0 HA MET A 76 -6.613 -14.569 -24.725 1.00 23.12 H new ATOM 0 HB2 MET A 76 -7.580 -15.652 -22.691 1.00 61.24 H new ATOM 0 HB3 MET A 76 -8.215 -16.943 -23.692 1.00 61.24 H new ATOM 0 HG2 MET A 76 -5.705 -17.214 -24.457 1.00 31.40 H new ATOM 0 HG3 MET A 76 -5.351 -16.329 -22.987 1.00 31.40 H new ATOM 0 HE1 MET A 76 -4.697 -20.304 -22.442 1.00 65.35 H new ATOM 0 HE2 MET A 76 -4.719 -19.506 -24.033 1.00 65.35 H new ATOM 0 HE3 MET A 76 -3.884 -18.736 -22.663 1.00 65.35 H new ATOM 1188 N MET A 77 -8.406 -16.475 -26.675 1.00 32.02 N ATOM 1189 CA MET A 77 -8.392 -17.239 -27.917 1.00 24.33 C ATOM 1190 C MET A 77 -7.740 -16.439 -29.040 1.00 52.10 C ATOM 1191 O MET A 77 -6.966 -16.979 -29.830 1.00 13.41 O ATOM 1192 CB MET A 77 -9.815 -17.633 -28.315 1.00 32.52 C ATOM 1193 CG MET A 77 -10.761 -16.450 -28.441 1.00 3.11 C ATOM 1194 SD MET A 77 -12.487 -16.952 -28.577 1.00 52.44 S ATOM 1195 CE MET A 77 -13.057 -15.855 -29.874 1.00 62.11 C ATOM 0 H MET A 77 -9.338 -16.291 -26.304 1.00 32.02 H new ATOM 0 HA MET A 77 -7.806 -18.143 -27.751 1.00 24.33 H new ATOM 0 HB2 MET A 77 -9.783 -18.165 -29.266 1.00 32.52 H new ATOM 0 HB3 MET A 77 -10.212 -18.327 -27.574 1.00 32.52 H new ATOM 0 HG2 MET A 77 -10.643 -15.801 -27.573 1.00 3.11 H new ATOM 0 HG3 MET A 77 -10.487 -15.863 -29.318 1.00 3.11 H new ATOM 0 HE1 MET A 77 -14.112 -16.044 -30.073 1.00 62.11 H new ATOM 0 HE2 MET A 77 -12.928 -14.820 -29.558 1.00 62.11 H new ATOM 0 HE3 MET A 77 -12.479 -16.032 -30.781 1.00 62.11 H new ATOM 1205 N GLU A 78 -8.059 -15.150 -29.104 1.00 73.05 N ATOM 1206 CA GLU A 78 -7.505 -14.277 -30.133 1.00 20.05 C ATOM 1207 C GLU A 78 -6.207 -13.632 -29.656 1.00 44.13 C ATOM 1208 O GLU A 78 -5.396 -13.176 -30.463 1.00 35.24 O ATOM 1209 CB GLU A 78 -8.516 -13.193 -30.512 1.00 73.44 C ATOM 1210 CG GLU A 78 -9.339 -13.534 -31.744 1.00 12.45 C ATOM 1211 CD GLU A 78 -10.668 -12.803 -31.777 1.00 44.04 C ATOM 1212 OE1 GLU A 78 -10.663 -11.559 -31.666 1.00 43.05 O ATOM 1213 OE2 GLU A 78 -11.711 -13.474 -31.915 1.00 33.45 O ATOM 0 H GLU A 78 -8.697 -14.688 -28.457 1.00 73.05 H new ATOM 0 HA GLU A 78 -7.288 -14.885 -31.012 1.00 20.05 H new ATOM 0 HB2 GLU A 78 -9.189 -13.025 -29.671 1.00 73.44 H new ATOM 0 HB3 GLU A 78 -7.985 -12.257 -30.687 1.00 73.44 H new ATOM 0 HG2 GLU A 78 -8.768 -13.284 -32.638 1.00 12.45 H new ATOM 0 HG3 GLU A 78 -9.519 -14.609 -31.771 1.00 12.45 H new ATOM 1220 N GLU A 79 -6.017 -13.597 -28.341 1.00 34.41 N ATOM 1221 CA GLU A 79 -4.819 -13.007 -27.757 1.00 64.05 C ATOM 1222 C GLU A 79 -3.817 -14.088 -27.362 1.00 21.11 C ATOM 1223 O GLU A 79 -2.927 -13.856 -26.545 1.00 63.01 O ATOM 1224 CB GLU A 79 -5.183 -12.162 -26.535 1.00 44.30 C ATOM 1225 CG GLU A 79 -6.264 -11.130 -26.808 1.00 73.35 C ATOM 1226 CD GLU A 79 -5.991 -9.804 -26.127 1.00 41.51 C ATOM 1227 OE1 GLU A 79 -5.196 -9.785 -25.164 1.00 43.42 O ATOM 1228 OE2 GLU A 79 -6.572 -8.785 -26.556 1.00 43.20 O ATOM 0 H GLU A 79 -6.678 -13.971 -27.660 1.00 34.41 H new ATOM 0 HA GLU A 79 -4.358 -12.366 -28.508 1.00 64.05 H new ATOM 0 HB2 GLU A 79 -5.517 -12.822 -25.734 1.00 44.30 H new ATOM 0 HB3 GLU A 79 -4.288 -11.653 -26.177 1.00 44.30 H new ATOM 0 HG2 GLU A 79 -6.346 -10.972 -27.883 1.00 73.35 H new ATOM 0 HG3 GLU A 79 -7.225 -11.517 -26.468 1.00 73.35 H new ATOM 1235 N GLY A 80 -3.970 -15.272 -27.948 1.00 12.11 N ATOM 1236 CA GLY A 80 -3.073 -16.372 -27.644 1.00 54.41 C ATOM 1237 C GLY A 80 -3.119 -17.464 -28.694 1.00 50.11 C ATOM 1238 O GLY A 80 -2.094 -18.058 -29.028 1.00 22.31 O ATOM 0 H GLY A 80 -4.699 -15.489 -28.628 1.00 12.11 H new ATOM 0 HA2 GLY A 80 -2.054 -15.994 -27.562 1.00 54.41 H new ATOM 0 HA3 GLY A 80 -3.336 -16.794 -26.674 1.00 54.41 H new ATOM 1242 N LYS A 81 -4.311 -17.731 -29.216 1.00 73.21 N ATOM 1243 CA LYS A 81 -4.488 -18.760 -30.234 1.00 52.23 C ATOM 1244 C LYS A 81 -4.625 -18.136 -31.620 1.00 31.14 C ATOM 1245 O LYS A 81 -5.151 -18.759 -32.543 1.00 32.12 O ATOM 1246 CB LYS A 81 -5.722 -19.609 -29.922 1.00 31.35 C ATOM 1247 CG LYS A 81 -5.398 -21.060 -29.608 1.00 54.23 C ATOM 1248 CD LYS A 81 -4.855 -21.786 -30.827 1.00 44.34 C ATOM 1249 CE LYS A 81 -3.517 -22.446 -30.532 1.00 62.20 C ATOM 1250 NZ LYS A 81 -2.770 -22.769 -31.779 1.00 51.14 N ATOM 0 H LYS A 81 -5.170 -17.249 -28.951 1.00 73.21 H new ATOM 0 HA LYS A 81 -3.604 -19.398 -30.227 1.00 52.23 H new ATOM 0 HB2 LYS A 81 -6.249 -19.171 -29.074 1.00 31.35 H new ATOM 0 HB3 LYS A 81 -6.402 -19.573 -30.773 1.00 31.35 H new ATOM 0 HG2 LYS A 81 -4.666 -21.104 -28.801 1.00 54.23 H new ATOM 0 HG3 LYS A 81 -6.296 -21.566 -29.252 1.00 54.23 H new ATOM 0 HD2 LYS A 81 -5.571 -22.541 -31.151 1.00 44.34 H new ATOM 0 HD3 LYS A 81 -4.741 -21.081 -31.651 1.00 44.34 H new ATOM 0 HE2 LYS A 81 -2.915 -21.784 -29.909 1.00 62.20 H new ATOM 0 HE3 LYS A 81 -3.681 -23.359 -29.960 1.00 62.20 H new ATOM 0 HZ1 LYS A 81 -1.864 -23.217 -31.535 1.00 51.14 H new ATOM 0 HZ2 LYS A 81 -3.333 -23.421 -32.362 1.00 51.14 H new ATOM 0 HZ3 LYS A 81 -2.591 -21.895 -32.313 1.00 51.14 H new ATOM 1264 N LEU A 82 -4.148 -16.904 -31.759 1.00 24.35 N ATOM 1265 CA LEU A 82 -4.215 -16.197 -33.032 1.00 54.34 C ATOM 1266 C LEU A 82 -2.874 -15.554 -33.370 1.00 40.13 C ATOM 1267 O LEU A 82 -2.284 -15.837 -34.413 1.00 41.21 O ATOM 1268 CB LEU A 82 -5.309 -15.128 -32.987 1.00 61.02 C ATOM 1269 CG LEU A 82 -6.622 -15.481 -33.688 1.00 4.24 C ATOM 1270 CD1 LEU A 82 -6.413 -15.587 -35.190 1.00 60.42 C ATOM 1271 CD2 LEU A 82 -7.190 -16.779 -33.133 1.00 0.23 C ATOM 0 H LEU A 82 -3.711 -16.374 -31.005 1.00 24.35 H new ATOM 0 HA LEU A 82 -4.455 -16.922 -33.810 1.00 54.34 H new ATOM 0 HB2 LEU A 82 -5.527 -14.903 -31.943 1.00 61.02 H new ATOM 0 HB3 LEU A 82 -4.916 -14.215 -33.434 1.00 61.02 H new ATOM 0 HG LEU A 82 -7.340 -14.683 -33.498 1.00 4.24 H new ATOM 0 HD11 LEU A 82 -7.358 -15.839 -35.672 1.00 60.42 H new ATOM 0 HD12 LEU A 82 -6.052 -14.633 -35.575 1.00 60.42 H new ATOM 0 HD13 LEU A 82 -5.679 -16.365 -35.401 1.00 60.42 H new ATOM 0 HD21 LEU A 82 -8.124 -17.015 -33.643 1.00 0.23 H new ATOM 0 HD22 LEU A 82 -6.475 -17.586 -33.293 1.00 0.23 H new ATOM 0 HD23 LEU A 82 -7.378 -16.667 -32.065 1.00 0.23 H new ATOM 1283 N ASP A 83 -2.397 -14.690 -32.481 1.00 13.11 N ATOM 1284 CA ASP A 83 -1.123 -14.009 -32.683 1.00 35.31 C ATOM 1285 C ASP A 83 -0.119 -14.406 -31.606 1.00 3.34 C ATOM 1286 O ASP A 83 -0.390 -14.275 -30.412 1.00 65.23 O ATOM 1287 CB ASP A 83 -1.325 -12.493 -32.677 1.00 64.11 C ATOM 1288 CG ASP A 83 -2.649 -12.082 -33.290 1.00 31.43 C ATOM 1289 OD1 ASP A 83 -3.642 -11.973 -32.539 1.00 63.15 O ATOM 1290 OD2 ASP A 83 -2.693 -11.869 -34.519 1.00 70.53 O ATOM 0 H ASP A 83 -2.873 -14.444 -31.613 1.00 13.11 H new ATOM 0 HA ASP A 83 -0.726 -14.311 -33.652 1.00 35.31 H new ATOM 0 HB2 ASP A 83 -1.274 -12.127 -31.652 1.00 64.11 H new ATOM 0 HB3 ASP A 83 -0.511 -12.019 -33.226 1.00 64.11 H new ATOM 1295 N ALA A 84 1.041 -14.891 -32.035 1.00 63.24 N ATOM 1296 CA ALA A 84 2.087 -15.306 -31.108 1.00 54.20 C ATOM 1297 C ALA A 84 2.499 -14.156 -30.195 1.00 54.45 C ATOM 1298 O ALA A 84 2.908 -14.372 -29.055 1.00 14.33 O ATOM 1299 CB ALA A 84 3.292 -15.833 -31.873 1.00 33.24 C ATOM 0 H ALA A 84 1.281 -15.006 -33.020 1.00 63.24 H new ATOM 0 HA ALA A 84 1.689 -16.106 -30.484 1.00 54.20 H new ATOM 0 HB1 ALA A 84 4.065 -16.139 -31.168 1.00 33.24 H new ATOM 0 HB2 ALA A 84 2.993 -16.689 -32.478 1.00 33.24 H new ATOM 0 HB3 ALA A 84 3.682 -15.049 -32.522 1.00 33.24 H new ATOM 1305 N SER A 85 2.389 -12.933 -30.705 1.00 71.15 N ATOM 1306 CA SER A 85 2.755 -11.749 -29.937 1.00 54.24 C ATOM 1307 C SER A 85 1.857 -11.597 -28.713 1.00 50.32 C ATOM 1308 O SER A 85 2.324 -11.252 -27.627 1.00 33.44 O ATOM 1309 CB SER A 85 2.659 -10.498 -30.813 1.00 12.33 C ATOM 1310 OG SER A 85 3.228 -10.724 -32.091 1.00 32.54 O ATOM 0 H SER A 85 2.049 -12.737 -31.647 1.00 71.15 H new ATOM 0 HA SER A 85 3.784 -11.869 -29.598 1.00 54.24 H new ATOM 0 HB2 SER A 85 1.614 -10.207 -30.923 1.00 12.33 H new ATOM 0 HB3 SER A 85 3.171 -9.669 -30.325 1.00 12.33 H new ATOM 0 HG SER A 85 3.152 -9.910 -32.631 1.00 32.54 H new ATOM 1316 N CYS A 86 0.567 -11.856 -28.897 1.00 43.45 N ATOM 1317 CA CYS A 86 -0.398 -11.747 -27.809 1.00 25.11 C ATOM 1318 C CYS A 86 -0.144 -12.814 -26.749 1.00 63.10 C ATOM 1319 O CYS A 86 -0.151 -12.528 -25.552 1.00 62.31 O ATOM 1320 CB CYS A 86 -1.823 -11.876 -28.348 1.00 41.42 C ATOM 1321 SG CYS A 86 -2.279 -10.595 -29.541 1.00 31.24 S ATOM 0 H CYS A 86 0.165 -12.143 -29.790 1.00 43.45 H new ATOM 0 HA CYS A 86 -0.279 -10.766 -27.348 1.00 25.11 H new ATOM 0 HB2 CYS A 86 -1.935 -12.853 -28.819 1.00 41.42 H new ATOM 0 HB3 CYS A 86 -2.521 -11.844 -27.511 1.00 41.42 H new ATOM 0 HG CYS A 86 -3.500 -10.790 -29.941 1.00 31.24 H new ATOM 1327 N ALA A 87 0.079 -14.045 -27.198 1.00 33.23 N ATOM 1328 CA ALA A 87 0.335 -15.155 -26.288 1.00 51.01 C ATOM 1329 C ALA A 87 1.606 -14.920 -25.480 1.00 25.01 C ATOM 1330 O ALA A 87 1.674 -15.258 -24.298 1.00 43.00 O ATOM 1331 CB ALA A 87 0.434 -16.461 -27.063 1.00 55.42 C ATOM 0 H ALA A 87 0.088 -14.299 -28.186 1.00 33.23 H new ATOM 0 HA ALA A 87 -0.500 -15.221 -25.591 1.00 51.01 H new ATOM 0 HB1 ALA A 87 0.625 -17.281 -26.371 1.00 55.42 H new ATOM 0 HB2 ALA A 87 -0.502 -16.643 -27.591 1.00 55.42 H new ATOM 0 HB3 ALA A 87 1.250 -16.396 -27.783 1.00 55.42 H new ATOM 1337 N VAL A 88 2.613 -14.339 -26.125 1.00 24.42 N ATOM 1338 CA VAL A 88 3.883 -14.059 -25.466 1.00 2.14 C ATOM 1339 C VAL A 88 3.736 -12.937 -24.443 1.00 72.44 C ATOM 1340 O VAL A 88 4.283 -13.010 -23.344 1.00 24.12 O ATOM 1341 CB VAL A 88 4.971 -13.670 -26.485 1.00 31.24 C ATOM 1342 CG1 VAL A 88 6.238 -13.227 -25.770 1.00 24.20 C ATOM 1343 CG2 VAL A 88 5.257 -14.830 -27.426 1.00 24.41 C ATOM 0 H VAL A 88 2.574 -14.053 -27.103 1.00 24.42 H new ATOM 0 HA VAL A 88 4.184 -14.975 -24.957 1.00 2.14 H new ATOM 0 HB VAL A 88 4.606 -12.832 -27.079 1.00 31.24 H new ATOM 0 HG11 VAL A 88 6.995 -12.956 -26.506 1.00 24.20 H new ATOM 0 HG12 VAL A 88 6.018 -12.364 -25.141 1.00 24.20 H new ATOM 0 HG13 VAL A 88 6.610 -14.043 -25.150 1.00 24.20 H new ATOM 0 HG21 VAL A 88 6.028 -14.538 -28.139 1.00 24.41 H new ATOM 0 HG22 VAL A 88 5.602 -15.689 -26.850 1.00 24.41 H new ATOM 0 HG23 VAL A 88 4.347 -15.095 -27.964 1.00 24.41 H new ATOM 1353 N ALA A 89 2.992 -11.900 -24.814 1.00 72.51 N ATOM 1354 CA ALA A 89 2.770 -10.764 -23.929 1.00 31.14 C ATOM 1355 C ALA A 89 2.030 -11.189 -22.665 1.00 22.33 C ATOM 1356 O ALA A 89 2.399 -10.797 -21.557 1.00 72.32 O ATOM 1357 CB ALA A 89 1.996 -9.673 -24.654 1.00 32.22 C ATOM 0 H ALA A 89 2.533 -11.824 -25.722 1.00 72.51 H new ATOM 0 HA ALA A 89 3.742 -10.370 -23.634 1.00 31.14 H new ATOM 0 HB1 ALA A 89 1.837 -8.831 -23.981 1.00 32.22 H new ATOM 0 HB2 ALA A 89 2.563 -9.341 -25.523 1.00 32.22 H new ATOM 0 HB3 ALA A 89 1.032 -10.065 -24.978 1.00 32.22 H new ATOM 1363 N ILE A 90 0.986 -11.992 -22.838 1.00 15.11 N ATOM 1364 CA ILE A 90 0.195 -12.470 -21.711 1.00 11.15 C ATOM 1365 C ILE A 90 1.004 -13.421 -20.835 1.00 43.23 C ATOM 1366 O ILE A 90 1.028 -13.285 -19.613 1.00 24.24 O ATOM 1367 CB ILE A 90 -1.083 -13.188 -22.183 1.00 51.32 C ATOM 1368 CG1 ILE A 90 -1.944 -12.242 -23.024 1.00 22.40 C ATOM 1369 CG2 ILE A 90 -1.870 -13.709 -20.990 1.00 40.10 C ATOM 1370 CD1 ILE A 90 -3.037 -12.947 -23.797 1.00 1.23 C ATOM 0 H ILE A 90 0.668 -12.325 -23.748 1.00 15.11 H new ATOM 0 HA ILE A 90 -0.085 -11.592 -21.129 1.00 11.15 H new ATOM 0 HB ILE A 90 -0.797 -14.038 -22.803 1.00 51.32 H new ATOM 0 HG12 ILE A 90 -2.396 -11.496 -22.370 1.00 22.40 H new ATOM 0 HG13 ILE A 90 -1.303 -11.706 -23.724 1.00 22.40 H new ATOM 0 HG21 ILE A 90 -2.770 -14.214 -21.340 1.00 40.10 H new ATOM 0 HG22 ILE A 90 -1.255 -14.412 -20.428 1.00 40.10 H new ATOM 0 HG23 ILE A 90 -2.149 -12.875 -20.346 1.00 40.10 H new ATOM 0 HD11 ILE A 90 -3.607 -12.216 -24.370 1.00 1.23 H new ATOM 0 HD12 ILE A 90 -2.591 -13.673 -24.477 1.00 1.23 H new ATOM 0 HD13 ILE A 90 -3.701 -13.461 -23.102 1.00 1.23 H new ATOM 1382 N GLU A 91 1.667 -14.382 -21.471 1.00 2.00 N ATOM 1383 CA GLU A 91 2.479 -15.355 -20.749 1.00 50.13 C ATOM 1384 C GLU A 91 3.563 -14.659 -19.932 1.00 24.14 C ATOM 1385 O GLU A 91 3.896 -15.091 -18.828 1.00 74.04 O ATOM 1386 CB GLU A 91 3.118 -16.344 -21.726 1.00 74.34 C ATOM 1387 CG GLU A 91 2.245 -17.551 -22.028 1.00 30.22 C ATOM 1388 CD GLU A 91 2.849 -18.848 -21.525 1.00 40.00 C ATOM 1389 OE1 GLU A 91 4.042 -19.092 -21.801 1.00 5.11 O ATOM 1390 OE2 GLU A 91 2.129 -19.619 -20.857 1.00 1.45 O ATOM 0 H GLU A 91 1.658 -14.508 -22.483 1.00 2.00 H new ATOM 0 HA GLU A 91 1.827 -15.899 -20.066 1.00 50.13 H new ATOM 0 HB2 GLU A 91 3.343 -15.827 -22.659 1.00 74.34 H new ATOM 0 HB3 GLU A 91 4.067 -16.687 -21.314 1.00 74.34 H new ATOM 0 HG2 GLU A 91 1.265 -17.410 -21.571 1.00 30.22 H new ATOM 0 HG3 GLU A 91 2.088 -17.621 -23.104 1.00 30.22 H new ATOM 1397 N GLU A 92 4.111 -13.580 -20.482 1.00 72.02 N ATOM 1398 CA GLU A 92 5.158 -12.825 -19.805 1.00 25.55 C ATOM 1399 C GLU A 92 4.589 -12.041 -18.626 1.00 54.02 C ATOM 1400 O GLU A 92 5.179 -12.005 -17.547 1.00 40.02 O ATOM 1401 CB GLU A 92 5.844 -11.870 -20.783 1.00 64.24 C ATOM 1402 CG GLU A 92 7.256 -11.487 -20.372 1.00 61.42 C ATOM 1403 CD GLU A 92 8.178 -11.295 -21.561 1.00 20.04 C ATOM 1404 OE1 GLU A 92 8.417 -12.280 -22.291 1.00 1.33 O ATOM 1405 OE2 GLU A 92 8.660 -10.161 -21.761 1.00 4.25 O ATOM 0 H GLU A 92 3.847 -13.209 -21.395 1.00 72.02 H new ATOM 0 HA GLU A 92 5.893 -13.535 -19.426 1.00 25.55 H new ATOM 0 HB2 GLU A 92 5.875 -12.334 -21.769 1.00 64.24 H new ATOM 0 HB3 GLU A 92 5.244 -10.965 -20.875 1.00 64.24 H new ATOM 0 HG2 GLU A 92 7.224 -10.566 -19.790 1.00 61.42 H new ATOM 0 HG3 GLU A 92 7.664 -12.261 -19.722 1.00 61.42 H new ATOM 1412 N ALA A 93 3.437 -11.414 -18.842 1.00 41.43 N ATOM 1413 CA ALA A 93 2.786 -10.631 -17.799 1.00 41.10 C ATOM 1414 C ALA A 93 2.442 -11.500 -16.594 1.00 62.33 C ATOM 1415 O ALA A 93 2.581 -11.072 -15.448 1.00 63.13 O ATOM 1416 CB ALA A 93 1.533 -9.963 -18.345 1.00 0.41 C ATOM 0 H ALA A 93 2.936 -11.433 -19.730 1.00 41.43 H new ATOM 0 HA ALA A 93 3.482 -9.859 -17.471 1.00 41.10 H new ATOM 0 HB1 ALA A 93 1.057 -9.382 -17.555 1.00 0.41 H new ATOM 0 HB2 ALA A 93 1.802 -9.303 -19.169 1.00 0.41 H new ATOM 0 HB3 ALA A 93 0.840 -10.725 -18.702 1.00 0.41 H new ATOM 1422 N ILE A 94 1.992 -12.722 -16.861 1.00 44.22 N ATOM 1423 CA ILE A 94 1.629 -13.651 -15.798 1.00 42.34 C ATOM 1424 C ILE A 94 2.868 -14.291 -15.181 1.00 13.13 C ATOM 1425 O ILE A 94 2.886 -14.608 -13.992 1.00 4.12 O ATOM 1426 CB ILE A 94 0.695 -14.761 -16.316 1.00 1.34 C ATOM 1427 CG1 ILE A 94 1.406 -15.601 -17.378 1.00 71.41 C ATOM 1428 CG2 ILE A 94 -0.584 -14.158 -16.878 1.00 4.44 C ATOM 1429 CD1 ILE A 94 0.551 -16.718 -17.937 1.00 3.52 C ATOM 0 H ILE A 94 1.870 -13.091 -17.804 1.00 44.22 H new ATOM 0 HA ILE A 94 1.105 -13.072 -15.037 1.00 42.34 H new ATOM 0 HB ILE A 94 0.431 -15.412 -15.482 1.00 1.34 H new ATOM 0 HG12 ILE A 94 1.719 -14.950 -18.195 1.00 71.41 H new ATOM 0 HG13 ILE A 94 2.311 -16.028 -16.946 1.00 71.41 H new ATOM 0 HG21 ILE A 94 -1.234 -14.955 -17.240 1.00 4.44 H new ATOM 0 HG22 ILE A 94 -1.097 -13.599 -16.096 1.00 4.44 H new ATOM 0 HG23 ILE A 94 -0.339 -13.488 -17.702 1.00 4.44 H new ATOM 0 HD11 ILE A 94 1.119 -17.272 -18.684 1.00 3.52 H new ATOM 0 HD12 ILE A 94 0.259 -17.391 -17.131 1.00 3.52 H new ATOM 0 HD13 ILE A 94 -0.342 -16.297 -18.399 1.00 3.52 H new ATOM 1441 N GLN A 95 3.901 -14.476 -15.996 1.00 74.14 N ATOM 1442 CA GLN A 95 5.144 -15.077 -15.529 1.00 60.52 C ATOM 1443 C GLN A 95 5.883 -14.135 -14.585 1.00 21.44 C ATOM 1444 O GLN A 95 6.585 -14.577 -13.674 1.00 21.11 O ATOM 1445 CB GLN A 95 6.040 -15.435 -16.716 1.00 40.35 C ATOM 1446 CG GLN A 95 5.888 -16.874 -17.182 1.00 1.20 C ATOM 1447 CD GLN A 95 6.647 -17.156 -18.464 1.00 0.24 C ATOM 1448 OE1 GLN A 95 6.156 -16.889 -19.561 1.00 20.21 O ATOM 1449 NE2 GLN A 95 7.852 -17.698 -18.331 1.00 71.14 N ATOM 0 H GLN A 95 3.902 -14.218 -16.983 1.00 74.14 H new ATOM 0 HA GLN A 95 4.895 -15.987 -14.983 1.00 60.52 H new ATOM 0 HB2 GLN A 95 5.812 -14.767 -17.547 1.00 40.35 H new ATOM 0 HB3 GLN A 95 7.080 -15.259 -16.441 1.00 40.35 H new ATOM 0 HG2 GLN A 95 6.243 -17.545 -16.399 1.00 1.20 H new ATOM 0 HG3 GLN A 95 4.831 -17.093 -17.334 1.00 1.20 H new ATOM 0 HE21 GLN A 95 8.219 -17.903 -17.402 1.00 71.14 H new ATOM 0 HE22 GLN A 95 8.410 -17.910 -19.158 1.00 71.14 H new ATOM 1458 N LEU A 96 5.721 -12.836 -14.807 1.00 43.22 N ATOM 1459 CA LEU A 96 6.374 -11.830 -13.976 1.00 33.13 C ATOM 1460 C LEU A 96 5.482 -11.429 -12.805 1.00 74.42 C ATOM 1461 O LEU A 96 5.968 -11.138 -11.712 1.00 72.31 O ATOM 1462 CB LEU A 96 6.723 -10.597 -14.811 1.00 75.34 C ATOM 1463 CG LEU A 96 5.548 -9.894 -15.492 1.00 40.51 C ATOM 1464 CD1 LEU A 96 4.914 -8.882 -14.550 1.00 54.25 C ATOM 1465 CD2 LEU A 96 6.004 -9.217 -16.777 1.00 13.34 C ATOM 0 H LEU A 96 5.143 -12.454 -15.556 1.00 43.22 H new ATOM 0 HA LEU A 96 7.292 -12.263 -13.579 1.00 33.13 H new ATOM 0 HB2 LEU A 96 7.227 -9.877 -14.166 1.00 75.34 H new ATOM 0 HB3 LEU A 96 7.438 -10.893 -15.579 1.00 75.34 H new ATOM 0 HG LEU A 96 4.798 -10.643 -15.746 1.00 40.51 H new ATOM 0 HD11 LEU A 96 4.080 -8.391 -15.051 1.00 54.25 H new ATOM 0 HD12 LEU A 96 4.552 -9.393 -13.658 1.00 54.25 H new ATOM 0 HD13 LEU A 96 5.656 -8.136 -14.265 1.00 54.25 H new ATOM 0 HD21 LEU A 96 5.155 -8.722 -17.248 1.00 13.34 H new ATOM 0 HD22 LEU A 96 6.772 -8.479 -16.547 1.00 13.34 H new ATOM 0 HD23 LEU A 96 6.411 -9.965 -17.457 1.00 13.34 H new ATOM 1477 N TYR A 97 4.174 -11.419 -13.041 1.00 44.31 N ATOM 1478 CA TYR A 97 3.214 -11.054 -12.006 1.00 40.45 C ATOM 1479 C TYR A 97 3.173 -12.108 -10.905 1.00 32.41 C ATOM 1480 O TYR A 97 3.141 -11.781 -9.719 1.00 71.31 O ATOM 1481 CB TYR A 97 1.821 -10.879 -12.613 1.00 72.02 C ATOM 1482 CG TYR A 97 0.736 -10.654 -11.584 1.00 41.12 C ATOM 1483 CD1 TYR A 97 -0.270 -11.592 -11.390 1.00 70.42 C ATOM 1484 CD2 TYR A 97 0.717 -9.503 -10.807 1.00 14.43 C ATOM 1485 CE1 TYR A 97 -1.264 -11.391 -10.452 1.00 4.23 C ATOM 1486 CE2 TYR A 97 -0.272 -9.293 -9.865 1.00 30.31 C ATOM 1487 CZ TYR A 97 -1.260 -10.240 -9.691 1.00 60.13 C ATOM 1488 OH TYR A 97 -2.247 -10.035 -8.755 1.00 54.41 O ATOM 0 H TYR A 97 3.755 -11.659 -13.939 1.00 44.31 H new ATOM 0 HA TYR A 97 3.533 -10.109 -11.567 1.00 40.45 H new ATOM 0 HB2 TYR A 97 1.838 -10.034 -13.302 1.00 72.02 H new ATOM 0 HB3 TYR A 97 1.576 -11.764 -13.200 1.00 72.02 H new ATOM 0 HD1 TYR A 97 -0.275 -12.495 -11.983 1.00 70.42 H new ATOM 0 HD2 TYR A 97 1.488 -8.759 -10.941 1.00 14.43 H new ATOM 0 HE1 TYR A 97 -2.039 -12.130 -10.315 1.00 4.23 H new ATOM 0 HE2 TYR A 97 -0.271 -8.393 -9.268 1.00 30.31 H new ATOM 0 HH TYR A 97 -2.098 -9.177 -8.305 1.00 54.41 H new ATOM 1498 N GLU A 98 3.174 -13.375 -11.307 1.00 63.44 N ATOM 1499 CA GLU A 98 3.137 -14.479 -10.355 1.00 12.22 C ATOM 1500 C GLU A 98 4.499 -14.675 -9.696 1.00 62.31 C ATOM 1501 O GLU A 98 4.606 -15.302 -8.643 1.00 35.52 O ATOM 1502 CB GLU A 98 2.705 -15.770 -11.053 1.00 14.02 C ATOM 1503 CG GLU A 98 1.200 -15.898 -11.217 1.00 75.54 C ATOM 1504 CD GLU A 98 0.570 -16.781 -10.157 1.00 40.10 C ATOM 1505 OE1 GLU A 98 0.470 -18.004 -10.387 1.00 61.42 O ATOM 1506 OE2 GLU A 98 0.177 -16.249 -9.098 1.00 3.30 O ATOM 0 H GLU A 98 3.200 -13.662 -12.285 1.00 63.44 H new ATOM 0 HA GLU A 98 2.410 -14.233 -9.581 1.00 12.22 H new ATOM 0 HB2 GLU A 98 3.174 -15.817 -12.036 1.00 14.02 H new ATOM 0 HB3 GLU A 98 3.074 -16.623 -10.483 1.00 14.02 H new ATOM 0 HG2 GLU A 98 0.748 -14.907 -11.174 1.00 75.54 H new ATOM 0 HG3 GLU A 98 0.979 -16.307 -12.203 1.00 75.54 H new ATOM 1513 N GLU A 99 5.538 -14.135 -10.326 1.00 11.14 N ATOM 1514 CA GLU A 99 6.894 -14.252 -9.801 1.00 75.23 C ATOM 1515 C GLU A 99 7.165 -13.179 -8.751 1.00 23.44 C ATOM 1516 O GLU A 99 7.966 -13.380 -7.838 1.00 12.13 O ATOM 1517 CB GLU A 99 7.914 -14.141 -10.936 1.00 3.33 C ATOM 1518 CG GLU A 99 8.397 -15.485 -11.454 1.00 44.21 C ATOM 1519 CD GLU A 99 9.552 -15.354 -12.428 1.00 52.45 C ATOM 1520 OE1 GLU A 99 10.096 -16.397 -12.846 1.00 25.21 O ATOM 1521 OE2 GLU A 99 9.911 -14.208 -12.773 1.00 73.53 O ATOM 0 H GLU A 99 5.467 -13.613 -11.199 1.00 11.14 H new ATOM 0 HA GLU A 99 6.991 -15.230 -9.329 1.00 75.23 H new ATOM 0 HB2 GLU A 99 7.469 -13.582 -11.759 1.00 3.33 H new ATOM 0 HB3 GLU A 99 8.772 -13.566 -10.587 1.00 3.33 H new ATOM 0 HG2 GLU A 99 8.705 -16.105 -10.612 1.00 44.21 H new ATOM 0 HG3 GLU A 99 7.570 -16.000 -11.944 1.00 44.21 H new ATOM 1528 N GLN A 100 6.493 -12.041 -8.888 1.00 62.12 N ATOM 1529 CA GLN A 100 6.663 -10.936 -7.952 1.00 21.31 C ATOM 1530 C GLN A 100 5.553 -10.933 -6.906 1.00 61.51 C ATOM 1531 O GLN A 100 5.758 -10.507 -5.769 1.00 1.31 O ATOM 1532 CB GLN A 100 6.678 -9.603 -8.701 1.00 55.31 C ATOM 1533 CG GLN A 100 7.961 -9.355 -9.477 1.00 50.31 C ATOM 1534 CD GLN A 100 9.046 -8.728 -8.625 1.00 5.34 C ATOM 1535 OE1 GLN A 100 8.773 -7.876 -7.778 1.00 30.50 O ATOM 1536 NE2 GLN A 100 10.288 -9.146 -8.844 1.00 35.32 N ATOM 0 H GLN A 100 5.826 -11.860 -9.638 1.00 62.12 H new ATOM 0 HA GLN A 100 7.617 -11.069 -7.442 1.00 21.31 H new ATOM 0 HB2 GLN A 100 5.835 -9.574 -9.391 1.00 55.31 H new ATOM 0 HB3 GLN A 100 6.533 -8.793 -7.986 1.00 55.31 H new ATOM 0 HG2 GLN A 100 8.324 -10.299 -9.883 1.00 50.31 H new ATOM 0 HG3 GLN A 100 7.748 -8.704 -10.325 1.00 50.31 H new ATOM 0 HE21 GLN A 100 10.470 -9.854 -9.556 1.00 35.32 H new ATOM 0 HE22 GLN A 100 11.060 -8.759 -8.301 1.00 35.32 H new ATOM 1545 N LEU A 101 4.377 -11.412 -7.298 1.00 2.45 N ATOM 1546 CA LEU A 101 3.233 -11.464 -6.394 1.00 23.14 C ATOM 1547 C LEU A 101 3.603 -12.159 -5.087 1.00 61.12 C ATOM 1548 O LEU A 101 3.308 -11.660 -4.001 1.00 24.53 O ATOM 1549 CB LEU A 101 2.065 -12.193 -7.060 1.00 21.34 C ATOM 1550 CG LEU A 101 0.845 -12.453 -6.176 1.00 34.22 C ATOM 1551 CD1 LEU A 101 0.167 -11.144 -5.804 1.00 13.25 C ATOM 1552 CD2 LEU A 101 -0.135 -13.382 -6.879 1.00 3.14 C ATOM 0 H LEU A 101 4.191 -11.770 -8.235 1.00 2.45 H new ATOM 0 HA LEU A 101 2.933 -10.441 -6.167 1.00 23.14 H new ATOM 0 HB2 LEU A 101 1.745 -11.611 -7.924 1.00 21.34 H new ATOM 0 HB3 LEU A 101 2.427 -13.150 -7.436 1.00 21.34 H new ATOM 0 HG LEU A 101 1.181 -12.938 -5.260 1.00 34.22 H new ATOM 0 HD11 LEU A 101 -0.699 -11.349 -5.175 1.00 13.25 H new ATOM 0 HD12 LEU A 101 0.869 -10.512 -5.260 1.00 13.25 H new ATOM 0 HD13 LEU A 101 -0.156 -10.631 -6.710 1.00 13.25 H new ATOM 0 HD21 LEU A 101 -0.997 -13.556 -6.235 1.00 3.14 H new ATOM 0 HD22 LEU A 101 -0.465 -12.924 -7.812 1.00 3.14 H new ATOM 0 HD23 LEU A 101 0.355 -14.332 -7.094 1.00 3.14 H new ATOM 1564 N LYS A 102 4.253 -13.313 -5.200 1.00 54.21 N ATOM 1565 CA LYS A 102 4.667 -14.076 -4.029 1.00 11.12 C ATOM 1566 C LYS A 102 5.749 -13.334 -3.251 1.00 22.10 C ATOM 1567 O LYS A 102 5.872 -13.491 -2.037 1.00 15.45 O ATOM 1568 CB LYS A 102 5.180 -15.455 -4.449 1.00 23.14 C ATOM 1569 CG LYS A 102 4.147 -16.559 -4.304 1.00 10.24 C ATOM 1570 CD LYS A 102 3.406 -16.804 -5.607 1.00 63.15 C ATOM 1571 CE LYS A 102 4.121 -17.834 -6.469 1.00 40.43 C ATOM 1572 NZ LYS A 102 3.598 -19.209 -6.239 1.00 52.35 N ATOM 0 H LYS A 102 4.504 -13.740 -6.092 1.00 54.21 H new ATOM 0 HA LYS A 102 3.799 -14.200 -3.381 1.00 11.12 H new ATOM 0 HB2 LYS A 102 5.508 -15.410 -5.487 1.00 23.14 H new ATOM 0 HB3 LYS A 102 6.055 -15.706 -3.849 1.00 23.14 H new ATOM 0 HG2 LYS A 102 4.638 -17.478 -3.985 1.00 10.24 H new ATOM 0 HG3 LYS A 102 3.434 -16.291 -3.524 1.00 10.24 H new ATOM 0 HD2 LYS A 102 2.394 -17.147 -5.392 1.00 63.15 H new ATOM 0 HD3 LYS A 102 3.315 -15.867 -6.157 1.00 63.15 H new ATOM 0 HE2 LYS A 102 4.004 -17.572 -7.520 1.00 40.43 H new ATOM 0 HE3 LYS A 102 5.189 -17.811 -6.252 1.00 40.43 H new ATOM 0 HZ1 LYS A 102 4.111 -19.881 -6.845 1.00 52.35 H new ATOM 0 HZ2 LYS A 102 3.733 -19.469 -5.241 1.00 52.35 H new ATOM 0 HZ3 LYS A 102 2.584 -19.238 -6.470 1.00 52.35 H new ATOM 1586 N ALA A 103 6.531 -12.525 -3.959 1.00 21.33 N ATOM 1587 CA ALA A 103 7.600 -11.757 -3.334 1.00 4.24 C ATOM 1588 C ALA A 103 7.040 -10.738 -2.347 1.00 32.32 C ATOM 1589 O ALA A 103 7.631 -10.489 -1.297 1.00 11.43 O ATOM 1590 CB ALA A 103 8.439 -11.060 -4.395 1.00 23.13 C ATOM 0 H ALA A 103 6.444 -12.385 -4.966 1.00 21.33 H new ATOM 0 HA ALA A 103 8.235 -12.449 -2.781 1.00 4.24 H new ATOM 0 HB1 ALA A 103 9.234 -10.490 -3.914 1.00 23.13 H new ATOM 0 HB2 ALA A 103 8.878 -11.805 -5.059 1.00 23.13 H new ATOM 0 HB3 ALA A 103 7.807 -10.385 -4.973 1.00 23.13 H new ATOM 1596 N GLN A 104 5.897 -10.153 -2.692 1.00 64.41 N ATOM 1597 CA GLN A 104 5.259 -9.161 -1.836 1.00 52.31 C ATOM 1598 C GLN A 104 4.056 -9.758 -1.114 1.00 34.03 C ATOM 1599 O GLN A 104 3.174 -9.034 -0.653 1.00 53.11 O ATOM 1600 CB GLN A 104 4.823 -7.949 -2.662 1.00 30.12 C ATOM 1601 CG GLN A 104 3.842 -8.290 -3.772 1.00 33.24 C ATOM 1602 CD GLN A 104 3.329 -7.061 -4.495 1.00 54.11 C ATOM 1603 OE1 GLN A 104 2.818 -6.128 -3.874 1.00 20.53 O ATOM 1604 NE2 GLN A 104 3.462 -7.053 -5.816 1.00 53.53 N ATOM 0 H GLN A 104 5.395 -10.349 -3.558 1.00 64.41 H new ATOM 0 HA GLN A 104 5.986 -8.841 -1.089 1.00 52.31 H new ATOM 0 HB2 GLN A 104 4.367 -7.213 -1.999 1.00 30.12 H new ATOM 0 HB3 GLN A 104 5.705 -7.481 -3.099 1.00 30.12 H new ATOM 0 HG2 GLN A 104 4.327 -8.953 -4.489 1.00 33.24 H new ATOM 0 HG3 GLN A 104 2.999 -8.838 -3.351 1.00 33.24 H new ATOM 0 HE21 GLN A 104 3.891 -7.847 -6.290 1.00 53.53 H new ATOM 0 HE22 GLN A 104 3.135 -6.252 -6.357 1.00 53.53 H new ATOM 1613 N ALA A 105 4.027 -11.083 -1.019 1.00 74.31 N ATOM 1614 CA ALA A 105 2.933 -11.778 -0.351 1.00 54.35 C ATOM 1615 C ALA A 105 3.436 -12.566 0.853 1.00 44.12 C ATOM 1616 O ALA A 105 2.814 -13.540 1.274 1.00 13.43 O ATOM 1617 CB ALA A 105 2.219 -12.701 -1.328 1.00 43.11 C ATOM 0 H ALA A 105 4.749 -11.697 -1.396 1.00 74.31 H new ATOM 0 HA ALA A 105 2.226 -11.030 0.008 1.00 54.35 H new ATOM 0 HB1 ALA A 105 1.405 -13.213 -0.816 1.00 43.11 H new ATOM 0 HB2 ALA A 105 1.816 -12.115 -2.154 1.00 43.11 H new ATOM 0 HB3 ALA A 105 2.924 -13.437 -1.715 1.00 43.11 H new ATOM 1623 N GLY A 106 4.569 -12.139 1.402 1.00 2.45 N ATOM 1624 CA GLY A 106 5.138 -12.817 2.553 1.00 53.24 C ATOM 1625 C GLY A 106 6.279 -13.741 2.175 1.00 13.44 C ATOM 1626 O GLY A 106 7.110 -14.086 3.014 1.00 45.44 O ATOM 0 H GLY A 106 5.103 -11.336 1.071 1.00 2.45 H new ATOM 0 HA2 GLY A 106 5.496 -12.076 3.267 1.00 53.24 H new ATOM 0 HA3 GLY A 106 4.359 -13.392 3.054 1.00 53.24 H new ATOM 1630 N GLY A 107 6.318 -14.144 0.909 1.00 72.10 N ATOM 1631 CA GLY A 107 7.368 -15.031 0.445 1.00 23.53 C ATOM 1632 C GLY A 107 6.853 -16.419 0.120 1.00 61.42 C ATOM 1633 O GLY A 107 7.502 -17.420 0.428 1.00 43.45 O ATOM 0 H GLY A 107 5.641 -13.872 0.196 1.00 72.10 H new ATOM 0 HA2 GLY A 107 7.835 -14.603 -0.442 1.00 23.53 H new ATOM 0 HA3 GLY A 107 8.142 -15.104 1.209 1.00 23.53 H new ATOM 1637 N THR A 108 5.681 -16.483 -0.504 1.00 14.32 N ATOM 1638 CA THR A 108 5.077 -17.758 -0.869 1.00 12.04 C ATOM 1639 C THR A 108 4.683 -18.554 0.370 1.00 31.22 C ATOM 1640 O THR A 108 5.206 -19.641 0.613 1.00 75.11 O ATOM 1641 CB THR A 108 6.033 -18.607 -1.728 1.00 13.31 C ATOM 1642 OG1 THR A 108 6.824 -17.757 -2.566 1.00 10.45 O ATOM 1643 CG2 THR A 108 5.256 -19.593 -2.587 1.00 63.31 C ATOM 0 H THR A 108 5.131 -15.665 -0.767 1.00 14.32 H new ATOM 0 HA THR A 108 4.184 -17.530 -1.450 1.00 12.04 H new ATOM 0 HB THR A 108 6.687 -19.167 -1.060 1.00 13.31 H new ATOM 0 HG1 THR A 108 7.430 -18.304 -3.108 1.00 10.45 H new ATOM 0 HG21 THR A 108 5.952 -20.182 -3.185 1.00 63.31 H new ATOM 0 HG22 THR A 108 4.677 -20.257 -1.945 1.00 63.31 H new ATOM 0 HG23 THR A 108 4.582 -19.048 -3.247 1.00 63.31 H new ATOM 1651 N ASN A 109 3.757 -18.006 1.151 1.00 64.01 N ATOM 1652 CA ASN A 109 3.293 -18.666 2.366 1.00 63.34 C ATOM 1653 C ASN A 109 4.469 -19.061 3.254 1.00 44.42 C ATOM 1654 O ASN A 109 4.465 -20.126 3.869 1.00 71.33 O ATOM 1655 CB ASN A 109 2.468 -19.905 2.014 1.00 74.43 C ATOM 1656 CG ASN A 109 1.043 -19.560 1.626 1.00 52.22 C ATOM 1657 OD1 ASN A 109 0.889 -18.552 0.775 1.00 13.40 O flip ATOM 1658 ND2 ASN A 109 0.092 -20.192 2.086 1.00 65.14 N flip ATOM 0 H ASN A 109 3.313 -17.107 0.964 1.00 64.01 H new ATOM 0 HA ASN A 109 2.666 -17.963 2.915 1.00 63.34 H new ATOM 0 HB2 ASN A 109 2.947 -20.436 1.191 1.00 74.43 H new ATOM 0 HB3 ASN A 109 2.455 -20.584 2.867 1.00 74.43 H new ATOM 0 HD21 ASN A 109 0.257 -20.959 2.737 1.00 65.14 H new ATOM 0 HD22 ASN A 109 -0.861 -19.948 1.816 1.00 65.14 H new ATOM 1665 N GLU A 110 5.474 -18.193 3.315 1.00 4.45 N ATOM 1666 CA GLU A 110 6.657 -18.451 4.128 1.00 1.14 C ATOM 1667 C GLU A 110 7.402 -19.685 3.628 1.00 3.01 C ATOM 1668 O GLU A 110 8.528 -19.587 3.140 1.00 13.12 O ATOM 1669 CB GLU A 110 6.264 -18.639 5.595 1.00 10.12 C ATOM 1670 CG GLU A 110 7.381 -18.311 6.572 1.00 62.44 C ATOM 1671 CD GLU A 110 6.914 -18.314 8.014 1.00 4.13 C ATOM 1672 OE1 GLU A 110 7.498 -19.064 8.825 1.00 43.23 O ATOM 1673 OE2 GLU A 110 5.966 -17.567 8.333 1.00 50.10 O ATOM 0 H GLU A 110 5.493 -17.306 2.812 1.00 4.45 H new ATOM 0 HA GLU A 110 7.319 -17.589 4.044 1.00 1.14 H new ATOM 0 HB2 GLU A 110 5.403 -18.008 5.815 1.00 10.12 H new ATOM 0 HB3 GLU A 110 5.950 -19.671 5.749 1.00 10.12 H new ATOM 0 HG2 GLU A 110 8.187 -19.035 6.453 1.00 62.44 H new ATOM 0 HG3 GLU A 110 7.795 -17.332 6.330 1.00 62.44 H new TER 1680 GLU A 110