USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 HIS : no HD1:sc= 1.09 K(o=2.4,f=-3.2!) USER MOD Set 1.2: A 44 SER OG : rot -105:sc= 1.29 USER MOD Set 2.1: A 12 TYR OH : rot -140:sc= 0.0911 USER MOD Set 2.2: A 17 ASN : amide:sc= 0.0168 K(o=0.11,f=-0.44) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc=-0.00187 K(o=-0.0019,f=-0.79) USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.21) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.292 F(o=-1.1,f=-0.29) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0464 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.834 X(o=-0.83,f=-1.2) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= 0.402 K(o=0.4,f=-4.7!) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= -0.0395 (180deg=-0.24) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.121 F(o=-1.3!,f=-0.12) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.81) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.11 K(o=1.1,f=-0.89) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 3.725 11.564 3.967 1.00 13.42 N ATOM 21 CA ALA A 2 2.314 11.720 4.274 1.00 44.41 C ATOM 22 C ALA A 2 1.921 10.583 5.194 1.00 64.11 C ATOM 23 O ALA A 2 2.281 9.447 4.934 1.00 71.41 O ATOM 24 CB ALA A 2 1.484 11.696 2.995 1.00 31.21 C ATOM 0 HA ALA A 2 2.130 12.678 4.759 1.00 44.41 H new ATOM 0 HB1 ALA A 2 0.429 11.814 3.243 1.00 31.21 H new ATOM 0 HB2 ALA A 2 1.797 12.512 2.343 1.00 31.21 H new ATOM 0 HB3 ALA A 2 1.632 10.745 2.483 1.00 31.21 H new ATOM 30 N THR A 3 1.223 10.873 6.260 1.00 1.53 N ATOM 31 CA THR A 3 0.885 9.853 7.239 1.00 55.23 C ATOM 32 C THR A 3 -0.626 9.668 7.374 1.00 34.55 C ATOM 33 O THR A 3 -1.390 10.628 7.189 1.00 52.14 O ATOM 34 CB THR A 3 1.517 10.182 8.618 1.00 74.15 C ATOM 35 OG1 THR A 3 1.167 11.528 9.017 1.00 11.02 O ATOM 36 CG2 THR A 3 3.037 10.045 8.574 1.00 64.45 C ATOM 0 H THR A 3 0.873 11.806 6.480 1.00 1.53 H new ATOM 0 HA THR A 3 1.300 8.911 6.879 1.00 55.23 H new ATOM 0 HB THR A 3 1.125 9.470 9.344 1.00 74.15 H new ATOM 0 HG1 THR A 3 1.569 11.726 9.889 1.00 11.02 H new ATOM 0 HG21 THR A 3 3.452 10.282 9.554 1.00 64.45 H new ATOM 0 HG22 THR A 3 3.303 9.023 8.305 1.00 64.45 H new ATOM 0 HG23 THR A 3 3.443 10.733 7.832 1.00 64.45 H new ATOM 44 N ASN A 4 -1.039 8.432 7.686 1.00 23.22 N ATOM 45 CA ASN A 4 -2.448 8.054 7.865 1.00 3.41 C ATOM 46 C ASN A 4 -3.257 8.341 6.626 1.00 44.10 C ATOM 47 O ASN A 4 -3.963 9.354 6.523 1.00 71.21 O ATOM 48 CB ASN A 4 -3.094 8.681 9.117 1.00 20.14 C ATOM 49 CG ASN A 4 -2.421 8.249 10.407 1.00 32.51 C ATOM 50 OD1 ASN A 4 -1.875 7.147 10.502 1.00 40.05 O ATOM 51 ND2 ASN A 4 -2.450 9.102 11.403 1.00 11.32 N ATOM 0 H ASN A 4 -0.393 7.654 7.823 1.00 23.22 H new ATOM 0 HA ASN A 4 -2.452 6.977 8.031 1.00 3.41 H new ATOM 0 HB2 ASN A 4 -3.051 9.767 9.037 1.00 20.14 H new ATOM 0 HB3 ASN A 4 -4.148 8.405 9.153 1.00 20.14 H new ATOM 0 HD21 ASN A 4 -2.012 8.863 12.292 1.00 11.32 H new ATOM 0 HD22 ASN A 4 -2.911 10.005 11.288 1.00 11.32 H new ATOM 58 N ILE A 5 -3.103 7.496 5.669 1.00 51.34 N ATOM 59 CA ILE A 5 -3.754 7.639 4.402 1.00 34.32 C ATOM 60 C ILE A 5 -4.849 6.606 4.249 1.00 15.00 C ATOM 61 O ILE A 5 -4.822 5.550 4.899 1.00 33.32 O ATOM 62 CB ILE A 5 -2.714 7.471 3.273 1.00 52.32 C ATOM 63 CG1 ILE A 5 -1.583 8.454 3.504 1.00 54.30 C ATOM 64 CG2 ILE A 5 -3.326 7.652 1.880 1.00 42.21 C ATOM 65 CD1 ILE A 5 -0.570 8.464 2.426 1.00 12.41 C ATOM 0 H ILE A 5 -2.511 6.668 5.740 1.00 51.34 H new ATOM 0 HA ILE A 5 -4.204 8.630 4.343 1.00 34.32 H new ATOM 0 HB ILE A 5 -2.333 6.450 3.303 1.00 52.32 H new ATOM 0 HG12 ILE A 5 -2.000 9.456 3.607 1.00 54.30 H new ATOM 0 HG13 ILE A 5 -1.093 8.214 4.448 1.00 54.30 H new ATOM 0 HG21 ILE A 5 -2.552 7.524 1.123 1.00 42.21 H new ATOM 0 HG22 ILE A 5 -4.109 6.910 1.727 1.00 42.21 H new ATOM 0 HG23 ILE A 5 -3.752 8.652 1.797 1.00 42.21 H new ATOM 0 HD11 ILE A 5 0.206 9.192 2.663 1.00 12.41 H new ATOM 0 HD12 ILE A 5 -0.124 7.474 2.337 1.00 12.41 H new ATOM 0 HD13 ILE A 5 -1.045 8.734 1.483 1.00 12.41 H new ATOM 77 N VAL A 6 -5.817 6.926 3.439 1.00 14.04 N ATOM 78 CA VAL A 6 -6.879 6.029 3.114 1.00 32.22 C ATOM 79 C VAL A 6 -6.656 5.466 1.749 1.00 44.41 C ATOM 80 O VAL A 6 -6.416 6.209 0.790 1.00 51.14 O ATOM 81 CB VAL A 6 -8.264 6.716 3.099 1.00 41.13 C ATOM 82 CG1 VAL A 6 -9.336 5.758 2.552 1.00 54.20 C ATOM 83 CG2 VAL A 6 -8.646 7.220 4.479 1.00 14.24 C ATOM 0 H VAL A 6 -5.888 7.834 2.980 1.00 14.04 H new ATOM 0 HA VAL A 6 -6.876 5.259 3.885 1.00 32.22 H new ATOM 0 HB VAL A 6 -8.202 7.580 2.437 1.00 41.13 H new ATOM 0 HG11 VAL A 6 -10.304 6.259 2.549 1.00 54.20 H new ATOM 0 HG12 VAL A 6 -9.076 5.464 1.535 1.00 54.20 H new ATOM 0 HG13 VAL A 6 -9.388 4.871 3.184 1.00 54.20 H new ATOM 0 HG21 VAL A 6 -9.625 7.698 4.434 1.00 14.24 H new ATOM 0 HG22 VAL A 6 -8.683 6.382 5.175 1.00 14.24 H new ATOM 0 HG23 VAL A 6 -7.905 7.943 4.820 1.00 14.24 H new ATOM 93 N GLY A 7 -6.731 4.199 1.665 1.00 12.40 N ATOM 94 CA GLY A 7 -6.711 3.558 0.421 1.00 13.34 C ATOM 95 C GLY A 7 -7.302 2.207 0.521 1.00 63.23 C ATOM 96 O GLY A 7 -7.632 1.764 1.593 1.00 52.34 O ATOM 0 H GLY A 7 -6.809 3.573 2.467 1.00 12.40 H new ATOM 0 HA2 GLY A 7 -7.265 4.150 -0.308 1.00 13.34 H new ATOM 0 HA3 GLY A 7 -5.685 3.486 0.060 1.00 13.34 H new ATOM 100 N LYS A 8 -7.487 1.598 -0.576 1.00 35.44 N ATOM 101 CA LYS A 8 -7.920 0.249 -0.658 1.00 41.11 C ATOM 102 C LYS A 8 -6.938 -0.517 -1.515 1.00 73.31 C ATOM 103 O LYS A 8 -6.427 0.022 -2.504 1.00 63.22 O ATOM 104 CB LYS A 8 -9.337 0.173 -1.242 1.00 44.10 C ATOM 105 CG LYS A 8 -9.840 -1.245 -1.444 1.00 32.41 C ATOM 106 CD LYS A 8 -11.279 -1.290 -1.933 1.00 33.50 C ATOM 107 CE LYS A 8 -12.258 -0.800 -0.877 1.00 34.04 C ATOM 108 NZ LYS A 8 -13.659 -0.875 -1.340 1.00 42.44 N ATOM 0 H LYS A 8 -7.338 2.034 -1.486 1.00 35.44 H new ATOM 0 HA LYS A 8 -7.955 -0.192 0.338 1.00 41.11 H new ATOM 0 HB2 LYS A 8 -10.022 0.701 -0.579 1.00 44.10 H new ATOM 0 HB3 LYS A 8 -9.354 0.695 -2.199 1.00 44.10 H new ATOM 0 HG2 LYS A 8 -9.199 -1.755 -2.164 1.00 32.41 H new ATOM 0 HG3 LYS A 8 -9.762 -1.792 -0.504 1.00 32.41 H new ATOM 0 HD2 LYS A 8 -11.376 -0.677 -2.829 1.00 33.50 H new ATOM 0 HD3 LYS A 8 -11.533 -2.311 -2.216 1.00 33.50 H new ATOM 0 HE2 LYS A 8 -12.143 -1.397 0.028 1.00 34.04 H new ATOM 0 HE3 LYS A 8 -12.019 0.230 -0.612 1.00 34.04 H new ATOM 0 HZ1 LYS A 8 -14.283 -0.438 -0.631 1.00 42.44 H new ATOM 0 HZ2 LYS A 8 -13.754 -0.369 -2.244 1.00 42.44 H new ATOM 0 HZ3 LYS A 8 -13.928 -1.871 -1.471 1.00 42.44 H new ATOM 122 N VAL A 9 -6.643 -1.734 -1.119 1.00 44.40 N ATOM 123 CA VAL A 9 -5.737 -2.584 -1.855 1.00 5.51 C ATOM 124 C VAL A 9 -6.243 -2.757 -3.276 1.00 55.34 C ATOM 125 O VAL A 9 -7.302 -3.340 -3.509 1.00 22.02 O ATOM 126 CB VAL A 9 -5.546 -3.965 -1.173 1.00 31.04 C ATOM 127 CG1 VAL A 9 -4.600 -4.846 -1.977 1.00 61.21 C ATOM 128 CG2 VAL A 9 -5.021 -3.794 0.246 1.00 22.43 C ATOM 0 H VAL A 9 -7.025 -2.163 -0.276 1.00 44.40 H new ATOM 0 HA VAL A 9 -4.760 -2.100 -1.870 1.00 5.51 H new ATOM 0 HB VAL A 9 -6.519 -4.454 -1.132 1.00 31.04 H new ATOM 0 HG11 VAL A 9 -4.484 -5.807 -1.476 1.00 61.21 H new ATOM 0 HG12 VAL A 9 -5.009 -5.004 -2.975 1.00 61.21 H new ATOM 0 HG13 VAL A 9 -3.628 -4.359 -2.056 1.00 61.21 H new ATOM 0 HG21 VAL A 9 -4.894 -4.773 0.707 1.00 22.43 H new ATOM 0 HG22 VAL A 9 -4.061 -3.278 0.219 1.00 22.43 H new ATOM 0 HG23 VAL A 9 -5.732 -3.208 0.829 1.00 22.43 H new ATOM 138 N LYS A 10 -5.493 -2.208 -4.189 1.00 21.41 N ATOM 139 CA LYS A 10 -5.821 -2.201 -5.589 1.00 1.33 C ATOM 140 C LYS A 10 -5.472 -3.560 -6.191 1.00 5.20 C ATOM 141 O LYS A 10 -6.240 -4.127 -6.972 1.00 34.04 O ATOM 142 CB LYS A 10 -5.045 -1.051 -6.213 1.00 30.01 C ATOM 143 CG LYS A 10 -5.232 -0.771 -7.676 1.00 23.31 C ATOM 144 CD LYS A 10 -4.447 0.485 -8.015 1.00 43.41 C ATOM 145 CE LYS A 10 -4.425 0.807 -9.482 1.00 11.23 C ATOM 146 NZ LYS A 10 -5.775 1.001 -10.039 1.00 25.44 N ATOM 0 H LYS A 10 -4.612 -1.740 -3.976 1.00 21.41 H new ATOM 0 HA LYS A 10 -6.884 -2.048 -5.775 1.00 1.33 H new ATOM 0 HB2 LYS A 10 -5.301 -0.143 -5.666 1.00 30.01 H new ATOM 0 HB3 LYS A 10 -3.984 -1.237 -6.044 1.00 30.01 H new ATOM 0 HG2 LYS A 10 -4.882 -1.613 -8.273 1.00 23.31 H new ATOM 0 HG3 LYS A 10 -6.289 -0.634 -7.906 1.00 23.31 H new ATOM 0 HD2 LYS A 10 -4.876 1.328 -7.474 1.00 43.41 H new ATOM 0 HD3 LYS A 10 -3.422 0.368 -7.662 1.00 43.41 H new ATOM 0 HE2 LYS A 10 -3.836 1.710 -9.643 1.00 11.23 H new ATOM 0 HE3 LYS A 10 -3.926 0.001 -10.020 1.00 11.23 H new ATOM 0 HZ1 LYS A 10 -5.704 1.221 -11.053 1.00 25.44 H new ATOM 0 HZ2 LYS A 10 -6.331 0.132 -9.911 1.00 25.44 H new ATOM 0 HZ3 LYS A 10 -6.244 1.788 -9.546 1.00 25.44 H new ATOM 160 N TRP A 11 -4.316 -4.061 -5.807 1.00 42.43 N ATOM 161 CA TRP A 11 -3.861 -5.412 -6.127 1.00 41.30 C ATOM 162 C TRP A 11 -2.552 -5.662 -5.451 1.00 53.00 C ATOM 163 O TRP A 11 -1.872 -4.717 -5.063 1.00 52.43 O ATOM 164 CB TRP A 11 -3.751 -5.719 -7.648 1.00 53.45 C ATOM 165 CG TRP A 11 -2.784 -4.884 -8.442 1.00 52.21 C ATOM 166 CD1 TRP A 11 -3.036 -3.716 -9.103 1.00 34.53 C ATOM 167 CD2 TRP A 11 -1.413 -5.188 -8.677 1.00 73.40 C ATOM 168 NE1 TRP A 11 -1.890 -3.279 -9.728 1.00 25.15 N ATOM 169 CE2 TRP A 11 -0.882 -4.170 -9.477 1.00 15.44 C ATOM 170 CE3 TRP A 11 -0.589 -6.226 -8.279 1.00 62.02 C ATOM 171 CZ2 TRP A 11 0.448 -4.165 -9.887 1.00 42.14 C ATOM 172 CZ3 TRP A 11 0.730 -6.223 -8.681 1.00 72.32 C ATOM 173 CH2 TRP A 11 1.236 -5.200 -9.479 1.00 33.23 C ATOM 0 H TRP A 11 -3.645 -3.532 -5.250 1.00 42.43 H new ATOM 0 HA TRP A 11 -4.630 -6.090 -5.756 1.00 41.30 H new ATOM 0 HB2 TRP A 11 -3.470 -6.766 -7.763 1.00 53.45 H new ATOM 0 HB3 TRP A 11 -4.741 -5.604 -8.090 1.00 53.45 H new ATOM 0 HD1 TRP A 11 -3.990 -3.211 -9.131 1.00 34.53 H new ATOM 0 HE1 TRP A 11 -1.806 -2.430 -10.287 1.00 25.15 H new ATOM 0 HE3 TRP A 11 -0.973 -7.026 -7.663 1.00 62.02 H new ATOM 0 HZ2 TRP A 11 0.841 -3.371 -10.505 1.00 42.14 H new ATOM 0 HZ3 TRP A 11 1.381 -7.027 -8.372 1.00 72.32 H new ATOM 0 HH2 TRP A 11 2.273 -5.227 -9.780 1.00 33.23 H new ATOM 184 N TYR A 12 -2.208 -6.904 -5.295 1.00 64.23 N ATOM 185 CA TYR A 12 -0.958 -7.281 -4.686 1.00 21.31 C ATOM 186 C TYR A 12 -0.549 -8.659 -5.151 1.00 34.23 C ATOM 187 O TYR A 12 -1.296 -9.629 -4.996 1.00 13.22 O ATOM 188 CB TYR A 12 -1.060 -7.239 -3.147 1.00 35.20 C ATOM 189 CG TYR A 12 0.224 -7.612 -2.414 1.00 72.03 C ATOM 190 CD1 TYR A 12 1.249 -6.691 -2.259 1.00 14.30 C ATOM 191 CD2 TYR A 12 0.400 -8.884 -1.882 1.00 4.03 C ATOM 192 CE1 TYR A 12 2.417 -7.026 -1.592 1.00 32.22 C ATOM 193 CE2 TYR A 12 1.561 -9.225 -1.215 1.00 43.35 C ATOM 194 CZ TYR A 12 2.565 -8.295 -1.072 1.00 1.04 C ATOM 195 OH TYR A 12 3.725 -8.634 -0.398 1.00 12.34 O ATOM 0 H TYR A 12 -2.786 -7.692 -5.586 1.00 64.23 H new ATOM 0 HA TYR A 12 -0.196 -6.565 -4.993 1.00 21.31 H new ATOM 0 HB2 TYR A 12 -1.357 -6.235 -2.843 1.00 35.20 H new ATOM 0 HB3 TYR A 12 -1.853 -7.916 -2.830 1.00 35.20 H new ATOM 0 HD1 TYR A 12 1.135 -5.697 -2.665 1.00 14.30 H new ATOM 0 HD2 TYR A 12 -0.384 -9.618 -1.992 1.00 4.03 H new ATOM 0 HE1 TYR A 12 3.207 -6.298 -1.480 1.00 32.22 H new ATOM 0 HE2 TYR A 12 1.680 -10.218 -0.807 1.00 43.35 H new ATOM 0 HH TYR A 12 3.989 -9.547 -0.639 1.00 12.34 H new ATOM 205 N ASN A 13 0.609 -8.747 -5.740 1.00 55.33 N ATOM 206 CA ASN A 13 1.148 -10.016 -6.164 1.00 40.44 C ATOM 207 C ASN A 13 2.237 -10.416 -5.218 1.00 22.43 C ATOM 208 O ASN A 13 3.340 -9.874 -5.265 1.00 54.32 O ATOM 209 CB ASN A 13 1.670 -9.983 -7.616 1.00 72.15 C ATOM 210 CG ASN A 13 0.576 -9.783 -8.664 1.00 43.12 C ATOM 211 OD1 ASN A 13 -0.609 -10.284 -8.408 1.00 44.05 O flip ATOM 212 ND2 ASN A 13 0.815 -9.193 -9.719 1.00 24.23 N flip ATOM 0 H ASN A 13 1.208 -7.946 -5.941 1.00 55.33 H new ATOM 0 HA ASN A 13 0.344 -10.752 -6.147 1.00 40.44 H new ATOM 0 HB2 ASN A 13 2.401 -9.180 -7.711 1.00 72.15 H new ATOM 0 HB3 ASN A 13 2.193 -10.916 -7.825 1.00 72.15 H new ATOM 0 HD21 ASN A 13 1.746 -8.813 -9.891 1.00 24.23 H new ATOM 0 HD22 ASN A 13 0.082 -9.084 -10.420 1.00 24.23 H new ATOM 219 N SER A 14 1.928 -11.355 -4.356 1.00 72.43 N ATOM 220 CA SER A 14 2.826 -11.821 -3.319 1.00 21.22 C ATOM 221 C SER A 14 4.081 -12.482 -3.887 1.00 72.40 C ATOM 222 O SER A 14 5.120 -12.518 -3.240 1.00 14.32 O ATOM 223 CB SER A 14 2.059 -12.753 -2.394 1.00 32.55 C ATOM 224 OG SER A 14 1.300 -13.682 -3.159 1.00 15.30 O ATOM 0 H SER A 14 1.025 -11.829 -4.354 1.00 72.43 H new ATOM 0 HA SER A 14 3.185 -10.963 -2.751 1.00 21.22 H new ATOM 0 HB2 SER A 14 2.753 -13.286 -1.744 1.00 32.55 H new ATOM 0 HB3 SER A 14 1.398 -12.175 -1.748 1.00 32.55 H new ATOM 0 HG SER A 14 0.810 -14.280 -2.556 1.00 15.30 H new ATOM 230 N THR A 15 3.984 -12.959 -5.105 1.00 41.13 N ATOM 231 CA THR A 15 5.099 -13.586 -5.769 1.00 52.40 C ATOM 232 C THR A 15 6.202 -12.542 -6.072 1.00 30.54 C ATOM 233 O THR A 15 7.383 -12.867 -6.106 1.00 21.53 O ATOM 234 CB THR A 15 4.611 -14.270 -7.061 1.00 71.24 C ATOM 235 OG1 THR A 15 3.511 -15.135 -6.719 1.00 71.11 O ATOM 236 CG2 THR A 15 5.719 -15.103 -7.701 1.00 65.31 C ATOM 0 H THR A 15 3.130 -12.923 -5.662 1.00 41.13 H new ATOM 0 HA THR A 15 5.530 -14.344 -5.115 1.00 52.40 H new ATOM 0 HB THR A 15 4.307 -13.505 -7.776 1.00 71.24 H new ATOM 0 HG1 THR A 15 3.182 -15.581 -7.527 1.00 71.11 H new ATOM 0 HG21 THR A 15 5.343 -15.572 -8.610 1.00 65.31 H new ATOM 0 HG22 THR A 15 6.562 -14.458 -7.948 1.00 65.31 H new ATOM 0 HG23 THR A 15 6.044 -15.874 -7.003 1.00 65.31 H new ATOM 244 N LYS A 16 5.800 -11.285 -6.262 1.00 61.24 N ATOM 245 CA LYS A 16 6.767 -10.221 -6.528 1.00 62.20 C ATOM 246 C LYS A 16 6.851 -9.273 -5.340 1.00 1.11 C ATOM 247 O LYS A 16 7.726 -8.405 -5.287 1.00 30.42 O ATOM 248 CB LYS A 16 6.347 -9.412 -7.755 1.00 11.21 C ATOM 249 CG LYS A 16 6.209 -10.213 -9.032 1.00 1.21 C ATOM 250 CD LYS A 16 5.771 -9.313 -10.171 1.00 75.43 C ATOM 251 CE LYS A 16 5.581 -10.092 -11.456 1.00 21.02 C ATOM 252 NZ LYS A 16 5.131 -9.222 -12.564 1.00 23.13 N ATOM 0 H LYS A 16 4.826 -10.982 -6.237 1.00 61.24 H new ATOM 0 HA LYS A 16 7.736 -10.688 -6.704 1.00 62.20 H new ATOM 0 HB2 LYS A 16 5.394 -8.927 -7.543 1.00 11.21 H new ATOM 0 HB3 LYS A 16 7.078 -8.620 -7.918 1.00 11.21 H new ATOM 0 HG2 LYS A 16 7.160 -10.686 -9.278 1.00 1.21 H new ATOM 0 HG3 LYS A 16 5.482 -11.013 -8.891 1.00 1.21 H new ATOM 0 HD2 LYS A 16 4.838 -8.816 -9.905 1.00 75.43 H new ATOM 0 HD3 LYS A 16 6.515 -8.532 -10.325 1.00 75.43 H new ATOM 0 HE2 LYS A 16 6.519 -10.575 -11.731 1.00 21.02 H new ATOM 0 HE3 LYS A 16 4.850 -10.884 -11.296 1.00 21.02 H new ATOM 0 HZ1 LYS A 16 5.012 -9.791 -13.426 1.00 23.13 H new ATOM 0 HZ2 LYS A 16 4.223 -8.781 -12.312 1.00 23.13 H new ATOM 0 HZ3 LYS A 16 5.841 -8.481 -12.734 1.00 23.13 H new ATOM 266 N ASN A 17 5.941 -9.464 -4.378 1.00 32.00 N ATOM 267 CA ASN A 17 5.820 -8.607 -3.189 1.00 63.21 C ATOM 268 C ASN A 17 5.572 -7.141 -3.533 1.00 64.14 C ATOM 269 O ASN A 17 5.886 -6.234 -2.754 1.00 74.43 O ATOM 270 CB ASN A 17 7.011 -8.795 -2.281 1.00 51.43 C ATOM 271 CG ASN A 17 6.957 -10.132 -1.577 1.00 44.02 C ATOM 272 OD1 ASN A 17 5.880 -10.612 -1.190 1.00 2.54 O ATOM 273 ND2 ASN A 17 8.068 -10.768 -1.474 1.00 20.51 N ATOM 0 H ASN A 17 5.261 -10.224 -4.401 1.00 32.00 H new ATOM 0 HA ASN A 17 4.930 -8.925 -2.646 1.00 63.21 H new ATOM 0 HB2 ASN A 17 7.930 -8.725 -2.863 1.00 51.43 H new ATOM 0 HB3 ASN A 17 7.039 -7.993 -1.543 1.00 51.43 H new ATOM 0 HD21 ASN A 17 8.085 -11.701 -1.062 1.00 20.51 H new ATOM 0 HD22 ASN A 17 8.933 -10.340 -1.804 1.00 20.51 H new ATOM 280 N PHE A 18 4.967 -6.921 -4.678 1.00 41.13 N ATOM 281 CA PHE A 18 4.566 -5.599 -5.112 1.00 61.44 C ATOM 282 C PHE A 18 3.093 -5.585 -5.422 1.00 44.33 C ATOM 283 O PHE A 18 2.497 -6.627 -5.745 1.00 21.01 O ATOM 284 CB PHE A 18 5.349 -5.102 -6.345 1.00 22.32 C ATOM 285 CG PHE A 18 6.787 -4.737 -6.096 1.00 14.11 C ATOM 286 CD1 PHE A 18 7.104 -3.542 -5.469 1.00 54.11 C ATOM 287 CD2 PHE A 18 7.813 -5.565 -6.502 1.00 71.33 C ATOM 288 CE1 PHE A 18 8.417 -3.186 -5.245 1.00 63.54 C ATOM 289 CE2 PHE A 18 9.131 -5.213 -6.284 1.00 61.31 C ATOM 290 CZ PHE A 18 9.433 -4.022 -5.654 1.00 62.21 C ATOM 0 H PHE A 18 4.737 -7.661 -5.342 1.00 41.13 H new ATOM 0 HA PHE A 18 4.792 -4.921 -4.289 1.00 61.44 H new ATOM 0 HB2 PHE A 18 5.317 -5.877 -7.111 1.00 22.32 H new ATOM 0 HB3 PHE A 18 4.836 -4.230 -6.752 1.00 22.32 H new ATOM 0 HD1 PHE A 18 6.311 -2.881 -5.152 1.00 54.11 H new ATOM 0 HD2 PHE A 18 7.584 -6.498 -6.995 1.00 71.33 H new ATOM 0 HE1 PHE A 18 8.649 -2.254 -4.750 1.00 63.54 H new ATOM 0 HE2 PHE A 18 9.925 -5.870 -6.606 1.00 61.31 H new ATOM 0 HZ PHE A 18 10.463 -3.746 -5.482 1.00 62.21 H new ATOM 300 N GLY A 19 2.516 -4.437 -5.301 1.00 11.42 N ATOM 301 CA GLY A 19 1.146 -4.245 -5.612 1.00 54.23 C ATOM 302 C GLY A 19 0.831 -2.791 -5.603 1.00 5.41 C ATOM 303 O GLY A 19 1.740 -1.974 -5.535 1.00 10.33 O ATOM 0 H GLY A 19 2.993 -3.595 -4.978 1.00 11.42 H new ATOM 0 HA2 GLY A 19 0.922 -4.670 -6.590 1.00 54.23 H new ATOM 0 HA3 GLY A 19 0.522 -4.767 -4.887 1.00 54.23 H new ATOM 307 N PHE A 20 -0.419 -2.456 -5.646 1.00 74.01 N ATOM 308 CA PHE A 20 -0.855 -1.080 -5.611 1.00 13.42 C ATOM 309 C PHE A 20 -2.009 -0.893 -4.684 1.00 70.35 C ATOM 310 O PHE A 20 -2.682 -1.858 -4.293 1.00 61.55 O ATOM 311 CB PHE A 20 -1.212 -0.517 -6.985 1.00 53.52 C ATOM 312 CG PHE A 20 -0.052 -0.154 -7.865 1.00 21.11 C ATOM 313 CD1 PHE A 20 0.574 -1.096 -8.644 1.00 3.02 C ATOM 314 CD2 PHE A 20 0.403 1.152 -7.911 1.00 24.12 C ATOM 315 CE1 PHE A 20 1.633 -0.756 -9.454 1.00 51.41 C ATOM 316 CE2 PHE A 20 1.462 1.504 -8.719 1.00 4.31 C ATOM 317 CZ PHE A 20 2.078 0.546 -9.493 1.00 62.11 C ATOM 0 H PHE A 20 -1.181 -3.131 -5.707 1.00 74.01 H new ATOM 0 HA PHE A 20 0.005 -0.520 -5.242 1.00 13.42 H new ATOM 0 HB2 PHE A 20 -1.825 -1.250 -7.509 1.00 53.52 H new ATOM 0 HB3 PHE A 20 -1.828 0.371 -6.844 1.00 53.52 H new ATOM 0 HD1 PHE A 20 0.230 -2.119 -8.620 1.00 3.02 H new ATOM 0 HD2 PHE A 20 -0.078 1.906 -7.305 1.00 24.12 H new ATOM 0 HE1 PHE A 20 2.115 -1.510 -10.059 1.00 51.41 H new ATOM 0 HE2 PHE A 20 1.808 2.527 -8.745 1.00 4.31 H new ATOM 0 HZ PHE A 20 2.908 0.816 -10.129 1.00 62.11 H new ATOM 327 N ILE A 21 -2.248 0.341 -4.353 1.00 13.20 N ATOM 328 CA ILE A 21 -3.295 0.749 -3.466 1.00 42.32 C ATOM 329 C ILE A 21 -3.839 2.082 -3.954 1.00 52.21 C ATOM 330 O ILE A 21 -3.063 2.960 -4.356 1.00 43.02 O ATOM 331 CB ILE A 21 -2.759 0.945 -2.003 1.00 2.30 C ATOM 332 CG1 ILE A 21 -2.111 -0.338 -1.468 1.00 24.21 C ATOM 333 CG2 ILE A 21 -3.877 1.394 -1.078 1.00 50.24 C ATOM 334 CD1 ILE A 21 -1.536 -0.209 -0.070 1.00 54.04 C ATOM 0 H ILE A 21 -1.696 1.122 -4.708 1.00 13.20 H new ATOM 0 HA ILE A 21 -4.065 -0.023 -3.456 1.00 42.32 H new ATOM 0 HB ILE A 21 -1.995 1.722 -2.034 1.00 2.30 H new ATOM 0 HG12 ILE A 21 -2.854 -1.135 -1.471 1.00 24.21 H new ATOM 0 HG13 ILE A 21 -1.316 -0.641 -2.149 1.00 24.21 H new ATOM 0 HG21 ILE A 21 -3.485 1.524 -0.069 1.00 50.24 H new ATOM 0 HG22 ILE A 21 -4.285 2.340 -1.433 1.00 50.24 H new ATOM 0 HG23 ILE A 21 -4.665 0.640 -1.067 1.00 50.24 H new ATOM 0 HD11 ILE A 21 -1.097 -1.160 0.232 1.00 54.04 H new ATOM 0 HD12 ILE A 21 -0.767 0.564 -0.063 1.00 54.04 H new ATOM 0 HD13 ILE A 21 -2.330 0.062 0.626 1.00 54.04 H new ATOM 346 N GLU A 22 -5.139 2.208 -3.980 1.00 12.31 N ATOM 347 CA GLU A 22 -5.785 3.469 -4.270 1.00 71.50 C ATOM 348 C GLU A 22 -6.995 3.510 -3.400 1.00 3.43 C ATOM 349 O GLU A 22 -7.573 2.462 -3.124 1.00 35.04 O ATOM 350 CB GLU A 22 -6.221 3.609 -5.745 1.00 21.14 C ATOM 351 CG GLU A 22 -7.317 2.647 -6.167 1.00 34.40 C ATOM 352 CD GLU A 22 -7.874 2.950 -7.530 1.00 61.45 C ATOM 353 OE1 GLU A 22 -8.809 3.762 -7.631 1.00 65.13 O ATOM 354 OE2 GLU A 22 -7.412 2.353 -8.514 1.00 12.44 O ATOM 0 H GLU A 22 -5.785 1.440 -3.801 1.00 12.31 H new ATOM 0 HA GLU A 22 -5.085 4.284 -4.085 1.00 71.50 H new ATOM 0 HB2 GLU A 22 -6.564 4.629 -5.915 1.00 21.14 H new ATOM 0 HB3 GLU A 22 -5.352 3.454 -6.385 1.00 21.14 H new ATOM 0 HG2 GLU A 22 -6.923 1.631 -6.160 1.00 34.40 H new ATOM 0 HG3 GLU A 22 -8.124 2.681 -5.435 1.00 34.40 H new ATOM 361 N GLN A 23 -7.390 4.647 -2.933 1.00 61.04 N ATOM 362 CA GLN A 23 -8.574 4.664 -2.132 1.00 43.15 C ATOM 363 C GLN A 23 -9.757 4.439 -2.997 1.00 61.12 C ATOM 364 O GLN A 23 -9.796 4.877 -4.159 1.00 11.15 O ATOM 365 CB GLN A 23 -8.728 5.923 -1.283 1.00 15.43 C ATOM 366 CG GLN A 23 -8.986 7.172 -2.057 1.00 41.14 C ATOM 367 CD GLN A 23 -9.010 8.413 -1.199 1.00 52.30 C ATOM 368 OE1 GLN A 23 -9.719 9.353 -1.500 1.00 54.32 O ATOM 369 NE2 GLN A 23 -8.215 8.441 -0.158 1.00 54.43 N ATOM 0 H GLN A 23 -6.933 5.547 -3.082 1.00 61.04 H new ATOM 0 HA GLN A 23 -8.487 3.852 -1.410 1.00 43.15 H new ATOM 0 HB2 GLN A 23 -9.547 5.772 -0.580 1.00 15.43 H new ATOM 0 HB3 GLN A 23 -7.822 6.059 -0.692 1.00 15.43 H new ATOM 0 HG2 GLN A 23 -8.217 7.282 -2.822 1.00 41.14 H new ATOM 0 HG3 GLN A 23 -9.940 7.079 -2.576 1.00 41.14 H new ATOM 0 HE21 GLN A 23 -7.635 7.632 0.062 1.00 54.43 H new ATOM 0 HE22 GLN A 23 -8.176 9.272 0.432 1.00 54.43 H new ATOM 378 N ASP A 24 -10.702 3.752 -2.442 1.00 64.44 N ATOM 379 CA ASP A 24 -11.954 3.390 -3.127 1.00 74.42 C ATOM 380 C ASP A 24 -12.644 4.630 -3.700 1.00 62.33 C ATOM 381 O ASP A 24 -13.346 4.558 -4.699 1.00 0.21 O ATOM 382 CB ASP A 24 -12.875 2.695 -2.143 1.00 10.32 C ATOM 383 CG ASP A 24 -14.129 2.115 -2.775 1.00 21.34 C ATOM 384 OD1 ASP A 24 -14.070 0.971 -3.284 1.00 44.45 O ATOM 385 OD2 ASP A 24 -15.181 2.774 -2.743 1.00 12.23 O ATOM 0 H ASP A 24 -10.649 3.408 -1.483 1.00 64.44 H new ATOM 0 HA ASP A 24 -11.721 2.721 -3.955 1.00 74.42 H new ATOM 0 HB2 ASP A 24 -12.325 1.894 -1.650 1.00 10.32 H new ATOM 0 HB3 ASP A 24 -13.166 3.405 -1.369 1.00 10.32 H new ATOM 390 N ASN A 25 -12.364 5.773 -3.088 1.00 2.11 N ATOM 391 CA ASN A 25 -12.941 7.061 -3.497 1.00 50.43 C ATOM 392 C ASN A 25 -12.263 7.629 -4.753 1.00 43.12 C ATOM 393 O ASN A 25 -12.581 8.737 -5.183 1.00 51.44 O ATOM 394 CB ASN A 25 -12.871 8.108 -2.361 1.00 34.21 C ATOM 395 CG ASN A 25 -13.653 7.721 -1.118 1.00 23.31 C ATOM 396 OD1 ASN A 25 -14.843 7.993 -1.016 1.00 42.20 O ATOM 397 ND2 ASN A 25 -12.987 7.138 -0.147 1.00 64.31 N ATOM 0 H ASN A 25 -11.730 5.841 -2.292 1.00 2.11 H new ATOM 0 HA ASN A 25 -13.987 6.859 -3.729 1.00 50.43 H new ATOM 0 HB2 ASN A 25 -11.827 8.264 -2.088 1.00 34.21 H new ATOM 0 HB3 ASN A 25 -13.249 9.060 -2.734 1.00 34.21 H new ATOM 0 HD21 ASN A 25 -13.461 6.898 0.724 1.00 64.31 H new ATOM 0 HD22 ASN A 25 -11.996 6.925 -0.264 1.00 64.31 H new ATOM 404 N GLY A 26 -11.328 6.888 -5.330 1.00 31.20 N ATOM 405 CA GLY A 26 -10.681 7.346 -6.545 1.00 72.43 C ATOM 406 C GLY A 26 -9.507 8.249 -6.260 1.00 2.04 C ATOM 407 O GLY A 26 -9.429 9.360 -6.785 1.00 3.13 O ATOM 0 H GLY A 26 -11.007 5.984 -4.983 1.00 31.20 H new ATOM 0 HA2 GLY A 26 -10.343 6.485 -7.121 1.00 72.43 H new ATOM 0 HA3 GLY A 26 -11.405 7.878 -7.162 1.00 72.43 H new ATOM 411 N GLY A 27 -8.612 7.797 -5.411 1.00 45.22 N ATOM 412 CA GLY A 27 -7.471 8.618 -5.040 1.00 41.01 C ATOM 413 C GLY A 27 -6.277 8.428 -5.958 1.00 42.35 C ATOM 414 O GLY A 27 -6.430 8.240 -7.170 1.00 32.40 O ATOM 0 H GLY A 27 -8.646 6.879 -4.967 1.00 45.22 H new ATOM 0 HA2 GLY A 27 -7.767 9.667 -5.051 1.00 41.01 H new ATOM 0 HA3 GLY A 27 -7.177 8.380 -4.018 1.00 41.01 H new ATOM 418 N LYS A 28 -5.097 8.473 -5.388 1.00 22.54 N ATOM 419 CA LYS A 28 -3.868 8.333 -6.145 1.00 72.02 C ATOM 420 C LYS A 28 -3.420 6.888 -6.154 1.00 54.42 C ATOM 421 O LYS A 28 -3.897 6.084 -5.349 1.00 33.54 O ATOM 422 CB LYS A 28 -2.774 9.200 -5.543 1.00 33.15 C ATOM 423 CG LYS A 28 -3.132 10.665 -5.487 1.00 73.35 C ATOM 424 CD LYS A 28 -1.987 11.474 -4.948 1.00 5.43 C ATOM 425 CE LYS A 28 -2.363 12.936 -4.845 1.00 52.34 C ATOM 426 NZ LYS A 28 -1.241 13.772 -4.370 1.00 4.11 N ATOM 0 H LYS A 28 -4.957 8.608 -4.387 1.00 22.54 H new ATOM 0 HA LYS A 28 -4.057 8.657 -7.169 1.00 72.02 H new ATOM 0 HB2 LYS A 28 -2.556 8.848 -4.535 1.00 33.15 H new ATOM 0 HB3 LYS A 28 -1.862 9.079 -6.127 1.00 33.15 H new ATOM 0 HG2 LYS A 28 -3.395 11.018 -6.484 1.00 73.35 H new ATOM 0 HG3 LYS A 28 -4.011 10.805 -4.857 1.00 73.35 H new ATOM 0 HD2 LYS A 28 -1.701 11.098 -3.966 1.00 5.43 H new ATOM 0 HD3 LYS A 28 -1.119 11.362 -5.598 1.00 5.43 H new ATOM 0 HE2 LYS A 28 -2.692 13.294 -5.821 1.00 52.34 H new ATOM 0 HE3 LYS A 28 -3.207 13.045 -4.164 1.00 52.34 H new ATOM 0 HZ1 LYS A 28 -1.546 14.765 -4.316 1.00 4.11 H new ATOM 0 HZ2 LYS A 28 -0.943 13.449 -3.427 1.00 4.11 H new ATOM 0 HZ3 LYS A 28 -0.443 13.691 -5.032 1.00 4.11 H new ATOM 440 N ASP A 29 -2.522 6.557 -7.047 1.00 63.01 N ATOM 441 CA ASP A 29 -2.019 5.203 -7.147 1.00 21.23 C ATOM 442 C ASP A 29 -0.671 5.139 -6.484 1.00 13.55 C ATOM 443 O ASP A 29 0.306 5.761 -6.956 1.00 41.31 O ATOM 444 CB ASP A 29 -1.857 4.749 -8.604 1.00 11.10 C ATOM 445 CG ASP A 29 -3.084 4.943 -9.455 1.00 42.24 C ATOM 446 OD1 ASP A 29 -4.023 4.120 -9.397 1.00 23.31 O ATOM 447 OD2 ASP A 29 -3.115 5.932 -10.233 1.00 11.41 O ATOM 0 H ASP A 29 -2.120 7.208 -7.721 1.00 63.01 H new ATOM 0 HA ASP A 29 -2.741 4.545 -6.663 1.00 21.23 H new ATOM 0 HB2 ASP A 29 -1.028 5.297 -9.053 1.00 11.10 H new ATOM 0 HB3 ASP A 29 -1.585 3.694 -8.615 1.00 11.10 H new ATOM 452 N VAL A 30 -0.608 4.442 -5.407 1.00 61.43 N ATOM 453 CA VAL A 30 0.614 4.244 -4.682 1.00 14.25 C ATOM 454 C VAL A 30 0.924 2.756 -4.638 1.00 51.24 C ATOM 455 O VAL A 30 0.010 1.941 -4.483 1.00 1.00 O ATOM 456 CB VAL A 30 0.533 4.890 -3.251 1.00 72.04 C ATOM 457 CG1 VAL A 30 -0.706 4.488 -2.507 1.00 20.24 C ATOM 458 CG2 VAL A 30 1.717 4.527 -2.418 1.00 24.44 C ATOM 0 H VAL A 30 -1.416 3.980 -4.989 1.00 61.43 H new ATOM 0 HA VAL A 30 1.435 4.748 -5.191 1.00 14.25 H new ATOM 0 HB VAL A 30 0.511 5.967 -3.419 1.00 72.04 H new ATOM 0 HG11 VAL A 30 -0.711 4.962 -1.526 1.00 20.24 H new ATOM 0 HG12 VAL A 30 -1.586 4.804 -3.067 1.00 20.24 H new ATOM 0 HG13 VAL A 30 -0.723 3.405 -2.387 1.00 20.24 H new ATOM 0 HG21 VAL A 30 1.627 4.991 -1.436 1.00 24.44 H new ATOM 0 HG22 VAL A 30 1.764 3.444 -2.305 1.00 24.44 H new ATOM 0 HG23 VAL A 30 2.626 4.881 -2.904 1.00 24.44 H new ATOM 468 N PHE A 31 2.186 2.379 -4.822 1.00 62.33 N ATOM 469 CA PHE A 31 2.504 0.975 -4.840 1.00 3.14 C ATOM 470 C PHE A 31 2.845 0.496 -3.456 1.00 14.35 C ATOM 471 O PHE A 31 3.365 1.247 -2.641 1.00 3.21 O ATOM 472 CB PHE A 31 3.611 0.585 -5.874 1.00 55.30 C ATOM 473 CG PHE A 31 5.034 1.016 -5.584 1.00 0.23 C ATOM 474 CD1 PHE A 31 5.867 0.212 -4.810 1.00 55.33 C ATOM 475 CD2 PHE A 31 5.549 2.188 -6.105 1.00 2.15 C ATOM 476 CE1 PHE A 31 7.174 0.572 -4.566 1.00 62.24 C ATOM 477 CE2 PHE A 31 6.861 2.556 -5.856 1.00 51.51 C ATOM 478 CZ PHE A 31 7.670 1.747 -5.086 1.00 62.42 C ATOM 0 H PHE A 31 2.975 3.011 -4.956 1.00 62.33 H new ATOM 0 HA PHE A 31 1.605 0.462 -5.182 1.00 3.14 H new ATOM 0 HB2 PHE A 31 3.605 -0.500 -5.978 1.00 55.30 H new ATOM 0 HB3 PHE A 31 3.326 0.999 -6.841 1.00 55.30 H new ATOM 0 HD1 PHE A 31 5.482 -0.708 -4.395 1.00 55.33 H new ATOM 0 HD2 PHE A 31 4.922 2.824 -6.713 1.00 2.15 H new ATOM 0 HE1 PHE A 31 7.808 -0.066 -3.968 1.00 62.24 H new ATOM 0 HE2 PHE A 31 7.250 3.477 -6.265 1.00 51.51 H new ATOM 0 HZ PHE A 31 8.692 2.035 -4.891 1.00 62.42 H new ATOM 488 N VAL A 32 2.537 -0.720 -3.185 1.00 60.41 N ATOM 489 CA VAL A 32 2.813 -1.292 -1.911 1.00 22.14 C ATOM 490 C VAL A 32 3.851 -2.391 -2.074 1.00 74.43 C ATOM 491 O VAL A 32 3.871 -3.107 -3.086 1.00 1.11 O ATOM 492 CB VAL A 32 1.521 -1.830 -1.221 1.00 1.04 C ATOM 493 CG1 VAL A 32 0.863 -2.939 -2.027 1.00 62.51 C ATOM 494 CG2 VAL A 32 1.794 -2.279 0.212 1.00 74.22 C ATOM 0 H VAL A 32 2.083 -1.354 -3.843 1.00 60.41 H new ATOM 0 HA VAL A 32 3.209 -0.515 -1.257 1.00 22.14 H new ATOM 0 HB VAL A 32 0.817 -0.998 -1.180 1.00 1.04 H new ATOM 0 HG11 VAL A 32 -0.032 -3.283 -1.509 1.00 62.51 H new ATOM 0 HG12 VAL A 32 0.589 -2.560 -3.012 1.00 62.51 H new ATOM 0 HG13 VAL A 32 1.560 -3.770 -2.139 1.00 62.51 H new ATOM 0 HG21 VAL A 32 0.871 -2.647 0.660 1.00 74.22 H new ATOM 0 HG22 VAL A 32 2.538 -3.075 0.208 1.00 74.22 H new ATOM 0 HG23 VAL A 32 2.168 -1.436 0.793 1.00 74.22 H new ATOM 504 N HIS A 33 4.725 -2.493 -1.126 1.00 72.41 N ATOM 505 CA HIS A 33 5.747 -3.478 -1.143 1.00 54.32 C ATOM 506 C HIS A 33 5.750 -4.189 0.197 1.00 23.50 C ATOM 507 O HIS A 33 5.231 -3.659 1.181 1.00 22.52 O ATOM 508 CB HIS A 33 7.105 -2.813 -1.460 1.00 74.40 C ATOM 509 CG HIS A 33 8.237 -3.768 -1.531 1.00 21.42 C ATOM 510 ND1 HIS A 33 8.177 -4.924 -2.246 1.00 2.10 N ATOM 511 CD2 HIS A 33 9.427 -3.775 -0.918 1.00 34.14 C ATOM 512 CE1 HIS A 33 9.267 -5.599 -2.064 1.00 3.50 C ATOM 513 NE2 HIS A 33 10.048 -4.924 -1.269 1.00 54.43 N ATOM 0 H HIS A 33 4.746 -1.884 -0.308 1.00 72.41 H new ATOM 0 HA HIS A 33 5.565 -4.218 -1.922 1.00 54.32 H new ATOM 0 HB2 HIS A 33 7.027 -2.285 -2.410 1.00 74.40 H new ATOM 0 HB3 HIS A 33 7.320 -2.065 -0.696 1.00 74.40 H new ATOM 0 HD1 HIS A 33 7.395 -5.214 -2.834 1.00 2.10 H new ATOM 0 HD2 HIS A 33 9.818 -3.008 -0.266 1.00 34.14 H new ATOM 0 HE1 HIS A 33 9.491 -6.562 -2.499 1.00 3.50 H new ATOM 522 N LYS A 34 6.330 -5.375 0.245 1.00 73.02 N ATOM 523 CA LYS A 34 6.343 -6.167 1.460 1.00 14.03 C ATOM 524 C LYS A 34 7.168 -5.509 2.554 1.00 52.33 C ATOM 525 O LYS A 34 7.065 -5.868 3.691 1.00 54.54 O ATOM 526 CB LYS A 34 6.773 -7.610 1.187 1.00 63.52 C ATOM 527 CG LYS A 34 6.828 -8.494 2.423 1.00 11.22 C ATOM 528 CD LYS A 34 7.092 -9.905 2.046 1.00 32.21 C ATOM 529 CE LYS A 34 7.252 -10.811 3.254 1.00 72.52 C ATOM 530 NZ LYS A 34 8.394 -10.430 4.110 1.00 33.34 N ATOM 0 H LYS A 34 6.800 -5.812 -0.548 1.00 73.02 H new ATOM 0 HA LYS A 34 5.320 -6.212 1.832 1.00 14.03 H new ATOM 0 HB2 LYS A 34 6.082 -8.052 0.469 1.00 63.52 H new ATOM 0 HB3 LYS A 34 7.757 -7.600 0.718 1.00 63.52 H new ATOM 0 HG2 LYS A 34 7.609 -8.140 3.095 1.00 11.22 H new ATOM 0 HG3 LYS A 34 5.885 -8.428 2.966 1.00 11.22 H new ATOM 0 HD2 LYS A 34 6.273 -10.271 1.427 1.00 32.21 H new ATOM 0 HD3 LYS A 34 7.996 -9.952 1.439 1.00 32.21 H new ATOM 0 HE2 LYS A 34 6.337 -10.785 3.845 1.00 72.52 H new ATOM 0 HE3 LYS A 34 7.384 -11.839 2.916 1.00 72.52 H new ATOM 0 HZ1 LYS A 34 8.592 -11.196 4.785 1.00 33.34 H new ATOM 0 HZ2 LYS A 34 9.233 -10.266 3.517 1.00 33.34 H new ATOM 0 HZ3 LYS A 34 8.162 -9.560 4.631 1.00 33.34 H new ATOM 544 N SER A 35 7.971 -4.529 2.187 1.00 43.24 N ATOM 545 CA SER A 35 8.721 -3.723 3.159 1.00 44.03 C ATOM 546 C SER A 35 7.768 -3.137 4.224 1.00 34.33 C ATOM 547 O SER A 35 8.132 -3.011 5.389 1.00 60.14 O ATOM 548 CB SER A 35 9.493 -2.603 2.433 1.00 34.54 C ATOM 549 OG SER A 35 10.239 -1.784 3.326 1.00 61.43 O ATOM 0 H SER A 35 8.128 -4.262 1.215 1.00 43.24 H new ATOM 0 HA SER A 35 9.441 -4.363 3.668 1.00 44.03 H new ATOM 0 HB2 SER A 35 10.169 -3.048 1.703 1.00 34.54 H new ATOM 0 HB3 SER A 35 8.789 -1.982 1.879 1.00 34.54 H new ATOM 0 HG SER A 35 10.711 -1.091 2.818 1.00 61.43 H new ATOM 555 N ALA A 36 6.548 -2.823 3.823 1.00 2.32 N ATOM 556 CA ALA A 36 5.574 -2.316 4.752 1.00 63.14 C ATOM 557 C ALA A 36 5.043 -3.425 5.637 1.00 44.15 C ATOM 558 O ALA A 36 4.802 -3.222 6.829 1.00 43.14 O ATOM 559 CB ALA A 36 4.458 -1.671 4.032 1.00 53.34 C ATOM 0 H ALA A 36 6.217 -2.913 2.862 1.00 2.32 H new ATOM 0 HA ALA A 36 6.066 -1.574 5.381 1.00 63.14 H new ATOM 0 HB1 ALA A 36 3.731 -1.293 4.751 1.00 53.34 H new ATOM 0 HB2 ALA A 36 4.840 -0.844 3.434 1.00 53.34 H new ATOM 0 HB3 ALA A 36 3.978 -2.399 3.378 1.00 53.34 H new ATOM 565 N VAL A 37 4.864 -4.607 5.049 1.00 61.35 N ATOM 566 CA VAL A 37 4.429 -5.767 5.809 1.00 50.43 C ATOM 567 C VAL A 37 5.552 -6.166 6.750 1.00 64.20 C ATOM 568 O VAL A 37 5.329 -6.589 7.844 1.00 60.11 O ATOM 569 CB VAL A 37 4.072 -6.989 4.908 1.00 63.15 C ATOM 570 CG1 VAL A 37 3.652 -8.176 5.783 1.00 74.43 C ATOM 571 CG2 VAL A 37 2.947 -6.625 3.942 1.00 52.22 C ATOM 0 H VAL A 37 5.014 -4.781 4.055 1.00 61.35 H new ATOM 0 HA VAL A 37 3.523 -5.489 6.347 1.00 50.43 H new ATOM 0 HB VAL A 37 4.952 -7.268 4.328 1.00 63.15 H new ATOM 0 HG11 VAL A 37 3.404 -9.026 5.148 1.00 74.43 H new ATOM 0 HG12 VAL A 37 4.473 -8.447 6.447 1.00 74.43 H new ATOM 0 HG13 VAL A 37 2.780 -7.900 6.377 1.00 74.43 H new ATOM 0 HG21 VAL A 37 2.709 -7.487 3.320 1.00 52.22 H new ATOM 0 HG22 VAL A 37 2.063 -6.330 4.507 1.00 52.22 H new ATOM 0 HG23 VAL A 37 3.265 -5.797 3.308 1.00 52.22 H new ATOM 581 N ASP A 38 6.753 -5.994 6.290 1.00 64.04 N ATOM 582 CA ASP A 38 7.942 -6.282 7.058 1.00 5.53 C ATOM 583 C ASP A 38 8.046 -5.357 8.251 1.00 54.10 C ATOM 584 O ASP A 38 8.485 -5.769 9.329 1.00 74.10 O ATOM 585 CB ASP A 38 9.176 -6.162 6.170 1.00 2.42 C ATOM 586 CG ASP A 38 10.475 -6.418 6.898 1.00 14.25 C ATOM 587 OD1 ASP A 38 10.770 -7.587 7.205 1.00 54.15 O ATOM 588 OD2 ASP A 38 11.227 -5.454 7.148 1.00 65.43 O ATOM 0 H ASP A 38 6.946 -5.643 5.352 1.00 64.04 H new ATOM 0 HA ASP A 38 7.879 -7.304 7.432 1.00 5.53 H new ATOM 0 HB2 ASP A 38 9.088 -6.867 5.343 1.00 2.42 H new ATOM 0 HB3 ASP A 38 9.204 -5.163 5.735 1.00 2.42 H new ATOM 593 N ALA A 39 7.613 -4.118 8.070 1.00 21.44 N ATOM 594 CA ALA A 39 7.654 -3.150 9.148 1.00 64.42 C ATOM 595 C ALA A 39 6.487 -3.331 10.140 1.00 13.24 C ATOM 596 O ALA A 39 6.697 -3.386 11.360 1.00 31.11 O ATOM 597 CB ALA A 39 7.665 -1.740 8.590 1.00 13.41 C ATOM 0 H ALA A 39 7.232 -3.764 7.192 1.00 21.44 H new ATOM 0 HA ALA A 39 8.576 -3.321 9.703 1.00 64.42 H new ATOM 0 HB1 ALA A 39 7.696 -1.024 9.411 1.00 13.41 H new ATOM 0 HB2 ALA A 39 8.543 -1.606 7.958 1.00 13.41 H new ATOM 0 HB3 ALA A 39 6.764 -1.576 7.999 1.00 13.41 H new ATOM 603 N ALA A 40 5.273 -3.436 9.621 1.00 34.42 N ATOM 604 CA ALA A 40 4.077 -3.499 10.471 1.00 32.20 C ATOM 605 C ALA A 40 3.658 -4.930 10.832 1.00 14.20 C ATOM 606 O ALA A 40 2.989 -5.146 11.837 1.00 72.00 O ATOM 607 CB ALA A 40 2.923 -2.773 9.800 1.00 33.40 C ATOM 0 H ALA A 40 5.082 -3.480 8.620 1.00 34.42 H new ATOM 0 HA ALA A 40 4.337 -3.007 11.408 1.00 32.20 H new ATOM 0 HB1 ALA A 40 2.040 -2.825 10.438 1.00 33.40 H new ATOM 0 HB2 ALA A 40 3.194 -1.729 9.639 1.00 33.40 H new ATOM 0 HB3 ALA A 40 2.706 -3.243 8.841 1.00 33.40 H new ATOM 613 N GLY A 41 4.057 -5.882 10.025 1.00 41.24 N ATOM 614 CA GLY A 41 3.659 -7.277 10.216 1.00 11.31 C ATOM 615 C GLY A 41 2.205 -7.486 9.897 1.00 51.53 C ATOM 616 O GLY A 41 1.402 -7.867 10.758 1.00 53.21 O ATOM 0 H GLY A 41 4.663 -5.726 9.219 1.00 41.24 H new ATOM 0 HA2 GLY A 41 4.268 -7.920 9.580 1.00 11.31 H new ATOM 0 HA3 GLY A 41 3.852 -7.573 11.247 1.00 11.31 H new ATOM 620 N LEU A 42 1.876 -7.243 8.667 1.00 11.34 N ATOM 621 CA LEU A 42 0.534 -7.332 8.179 1.00 64.04 C ATOM 622 C LEU A 42 0.312 -8.798 7.738 1.00 65.10 C ATOM 623 O LEU A 42 1.262 -9.460 7.327 1.00 52.12 O ATOM 624 CB LEU A 42 0.449 -6.360 6.986 1.00 5.04 C ATOM 625 CG LEU A 42 -0.905 -5.752 6.620 1.00 4.01 C ATOM 626 CD1 LEU A 42 -1.916 -6.781 6.204 1.00 60.21 C ATOM 627 CD2 LEU A 42 -1.426 -4.906 7.760 1.00 4.43 C ATOM 0 H LEU A 42 2.552 -6.969 7.954 1.00 11.34 H new ATOM 0 HA LEU A 42 -0.225 -7.070 8.916 1.00 64.04 H new ATOM 0 HB2 LEU A 42 1.137 -5.537 7.182 1.00 5.04 H new ATOM 0 HB3 LEU A 42 0.822 -6.885 6.107 1.00 5.04 H new ATOM 0 HG LEU A 42 -0.744 -5.116 5.750 1.00 4.01 H new ATOM 0 HD11 LEU A 42 -2.856 -6.288 5.957 1.00 60.21 H new ATOM 0 HD12 LEU A 42 -1.548 -7.320 5.331 1.00 60.21 H new ATOM 0 HD13 LEU A 42 -2.079 -7.483 7.022 1.00 60.21 H new ATOM 0 HD21 LEU A 42 -2.391 -4.479 7.485 1.00 4.43 H new ATOM 0 HD22 LEU A 42 -1.543 -5.526 8.649 1.00 4.43 H new ATOM 0 HD23 LEU A 42 -0.720 -4.102 7.969 1.00 4.43 H new ATOM 639 N HIS A 43 -0.902 -9.311 7.860 1.00 61.24 N ATOM 640 CA HIS A 43 -1.170 -10.698 7.474 1.00 73.44 C ATOM 641 C HIS A 43 -1.065 -10.900 5.959 1.00 64.25 C ATOM 642 O HIS A 43 -0.244 -11.679 5.487 1.00 22.24 O ATOM 643 CB HIS A 43 -2.545 -11.175 7.979 1.00 71.32 C ATOM 644 CG HIS A 43 -2.866 -12.602 7.607 1.00 45.14 C ATOM 645 ND1 HIS A 43 -3.631 -12.949 6.512 1.00 73.22 N ATOM 646 CD2 HIS A 43 -2.512 -13.766 8.193 1.00 32.20 C ATOM 647 CE1 HIS A 43 -3.731 -14.252 6.441 1.00 23.15 C ATOM 648 NE2 HIS A 43 -3.062 -14.778 7.449 1.00 42.43 N ATOM 0 H HIS A 43 -1.710 -8.801 8.217 1.00 61.24 H new ATOM 0 HA HIS A 43 -0.401 -11.305 7.951 1.00 73.44 H new ATOM 0 HB2 HIS A 43 -2.578 -11.075 9.064 1.00 71.32 H new ATOM 0 HB3 HIS A 43 -3.318 -10.521 7.575 1.00 71.32 H new ATOM 0 HD2 HIS A 43 -1.909 -13.879 9.082 1.00 32.20 H new ATOM 0 HE1 HIS A 43 -4.270 -14.803 5.685 1.00 23.15 H new ATOM 0 HE2 HIS A 43 -2.969 -15.775 7.643 1.00 42.43 H new ATOM 657 N SER A 44 -1.885 -10.211 5.217 1.00 21.45 N ATOM 658 CA SER A 44 -1.922 -10.375 3.784 1.00 72.51 C ATOM 659 C SER A 44 -2.631 -9.202 3.147 1.00 74.25 C ATOM 660 O SER A 44 -3.295 -8.427 3.836 1.00 73.14 O ATOM 661 CB SER A 44 -2.648 -11.684 3.440 1.00 63.31 C ATOM 662 OG SER A 44 -3.965 -11.701 3.995 1.00 54.21 O ATOM 0 H SER A 44 -2.544 -9.523 5.581 1.00 21.45 H new ATOM 0 HA SER A 44 -0.904 -10.417 3.397 1.00 72.51 H new ATOM 0 HB2 SER A 44 -2.704 -11.799 2.358 1.00 63.31 H new ATOM 0 HB3 SER A 44 -2.078 -12.531 3.821 1.00 63.31 H new ATOM 0 HG SER A 44 -3.985 -12.298 4.772 1.00 54.21 H new ATOM 668 N LEU A 45 -2.483 -9.061 1.859 1.00 1.24 N ATOM 669 CA LEU A 45 -3.158 -8.020 1.142 1.00 73.43 C ATOM 670 C LEU A 45 -3.899 -8.624 -0.003 1.00 44.21 C ATOM 671 O LEU A 45 -3.387 -9.518 -0.697 1.00 40.15 O ATOM 672 CB LEU A 45 -2.187 -6.986 0.602 1.00 23.11 C ATOM 673 CG LEU A 45 -1.293 -6.266 1.618 1.00 71.42 C ATOM 674 CD1 LEU A 45 -0.328 -5.348 0.900 1.00 44.22 C ATOM 675 CD2 LEU A 45 -2.139 -5.468 2.604 1.00 64.32 C ATOM 0 H LEU A 45 -1.894 -9.661 1.281 1.00 1.24 H new ATOM 0 HA LEU A 45 -3.838 -7.521 1.832 1.00 73.43 H new ATOM 0 HB2 LEU A 45 -1.542 -7.477 -0.127 1.00 23.11 H new ATOM 0 HB3 LEU A 45 -2.761 -6.232 0.064 1.00 23.11 H new ATOM 0 HG LEU A 45 -0.727 -7.014 2.173 1.00 71.42 H new ATOM 0 HD11 LEU A 45 0.303 -4.841 1.630 1.00 44.22 H new ATOM 0 HD12 LEU A 45 0.296 -5.933 0.225 1.00 44.22 H new ATOM 0 HD13 LEU A 45 -0.887 -4.608 0.328 1.00 44.22 H new ATOM 0 HD21 LEU A 45 -1.487 -4.964 3.318 1.00 64.32 H new ATOM 0 HD22 LEU A 45 -2.727 -4.727 2.062 1.00 64.32 H new ATOM 0 HD23 LEU A 45 -2.809 -6.142 3.138 1.00 64.32 H new ATOM 687 N GLU A 46 -5.078 -8.166 -0.187 1.00 35.03 N ATOM 688 CA GLU A 46 -5.932 -8.596 -1.245 1.00 24.21 C ATOM 689 C GLU A 46 -6.933 -7.504 -1.583 1.00 21.43 C ATOM 690 O GLU A 46 -7.340 -6.729 -0.697 1.00 12.32 O ATOM 691 CB GLU A 46 -6.614 -9.975 -0.964 1.00 0.12 C ATOM 692 CG GLU A 46 -7.447 -10.120 0.333 1.00 1.11 C ATOM 693 CD GLU A 46 -6.643 -10.026 1.632 1.00 70.32 C ATOM 694 OE1 GLU A 46 -5.847 -10.960 1.940 1.00 3.44 O ATOM 695 OE2 GLU A 46 -6.811 -9.037 2.361 1.00 53.25 O ATOM 0 H GLU A 46 -5.498 -7.455 0.412 1.00 35.03 H new ATOM 0 HA GLU A 46 -5.309 -8.770 -2.123 1.00 24.21 H new ATOM 0 HB2 GLU A 46 -7.266 -10.204 -1.807 1.00 0.12 H new ATOM 0 HB3 GLU A 46 -5.834 -10.737 -0.948 1.00 0.12 H new ATOM 0 HG2 GLU A 46 -8.215 -9.347 0.342 1.00 1.11 H new ATOM 0 HG3 GLU A 46 -7.962 -11.080 0.311 1.00 1.11 H new ATOM 702 N GLU A 47 -7.272 -7.406 -2.867 1.00 5.12 N ATOM 703 CA GLU A 47 -8.161 -6.414 -3.391 1.00 22.13 C ATOM 704 C GLU A 47 -9.483 -6.456 -2.641 1.00 64.51 C ATOM 705 O GLU A 47 -10.064 -7.519 -2.443 1.00 60.04 O ATOM 706 CB GLU A 47 -8.332 -6.725 -4.866 1.00 70.54 C ATOM 707 CG GLU A 47 -8.911 -5.638 -5.737 1.00 34.31 C ATOM 708 CD GLU A 47 -10.386 -5.353 -5.551 1.00 73.02 C ATOM 709 OE1 GLU A 47 -11.215 -6.052 -6.182 1.00 41.24 O ATOM 710 OE2 GLU A 47 -10.739 -4.416 -4.811 1.00 32.35 O ATOM 0 H GLU A 47 -6.915 -8.042 -3.580 1.00 5.12 H new ATOM 0 HA GLU A 47 -7.767 -5.405 -3.268 1.00 22.13 H new ATOM 0 HB2 GLU A 47 -7.357 -6.997 -5.269 1.00 70.54 H new ATOM 0 HB3 GLU A 47 -8.970 -7.604 -4.954 1.00 70.54 H new ATOM 0 HG2 GLU A 47 -8.357 -4.718 -5.551 1.00 34.31 H new ATOM 0 HG3 GLU A 47 -8.742 -5.907 -6.780 1.00 34.31 H new ATOM 717 N GLY A 48 -9.927 -5.306 -2.224 1.00 24.44 N ATOM 718 CA GLY A 48 -11.138 -5.207 -1.456 1.00 63.30 C ATOM 719 C GLY A 48 -10.878 -4.659 -0.075 1.00 63.53 C ATOM 720 O GLY A 48 -11.752 -4.055 0.539 1.00 13.52 O ATOM 0 H GLY A 48 -9.465 -4.415 -2.404 1.00 24.44 H new ATOM 0 HA2 GLY A 48 -11.847 -4.563 -1.976 1.00 63.30 H new ATOM 0 HA3 GLY A 48 -11.600 -6.191 -1.376 1.00 63.30 H new ATOM 724 N GLN A 49 -9.675 -4.855 0.410 1.00 24.04 N ATOM 725 CA GLN A 49 -9.304 -4.379 1.722 1.00 13.34 C ATOM 726 C GLN A 49 -8.944 -2.924 1.755 1.00 20.13 C ATOM 727 O GLN A 49 -7.996 -2.498 1.102 1.00 42.45 O ATOM 728 CB GLN A 49 -8.170 -5.211 2.305 1.00 34.43 C ATOM 729 CG GLN A 49 -8.617 -6.483 2.989 1.00 70.24 C ATOM 730 CD GLN A 49 -9.162 -6.266 4.405 1.00 53.10 C ATOM 731 OE1 GLN A 49 -9.720 -5.107 4.682 1.00 55.44 O flip ATOM 732 NE2 GLN A 49 -9.054 -7.147 5.253 1.00 43.25 N flip ATOM 0 H GLN A 49 -8.931 -5.344 -0.088 1.00 24.04 H new ATOM 0 HA GLN A 49 -10.195 -4.495 2.339 1.00 13.34 H new ATOM 0 HB2 GLN A 49 -7.475 -5.468 1.505 1.00 34.43 H new ATOM 0 HB3 GLN A 49 -7.620 -4.601 3.022 1.00 34.43 H new ATOM 0 HG2 GLN A 49 -9.387 -6.959 2.382 1.00 70.24 H new ATOM 0 HG3 GLN A 49 -7.776 -7.174 3.036 1.00 70.24 H new ATOM 0 HE21 GLN A 49 -8.617 -8.037 5.012 1.00 43.25 H new ATOM 0 HE22 GLN A 49 -9.401 -6.990 6.199 1.00 43.25 H new ATOM 741 N ASP A 50 -9.715 -2.161 2.501 1.00 12.00 N ATOM 742 CA ASP A 50 -9.362 -0.786 2.778 1.00 24.21 C ATOM 743 C ASP A 50 -8.180 -0.829 3.701 1.00 52.05 C ATOM 744 O ASP A 50 -8.172 -1.587 4.681 1.00 63.52 O ATOM 745 CB ASP A 50 -10.515 0.014 3.426 1.00 73.20 C ATOM 746 CG ASP A 50 -11.729 0.179 2.533 1.00 54.35 C ATOM 747 OD1 ASP A 50 -12.588 -0.721 2.524 1.00 12.42 O ATOM 748 OD2 ASP A 50 -11.853 1.224 1.829 1.00 54.53 O ATOM 0 H ASP A 50 -10.589 -2.470 2.926 1.00 12.00 H new ATOM 0 HA ASP A 50 -9.138 -0.274 1.843 1.00 24.21 H new ATOM 0 HB2 ASP A 50 -10.819 -0.486 4.346 1.00 73.20 H new ATOM 0 HB3 ASP A 50 -10.146 1.001 3.706 1.00 73.20 H new ATOM 753 N VAL A 51 -7.195 -0.080 3.400 1.00 24.43 N ATOM 754 CA VAL A 51 -5.994 -0.136 4.123 1.00 3.10 C ATOM 755 C VAL A 51 -5.507 1.258 4.477 1.00 3.13 C ATOM 756 O VAL A 51 -5.723 2.231 3.747 1.00 24.13 O ATOM 757 CB VAL A 51 -4.925 -0.955 3.354 1.00 25.11 C ATOM 758 CG1 VAL A 51 -4.529 -0.307 2.033 1.00 74.14 C ATOM 759 CG2 VAL A 51 -3.726 -1.269 4.222 1.00 64.22 C ATOM 0 H VAL A 51 -7.201 0.596 2.636 1.00 24.43 H new ATOM 0 HA VAL A 51 -6.180 -0.655 5.063 1.00 3.10 H new ATOM 0 HB VAL A 51 -5.388 -1.907 3.095 1.00 25.11 H new ATOM 0 HG11 VAL A 51 -3.778 -0.922 1.537 1.00 74.14 H new ATOM 0 HG12 VAL A 51 -5.407 -0.219 1.393 1.00 74.14 H new ATOM 0 HG13 VAL A 51 -4.118 0.684 2.223 1.00 74.14 H new ATOM 0 HG21 VAL A 51 -3.001 -1.844 3.646 1.00 64.22 H new ATOM 0 HG22 VAL A 51 -3.267 -0.339 4.559 1.00 64.22 H new ATOM 0 HG23 VAL A 51 -4.045 -1.850 5.087 1.00 64.22 H new ATOM 769 N ILE A 52 -4.898 1.334 5.597 1.00 55.31 N ATOM 770 CA ILE A 52 -4.397 2.552 6.162 1.00 60.01 C ATOM 771 C ILE A 52 -2.893 2.465 6.135 1.00 43.33 C ATOM 772 O ILE A 52 -2.325 1.489 6.628 1.00 32.13 O ATOM 773 CB ILE A 52 -4.866 2.651 7.630 1.00 22.25 C ATOM 774 CG1 ILE A 52 -6.398 2.504 7.686 1.00 12.35 C ATOM 775 CG2 ILE A 52 -4.424 3.989 8.245 1.00 53.24 C ATOM 776 CD1 ILE A 52 -6.958 2.264 9.067 1.00 22.31 C ATOM 0 H ILE A 52 -4.720 0.518 6.182 1.00 55.31 H new ATOM 0 HA ILE A 52 -4.752 3.421 5.608 1.00 60.01 H new ATOM 0 HB ILE A 52 -4.410 1.849 8.210 1.00 22.25 H new ATOM 0 HG12 ILE A 52 -6.851 3.407 7.277 1.00 12.35 H new ATOM 0 HG13 ILE A 52 -6.694 1.678 7.040 1.00 12.35 H new ATOM 0 HG21 ILE A 52 -4.762 4.043 9.280 1.00 53.24 H new ATOM 0 HG22 ILE A 52 -3.337 4.062 8.214 1.00 53.24 H new ATOM 0 HG23 ILE A 52 -4.859 4.812 7.678 1.00 53.24 H new ATOM 0 HD11 ILE A 52 -8.043 2.173 9.009 1.00 22.31 H new ATOM 0 HD12 ILE A 52 -6.538 1.345 9.475 1.00 22.31 H new ATOM 0 HD13 ILE A 52 -6.698 3.101 9.716 1.00 22.31 H new ATOM 788 N PHE A 53 -2.248 3.440 5.571 1.00 2.00 N ATOM 789 CA PHE A 53 -0.807 3.403 5.450 1.00 12.54 C ATOM 790 C PHE A 53 -0.235 4.786 5.526 1.00 45.33 C ATOM 791 O PHE A 53 -0.978 5.766 5.641 1.00 44.12 O ATOM 792 CB PHE A 53 -0.402 2.758 4.104 1.00 24.53 C ATOM 793 CG PHE A 53 -1.014 3.417 2.891 1.00 42.41 C ATOM 794 CD1 PHE A 53 -2.259 3.032 2.439 1.00 61.13 C ATOM 795 CD2 PHE A 53 -0.337 4.413 2.203 1.00 10.15 C ATOM 796 CE1 PHE A 53 -2.816 3.618 1.333 1.00 25.41 C ATOM 797 CE2 PHE A 53 -0.888 4.997 1.093 1.00 21.13 C ATOM 798 CZ PHE A 53 -2.131 4.599 0.657 1.00 43.02 C ATOM 0 H PHE A 53 -2.689 4.275 5.185 1.00 2.00 H new ATOM 0 HA PHE A 53 -0.412 2.808 6.274 1.00 12.54 H new ATOM 0 HB2 PHE A 53 0.684 2.789 4.011 1.00 24.53 H new ATOM 0 HB3 PHE A 53 -0.691 1.707 4.117 1.00 24.53 H new ATOM 0 HD1 PHE A 53 -2.801 2.259 2.963 1.00 61.13 H new ATOM 0 HD2 PHE A 53 0.636 4.732 2.546 1.00 10.15 H new ATOM 0 HE1 PHE A 53 -3.793 3.309 0.992 1.00 25.41 H new ATOM 0 HE2 PHE A 53 -0.349 5.767 0.562 1.00 21.13 H new ATOM 0 HZ PHE A 53 -2.569 5.058 -0.217 1.00 43.02 H new ATOM 808 N ASP A 54 1.068 4.862 5.459 1.00 14.35 N ATOM 809 CA ASP A 54 1.765 6.105 5.361 1.00 1.24 C ATOM 810 C ASP A 54 2.428 6.082 4.022 1.00 44.41 C ATOM 811 O ASP A 54 2.573 5.005 3.417 1.00 41.53 O ATOM 812 CB ASP A 54 2.832 6.301 6.466 1.00 52.53 C ATOM 813 CG ASP A 54 2.290 6.318 7.886 1.00 4.22 C ATOM 814 OD1 ASP A 54 1.238 6.948 8.140 1.00 65.41 O ATOM 815 OD2 ASP A 54 2.950 5.737 8.787 1.00 52.20 O ATOM 0 H ASP A 54 1.679 4.046 5.472 1.00 14.35 H new ATOM 0 HA ASP A 54 1.064 6.930 5.485 1.00 1.24 H new ATOM 0 HB2 ASP A 54 3.569 5.502 6.384 1.00 52.53 H new ATOM 0 HB3 ASP A 54 3.356 7.239 6.282 1.00 52.53 H new ATOM 820 N LEU A 55 2.820 7.196 3.539 1.00 51.24 N ATOM 821 CA LEU A 55 3.397 7.259 2.240 1.00 51.33 C ATOM 822 C LEU A 55 4.691 8.022 2.213 1.00 4.01 C ATOM 823 O LEU A 55 4.796 9.161 2.710 1.00 50.12 O ATOM 824 CB LEU A 55 2.368 7.798 1.248 1.00 62.43 C ATOM 825 CG LEU A 55 2.796 8.111 -0.186 1.00 64.12 C ATOM 826 CD1 LEU A 55 3.555 6.968 -0.759 1.00 72.12 C ATOM 827 CD2 LEU A 55 1.553 8.364 -1.041 1.00 54.21 C ATOM 0 H LEU A 55 2.754 8.091 4.024 1.00 51.24 H new ATOM 0 HA LEU A 55 3.667 6.248 1.936 1.00 51.33 H new ATOM 0 HB2 LEU A 55 1.555 7.074 1.195 1.00 62.43 H new ATOM 0 HB3 LEU A 55 1.954 8.713 1.672 1.00 62.43 H new ATOM 0 HG LEU A 55 3.433 8.995 -0.179 1.00 64.12 H new ATOM 0 HD11 LEU A 55 3.853 7.205 -1.780 1.00 72.12 H new ATOM 0 HD12 LEU A 55 4.443 6.782 -0.155 1.00 72.12 H new ATOM 0 HD13 LEU A 55 2.925 6.078 -0.762 1.00 72.12 H new ATOM 0 HD21 LEU A 55 1.855 8.588 -2.064 1.00 54.21 H new ATOM 0 HD22 LEU A 55 0.920 7.476 -1.035 1.00 54.21 H new ATOM 0 HD23 LEU A 55 0.997 9.209 -0.634 1.00 54.21 H new ATOM 839 N GLU A 56 5.659 7.373 1.648 1.00 31.23 N ATOM 840 CA GLU A 56 6.967 7.909 1.434 1.00 21.43 C ATOM 841 C GLU A 56 7.224 7.976 -0.067 1.00 64.42 C ATOM 842 O GLU A 56 6.753 7.117 -0.831 1.00 72.31 O ATOM 843 CB GLU A 56 8.029 7.066 2.137 1.00 63.41 C ATOM 844 CG GLU A 56 7.908 7.058 3.654 1.00 21.53 C ATOM 845 CD GLU A 56 9.006 6.268 4.320 1.00 75.41 C ATOM 846 OE1 GLU A 56 10.135 6.790 4.436 1.00 41.32 O ATOM 847 OE2 GLU A 56 8.766 5.127 4.757 1.00 65.52 O ATOM 0 H GLU A 56 5.556 6.416 1.309 1.00 31.23 H new ATOM 0 HA GLU A 56 7.025 8.911 1.859 1.00 21.43 H new ATOM 0 HB2 GLU A 56 7.965 6.041 1.772 1.00 63.41 H new ATOM 0 HB3 GLU A 56 9.015 7.440 1.863 1.00 63.41 H new ATOM 0 HG2 GLU A 56 7.929 8.084 4.022 1.00 21.53 H new ATOM 0 HG3 GLU A 56 6.942 6.639 3.935 1.00 21.53 H new ATOM 854 N GLU A 57 7.953 8.960 -0.476 1.00 41.41 N ATOM 855 CA GLU A 57 8.157 9.242 -1.875 1.00 13.12 C ATOM 856 C GLU A 57 9.423 8.581 -2.409 1.00 63.13 C ATOM 857 O GLU A 57 10.474 8.586 -1.757 1.00 54.24 O ATOM 858 CB GLU A 57 8.241 10.751 -2.047 1.00 1.44 C ATOM 859 CG GLU A 57 8.419 11.242 -3.463 1.00 52.44 C ATOM 860 CD GLU A 57 8.536 12.733 -3.500 1.00 53.22 C ATOM 861 OE1 GLU A 57 7.500 13.417 -3.568 1.00 41.23 O ATOM 862 OE2 GLU A 57 9.671 13.254 -3.427 1.00 32.51 O ATOM 0 H GLU A 57 8.434 9.604 0.152 1.00 41.41 H new ATOM 0 HA GLU A 57 7.322 8.835 -2.444 1.00 13.12 H new ATOM 0 HB2 GLU A 57 7.333 11.195 -1.640 1.00 1.44 H new ATOM 0 HB3 GLU A 57 9.073 11.120 -1.447 1.00 1.44 H new ATOM 0 HG2 GLU A 57 9.311 10.792 -3.899 1.00 52.44 H new ATOM 0 HG3 GLU A 57 7.572 10.924 -4.072 1.00 52.44 H new ATOM 869 N LYS A 58 9.320 8.016 -3.584 1.00 45.22 N ATOM 870 CA LYS A 58 10.447 7.446 -4.246 1.00 62.54 C ATOM 871 C LYS A 58 10.689 8.212 -5.538 1.00 21.04 C ATOM 872 O LYS A 58 10.308 7.763 -6.623 1.00 43.10 O ATOM 873 CB LYS A 58 10.266 5.939 -4.498 1.00 72.51 C ATOM 874 CG LYS A 58 11.482 5.259 -5.086 1.00 11.51 C ATOM 875 CD LYS A 58 11.270 3.768 -5.250 1.00 14.22 C ATOM 876 CE LYS A 58 12.519 3.115 -5.813 1.00 50.14 C ATOM 877 NZ LYS A 58 12.366 1.651 -5.966 1.00 25.21 N ATOM 0 H LYS A 58 8.446 7.942 -4.104 1.00 45.22 H new ATOM 0 HA LYS A 58 11.323 7.535 -3.604 1.00 62.54 H new ATOM 0 HB2 LYS A 58 10.011 5.453 -3.556 1.00 72.51 H new ATOM 0 HB3 LYS A 58 9.421 5.793 -5.171 1.00 72.51 H new ATOM 0 HG2 LYS A 58 11.713 5.702 -6.055 1.00 11.51 H new ATOM 0 HG3 LYS A 58 12.344 5.435 -4.442 1.00 11.51 H new ATOM 0 HD2 LYS A 58 11.021 3.322 -4.287 1.00 14.22 H new ATOM 0 HD3 LYS A 58 10.425 3.585 -5.914 1.00 14.22 H new ATOM 0 HE2 LYS A 58 12.752 3.557 -6.782 1.00 50.14 H new ATOM 0 HE3 LYS A 58 13.363 3.323 -5.156 1.00 50.14 H new ATOM 0 HZ1 LYS A 58 13.243 1.249 -6.353 1.00 25.21 H new ATOM 0 HZ2 LYS A 58 12.169 1.224 -5.038 1.00 25.21 H new ATOM 0 HZ3 LYS A 58 11.578 1.450 -6.614 1.00 25.21 H new ATOM 891 N GLN A 59 11.228 9.426 -5.378 1.00 64.43 N ATOM 892 CA GLN A 59 11.530 10.368 -6.474 1.00 23.55 C ATOM 893 C GLN A 59 10.244 10.859 -7.182 1.00 12.41 C ATOM 894 O GLN A 59 9.831 12.019 -7.022 1.00 64.23 O ATOM 895 CB GLN A 59 12.544 9.772 -7.465 1.00 40.53 C ATOM 896 CG GLN A 59 12.994 10.721 -8.566 1.00 72.41 C ATOM 897 CD GLN A 59 13.636 11.991 -8.024 1.00 71.01 C ATOM 898 OE1 GLN A 59 14.235 11.998 -6.945 1.00 65.00 O ATOM 899 NE2 GLN A 59 13.518 13.059 -8.756 1.00 54.31 N ATOM 0 H GLN A 59 11.475 9.795 -4.460 1.00 64.43 H new ATOM 0 HA GLN A 59 11.996 11.247 -6.028 1.00 23.55 H new ATOM 0 HB2 GLN A 59 13.421 9.440 -6.910 1.00 40.53 H new ATOM 0 HB3 GLN A 59 12.104 8.887 -7.925 1.00 40.53 H new ATOM 0 HG2 GLN A 59 13.705 10.208 -9.214 1.00 72.41 H new ATOM 0 HG3 GLN A 59 12.136 10.988 -9.183 1.00 72.41 H new ATOM 0 HE21 GLN A 59 13.016 13.017 -9.643 1.00 54.31 H new ATOM 0 HE22 GLN A 59 13.928 13.939 -8.443 1.00 54.31 H new ATOM 908 N GLY A 60 9.632 9.992 -7.942 1.00 23.32 N ATOM 909 CA GLY A 60 8.397 10.315 -8.600 1.00 11.30 C ATOM 910 C GLY A 60 7.375 9.238 -8.387 1.00 70.14 C ATOM 911 O GLY A 60 6.245 9.329 -8.862 1.00 25.01 O ATOM 0 H GLY A 60 9.973 9.048 -8.121 1.00 23.32 H new ATOM 0 HA2 GLY A 60 8.016 11.263 -8.220 1.00 11.30 H new ATOM 0 HA3 GLY A 60 8.574 10.447 -9.667 1.00 11.30 H new ATOM 915 N LYS A 61 7.772 8.208 -7.688 1.00 14.02 N ATOM 916 CA LYS A 61 6.902 7.114 -7.376 1.00 50.11 C ATOM 917 C LYS A 61 6.474 7.221 -5.934 1.00 71.11 C ATOM 918 O LYS A 61 7.076 7.963 -5.149 1.00 53.23 O ATOM 919 CB LYS A 61 7.605 5.779 -7.629 1.00 60.43 C ATOM 920 CG LYS A 61 8.122 5.549 -9.064 1.00 65.40 C ATOM 921 CD LYS A 61 7.033 5.201 -10.109 1.00 30.20 C ATOM 922 CE LYS A 61 5.968 6.278 -10.307 1.00 31.25 C ATOM 923 NZ LYS A 61 5.035 5.936 -11.388 1.00 61.33 N ATOM 0 H LYS A 61 8.717 8.107 -7.318 1.00 14.02 H new ATOM 0 HA LYS A 61 6.023 7.156 -8.019 1.00 50.11 H new ATOM 0 HB2 LYS A 61 8.448 5.699 -6.943 1.00 60.43 H new ATOM 0 HB3 LYS A 61 6.914 4.974 -7.380 1.00 60.43 H new ATOM 0 HG2 LYS A 61 8.645 6.447 -9.393 1.00 65.40 H new ATOM 0 HG3 LYS A 61 8.855 4.742 -9.044 1.00 65.40 H new ATOM 0 HD2 LYS A 61 7.517 5.008 -11.067 1.00 30.20 H new ATOM 0 HD3 LYS A 61 6.542 4.276 -9.807 1.00 30.20 H new ATOM 0 HE2 LYS A 61 5.413 6.414 -9.379 1.00 31.25 H new ATOM 0 HE3 LYS A 61 6.451 7.229 -10.532 1.00 31.25 H new ATOM 0 HZ1 LYS A 61 4.329 6.693 -11.489 1.00 61.33 H new ATOM 0 HZ2 LYS A 61 5.560 5.831 -12.280 1.00 61.33 H new ATOM 0 HZ3 LYS A 61 4.554 5.042 -11.162 1.00 61.33 H new ATOM 937 N ALA A 62 5.466 6.494 -5.586 1.00 75.00 N ATOM 938 CA ALA A 62 4.916 6.544 -4.269 1.00 43.03 C ATOM 939 C ALA A 62 4.797 5.138 -3.718 1.00 35.44 C ATOM 940 O ALA A 62 4.216 4.276 -4.371 1.00 44.34 O ATOM 941 CB ALA A 62 3.543 7.201 -4.354 1.00 71.14 C ATOM 0 H ALA A 62 4.995 5.841 -6.212 1.00 75.00 H new ATOM 0 HA ALA A 62 5.559 7.120 -3.604 1.00 43.03 H new ATOM 0 HB1 ALA A 62 3.101 7.251 -3.359 1.00 71.14 H new ATOM 0 HB2 ALA A 62 3.646 8.209 -4.756 1.00 71.14 H new ATOM 0 HB3 ALA A 62 2.898 6.614 -5.008 1.00 71.14 H new ATOM 947 N TYR A 63 5.344 4.896 -2.527 1.00 62.11 N ATOM 948 CA TYR A 63 5.245 3.578 -1.914 1.00 52.44 C ATOM 949 C TYR A 63 4.589 3.613 -0.541 1.00 20.34 C ATOM 950 O TYR A 63 4.963 4.400 0.339 1.00 13.32 O ATOM 951 CB TYR A 63 6.582 2.826 -1.885 1.00 63.03 C ATOM 952 CG TYR A 63 7.722 3.514 -1.154 1.00 42.12 C ATOM 953 CD1 TYR A 63 8.495 4.483 -1.772 1.00 22.24 C ATOM 954 CD2 TYR A 63 8.032 3.174 0.149 1.00 73.42 C ATOM 955 CE1 TYR A 63 9.542 5.094 -1.104 1.00 72.34 C ATOM 956 CE2 TYR A 63 9.071 3.780 0.823 1.00 10.11 C ATOM 957 CZ TYR A 63 9.823 4.739 0.191 1.00 45.45 C ATOM 958 OH TYR A 63 10.871 5.346 0.861 1.00 40.15 O ATOM 0 H TYR A 63 5.853 5.587 -1.976 1.00 62.11 H new ATOM 0 HA TYR A 63 4.583 3.008 -2.566 1.00 52.44 H new ATOM 0 HB2 TYR A 63 6.417 1.852 -1.424 1.00 63.03 H new ATOM 0 HB3 TYR A 63 6.895 2.643 -2.913 1.00 63.03 H new ATOM 0 HD1 TYR A 63 8.277 4.766 -2.791 1.00 22.24 H new ATOM 0 HD2 TYR A 63 7.448 2.417 0.651 1.00 73.42 H new ATOM 0 HE1 TYR A 63 10.136 5.847 -1.600 1.00 72.34 H new ATOM 0 HE2 TYR A 63 9.292 3.502 1.843 1.00 10.11 H new ATOM 0 HH TYR A 63 10.934 4.981 1.768 1.00 40.15 H new ATOM 968 N ALA A 64 3.606 2.768 -0.392 1.00 62.03 N ATOM 969 CA ALA A 64 2.830 2.641 0.825 1.00 4.12 C ATOM 970 C ALA A 64 3.601 1.861 1.854 1.00 74.51 C ATOM 971 O ALA A 64 4.142 0.776 1.569 1.00 53.03 O ATOM 972 CB ALA A 64 1.497 1.964 0.524 1.00 52.34 C ATOM 0 H ALA A 64 3.310 2.129 -1.130 1.00 62.03 H new ATOM 0 HA ALA A 64 2.632 3.635 1.226 1.00 4.12 H new ATOM 0 HB1 ALA A 64 0.920 1.872 1.444 1.00 52.34 H new ATOM 0 HB2 ALA A 64 0.939 2.563 -0.196 1.00 52.34 H new ATOM 0 HB3 ALA A 64 1.678 0.973 0.109 1.00 52.34 H new ATOM 978 N VAL A 65 3.651 2.407 3.030 1.00 42.23 N ATOM 979 CA VAL A 65 4.370 1.842 4.143 1.00 43.32 C ATOM 980 C VAL A 65 3.505 1.920 5.371 1.00 30.33 C ATOM 981 O VAL A 65 2.487 2.587 5.337 1.00 61.00 O ATOM 982 CB VAL A 65 5.722 2.575 4.398 1.00 51.41 C ATOM 983 CG1 VAL A 65 6.664 2.385 3.231 1.00 45.50 C ATOM 984 CG2 VAL A 65 5.503 4.059 4.658 1.00 1.22 C ATOM 0 H VAL A 65 3.181 3.284 3.254 1.00 42.23 H new ATOM 0 HA VAL A 65 4.605 0.804 3.908 1.00 43.32 H new ATOM 0 HB VAL A 65 6.173 2.135 5.287 1.00 51.41 H new ATOM 0 HG11 VAL A 65 7.601 2.905 3.431 1.00 45.50 H new ATOM 0 HG12 VAL A 65 6.862 1.322 3.092 1.00 45.50 H new ATOM 0 HG13 VAL A 65 6.210 2.791 2.327 1.00 45.50 H new ATOM 0 HG21 VAL A 65 6.464 4.543 4.832 1.00 1.22 H new ATOM 0 HG22 VAL A 65 5.020 4.513 3.793 1.00 1.22 H new ATOM 0 HG23 VAL A 65 4.869 4.185 5.535 1.00 1.22 H new ATOM 994 N ASN A 66 3.908 1.243 6.441 1.00 2.14 N ATOM 995 CA ASN A 66 3.148 1.228 7.707 1.00 44.52 C ATOM 996 C ASN A 66 1.699 0.821 7.473 1.00 4.14 C ATOM 997 O ASN A 66 0.778 1.625 7.626 1.00 52.53 O ATOM 998 CB ASN A 66 3.215 2.579 8.427 1.00 61.12 C ATOM 999 CG ASN A 66 2.555 2.550 9.802 1.00 5.40 C ATOM 1000 OD1 ASN A 66 2.496 1.512 10.462 1.00 1.04 O ATOM 1001 ND2 ASN A 66 2.076 3.679 10.246 1.00 13.23 N ATOM 0 H ASN A 66 4.764 0.689 6.466 1.00 2.14 H new ATOM 0 HA ASN A 66 3.616 0.484 8.352 1.00 44.52 H new ATOM 0 HB2 ASN A 66 4.258 2.876 8.536 1.00 61.12 H new ATOM 0 HB3 ASN A 66 2.730 3.337 7.812 1.00 61.12 H new ATOM 0 HD21 ASN A 66 1.636 3.720 11.165 1.00 13.23 H new ATOM 0 HD22 ASN A 66 2.141 4.521 9.674 1.00 13.23 H new ATOM 1008 N LEU A 67 1.504 -0.386 7.026 1.00 55.23 N ATOM 1009 CA LEU A 67 0.179 -0.821 6.677 1.00 61.10 C ATOM 1010 C LEU A 67 -0.614 -1.280 7.877 1.00 73.31 C ATOM 1011 O LEU A 67 -0.074 -1.837 8.829 1.00 5.31 O ATOM 1012 CB LEU A 67 0.203 -1.952 5.668 1.00 15.13 C ATOM 1013 CG LEU A 67 0.912 -1.722 4.344 1.00 4.15 C ATOM 1014 CD1 LEU A 67 0.652 -2.873 3.472 1.00 63.44 C ATOM 1015 CD2 LEU A 67 0.465 -0.452 3.672 1.00 73.22 C ATOM 0 H LEU A 67 2.237 -1.083 6.895 1.00 55.23 H new ATOM 0 HA LEU A 67 -0.304 0.054 6.242 1.00 61.10 H new ATOM 0 HB2 LEU A 67 0.665 -2.815 6.147 1.00 15.13 H new ATOM 0 HB3 LEU A 67 -0.830 -2.224 5.449 1.00 15.13 H new ATOM 0 HG LEU A 67 1.980 -1.618 4.536 1.00 4.15 H new ATOM 0 HD11 LEU A 67 1.154 -2.726 2.516 1.00 63.44 H new ATOM 0 HD12 LEU A 67 1.030 -3.780 3.944 1.00 63.44 H new ATOM 0 HD13 LEU A 67 -0.421 -2.970 3.308 1.00 63.44 H new ATOM 0 HD21 LEU A 67 1.000 -0.331 2.730 1.00 73.22 H new ATOM 0 HD22 LEU A 67 -0.606 -0.501 3.478 1.00 73.22 H new ATOM 0 HD23 LEU A 67 0.678 0.397 4.321 1.00 73.22 H new ATOM 1027 N ARG A 68 -1.886 -1.041 7.805 1.00 10.41 N ATOM 1028 CA ARG A 68 -2.843 -1.495 8.769 1.00 11.34 C ATOM 1029 C ARG A 68 -4.116 -1.711 7.985 1.00 75.31 C ATOM 1030 O ARG A 68 -4.514 -0.830 7.229 1.00 21.24 O ATOM 1031 CB ARG A 68 -3.084 -0.406 9.826 1.00 0.23 C ATOM 1032 CG ARG A 68 -3.927 -0.838 10.998 1.00 5.22 C ATOM 1033 CD ARG A 68 -3.159 -1.827 11.846 1.00 31.31 C ATOM 1034 NE ARG A 68 -1.923 -1.233 12.387 1.00 45.33 N ATOM 1035 CZ ARG A 68 -0.887 -1.928 12.900 1.00 12.55 C ATOM 1036 NH1 ARG A 68 -0.935 -3.258 12.967 1.00 14.04 N ATOM 1037 NH2 ARG A 68 0.187 -1.285 13.343 1.00 64.11 N ATOM 0 H ARG A 68 -2.304 -0.504 7.045 1.00 10.41 H new ATOM 0 HA ARG A 68 -2.505 -2.395 9.283 1.00 11.34 H new ATOM 0 HB2 ARG A 68 -2.119 -0.061 10.198 1.00 0.23 H new ATOM 0 HB3 ARG A 68 -3.564 0.447 9.346 1.00 0.23 H new ATOM 0 HG2 ARG A 68 -4.205 0.029 11.597 1.00 5.22 H new ATOM 0 HG3 ARG A 68 -4.853 -1.291 10.644 1.00 5.22 H new ATOM 0 HD2 ARG A 68 -3.789 -2.169 12.667 1.00 31.31 H new ATOM 0 HD3 ARG A 68 -2.911 -2.704 11.248 1.00 31.31 H new ATOM 0 HE ARG A 68 -1.845 -0.216 12.372 1.00 45.33 H new ATOM 0 HH11 ARG A 68 -1.758 -3.756 12.629 1.00 14.04 H new ATOM 0 HH12 ARG A 68 -0.148 -3.778 13.356 1.00 14.04 H new ATOM 0 HH21 ARG A 68 0.228 -0.267 13.295 1.00 64.11 H new ATOM 0 HH22 ARG A 68 0.971 -1.809 13.731 1.00 64.11 H new ATOM 1051 N ILE A 69 -4.753 -2.832 8.130 1.00 54.42 N ATOM 1052 CA ILE A 69 -5.940 -3.073 7.346 1.00 72.34 C ATOM 1053 C ILE A 69 -7.207 -2.798 8.108 1.00 2.35 C ATOM 1054 O ILE A 69 -7.242 -2.881 9.338 1.00 74.14 O ATOM 1055 CB ILE A 69 -5.971 -4.480 6.621 1.00 34.44 C ATOM 1056 CG1 ILE A 69 -5.758 -5.693 7.567 1.00 43.51 C ATOM 1057 CG2 ILE A 69 -4.982 -4.524 5.476 1.00 74.30 C ATOM 1058 CD1 ILE A 69 -6.887 -5.975 8.534 1.00 63.24 C ATOM 0 H ILE A 69 -4.485 -3.583 8.766 1.00 54.42 H new ATOM 0 HA ILE A 69 -5.886 -2.340 6.541 1.00 72.34 H new ATOM 0 HB ILE A 69 -6.985 -4.578 6.232 1.00 34.44 H new ATOM 0 HG12 ILE A 69 -5.595 -6.582 6.957 1.00 43.51 H new ATOM 0 HG13 ILE A 69 -4.846 -5.528 8.140 1.00 43.51 H new ATOM 0 HG21 ILE A 69 -5.024 -5.502 4.996 1.00 74.30 H new ATOM 0 HG22 ILE A 69 -5.233 -3.752 4.749 1.00 74.30 H new ATOM 0 HG23 ILE A 69 -3.976 -4.351 5.857 1.00 74.30 H new ATOM 0 HD11 ILE A 69 -6.634 -6.841 9.146 1.00 63.24 H new ATOM 0 HD12 ILE A 69 -7.040 -5.109 9.177 1.00 63.24 H new ATOM 0 HD13 ILE A 69 -7.801 -6.179 7.977 1.00 63.24 H new ATOM 1070 N LYS A 70 -8.208 -2.379 7.391 1.00 21.20 N ATOM 1071 CA LYS A 70 -9.527 -2.221 7.931 1.00 13.20 C ATOM 1072 C LYS A 70 -10.179 -3.601 8.124 1.00 63.31 C ATOM 1073 O LYS A 70 -10.612 -4.217 7.124 1.00 39.54 O ATOM 1074 CB LYS A 70 -10.393 -1.346 7.022 1.00 73.11 C ATOM 1075 CG LYS A 70 -11.783 -1.137 7.555 1.00 54.23 C ATOM 1076 CD LYS A 70 -12.630 -0.302 6.621 1.00 53.44 C ATOM 1077 CE LYS A 70 -14.028 -0.147 7.175 1.00 21.31 C ATOM 1078 NZ LYS A 70 -14.898 0.651 6.288 1.00 11.03 N ATOM 1079 OXT LYS A 70 -10.283 -4.059 9.271 1.00 39.54 O ATOM 0 H LYS A 70 -8.131 -2.135 6.404 1.00 21.20 H new ATOM 0 HA LYS A 70 -9.447 -1.723 8.897 1.00 13.20 H new ATOM 0 HB2 LYS A 70 -9.910 -0.377 6.893 1.00 73.11 H new ATOM 0 HB3 LYS A 70 -10.454 -1.806 6.036 1.00 73.11 H new ATOM 0 HG2 LYS A 70 -12.261 -2.104 7.710 1.00 54.23 H new ATOM 0 HG3 LYS A 70 -11.728 -0.649 8.528 1.00 54.23 H new ATOM 0 HD2 LYS A 70 -12.175 0.679 6.486 1.00 53.44 H new ATOM 0 HD3 LYS A 70 -12.671 -0.772 5.639 1.00 53.44 H new ATOM 0 HE2 LYS A 70 -14.469 -1.133 7.322 1.00 21.31 H new ATOM 0 HE3 LYS A 70 -13.977 0.329 8.154 1.00 21.31 H new ATOM 0 HZ1 LYS A 70 -15.845 0.730 6.710 1.00 11.03 H new ATOM 0 HZ2 LYS A 70 -14.493 1.601 6.167 1.00 11.03 H new ATOM 0 HZ3 LYS A 70 -14.969 0.185 5.361 1.00 11.03 H new