USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 824 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 56 THR OG1 : rot 130:sc= -0.367 USER MOD Set 1.2: A 59 GLN : amide:sc= -2.51 X(o=-2.9,f=-2.8) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.168) USER MOD Single : A 16 CYS SG : rot -96:sc= 0.391 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 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 29 LYS NZ :NH3+ 142:sc= -0.0947 (180deg=-0.565) USER MOD Single : A 34 ASN : amide:sc= -0.056 K(o=-0.056,f=-1.4!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.844 K(o=-0.84,f=-2.1!) USER MOD Single : A 45 SER OG : rot 77:sc= 1.22 USER MOD Single : A 46 THR OG1 : rot 30:sc= 1.24 USER MOD Single : A 65 CYS SG : rot 180:sc= -0.0139 USER MOD Single : A 68 GLN : amide:sc= -0.447 K(o=-0.45,f=-1.4) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.227 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 169:sc= -0.351 (180deg=-0.658) USER MOD Single : A 86 THR OG1 : rot 74:sc= -0.0633 USER MOD Single : A 88 LYS NZ :NH3+ -143:sc= -0.864 (180deg=-3.79!) USER MOD Single : A 97 ASN : amide:sc= -0.389 K(o=-0.39,f=-1.8) USER MOD Single : A 98 MET CE :methyl 169:sc= 0 (180deg=-0.106) USER MOD Single : A 99 THR OG1 : rot 62:sc= 0.685 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.195 USER MOD Single : A 108 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 109 MET CE :methyl -139:sc= -1.75 (180deg=-2.61) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.0671 K(o=-0.067,f=-2.5!) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 6 2.589 3.495 -9.802 1.00 0.20 N ATOM 47 CA GLY A 6 1.988 2.789 -10.918 1.00 70.15 C ATOM 48 C GLY A 6 1.137 3.695 -11.787 1.00 41.23 C ATOM 49 O GLY A 6 1.369 4.903 -11.850 1.00 2.22 O ATOM 0 HA2 GLY A 6 2.774 2.341 -11.526 1.00 70.15 H new ATOM 0 HA3 GLY A 6 1.374 1.972 -10.539 1.00 70.15 H new ATOM 53 N ARG A 7 0.151 3.111 -12.460 1.00 60.30 N ATOM 54 CA ARG A 7 -0.734 3.874 -13.332 1.00 34.43 C ATOM 55 C ARG A 7 -1.559 4.875 -12.528 1.00 25.54 C ATOM 56 O ARG A 7 -1.672 6.043 -12.901 1.00 14.25 O ATOM 57 CB ARG A 7 -1.662 2.932 -14.100 1.00 35.43 C ATOM 58 CG ARG A 7 -1.050 2.379 -15.377 1.00 45.15 C ATOM 59 CD ARG A 7 -1.011 3.429 -16.477 1.00 54.13 C ATOM 60 NE ARG A 7 -0.963 2.827 -17.806 1.00 32.24 N ATOM 61 CZ ARG A 7 -2.023 2.309 -18.418 1.00 40.33 C ATOM 62 NH1 ARG A 7 -3.207 2.320 -17.821 1.00 32.52 N ATOM 63 NH2 ARG A 7 -1.899 1.779 -19.628 1.00 10.52 N ATOM 0 H ARG A 7 -0.055 2.113 -12.418 1.00 60.30 H new ATOM 0 HA ARG A 7 -0.118 4.425 -14.042 1.00 34.43 H new ATOM 0 HB2 ARG A 7 -1.940 2.101 -13.451 1.00 35.43 H new ATOM 0 HB3 ARG A 7 -2.581 3.464 -14.348 1.00 35.43 H new ATOM 0 HG2 ARG A 7 -0.039 2.026 -15.174 1.00 45.15 H new ATOM 0 HG3 ARG A 7 -1.627 1.518 -15.715 1.00 45.15 H new ATOM 0 HD2 ARG A 7 -1.891 4.068 -16.400 1.00 54.13 H new ATOM 0 HD3 ARG A 7 -0.140 4.069 -16.337 1.00 54.13 H new ATOM 0 HE ARG A 7 -0.066 2.803 -18.292 1.00 32.24 H new ATOM 0 HH11 ARG A 7 -3.305 2.726 -16.891 1.00 32.52 H new ATOM 0 HH12 ARG A 7 -4.019 1.922 -18.292 1.00 32.52 H new ATOM 0 HH21 ARG A 7 -0.989 1.769 -20.090 1.00 10.52 H new ATOM 0 HH22 ARG A 7 -2.713 1.382 -20.097 1.00 10.52 H new ATOM 77 N ASP A 8 -2.132 4.408 -11.424 1.00 75.53 N ATOM 78 CA ASP A 8 -2.948 5.262 -10.567 1.00 64.25 C ATOM 79 C ASP A 8 -2.139 6.455 -10.064 1.00 54.24 C ATOM 80 O ASP A 8 -2.668 7.558 -9.920 1.00 31.10 O ATOM 81 CB ASP A 8 -3.490 4.463 -9.382 1.00 14.25 C ATOM 82 CG ASP A 8 -5.004 4.396 -9.375 1.00 15.33 C ATOM 83 OD1 ASP A 8 -5.551 3.276 -9.461 1.00 4.24 O ATOM 84 OD2 ASP A 8 -5.645 5.464 -9.281 1.00 20.41 O ATOM 0 H ASP A 8 -2.047 3.444 -11.101 1.00 75.53 H new ATOM 0 HA ASP A 8 -3.785 5.634 -11.157 1.00 64.25 H new ATOM 0 HB2 ASP A 8 -3.084 3.452 -9.413 1.00 14.25 H new ATOM 0 HB3 ASP A 8 -3.145 4.917 -8.453 1.00 14.25 H new ATOM 89 N TRP A 9 -0.859 6.226 -9.798 1.00 40.03 N ATOM 90 CA TRP A 9 0.021 7.281 -9.309 1.00 71.24 C ATOM 91 C TRP A 9 0.246 8.342 -10.381 1.00 35.33 C ATOM 92 O TRP A 9 -0.068 9.517 -10.184 1.00 4.22 O ATOM 93 CB TRP A 9 1.362 6.693 -8.868 1.00 12.51 C ATOM 94 CG TRP A 9 2.105 7.567 -7.903 1.00 42.11 C ATOM 95 CD1 TRP A 9 3.395 7.999 -8.016 1.00 52.03 C ATOM 96 CD2 TRP A 9 1.603 8.112 -6.678 1.00 14.03 C ATOM 97 NE1 TRP A 9 3.726 8.781 -6.935 1.00 53.34 N ATOM 98 CE2 TRP A 9 2.643 8.867 -6.101 1.00 0.40 C ATOM 99 CE3 TRP A 9 0.375 8.039 -6.014 1.00 4.12 C ATOM 100 CZ2 TRP A 9 2.490 9.540 -4.891 1.00 23.14 C ATOM 101 CZ3 TRP A 9 0.226 8.707 -4.815 1.00 50.43 C ATOM 102 CH2 TRP A 9 1.278 9.451 -4.263 1.00 21.14 C ATOM 0 H TRP A 9 -0.407 5.319 -9.913 1.00 40.03 H new ATOM 0 HA TRP A 9 -0.460 7.752 -8.452 1.00 71.24 H new ATOM 0 HB2 TRP A 9 1.190 5.720 -8.408 1.00 12.51 H new ATOM 0 HB3 TRP A 9 1.984 6.524 -9.747 1.00 12.51 H new ATOM 0 HD1 TRP A 9 4.058 7.761 -8.835 1.00 52.03 H new ATOM 0 HE1 TRP A 9 4.631 9.225 -6.779 1.00 53.34 H new ATOM 0 HE3 TRP A 9 -0.443 7.470 -6.432 1.00 4.12 H new ATOM 0 HZ2 TRP A 9 3.300 10.112 -4.464 1.00 23.14 H new ATOM 0 HZ3 TRP A 9 -0.718 8.655 -4.293 1.00 50.43 H new ATOM 0 HH2 TRP A 9 1.129 9.964 -3.324 1.00 21.14 H new ATOM 113 N LYS A 10 0.791 7.922 -11.518 1.00 5.13 N ATOM 114 CA LYS A 10 1.057 8.836 -12.623 1.00 11.34 C ATOM 115 C LYS A 10 -0.226 9.520 -13.084 1.00 21.24 C ATOM 116 O LYS A 10 -0.216 10.695 -13.451 1.00 43.52 O ATOM 117 CB LYS A 10 1.694 8.081 -13.792 1.00 72.44 C ATOM 118 CG LYS A 10 3.036 8.648 -14.222 1.00 33.22 C ATOM 119 CD LYS A 10 4.191 7.860 -13.626 1.00 71.34 C ATOM 120 CE LYS A 10 4.836 8.607 -12.469 1.00 51.51 C ATOM 121 NZ LYS A 10 6.200 8.092 -12.167 1.00 61.21 N ATOM 0 H LYS A 10 1.057 6.954 -11.698 1.00 5.13 H new ATOM 0 HA LYS A 10 1.749 9.601 -12.272 1.00 11.34 H new ATOM 0 HB2 LYS A 10 1.824 7.036 -13.511 1.00 72.44 H new ATOM 0 HB3 LYS A 10 1.011 8.101 -14.642 1.00 72.44 H new ATOM 0 HG2 LYS A 10 3.107 8.633 -15.310 1.00 33.22 H new ATOM 0 HG3 LYS A 10 3.108 9.691 -13.912 1.00 33.22 H new ATOM 0 HD2 LYS A 10 3.832 6.891 -13.280 1.00 71.34 H new ATOM 0 HD3 LYS A 10 4.937 7.666 -14.397 1.00 71.34 H new ATOM 0 HE2 LYS A 10 4.894 9.669 -12.709 1.00 51.51 H new ATOM 0 HE3 LYS A 10 4.209 8.515 -11.582 1.00 51.51 H new ATOM 0 HZ1 LYS A 10 6.605 8.627 -11.373 1.00 61.21 H new ATOM 0 HZ2 LYS A 10 6.143 7.085 -11.913 1.00 61.21 H new ATOM 0 HZ3 LYS A 10 6.806 8.203 -13.005 1.00 61.21 H new ATOM 135 N MET A 11 -1.328 8.778 -13.062 1.00 34.11 N ATOM 136 CA MET A 11 -2.619 9.315 -13.475 1.00 54.13 C ATOM 137 C MET A 11 -3.101 10.383 -12.498 1.00 34.44 C ATOM 138 O MET A 11 -3.770 11.339 -12.890 1.00 31.22 O ATOM 139 CB MET A 11 -3.654 8.193 -13.574 1.00 52.33 C ATOM 140 CG MET A 11 -3.611 7.441 -14.894 1.00 4.54 C ATOM 141 SD MET A 11 -4.938 7.926 -16.014 1.00 33.32 S ATOM 142 CE MET A 11 -3.998 8.462 -17.441 1.00 61.44 C ATOM 0 H MET A 11 -1.353 7.803 -12.763 1.00 34.11 H new ATOM 0 HA MET A 11 -2.497 9.774 -14.456 1.00 54.13 H new ATOM 0 HB2 MET A 11 -3.493 7.488 -12.758 1.00 52.33 H new ATOM 0 HB3 MET A 11 -4.650 8.615 -13.438 1.00 52.33 H new ATOM 0 HG2 MET A 11 -2.650 7.618 -15.377 1.00 4.54 H new ATOM 0 HG3 MET A 11 -3.678 6.370 -14.700 1.00 4.54 H new ATOM 0 HE1 MET A 11 -4.681 8.793 -18.223 1.00 61.44 H new ATOM 0 HE2 MET A 11 -3.344 9.287 -17.157 1.00 61.44 H new ATOM 0 HE3 MET A 11 -3.396 7.633 -17.812 1.00 61.44 H new ATOM 152 N ALA A 12 -2.757 10.214 -11.227 1.00 50.42 N ATOM 153 CA ALA A 12 -3.154 11.165 -10.194 1.00 25.34 C ATOM 154 C ALA A 12 -2.445 12.503 -10.380 1.00 1.43 C ATOM 155 O ALA A 12 -3.071 13.561 -10.312 1.00 43.32 O ATOM 156 CB ALA A 12 -2.862 10.597 -8.814 1.00 11.32 C ATOM 0 H ALA A 12 -2.204 9.428 -10.886 1.00 50.42 H new ATOM 0 HA ALA A 12 -4.227 11.336 -10.284 1.00 25.34 H new ATOM 0 HB1 ALA A 12 -3.163 11.317 -8.053 1.00 11.32 H new ATOM 0 HB2 ALA A 12 -3.419 9.670 -8.677 1.00 11.32 H new ATOM 0 HB3 ALA A 12 -1.795 10.396 -8.722 1.00 11.32 H new ATOM 162 N ILE A 13 -1.138 12.447 -10.612 1.00 3.42 N ATOM 163 CA ILE A 13 -0.346 13.655 -10.807 1.00 1.14 C ATOM 164 C ILE A 13 -0.706 14.343 -12.119 1.00 42.44 C ATOM 165 O ILE A 13 -0.935 15.553 -12.155 1.00 20.15 O ATOM 166 CB ILE A 13 1.163 13.345 -10.800 1.00 30.24 C ATOM 167 CG1 ILE A 13 1.567 12.692 -9.476 1.00 72.54 C ATOM 168 CG2 ILE A 13 1.966 14.615 -11.038 1.00 33.02 C ATOM 169 CD1 ILE A 13 1.394 13.601 -8.279 1.00 72.01 C ATOM 0 H ILE A 13 -0.606 11.579 -10.669 1.00 3.42 H new ATOM 0 HA ILE A 13 -0.576 14.321 -9.976 1.00 1.14 H new ATOM 0 HB ILE A 13 1.378 12.646 -11.608 1.00 30.24 H new ATOM 0 HG12 ILE A 13 0.972 11.791 -9.327 1.00 72.54 H new ATOM 0 HG13 ILE A 13 2.609 12.379 -9.537 1.00 72.54 H new ATOM 0 HG21 ILE A 13 3.030 14.379 -11.030 1.00 33.02 H new ATOM 0 HG22 ILE A 13 1.696 15.041 -12.004 1.00 33.02 H new ATOM 0 HG23 ILE A 13 1.748 15.336 -10.250 1.00 33.02 H new ATOM 0 HD11 ILE A 13 1.699 13.074 -7.375 1.00 72.01 H new ATOM 0 HD12 ILE A 13 2.011 14.491 -8.406 1.00 72.01 H new ATOM 0 HD13 ILE A 13 0.348 13.894 -8.193 1.00 72.01 H new ATOM 181 N LYS A 14 -0.757 13.565 -13.194 1.00 21.32 N ATOM 182 CA LYS A 14 -1.093 14.098 -14.509 1.00 30.01 C ATOM 183 C LYS A 14 -2.441 14.810 -14.479 1.00 10.03 C ATOM 184 O LYS A 14 -2.582 15.915 -15.003 1.00 70.55 O ATOM 185 CB LYS A 14 -1.121 12.973 -15.546 1.00 62.21 C ATOM 186 CG LYS A 14 0.153 12.869 -16.366 1.00 71.43 C ATOM 187 CD LYS A 14 1.316 12.363 -15.530 1.00 54.04 C ATOM 188 CE LYS A 14 2.629 12.443 -16.293 1.00 22.11 C ATOM 189 NZ LYS A 14 3.803 12.240 -15.400 1.00 11.34 N ATOM 0 H LYS A 14 -0.570 12.562 -13.181 1.00 21.32 H new ATOM 0 HA LYS A 14 -0.326 14.821 -14.787 1.00 30.01 H new ATOM 0 HB2 LYS A 14 -1.293 12.025 -15.036 1.00 62.21 H new ATOM 0 HB3 LYS A 14 -1.964 13.131 -16.219 1.00 62.21 H new ATOM 0 HG2 LYS A 14 -0.010 12.197 -17.209 1.00 71.43 H new ATOM 0 HG3 LYS A 14 0.400 13.846 -16.781 1.00 71.43 H new ATOM 0 HD2 LYS A 14 1.390 12.950 -14.615 1.00 54.04 H new ATOM 0 HD3 LYS A 14 1.129 11.331 -15.232 1.00 54.04 H new ATOM 0 HE2 LYS A 14 2.638 11.690 -17.081 1.00 22.11 H new ATOM 0 HE3 LYS A 14 2.707 13.415 -16.780 1.00 22.11 H new ATOM 0 HZ1 LYS A 14 4.661 12.595 -15.868 1.00 11.34 H new ATOM 0 HZ2 LYS A 14 3.656 12.757 -14.510 1.00 11.34 H new ATOM 0 HZ3 LYS A 14 3.914 11.226 -15.197 1.00 11.34 H new ATOM 203 N ARG A 15 -3.430 14.171 -13.863 1.00 5.30 N ATOM 204 CA ARG A 15 -4.767 14.743 -13.765 1.00 31.03 C ATOM 205 C ARG A 15 -4.737 16.064 -13.001 1.00 33.11 C ATOM 206 O ARG A 15 -5.362 17.043 -13.411 1.00 70.43 O ATOM 207 CB ARG A 15 -5.716 13.763 -13.073 1.00 62.10 C ATOM 208 CG ARG A 15 -6.244 12.674 -13.993 1.00 60.22 C ATOM 209 CD ARG A 15 -7.385 13.184 -14.861 1.00 52.32 C ATOM 210 NE ARG A 15 -7.750 12.228 -15.902 1.00 73.21 N ATOM 211 CZ ARG A 15 -8.611 12.497 -16.877 1.00 23.04 C ATOM 212 NH1 ARG A 15 -9.191 13.687 -16.945 1.00 13.11 N ATOM 213 NH2 ARG A 15 -8.891 11.575 -17.789 1.00 11.22 N ATOM 0 H ARG A 15 -3.330 13.256 -13.424 1.00 5.30 H new ATOM 0 HA ARG A 15 -5.128 14.934 -14.775 1.00 31.03 H new ATOM 0 HB2 ARG A 15 -5.197 13.298 -12.235 1.00 62.10 H new ATOM 0 HB3 ARG A 15 -6.558 14.317 -12.659 1.00 62.10 H new ATOM 0 HG2 ARG A 15 -5.437 12.310 -14.628 1.00 60.22 H new ATOM 0 HG3 ARG A 15 -6.588 11.828 -13.398 1.00 60.22 H new ATOM 0 HD2 ARG A 15 -8.254 13.387 -14.235 1.00 52.32 H new ATOM 0 HD3 ARG A 15 -7.096 14.129 -15.322 1.00 52.32 H new ATOM 0 HE ARG A 15 -7.321 11.303 -15.879 1.00 73.21 H new ATOM 0 HH11 ARG A 15 -8.977 14.399 -16.247 1.00 13.11 H new ATOM 0 HH12 ARG A 15 -9.852 13.890 -17.695 1.00 13.11 H new ATOM 0 HH21 ARG A 15 -8.445 10.659 -17.742 1.00 11.22 H new ATOM 0 HH22 ARG A 15 -9.552 11.782 -18.537 1.00 11.22 H new ATOM 227 N CYS A 16 -4.010 16.083 -11.890 1.00 53.13 N ATOM 228 CA CYS A 16 -3.901 17.283 -11.068 1.00 23.43 C ATOM 229 C CYS A 16 -3.219 18.409 -11.839 1.00 42.52 C ATOM 230 O CYS A 16 -3.428 19.587 -11.550 1.00 32.22 O ATOM 231 CB CYS A 16 -3.122 16.979 -9.788 1.00 64.15 C ATOM 232 SG CYS A 16 -3.992 17.434 -8.269 1.00 33.33 S ATOM 0 H CYS A 16 -3.487 15.281 -11.537 1.00 53.13 H new ATOM 0 HA CYS A 16 -4.908 17.607 -10.803 1.00 23.43 H new ATOM 0 HB2 CYS A 16 -2.894 15.913 -9.758 1.00 64.15 H new ATOM 0 HB3 CYS A 16 -2.169 17.508 -9.821 1.00 64.15 H new ATOM 0 HG CYS A 16 -3.604 18.613 -7.883 1.00 33.33 H new ATOM 238 N SER A 17 -2.401 18.038 -12.818 1.00 24.04 N ATOM 239 CA SER A 17 -1.683 19.017 -13.626 1.00 3.13 C ATOM 240 C SER A 17 -2.651 20.010 -14.262 1.00 63.35 C ATOM 241 O SER A 17 -2.283 21.146 -14.562 1.00 45.43 O ATOM 242 CB SER A 17 -0.869 18.313 -14.714 1.00 42.12 C ATOM 243 OG SER A 17 0.375 18.960 -14.920 1.00 74.51 O ATOM 0 H SER A 17 -2.219 17.067 -13.071 1.00 24.04 H new ATOM 0 HA SER A 17 -1.005 19.565 -12.972 1.00 3.13 H new ATOM 0 HB2 SER A 17 -0.700 17.274 -14.431 1.00 42.12 H new ATOM 0 HB3 SER A 17 -1.435 18.301 -15.646 1.00 42.12 H new ATOM 0 HG SER A 17 0.876 18.490 -15.619 1.00 74.51 H new ATOM 249 N ASN A 18 -3.889 19.575 -14.464 1.00 14.41 N ATOM 250 CA ASN A 18 -4.910 20.425 -15.064 1.00 75.11 C ATOM 251 C ASN A 18 -5.762 21.094 -13.989 1.00 30.15 C ATOM 252 O ASN A 18 -6.927 21.420 -14.218 1.00 32.04 O ATOM 253 CB ASN A 18 -5.801 19.605 -15.999 1.00 14.44 C ATOM 254 CG ASN A 18 -5.044 19.073 -17.201 1.00 74.44 C ATOM 255 OD1 ASN A 18 -4.702 17.893 -17.260 1.00 0.35 O ATOM 256 ND2 ASN A 18 -4.779 19.947 -18.166 1.00 13.41 N ATOM 0 H ASN A 18 -4.210 18.638 -14.221 1.00 14.41 H new ATOM 0 HA ASN A 18 -4.408 21.202 -15.640 1.00 75.11 H new ATOM 0 HB2 ASN A 18 -6.232 18.770 -15.446 1.00 14.44 H new ATOM 0 HB3 ASN A 18 -6.631 20.224 -16.341 1.00 14.44 H new ATOM 0 HD21 ASN A 18 -4.272 19.649 -18.999 1.00 13.41 H new ATOM 0 HD22 ASN A 18 -5.083 20.916 -18.074 1.00 13.41 H new ATOM 263 N VAL A 19 -5.172 21.296 -12.815 1.00 33.11 N ATOM 264 CA VAL A 19 -5.875 21.927 -11.704 1.00 33.51 C ATOM 265 C VAL A 19 -5.213 23.244 -11.313 1.00 14.53 C ATOM 266 O VAL A 19 -3.991 23.376 -11.365 1.00 54.01 O ATOM 267 CB VAL A 19 -5.924 21.004 -10.473 1.00 54.12 C ATOM 268 CG1 VAL A 19 -6.634 21.692 -9.317 1.00 2.10 C ATOM 269 CG2 VAL A 19 -6.604 19.689 -10.820 1.00 32.45 C ATOM 0 H VAL A 19 -4.209 21.032 -12.609 1.00 33.11 H new ATOM 0 HA VAL A 19 -6.893 22.121 -12.043 1.00 33.51 H new ATOM 0 HB VAL A 19 -4.902 20.787 -10.163 1.00 54.12 H new ATOM 0 HG11 VAL A 19 -6.659 21.024 -8.456 1.00 2.10 H new ATOM 0 HG12 VAL A 19 -6.100 22.605 -9.053 1.00 2.10 H new ATOM 0 HG13 VAL A 19 -7.653 21.941 -9.612 1.00 2.10 H new ATOM 0 HG21 VAL A 19 -6.630 19.049 -9.938 1.00 32.45 H new ATOM 0 HG22 VAL A 19 -7.622 19.884 -11.157 1.00 32.45 H new ATOM 0 HG23 VAL A 19 -6.048 19.190 -11.614 1.00 32.45 H new ATOM 279 N ALA A 20 -6.031 24.216 -10.921 1.00 73.22 N ATOM 280 CA ALA A 20 -5.525 25.522 -10.518 1.00 74.21 C ATOM 281 C ALA A 20 -5.372 25.609 -9.004 1.00 12.41 C ATOM 282 O ALA A 20 -6.260 25.200 -8.256 1.00 2.00 O ATOM 283 CB ALA A 20 -6.447 26.624 -11.021 1.00 22.31 C ATOM 0 H ALA A 20 -7.046 24.123 -10.874 1.00 73.22 H new ATOM 0 HA ALA A 20 -4.540 25.655 -10.965 1.00 74.21 H new ATOM 0 HB1 ALA A 20 -6.057 27.594 -10.713 1.00 22.31 H new ATOM 0 HB2 ALA A 20 -6.502 26.584 -12.109 1.00 22.31 H new ATOM 0 HB3 ALA A 20 -7.444 26.484 -10.602 1.00 22.31 H new ATOM 289 N VAL A 21 -4.239 26.142 -8.557 1.00 74.01 N ATOM 290 CA VAL A 21 -3.971 26.282 -7.131 1.00 63.51 C ATOM 291 C VAL A 21 -3.972 27.748 -6.713 1.00 72.24 C ATOM 292 O VAL A 21 -3.271 28.140 -5.780 1.00 25.35 O ATOM 293 CB VAL A 21 -2.617 25.653 -6.751 1.00 4.10 C ATOM 294 CG1 VAL A 21 -2.711 24.135 -6.763 1.00 50.50 C ATOM 295 CG2 VAL A 21 -1.523 26.135 -7.692 1.00 5.22 C ATOM 0 H VAL A 21 -3.492 26.484 -9.162 1.00 74.01 H new ATOM 0 HA VAL A 21 -4.769 25.757 -6.606 1.00 63.51 H new ATOM 0 HB VAL A 21 -2.360 25.969 -5.740 1.00 4.10 H new ATOM 0 HG11 VAL A 21 -1.745 23.708 -6.492 1.00 50.50 H new ATOM 0 HG12 VAL A 21 -3.465 23.811 -6.045 1.00 50.50 H new ATOM 0 HG13 VAL A 21 -2.991 23.796 -7.760 1.00 50.50 H new ATOM 0 HG21 VAL A 21 -0.573 25.681 -7.409 1.00 5.22 H new ATOM 0 HG22 VAL A 21 -1.771 25.850 -8.714 1.00 5.22 H new ATOM 0 HG23 VAL A 21 -1.440 27.220 -7.628 1.00 5.22 H new ATOM 375 N LYS A 28 -1.549 29.767 -11.019 1.00 22.42 N ATOM 376 CA LYS A 28 -0.634 28.632 -11.010 1.00 3.01 C ATOM 377 C LYS A 28 -1.399 27.314 -11.077 1.00 60.52 C ATOM 378 O LYS A 28 -2.572 27.247 -10.710 1.00 31.42 O ATOM 379 CB LYS A 28 0.237 28.664 -9.752 1.00 61.22 C ATOM 380 CG LYS A 28 1.475 29.532 -9.891 1.00 25.31 C ATOM 381 CD LYS A 28 2.676 28.905 -9.203 1.00 24.43 C ATOM 382 CE LYS A 28 3.155 27.663 -9.940 1.00 54.30 C ATOM 383 NZ LYS A 28 4.500 27.859 -10.545 1.00 61.31 N ATOM 0 HA LYS A 28 0.005 28.706 -11.890 1.00 3.01 H new ATOM 0 HB2 LYS A 28 -0.360 29.029 -8.916 1.00 61.22 H new ATOM 0 HB3 LYS A 28 0.542 27.647 -9.506 1.00 61.22 H new ATOM 0 HG2 LYS A 28 1.698 29.683 -10.947 1.00 25.31 H new ATOM 0 HG3 LYS A 28 1.281 30.515 -9.462 1.00 25.31 H new ATOM 0 HD2 LYS A 28 3.486 29.632 -9.149 1.00 24.43 H new ATOM 0 HD3 LYS A 28 2.414 28.643 -8.178 1.00 24.43 H new ATOM 0 HE2 LYS A 28 3.188 26.821 -9.249 1.00 54.30 H new ATOM 0 HE3 LYS A 28 2.440 27.406 -10.721 1.00 54.30 H new ATOM 0 HZ1 LYS A 28 4.789 26.990 -11.037 1.00 61.31 H new ATOM 0 HZ2 LYS A 28 4.464 28.646 -11.224 1.00 61.31 H new ATOM 0 HZ3 LYS A 28 5.188 28.078 -9.797 1.00 61.31 H new ATOM 397 N LYS A 29 -0.728 26.269 -11.548 1.00 35.52 N ATOM 398 CA LYS A 29 -1.343 24.952 -11.662 1.00 71.15 C ATOM 399 C LYS A 29 -0.731 23.977 -10.661 1.00 71.12 C ATOM 400 O LYS A 29 0.256 24.293 -9.996 1.00 34.44 O ATOM 401 CB LYS A 29 -1.179 24.411 -13.083 1.00 15.14 C ATOM 402 CG LYS A 29 0.238 24.527 -13.619 1.00 13.10 C ATOM 403 CD LYS A 29 0.629 23.303 -14.431 1.00 53.33 C ATOM 404 CE LYS A 29 2.094 23.350 -14.838 1.00 54.11 C ATOM 405 NZ LYS A 29 2.991 23.523 -13.663 1.00 45.32 N ATOM 0 H LYS A 29 0.243 26.309 -11.857 1.00 35.52 H new ATOM 0 HA LYS A 29 -2.405 25.054 -11.440 1.00 71.15 H new ATOM 0 HB2 LYS A 29 -1.481 23.364 -13.101 1.00 15.14 H new ATOM 0 HB3 LYS A 29 -1.855 24.949 -13.748 1.00 15.14 H new ATOM 0 HG2 LYS A 29 0.321 25.419 -14.240 1.00 13.10 H new ATOM 0 HG3 LYS A 29 0.933 24.651 -12.789 1.00 13.10 H new ATOM 0 HD2 LYS A 29 0.441 22.402 -13.847 1.00 53.33 H new ATOM 0 HD3 LYS A 29 0.004 23.241 -15.322 1.00 53.33 H new ATOM 0 HE2 LYS A 29 2.355 22.430 -15.362 1.00 54.11 H new ATOM 0 HE3 LYS A 29 2.250 24.171 -15.538 1.00 54.11 H new ATOM 0 HZ1 LYS A 29 3.851 22.954 -13.796 1.00 45.32 H new ATOM 0 HZ2 LYS A 29 3.251 24.526 -13.569 1.00 45.32 H new ATOM 0 HZ3 LYS A 29 2.499 23.211 -12.802 1.00 45.32 H new ATOM 419 N PHE A 30 -1.322 22.791 -10.560 1.00 63.43 N ATOM 420 CA PHE A 30 -0.833 21.770 -9.641 1.00 14.23 C ATOM 421 C PHE A 30 0.337 21.004 -10.252 1.00 42.52 C ATOM 422 O PHE A 30 0.303 20.626 -11.422 1.00 10.42 O ATOM 423 CB PHE A 30 -1.959 20.799 -9.278 1.00 60.43 C ATOM 424 CG PHE A 30 -2.158 20.638 -7.799 1.00 45.12 C ATOM 425 CD1 PHE A 30 -3.344 21.029 -7.199 1.00 2.20 C ATOM 426 CD2 PHE A 30 -1.158 20.094 -7.007 1.00 75.23 C ATOM 427 CE1 PHE A 30 -3.530 20.881 -5.837 1.00 61.11 C ATOM 428 CE2 PHE A 30 -1.339 19.944 -5.646 1.00 65.13 C ATOM 429 CZ PHE A 30 -2.525 20.339 -5.060 1.00 54.53 C ATOM 0 H PHE A 30 -2.140 22.513 -11.103 1.00 63.43 H new ATOM 0 HA PHE A 30 -0.486 22.268 -8.736 1.00 14.23 H new ATOM 0 HB2 PHE A 30 -2.889 21.150 -9.725 1.00 60.43 H new ATOM 0 HB3 PHE A 30 -1.743 19.824 -9.716 1.00 60.43 H new ATOM 0 HD1 PHE A 30 -4.132 21.454 -7.802 1.00 2.20 H new ATOM 0 HD2 PHE A 30 -0.228 19.784 -7.459 1.00 75.23 H new ATOM 0 HE1 PHE A 30 -4.460 21.189 -5.381 1.00 61.11 H new ATOM 0 HE2 PHE A 30 -0.553 19.518 -5.040 1.00 65.13 H new ATOM 0 HZ PHE A 30 -2.667 20.224 -3.995 1.00 54.53 H new ATOM 439 N GLY A 31 1.373 20.779 -9.448 1.00 31.43 N ATOM 440 CA GLY A 31 2.539 20.060 -9.926 1.00 10.04 C ATOM 441 C GLY A 31 2.932 18.919 -9.010 1.00 3.34 C ATOM 442 O GLY A 31 2.424 18.807 -7.895 1.00 10.34 O ATOM 0 H GLY A 31 1.425 21.082 -8.475 1.00 31.43 H new ATOM 0 HA2 GLY A 31 2.337 19.668 -10.923 1.00 10.04 H new ATOM 0 HA3 GLY A 31 3.376 20.752 -10.019 1.00 10.04 H new ATOM 446 N GLU A 32 3.837 18.067 -9.482 1.00 0.14 N ATOM 447 CA GLU A 32 4.295 16.926 -8.697 1.00 34.42 C ATOM 448 C GLU A 32 5.021 17.388 -7.438 1.00 64.35 C ATOM 449 O GLU A 32 4.807 16.852 -6.352 1.00 70.31 O ATOM 450 CB GLU A 32 5.218 16.039 -9.536 1.00 73.32 C ATOM 451 CG GLU A 32 6.408 16.781 -10.121 1.00 71.22 C ATOM 452 CD GLU A 32 7.664 16.619 -9.287 1.00 0.22 C ATOM 453 OE1 GLU A 32 8.760 16.929 -9.799 1.00 60.14 O ATOM 454 OE2 GLU A 32 7.551 16.182 -8.122 1.00 63.41 O ATOM 0 H GLU A 32 4.267 18.145 -10.403 1.00 0.14 H new ATOM 0 HA GLU A 32 3.420 16.348 -8.399 1.00 34.42 H new ATOM 0 HB2 GLU A 32 5.581 15.218 -8.917 1.00 73.32 H new ATOM 0 HB3 GLU A 32 4.642 15.595 -10.348 1.00 73.32 H new ATOM 0 HG2 GLU A 32 6.598 16.417 -11.131 1.00 71.22 H new ATOM 0 HG3 GLU A 32 6.166 17.840 -10.204 1.00 71.22 H new ATOM 461 N GLY A 33 5.884 18.388 -7.592 1.00 74.53 N ATOM 462 CA GLY A 33 6.630 18.907 -6.461 1.00 42.35 C ATOM 463 C GLY A 33 5.727 19.430 -5.362 1.00 63.30 C ATOM 464 O GLY A 33 5.919 19.114 -4.188 1.00 23.25 O ATOM 0 H GLY A 33 6.080 18.848 -8.481 1.00 74.53 H new ATOM 0 HA2 GLY A 33 7.268 18.120 -6.059 1.00 42.35 H new ATOM 0 HA3 GLY A 33 7.287 19.708 -6.800 1.00 42.35 H new ATOM 468 N ASN A 34 4.741 20.236 -5.742 1.00 1.42 N ATOM 469 CA ASN A 34 3.806 20.806 -4.779 1.00 71.24 C ATOM 470 C ASN A 34 3.030 19.709 -4.058 1.00 60.34 C ATOM 471 O ASN A 34 2.853 19.757 -2.840 1.00 35.34 O ATOM 472 CB ASN A 34 2.834 21.757 -5.481 1.00 22.41 C ATOM 473 CG ASN A 34 3.378 23.169 -5.584 1.00 21.31 C ATOM 474 OD1 ASN A 34 4.535 23.426 -5.251 1.00 64.33 O ATOM 475 ND2 ASN A 34 2.543 24.092 -6.047 1.00 4.03 N ATOM 0 H ASN A 34 4.569 20.509 -6.710 1.00 1.42 H new ATOM 0 HA ASN A 34 4.381 21.365 -4.040 1.00 71.24 H new ATOM 0 HB2 ASN A 34 2.619 21.380 -6.481 1.00 22.41 H new ATOM 0 HB3 ASN A 34 1.890 21.773 -4.937 1.00 22.41 H new ATOM 0 HD21 ASN A 34 2.852 25.060 -6.139 1.00 4.03 H new ATOM 0 HD22 ASN A 34 1.592 23.833 -6.311 1.00 4.03 H new ATOM 482 N PHE A 35 2.569 18.721 -4.818 1.00 65.01 N ATOM 483 CA PHE A 35 1.811 17.611 -4.252 1.00 64.11 C ATOM 484 C PHE A 35 2.590 16.940 -3.124 1.00 23.25 C ATOM 485 O PHE A 35 2.033 16.625 -2.072 1.00 64.32 O ATOM 486 CB PHE A 35 1.480 16.586 -5.338 1.00 55.21 C ATOM 487 CG PHE A 35 0.937 15.294 -4.798 1.00 51.14 C ATOM 488 CD1 PHE A 35 1.622 14.105 -4.992 1.00 34.33 C ATOM 489 CD2 PHE A 35 -0.256 15.268 -4.095 1.00 12.14 C ATOM 490 CE1 PHE A 35 1.126 12.914 -4.496 1.00 40.34 C ATOM 491 CE2 PHE A 35 -0.757 14.080 -3.597 1.00 51.45 C ATOM 492 CZ PHE A 35 -0.066 12.902 -3.798 1.00 0.31 C ATOM 0 H PHE A 35 2.707 18.666 -5.827 1.00 65.01 H new ATOM 0 HA PHE A 35 0.883 18.009 -3.842 1.00 64.11 H new ATOM 0 HB2 PHE A 35 0.752 17.018 -6.024 1.00 55.21 H new ATOM 0 HB3 PHE A 35 2.380 16.379 -5.917 1.00 55.21 H new ATOM 0 HD1 PHE A 35 2.554 14.109 -5.537 1.00 34.33 H new ATOM 0 HD2 PHE A 35 -0.801 16.186 -3.934 1.00 12.14 H new ATOM 0 HE1 PHE A 35 1.670 11.994 -4.654 1.00 40.34 H new ATOM 0 HE2 PHE A 35 -1.689 14.073 -3.051 1.00 51.45 H new ATOM 0 HZ PHE A 35 -0.457 11.973 -3.410 1.00 0.31 H new ATOM 502 N ARG A 36 3.881 16.724 -3.353 1.00 3.42 N ATOM 503 CA ARG A 36 4.737 16.088 -2.358 1.00 42.24 C ATOM 504 C ARG A 36 4.804 16.924 -1.083 1.00 71.43 C ATOM 505 O ARG A 36 4.532 16.431 0.011 1.00 2.05 O ATOM 506 CB ARG A 36 6.145 15.883 -2.920 1.00 71.51 C ATOM 507 CG ARG A 36 6.160 15.294 -4.321 1.00 24.43 C ATOM 508 CD ARG A 36 7.029 14.048 -4.392 1.00 20.24 C ATOM 509 NE ARG A 36 8.379 14.292 -3.893 1.00 63.51 N ATOM 510 CZ ARG A 36 9.315 14.932 -4.586 1.00 75.02 C ATOM 511 NH1 ARG A 36 9.047 15.389 -5.801 1.00 64.25 N ATOM 512 NH2 ARG A 36 10.521 15.116 -4.063 1.00 14.01 N ATOM 0 H ARG A 36 4.357 16.980 -4.218 1.00 3.42 H new ATOM 0 HA ARG A 36 4.306 15.117 -2.113 1.00 42.24 H new ATOM 0 HB2 ARG A 36 6.666 16.841 -2.932 1.00 71.51 H new ATOM 0 HB3 ARG A 36 6.702 15.226 -2.252 1.00 71.51 H new ATOM 0 HG2 ARG A 36 5.142 15.047 -4.624 1.00 24.43 H new ATOM 0 HG3 ARG A 36 6.531 16.038 -5.026 1.00 24.43 H new ATOM 0 HD2 ARG A 36 6.567 13.250 -3.811 1.00 20.24 H new ATOM 0 HD3 ARG A 36 7.081 13.701 -5.424 1.00 20.24 H new ATOM 0 HE ARG A 36 8.617 13.953 -2.961 1.00 63.51 H new ATOM 0 HH11 ARG A 36 8.121 15.250 -6.206 1.00 64.25 H new ATOM 0 HH12 ARG A 36 9.767 15.880 -6.331 1.00 64.25 H new ATOM 0 HH21 ARG A 36 10.730 14.766 -3.128 1.00 14.01 H new ATOM 0 HH22 ARG A 36 11.238 15.607 -4.596 1.00 14.01 H new ATOM 526 N TRP A 37 5.167 18.193 -1.234 1.00 73.53 N ATOM 527 CA TRP A 37 5.271 19.099 -0.096 1.00 14.34 C ATOM 528 C TRP A 37 3.984 19.092 0.723 1.00 53.14 C ATOM 529 O TRP A 37 4.012 19.276 1.940 1.00 15.41 O ATOM 530 CB TRP A 37 5.578 20.519 -0.573 1.00 24.41 C ATOM 531 CG TRP A 37 5.419 21.554 0.499 1.00 74.41 C ATOM 532 CD1 TRP A 37 6.412 22.114 1.251 1.00 62.21 C ATOM 533 CD2 TRP A 37 4.194 22.149 0.940 1.00 72.04 C ATOM 534 NE1 TRP A 37 5.878 23.023 2.133 1.00 24.35 N ATOM 535 CE2 TRP A 37 4.520 23.064 1.962 1.00 71.11 C ATOM 536 CE3 TRP A 37 2.855 22.002 0.571 1.00 75.13 C ATOM 537 CZ2 TRP A 37 3.554 23.823 2.616 1.00 73.22 C ATOM 538 CZ3 TRP A 37 1.897 22.757 1.222 1.00 12.13 C ATOM 539 CH2 TRP A 37 2.251 23.658 2.234 1.00 74.33 C ATOM 0 H TRP A 37 5.394 18.618 -2.133 1.00 73.53 H new ATOM 0 HA TRP A 37 6.087 18.753 0.539 1.00 14.34 H new ATOM 0 HB2 TRP A 37 6.599 20.554 -0.953 1.00 24.41 H new ATOM 0 HB3 TRP A 37 4.919 20.765 -1.406 1.00 24.41 H new ATOM 0 HD1 TRP A 37 7.462 21.877 1.165 1.00 62.21 H new ATOM 0 HE1 TRP A 37 6.408 23.577 2.806 1.00 24.35 H new ATOM 0 HE3 TRP A 37 2.573 21.311 -0.209 1.00 75.13 H new ATOM 0 HZ2 TRP A 37 3.824 24.518 3.398 1.00 73.22 H new ATOM 0 HZ3 TRP A 37 0.858 22.650 0.946 1.00 12.13 H new ATOM 0 HH2 TRP A 37 1.479 24.234 2.723 1.00 74.33 H new ATOM 550 N ALA A 38 2.859 18.880 0.048 1.00 4.42 N ATOM 551 CA ALA A 38 1.563 18.847 0.715 1.00 62.32 C ATOM 552 C ALA A 38 1.311 17.488 1.359 1.00 41.24 C ATOM 553 O ALA A 38 1.218 17.378 2.582 1.00 70.32 O ATOM 554 CB ALA A 38 0.453 19.180 -0.272 1.00 5.02 C ATOM 0 H ALA A 38 2.819 18.729 -0.960 1.00 4.42 H new ATOM 0 HA ALA A 38 1.569 19.598 1.505 1.00 62.32 H new ATOM 0 HB1 ALA A 38 -0.509 19.152 0.239 1.00 5.02 H new ATOM 0 HB2 ALA A 38 0.617 20.177 -0.681 1.00 5.02 H new ATOM 0 HB3 ALA A 38 0.455 18.450 -1.082 1.00 5.02 H new ATOM 560 N ILE A 39 1.201 16.457 0.529 1.00 14.15 N ATOM 561 CA ILE A 39 0.960 15.105 1.018 1.00 1.30 C ATOM 562 C ILE A 39 1.939 14.740 2.130 1.00 23.23 C ATOM 563 O ILE A 39 1.595 14.008 3.058 1.00 63.31 O ATOM 564 CB ILE A 39 1.075 14.067 -0.113 1.00 2.14 C ATOM 565 CG1 ILE A 39 0.619 12.692 0.377 1.00 51.41 C ATOM 566 CG2 ILE A 39 2.504 14.004 -0.631 1.00 53.31 C ATOM 567 CD1 ILE A 39 -0.236 11.946 -0.622 1.00 14.22 C ATOM 0 H ILE A 39 1.275 16.532 -0.486 1.00 14.15 H new ATOM 0 HA ILE A 39 -0.056 15.089 1.412 1.00 1.30 H new ATOM 0 HB ILE A 39 0.425 14.373 -0.933 1.00 2.14 H new ATOM 0 HG12 ILE A 39 1.497 12.090 0.612 1.00 51.41 H new ATOM 0 HG13 ILE A 39 0.058 12.813 1.304 1.00 51.41 H new ATOM 0 HG21 ILE A 39 2.569 13.266 -1.430 1.00 53.31 H new ATOM 0 HG22 ILE A 39 2.795 14.982 -1.015 1.00 53.31 H new ATOM 0 HG23 ILE A 39 3.173 13.720 0.181 1.00 53.31 H new ATOM 0 HD11 ILE A 39 -0.522 10.980 -0.206 1.00 14.22 H new ATOM 0 HD12 ILE A 39 -1.132 12.527 -0.840 1.00 14.22 H new ATOM 0 HD13 ILE A 39 0.329 11.792 -1.541 1.00 14.22 H new ATOM 579 N ARG A 40 3.159 15.256 2.028 1.00 43.30 N ATOM 580 CA ARG A 40 4.189 14.985 3.024 1.00 41.32 C ATOM 581 C ARG A 40 3.930 15.777 4.303 1.00 33.24 C ATOM 582 O ARG A 40 3.814 15.205 5.386 1.00 42.22 O ATOM 583 CB ARG A 40 5.571 15.331 2.468 1.00 71.42 C ATOM 584 CG ARG A 40 6.714 14.938 3.389 1.00 31.33 C ATOM 585 CD ARG A 40 8.054 15.006 2.674 1.00 24.44 C ATOM 586 NE ARG A 40 8.397 16.370 2.282 1.00 64.13 N ATOM 587 CZ ARG A 40 9.546 16.703 1.702 1.00 3.55 C ATOM 588 NH1 ARG A 40 10.456 15.773 1.447 1.00 1.31 N ATOM 589 NH2 ARG A 40 9.785 17.966 1.376 1.00 3.31 N ATOM 0 H ARG A 40 3.459 15.864 1.266 1.00 43.30 H new ATOM 0 HA ARG A 40 4.157 13.922 3.262 1.00 41.32 H new ATOM 0 HB2 ARG A 40 5.702 14.833 1.507 1.00 71.42 H new ATOM 0 HB3 ARG A 40 5.620 16.404 2.280 1.00 71.42 H new ATOM 0 HG2 ARG A 40 6.729 15.599 4.255 1.00 31.33 H new ATOM 0 HG3 ARG A 40 6.551 13.927 3.763 1.00 31.33 H new ATOM 0 HD2 ARG A 40 8.833 14.609 3.325 1.00 24.44 H new ATOM 0 HD3 ARG A 40 8.025 14.371 1.789 1.00 24.44 H new ATOM 0 HE ARG A 40 7.717 17.109 2.463 1.00 64.13 H new ATOM 0 HH11 ARG A 40 10.275 14.801 1.696 1.00 1.31 H new ATOM 0 HH12 ARG A 40 11.337 16.030 1.002 1.00 1.31 H new ATOM 0 HH21 ARG A 40 9.087 18.684 1.570 1.00 3.31 H new ATOM 0 HH22 ARG A 40 10.667 18.220 0.931 1.00 3.31 H new ATOM 603 N MET A 41 3.841 17.096 4.168 1.00 22.45 N ATOM 604 CA MET A 41 3.595 17.966 5.312 1.00 63.53 C ATOM 605 C MET A 41 2.339 17.537 6.062 1.00 34.51 C ATOM 606 O MET A 41 2.283 17.603 7.289 1.00 64.23 O ATOM 607 CB MET A 41 3.459 19.420 4.854 1.00 23.45 C ATOM 608 CG MET A 41 4.792 20.106 4.605 1.00 24.44 C ATOM 609 SD MET A 41 5.363 21.053 6.028 1.00 62.13 S ATOM 610 CE MET A 41 6.928 20.249 6.364 1.00 52.02 C ATOM 0 H MET A 41 3.936 17.586 3.278 1.00 22.45 H new ATOM 0 HA MET A 41 4.446 17.884 5.989 1.00 63.53 H new ATOM 0 HB2 MET A 41 2.868 19.450 3.939 1.00 23.45 H new ATOM 0 HB3 MET A 41 2.907 19.980 5.609 1.00 23.45 H new ATOM 0 HG2 MET A 41 5.540 19.356 4.349 1.00 24.44 H new ATOM 0 HG3 MET A 41 4.699 20.770 3.745 1.00 24.44 H new ATOM 0 HE1 MET A 41 7.405 20.724 7.221 1.00 52.02 H new ATOM 0 HE2 MET A 41 6.756 19.195 6.583 1.00 52.02 H new ATOM 0 HE3 MET A 41 7.577 20.338 5.493 1.00 52.02 H new ATOM 620 N ALA A 42 1.331 17.097 5.315 1.00 11.34 N ATOM 621 CA ALA A 42 0.076 16.655 5.909 1.00 54.41 C ATOM 622 C ALA A 42 0.257 15.342 6.663 1.00 54.00 C ATOM 623 O ALA A 42 -0.252 15.175 7.770 1.00 53.00 O ATOM 624 CB ALA A 42 -0.993 16.507 4.836 1.00 55.34 C ATOM 0 H ALA A 42 1.360 17.037 4.297 1.00 11.34 H new ATOM 0 HA ALA A 42 -0.245 17.412 6.624 1.00 54.41 H new ATOM 0 HB1 ALA A 42 -1.925 16.176 5.294 1.00 55.34 H new ATOM 0 HB2 ALA A 42 -1.151 17.467 4.345 1.00 55.34 H new ATOM 0 HB3 ALA A 42 -0.670 15.771 4.099 1.00 55.34 H new ATOM 630 N ASN A 43 0.987 14.412 6.055 1.00 34.22 N ATOM 631 CA ASN A 43 1.234 13.113 6.669 1.00 31.15 C ATOM 632 C ASN A 43 1.936 13.271 8.013 1.00 64.23 C ATOM 633 O ASN A 43 1.505 12.712 9.022 1.00 70.41 O ATOM 634 CB ASN A 43 2.079 12.239 5.739 1.00 20.30 C ATOM 635 CG ASN A 43 1.242 11.229 4.977 1.00 4.11 C ATOM 636 OD1 ASN A 43 0.014 11.299 4.975 1.00 54.20 O ATOM 637 ND2 ASN A 43 1.907 10.282 4.326 1.00 3.14 N ATOM 0 H ASN A 43 1.417 14.534 5.138 1.00 34.22 H new ATOM 0 HA ASN A 43 0.272 12.629 6.837 1.00 31.15 H new ATOM 0 HB2 ASN A 43 2.610 12.875 5.031 1.00 20.30 H new ATOM 0 HB3 ASN A 43 2.834 11.714 6.324 1.00 20.30 H new ATOM 0 HD21 ASN A 43 1.398 9.574 3.796 1.00 3.14 H new ATOM 0 HD22 ASN A 43 2.926 10.263 4.355 1.00 3.14 H new ATOM 644 N VAL A 44 3.024 14.038 8.021 1.00 13.44 N ATOM 645 CA VAL A 44 3.785 14.271 9.241 1.00 60.21 C ATOM 646 C VAL A 44 2.927 14.945 10.305 1.00 74.14 C ATOM 647 O VAL A 44 2.994 14.599 11.484 1.00 11.33 O ATOM 648 CB VAL A 44 5.026 15.144 8.970 1.00 10.44 C ATOM 649 CG1 VAL A 44 5.809 15.373 10.253 1.00 52.32 C ATOM 650 CG2 VAL A 44 5.904 14.503 7.906 1.00 4.41 C ATOM 0 H VAL A 44 3.396 14.507 7.196 1.00 13.44 H new ATOM 0 HA VAL A 44 4.107 13.295 9.604 1.00 60.21 H new ATOM 0 HB VAL A 44 4.694 16.114 8.599 1.00 10.44 H new ATOM 0 HG11 VAL A 44 6.681 15.991 10.041 1.00 52.32 H new ATOM 0 HG12 VAL A 44 5.174 15.878 10.981 1.00 52.32 H new ATOM 0 HG13 VAL A 44 6.133 14.414 10.657 1.00 52.32 H new ATOM 0 HG21 VAL A 44 6.776 15.132 7.726 1.00 4.41 H new ATOM 0 HG22 VAL A 44 6.230 13.520 8.247 1.00 4.41 H new ATOM 0 HG23 VAL A 44 5.337 14.397 6.981 1.00 4.41 H new ATOM 660 N SER A 45 2.118 15.912 9.880 1.00 21.24 N ATOM 661 CA SER A 45 1.247 16.638 10.797 1.00 13.20 C ATOM 662 C SER A 45 0.343 15.676 11.563 1.00 72.25 C ATOM 663 O SER A 45 -0.103 15.975 12.672 1.00 32.41 O ATOM 664 CB SER A 45 0.396 17.653 10.030 1.00 45.43 C ATOM 665 OG SER A 45 1.209 18.639 9.418 1.00 71.10 O ATOM 0 H SER A 45 2.048 16.210 8.907 1.00 21.24 H new ATOM 0 HA SER A 45 1.875 17.168 11.513 1.00 13.20 H new ATOM 0 HB2 SER A 45 -0.192 17.139 9.270 1.00 45.43 H new ATOM 0 HB3 SER A 45 -0.309 18.130 10.711 1.00 45.43 H new ATOM 0 HG SER A 45 1.625 18.266 8.613 1.00 71.10 H new ATOM 671 N THR A 46 0.077 14.520 10.965 1.00 23.11 N ATOM 672 CA THR A 46 -0.774 13.514 11.590 1.00 24.34 C ATOM 673 C THR A 46 0.059 12.402 12.217 1.00 30.34 C ATOM 674 O THR A 46 -0.368 11.250 12.274 1.00 51.42 O ATOM 675 CB THR A 46 -1.751 12.896 10.572 1.00 14.44 C ATOM 676 OG1 THR A 46 -1.073 12.633 9.338 1.00 15.42 O ATOM 677 CG2 THR A 46 -2.930 13.824 10.321 1.00 60.33 C ATOM 0 H THR A 46 0.438 14.256 10.048 1.00 23.11 H new ATOM 0 HA THR A 46 -1.344 14.021 12.369 1.00 24.34 H new ATOM 0 HB THR A 46 -2.127 11.960 10.985 1.00 14.44 H new ATOM 0 HG1 THR A 46 -0.129 12.442 9.518 1.00 15.42 H new ATOM 0 HG21 THR A 46 -3.606 13.366 9.599 1.00 60.33 H new ATOM 0 HG22 THR A 46 -3.462 13.998 11.256 1.00 60.33 H new ATOM 0 HG23 THR A 46 -2.568 14.774 9.928 1.00 60.33 H new ATOM 685 N GLY A 47 1.252 12.756 12.687 1.00 10.43 N ATOM 686 CA GLY A 47 2.126 11.776 13.306 1.00 15.24 C ATOM 687 C GLY A 47 2.339 10.555 12.431 1.00 50.03 C ATOM 688 O GLY A 47 2.589 9.460 12.933 1.00 51.34 O ATOM 0 H GLY A 47 1.628 13.703 12.650 1.00 10.43 H new ATOM 0 HA2 GLY A 47 3.090 12.238 13.521 1.00 15.24 H new ATOM 0 HA3 GLY A 47 1.701 11.466 14.260 1.00 15.24 H new ATOM 692 N ARG A 48 2.238 10.745 11.120 1.00 2.02 N ATOM 693 CA ARG A 48 2.419 9.650 10.174 1.00 53.21 C ATOM 694 C ARG A 48 3.806 9.704 9.540 1.00 2.31 C ATOM 695 O ARG A 48 4.265 10.763 9.117 1.00 72.42 O ATOM 696 CB ARG A 48 1.347 9.707 9.085 1.00 20.05 C ATOM 697 CG ARG A 48 0.631 8.384 8.865 1.00 12.23 C ATOM 698 CD ARG A 48 -0.359 8.094 9.983 1.00 72.52 C ATOM 699 NE ARG A 48 0.260 7.372 11.090 1.00 43.04 N ATOM 700 CZ ARG A 48 0.609 6.093 11.029 1.00 24.02 C ATOM 701 NH1 ARG A 48 0.400 5.397 9.920 1.00 22.43 N ATOM 702 NH2 ARG A 48 1.169 5.505 12.080 1.00 32.23 N ATOM 0 H ARG A 48 2.032 11.646 10.689 1.00 2.02 H new ATOM 0 HA ARG A 48 2.324 8.711 10.720 1.00 53.21 H new ATOM 0 HB2 ARG A 48 0.613 10.468 9.349 1.00 20.05 H new ATOM 0 HB3 ARG A 48 1.809 10.021 8.149 1.00 20.05 H new ATOM 0 HG2 ARG A 48 0.106 8.407 7.910 1.00 12.23 H new ATOM 0 HG3 ARG A 48 1.363 7.578 8.807 1.00 12.23 H new ATOM 0 HD2 ARG A 48 -0.776 9.032 10.350 1.00 72.52 H new ATOM 0 HD3 ARG A 48 -1.190 7.509 9.588 1.00 72.52 H new ATOM 0 HE ARG A 48 0.434 7.878 11.958 1.00 43.04 H new ATOM 0 HH11 ARG A 48 -0.030 5.844 9.111 1.00 22.43 H new ATOM 0 HH12 ARG A 48 0.669 4.414 9.876 1.00 22.43 H new ATOM 0 HH21 ARG A 48 1.331 6.036 12.935 1.00 32.23 H new ATOM 0 HH22 ARG A 48 1.437 4.522 12.032 1.00 32.23 H new ATOM 716 N GLU A 49 4.468 8.552 9.480 1.00 24.45 N ATOM 717 CA GLU A 49 5.803 8.468 8.899 1.00 24.32 C ATOM 718 C GLU A 49 5.830 9.091 7.506 1.00 30.24 C ATOM 719 O GLU A 49 4.800 9.259 6.853 1.00 55.21 O ATOM 720 CB GLU A 49 6.262 7.010 8.827 1.00 75.14 C ATOM 721 CG GLU A 49 7.033 6.554 10.054 1.00 63.02 C ATOM 722 CD GLU A 49 6.328 5.442 10.806 1.00 24.31 C ATOM 723 OE1 GLU A 49 6.550 4.262 10.462 1.00 51.42 O ATOM 724 OE2 GLU A 49 5.556 5.751 11.737 1.00 1.01 O ATOM 0 H GLU A 49 4.102 7.665 9.826 1.00 24.45 H new ATOM 0 HA GLU A 49 6.486 9.025 9.541 1.00 24.32 H new ATOM 0 HB2 GLU A 49 5.390 6.369 8.697 1.00 75.14 H new ATOM 0 HB3 GLU A 49 6.888 6.878 7.945 1.00 75.14 H new ATOM 0 HG2 GLU A 49 8.022 6.212 9.750 1.00 63.02 H new ATOM 0 HG3 GLU A 49 7.180 7.403 10.722 1.00 63.02 H new ATOM 731 N PRO A 50 7.037 9.442 7.038 1.00 4.43 N ATOM 732 CA PRO A 50 7.229 10.051 5.719 1.00 2.34 C ATOM 733 C PRO A 50 6.966 9.068 4.583 1.00 41.32 C ATOM 734 O PRO A 50 6.537 9.459 3.498 1.00 45.20 O ATOM 735 CB PRO A 50 8.701 10.472 5.733 1.00 0.22 C ATOM 736 CG PRO A 50 9.347 9.555 6.713 1.00 23.23 C ATOM 737 CD PRO A 50 8.309 9.270 7.762 1.00 72.01 C ATOM 0 HA PRO A 50 6.538 10.876 5.546 1.00 2.34 H new ATOM 0 HB2 PRO A 50 9.150 10.375 4.745 1.00 0.22 H new ATOM 0 HB3 PRO A 50 8.812 11.514 6.033 1.00 0.22 H new ATOM 0 HG2 PRO A 50 9.675 8.635 6.229 1.00 23.23 H new ATOM 0 HG3 PRO A 50 10.231 10.016 7.154 1.00 23.23 H new ATOM 0 HD2 PRO A 50 8.410 8.262 8.164 1.00 72.01 H new ATOM 0 HD3 PRO A 50 8.389 9.958 8.604 1.00 72.01 H new ATOM 745 N GLY A 51 7.228 7.790 4.840 1.00 54.31 N ATOM 746 CA GLY A 51 7.013 6.771 3.829 1.00 11.12 C ATOM 747 C GLY A 51 5.596 6.231 3.843 1.00 25.13 C ATOM 748 O GLY A 51 5.388 5.017 3.851 1.00 30.13 O ATOM 0 H GLY A 51 7.585 7.442 5.730 1.00 54.31 H new ATOM 0 HA2 GLY A 51 7.230 7.188 2.845 1.00 11.12 H new ATOM 0 HA3 GLY A 51 7.713 5.951 3.989 1.00 11.12 H new ATOM 752 N ASP A 52 4.621 7.132 3.846 1.00 41.20 N ATOM 753 CA ASP A 52 3.216 6.738 3.860 1.00 64.21 C ATOM 754 C ASP A 52 2.529 7.137 2.558 1.00 10.32 C ATOM 755 O ASP A 52 2.287 8.318 2.309 1.00 61.34 O ATOM 756 CB ASP A 52 2.497 7.379 5.048 1.00 12.43 C ATOM 757 CG ASP A 52 2.238 6.390 6.169 1.00 61.10 C ATOM 758 OD1 ASP A 52 3.203 5.738 6.619 1.00 0.43 O ATOM 759 OD2 ASP A 52 1.071 6.271 6.596 1.00 23.44 O ATOM 0 H ASP A 52 4.776 8.140 3.839 1.00 41.20 H new ATOM 0 HA ASP A 52 3.168 5.654 3.959 1.00 64.21 H new ATOM 0 HB2 ASP A 52 3.096 8.207 5.428 1.00 12.43 H new ATOM 0 HB3 ASP A 52 1.549 7.800 4.712 1.00 12.43 H new ATOM 764 N ILE A 53 2.217 6.144 1.732 1.00 53.12 N ATOM 765 CA ILE A 53 1.557 6.392 0.456 1.00 14.34 C ATOM 766 C ILE A 53 0.147 5.808 0.444 1.00 40.13 C ATOM 767 O ILE A 53 -0.124 4.788 -0.190 1.00 1.12 O ATOM 768 CB ILE A 53 2.357 5.795 -0.717 1.00 11.51 C ATOM 769 CG1 ILE A 53 3.817 6.248 -0.649 1.00 53.33 C ATOM 770 CG2 ILE A 53 1.732 6.200 -2.044 1.00 23.22 C ATOM 771 CD1 ILE A 53 3.987 7.749 -0.709 1.00 50.23 C ATOM 0 H ILE A 53 2.410 5.161 1.923 1.00 53.12 H new ATOM 0 HA ILE A 53 1.501 7.474 0.334 1.00 14.34 H new ATOM 0 HB ILE A 53 2.330 4.708 -0.641 1.00 11.51 H new ATOM 0 HG12 ILE A 53 4.261 5.877 0.274 1.00 53.33 H new ATOM 0 HG13 ILE A 53 4.368 5.795 -1.473 1.00 53.33 H new ATOM 0 HG21 ILE A 53 2.308 5.771 -2.864 1.00 23.22 H new ATOM 0 HG22 ILE A 53 0.707 5.833 -2.090 1.00 23.22 H new ATOM 0 HG23 ILE A 53 1.733 7.287 -2.130 1.00 23.22 H new ATOM 0 HD11 ILE A 53 5.047 7.998 -0.656 1.00 50.23 H new ATOM 0 HD12 ILE A 53 3.573 8.125 -1.644 1.00 50.23 H new ATOM 0 HD13 ILE A 53 3.464 8.208 0.130 1.00 50.23 H new ATOM 783 N PRO A 54 -0.774 6.471 1.160 1.00 3.24 N ATOM 784 CA PRO A 54 -2.172 6.037 1.245 1.00 63.23 C ATOM 785 C PRO A 54 -2.918 6.224 -0.071 1.00 0.41 C ATOM 786 O PRO A 54 -3.058 7.343 -0.562 1.00 31.41 O ATOM 787 CB PRO A 54 -2.759 6.948 2.327 1.00 34.41 C ATOM 788 CG PRO A 54 -1.902 8.166 2.304 1.00 63.31 C ATOM 789 CD PRO A 54 -0.521 7.694 1.940 1.00 33.35 C ATOM 0 HA PRO A 54 -2.257 4.974 1.470 1.00 63.23 H new ATOM 0 HB2 PRO A 54 -3.800 7.193 2.116 1.00 34.41 H new ATOM 0 HB3 PRO A 54 -2.736 6.467 3.305 1.00 34.41 H new ATOM 0 HG2 PRO A 54 -2.271 8.889 1.577 1.00 63.31 H new ATOM 0 HG3 PRO A 54 -1.902 8.661 3.275 1.00 63.31 H new ATOM 0 HD2 PRO A 54 0.017 8.440 1.355 1.00 33.35 H new ATOM 0 HD3 PRO A 54 0.080 7.489 2.826 1.00 33.35 H new ATOM 797 N GLU A 55 -3.396 5.120 -0.637 1.00 1.24 N ATOM 798 CA GLU A 55 -4.128 5.163 -1.897 1.00 44.13 C ATOM 799 C GLU A 55 -5.584 4.755 -1.695 1.00 64.34 C ATOM 800 O GLU A 55 -6.109 3.906 -2.416 1.00 71.44 O ATOM 801 CB GLU A 55 -3.467 4.246 -2.928 1.00 14.14 C ATOM 802 CG GLU A 55 -3.959 4.472 -4.348 1.00 24.04 C ATOM 803 CD GLU A 55 -4.367 3.183 -5.036 1.00 71.42 C ATOM 804 OE1 GLU A 55 -3.492 2.314 -5.233 1.00 32.35 O ATOM 805 OE2 GLU A 55 -5.559 3.045 -5.379 1.00 52.22 O ATOM 0 H GLU A 55 -3.289 4.185 -0.243 1.00 1.24 H new ATOM 0 HA GLU A 55 -4.105 6.188 -2.266 1.00 44.13 H new ATOM 0 HB2 GLU A 55 -2.388 4.398 -2.898 1.00 14.14 H new ATOM 0 HB3 GLU A 55 -3.651 3.208 -2.650 1.00 14.14 H new ATOM 0 HG2 GLU A 55 -4.809 5.155 -4.330 1.00 24.04 H new ATOM 0 HG3 GLU A 55 -3.173 4.956 -4.928 1.00 24.04 H new ATOM 812 N THR A 56 -6.232 5.365 -0.707 1.00 31.13 N ATOM 813 CA THR A 56 -7.626 5.064 -0.407 1.00 73.50 C ATOM 814 C THR A 56 -8.359 6.303 0.096 1.00 21.33 C ATOM 815 O THR A 56 -7.872 7.009 0.981 1.00 33.03 O ATOM 816 CB THR A 56 -7.746 3.947 0.646 1.00 70.44 C ATOM 817 OG1 THR A 56 -7.342 4.438 1.929 1.00 13.44 O ATOM 818 CG2 THR A 56 -6.891 2.748 0.264 1.00 61.23 C ATOM 0 H THR A 56 -5.813 6.071 -0.101 1.00 31.13 H new ATOM 0 HA THR A 56 -8.084 4.726 -1.337 1.00 73.50 H new ATOM 0 HB THR A 56 -8.788 3.630 0.690 1.00 70.44 H new ATOM 0 HG1 THR A 56 -8.027 4.217 2.594 1.00 13.44 H new ATOM 0 HG21 THR A 56 -6.992 1.972 1.023 1.00 61.23 H new ATOM 0 HG22 THR A 56 -7.220 2.358 -0.699 1.00 61.23 H new ATOM 0 HG23 THR A 56 -5.847 3.053 0.194 1.00 61.23 H new ATOM 826 N LEU A 57 -9.533 6.562 -0.472 1.00 25.21 N ATOM 827 CA LEU A 57 -10.334 7.715 -0.080 1.00 72.32 C ATOM 828 C LEU A 57 -10.533 7.752 1.432 1.00 2.24 C ATOM 829 O LEU A 57 -10.649 8.823 2.027 1.00 43.15 O ATOM 830 CB LEU A 57 -11.691 7.681 -0.784 1.00 53.54 C ATOM 831 CG LEU A 57 -12.365 9.034 -1.010 1.00 73.32 C ATOM 832 CD1 LEU A 57 -11.833 9.691 -2.275 1.00 43.52 C ATOM 833 CD2 LEU A 57 -13.876 8.873 -1.087 1.00 54.33 C ATOM 0 H LEU A 57 -9.950 5.988 -1.205 1.00 25.21 H new ATOM 0 HA LEU A 57 -9.799 8.616 -0.379 1.00 72.32 H new ATOM 0 HB2 LEU A 57 -11.564 7.195 -1.751 1.00 53.54 H new ATOM 0 HB3 LEU A 57 -12.365 7.055 -0.199 1.00 53.54 H new ATOM 0 HG LEU A 57 -12.131 9.679 -0.163 1.00 73.32 H new ATOM 0 HD11 LEU A 57 -12.324 10.653 -2.420 1.00 43.52 H new ATOM 0 HD12 LEU A 57 -10.758 9.843 -2.181 1.00 43.52 H new ATOM 0 HD13 LEU A 57 -12.035 9.048 -3.132 1.00 43.52 H new ATOM 0 HD21 LEU A 57 -14.338 9.847 -1.248 1.00 54.33 H new ATOM 0 HD22 LEU A 57 -14.130 8.210 -1.914 1.00 54.33 H new ATOM 0 HD23 LEU A 57 -14.244 8.447 -0.154 1.00 54.33 H new ATOM 845 N ASP A 58 -10.570 6.575 2.047 1.00 12.23 N ATOM 846 CA ASP A 58 -10.751 6.472 3.490 1.00 53.33 C ATOM 847 C ASP A 58 -9.515 6.972 4.231 1.00 32.11 C ATOM 848 O ASP A 58 -9.623 7.594 5.287 1.00 14.31 O ATOM 849 CB ASP A 58 -11.047 5.025 3.886 1.00 40.41 C ATOM 850 CG ASP A 58 -10.831 4.774 5.366 1.00 51.30 C ATOM 851 OD1 ASP A 58 -11.189 5.655 6.176 1.00 24.21 O ATOM 852 OD2 ASP A 58 -10.306 3.696 5.714 1.00 61.22 O ATOM 0 H ASP A 58 -10.477 5.679 1.569 1.00 12.23 H new ATOM 0 HA ASP A 58 -11.598 7.098 3.770 1.00 53.33 H new ATOM 0 HB2 ASP A 58 -12.078 4.784 3.626 1.00 40.41 H new ATOM 0 HB3 ASP A 58 -10.408 4.356 3.310 1.00 40.41 H new ATOM 857 N GLN A 59 -8.343 6.696 3.669 1.00 61.12 N ATOM 858 CA GLN A 59 -7.087 7.118 4.277 1.00 3.45 C ATOM 859 C GLN A 59 -6.953 8.636 4.255 1.00 30.44 C ATOM 860 O GLN A 59 -6.544 9.249 5.241 1.00 42.54 O ATOM 861 CB GLN A 59 -5.903 6.478 3.549 1.00 62.40 C ATOM 862 CG GLN A 59 -5.518 5.113 4.094 1.00 42.31 C ATOM 863 CD GLN A 59 -4.357 4.491 3.345 1.00 25.31 C ATOM 864 OE1 GLN A 59 -3.278 4.290 3.903 1.00 62.13 O ATOM 865 NE2 GLN A 59 -4.571 4.181 2.071 1.00 32.03 N ATOM 0 H GLN A 59 -8.237 6.182 2.794 1.00 61.12 H new ATOM 0 HA GLN A 59 -7.087 6.788 5.316 1.00 3.45 H new ATOM 0 HB2 GLN A 59 -6.147 6.382 2.491 1.00 62.40 H new ATOM 0 HB3 GLN A 59 -5.042 7.143 3.618 1.00 62.40 H new ATOM 0 HG2 GLN A 59 -5.256 5.208 5.148 1.00 42.31 H new ATOM 0 HG3 GLN A 59 -6.380 4.448 4.038 1.00 42.31 H new ATOM 0 HE21 GLN A 59 -5.481 4.364 1.647 1.00 32.03 H new ATOM 0 HE22 GLN A 59 -3.826 3.760 1.517 1.00 32.03 H new ATOM 874 N LEU A 60 -7.300 9.239 3.123 1.00 40.11 N ATOM 875 CA LEU A 60 -7.219 10.687 2.972 1.00 30.43 C ATOM 876 C LEU A 60 -8.266 11.384 3.833 1.00 53.15 C ATOM 877 O LEU A 60 -8.052 12.502 4.305 1.00 15.22 O ATOM 878 CB LEU A 60 -7.407 11.077 1.504 1.00 34.40 C ATOM 879 CG LEU A 60 -6.178 10.925 0.606 1.00 14.43 C ATOM 880 CD1 LEU A 60 -5.025 11.762 1.134 1.00 63.31 C ATOM 881 CD2 LEU A 60 -5.774 9.462 0.501 1.00 1.44 C ATOM 0 H LEU A 60 -7.640 8.747 2.297 1.00 40.11 H new ATOM 0 HA LEU A 60 -6.231 11.008 3.304 1.00 30.43 H new ATOM 0 HB2 LEU A 60 -8.213 10.472 1.088 1.00 34.40 H new ATOM 0 HB3 LEU A 60 -7.735 12.116 1.464 1.00 34.40 H new ATOM 0 HG LEU A 60 -6.433 11.284 -0.391 1.00 14.43 H new ATOM 0 HD11 LEU A 60 -4.160 11.641 0.482 1.00 63.31 H new ATOM 0 HD12 LEU A 60 -5.318 12.812 1.157 1.00 63.31 H new ATOM 0 HD13 LEU A 60 -4.769 11.434 2.142 1.00 63.31 H new ATOM 0 HD21 LEU A 60 -4.898 9.372 -0.141 1.00 1.44 H new ATOM 0 HD22 LEU A 60 -5.537 9.078 1.493 1.00 1.44 H new ATOM 0 HD23 LEU A 60 -6.597 8.887 0.076 1.00 1.44 H new ATOM 893 N ARG A 61 -9.398 10.718 4.036 1.00 2.23 N ATOM 894 CA ARG A 61 -10.478 11.274 4.842 1.00 12.14 C ATOM 895 C ARG A 61 -10.124 11.237 6.325 1.00 1.33 C ATOM 896 O ARG A 61 -10.523 12.114 7.093 1.00 34.31 O ATOM 897 CB ARG A 61 -11.775 10.499 4.597 1.00 72.32 C ATOM 898 CG ARG A 61 -12.945 10.991 5.435 1.00 61.10 C ATOM 899 CD ARG A 61 -13.516 9.878 6.301 1.00 63.40 C ATOM 900 NE ARG A 61 -13.959 8.738 5.504 1.00 72.01 N ATOM 901 CZ ARG A 61 -15.040 8.756 4.733 1.00 11.45 C ATOM 902 NH1 ARG A 61 -15.785 9.850 4.655 1.00 64.43 N ATOM 903 NH2 ARG A 61 -15.379 7.677 4.038 1.00 75.51 N ATOM 0 H ARG A 61 -9.591 9.792 3.653 1.00 2.23 H new ATOM 0 HA ARG A 61 -10.621 12.313 4.546 1.00 12.14 H new ATOM 0 HB2 ARG A 61 -12.038 10.572 3.542 1.00 72.32 H new ATOM 0 HB3 ARG A 61 -11.604 9.444 4.811 1.00 72.32 H new ATOM 0 HG2 ARG A 61 -12.619 11.816 6.069 1.00 61.10 H new ATOM 0 HG3 ARG A 61 -13.725 11.381 4.780 1.00 61.10 H new ATOM 0 HD2 ARG A 61 -12.760 9.550 7.015 1.00 63.40 H new ATOM 0 HD3 ARG A 61 -14.355 10.263 6.880 1.00 63.40 H new ATOM 0 HE ARG A 61 -13.408 7.881 5.541 1.00 72.01 H new ATOM 0 HH11 ARG A 61 -15.528 10.681 5.188 1.00 64.43 H new ATOM 0 HH12 ARG A 61 -16.615 9.861 4.062 1.00 64.43 H new ATOM 0 HH21 ARG A 61 -14.809 6.833 4.096 1.00 75.51 H new ATOM 0 HH22 ARG A 61 -16.210 7.692 3.446 1.00 75.51 H new ATOM 917 N LEU A 62 -9.373 10.216 6.724 1.00 63.44 N ATOM 918 CA LEU A 62 -8.964 10.064 8.116 1.00 64.14 C ATOM 919 C LEU A 62 -7.907 11.099 8.489 1.00 52.43 C ATOM 920 O LEU A 62 -7.961 11.697 9.564 1.00 53.21 O ATOM 921 CB LEU A 62 -8.420 8.655 8.358 1.00 15.10 C ATOM 922 CG LEU A 62 -8.862 7.979 9.657 1.00 60.33 C ATOM 923 CD1 LEU A 62 -8.420 8.799 10.861 1.00 34.44 C ATOM 924 CD2 LEU A 62 -10.370 7.780 9.669 1.00 34.11 C ATOM 0 H LEU A 62 -9.035 9.481 6.103 1.00 63.44 H new ATOM 0 HA LEU A 62 -9.840 10.222 8.745 1.00 64.14 H new ATOM 0 HB2 LEU A 62 -8.720 8.023 7.522 1.00 15.10 H new ATOM 0 HB3 LEU A 62 -7.331 8.701 8.348 1.00 15.10 H new ATOM 0 HG LEU A 62 -8.387 7.000 9.715 1.00 60.33 H new ATOM 0 HD11 LEU A 62 -8.743 8.304 11.777 1.00 34.44 H new ATOM 0 HD12 LEU A 62 -7.334 8.889 10.861 1.00 34.44 H new ATOM 0 HD13 LEU A 62 -8.867 9.792 10.809 1.00 34.44 H new ATOM 0 HD21 LEU A 62 -10.666 7.298 10.601 1.00 34.11 H new ATOM 0 HD22 LEU A 62 -10.865 8.748 9.588 1.00 34.11 H new ATOM 0 HD23 LEU A 62 -10.661 7.152 8.827 1.00 34.11 H new ATOM 936 N VAL A 63 -6.948 11.309 7.594 1.00 2.22 N ATOM 937 CA VAL A 63 -5.881 12.274 7.828 1.00 24.15 C ATOM 938 C VAL A 63 -6.432 13.692 7.911 1.00 54.14 C ATOM 939 O VAL A 63 -6.115 14.439 8.839 1.00 62.40 O ATOM 940 CB VAL A 63 -4.816 12.213 6.716 1.00 61.42 C ATOM 941 CG1 VAL A 63 -3.678 13.178 7.013 1.00 54.35 C ATOM 942 CG2 VAL A 63 -4.294 10.794 6.556 1.00 0.23 C ATOM 0 H VAL A 63 -6.888 10.823 6.699 1.00 2.22 H new ATOM 0 HA VAL A 63 -5.418 12.011 8.779 1.00 24.15 H new ATOM 0 HB VAL A 63 -5.279 12.513 5.776 1.00 61.42 H new ATOM 0 HG11 VAL A 63 -2.936 13.121 6.217 1.00 54.35 H new ATOM 0 HG12 VAL A 63 -4.069 14.194 7.073 1.00 54.35 H new ATOM 0 HG13 VAL A 63 -3.213 12.911 7.962 1.00 54.35 H new ATOM 0 HG21 VAL A 63 -3.543 10.769 5.767 1.00 0.23 H new ATOM 0 HG22 VAL A 63 -3.846 10.463 7.493 1.00 0.23 H new ATOM 0 HG23 VAL A 63 -5.118 10.131 6.293 1.00 0.23 H new ATOM 952 N ILE A 64 -7.259 14.059 6.938 1.00 54.20 N ATOM 953 CA ILE A 64 -7.856 15.388 6.903 1.00 52.24 C ATOM 954 C ILE A 64 -8.782 15.606 8.095 1.00 54.53 C ATOM 955 O ILE A 64 -8.904 16.722 8.603 1.00 13.33 O ATOM 956 CB ILE A 64 -8.650 15.615 5.604 1.00 24.55 C ATOM 957 CG1 ILE A 64 -9.247 17.023 5.584 1.00 60.41 C ATOM 958 CG2 ILE A 64 -9.745 14.567 5.462 1.00 20.41 C ATOM 959 CD1 ILE A 64 -9.976 17.352 4.300 1.00 32.12 C ATOM 0 H ILE A 64 -7.531 13.454 6.163 1.00 54.20 H new ATOM 0 HA ILE A 64 -7.035 16.103 6.947 1.00 52.24 H new ATOM 0 HB ILE A 64 -7.969 15.518 4.758 1.00 24.55 H new ATOM 0 HG12 ILE A 64 -9.937 17.128 6.421 1.00 60.41 H new ATOM 0 HG13 ILE A 64 -8.449 17.750 5.736 1.00 60.41 H new ATOM 0 HG21 ILE A 64 -10.298 14.741 4.539 1.00 20.41 H new ATOM 0 HG22 ILE A 64 -9.297 13.574 5.435 1.00 20.41 H new ATOM 0 HG23 ILE A 64 -10.426 14.635 6.311 1.00 20.41 H new ATOM 0 HD11 ILE A 64 -10.373 18.366 4.356 1.00 32.12 H new ATOM 0 HD12 ILE A 64 -9.285 17.279 3.460 1.00 32.12 H new ATOM 0 HD13 ILE A 64 -10.796 16.648 4.157 1.00 32.12 H new ATOM 971 N CYS A 65 -9.430 14.535 8.538 1.00 51.20 N ATOM 972 CA CYS A 65 -10.345 14.608 9.672 1.00 64.13 C ATOM 973 C CYS A 65 -9.610 15.043 10.936 1.00 43.10 C ATOM 974 O CYS A 65 -9.996 16.013 11.588 1.00 45.01 O ATOM 975 CB CYS A 65 -11.019 13.255 9.900 1.00 5.14 C ATOM 976 SG CYS A 65 -12.675 13.125 9.185 1.00 4.32 S ATOM 0 H CYS A 65 -9.339 13.605 8.129 1.00 51.20 H new ATOM 0 HA CYS A 65 -11.109 15.351 9.443 1.00 64.13 H new ATOM 0 HB2 CYS A 65 -10.390 12.472 9.477 1.00 5.14 H new ATOM 0 HB3 CYS A 65 -11.082 13.069 10.972 1.00 5.14 H new ATOM 0 HG CYS A 65 -13.161 11.944 9.428 1.00 4.32 H new ATOM 982 N ASP A 66 -8.549 14.318 11.276 1.00 42.04 N ATOM 983 CA ASP A 66 -7.760 14.629 12.462 1.00 43.20 C ATOM 984 C ASP A 66 -6.935 15.895 12.251 1.00 1.43 C ATOM 985 O ASP A 66 -6.774 16.704 13.166 1.00 32.32 O ATOM 986 CB ASP A 66 -6.840 13.457 12.809 1.00 64.14 C ATOM 987 CG ASP A 66 -7.546 12.385 13.614 1.00 2.40 C ATOM 988 OD1 ASP A 66 -8.476 11.752 13.073 1.00 55.04 O ATOM 989 OD2 ASP A 66 -7.166 12.177 14.786 1.00 35.15 O ATOM 0 H ASP A 66 -8.216 13.512 10.747 1.00 42.04 H new ATOM 0 HA ASP A 66 -8.447 14.800 13.291 1.00 43.20 H new ATOM 0 HB2 ASP A 66 -6.451 13.020 11.889 1.00 64.14 H new ATOM 0 HB3 ASP A 66 -5.984 13.826 13.373 1.00 64.14 H new ATOM 994 N LEU A 67 -6.414 16.060 11.041 1.00 33.44 N ATOM 995 CA LEU A 67 -5.605 17.227 10.708 1.00 1.44 C ATOM 996 C LEU A 67 -6.435 18.504 10.782 1.00 64.21 C ATOM 997 O LEU A 67 -5.935 19.559 11.171 1.00 62.32 O ATOM 998 CB LEU A 67 -5.005 17.075 9.309 1.00 32.31 C ATOM 999 CG LEU A 67 -3.930 18.093 8.926 1.00 24.14 C ATOM 1000 CD1 LEU A 67 -2.776 18.049 9.915 1.00 51.05 C ATOM 1001 CD2 LEU A 67 -3.431 17.834 7.511 1.00 14.24 C ATOM 0 H LEU A 67 -6.537 15.400 10.273 1.00 33.44 H new ATOM 0 HA LEU A 67 -4.797 17.298 11.437 1.00 1.44 H new ATOM 0 HB2 LEU A 67 -4.577 16.076 9.225 1.00 32.31 H new ATOM 0 HB3 LEU A 67 -5.813 17.138 8.580 1.00 32.31 H new ATOM 0 HG LEU A 67 -4.372 19.089 8.959 1.00 24.14 H new ATOM 0 HD11 LEU A 67 -2.021 18.780 9.626 1.00 51.05 H new ATOM 0 HD12 LEU A 67 -3.144 18.283 10.914 1.00 51.05 H new ATOM 0 HD13 LEU A 67 -2.335 17.052 9.915 1.00 51.05 H new ATOM 0 HD21 LEU A 67 -2.667 18.568 7.255 1.00 14.24 H new ATOM 0 HD22 LEU A 67 -3.006 16.832 7.453 1.00 14.24 H new ATOM 0 HD23 LEU A 67 -4.262 17.917 6.811 1.00 14.24 H new ATOM 1013 N GLN A 68 -7.706 18.400 10.408 1.00 31.54 N ATOM 1014 CA GLN A 68 -8.605 19.547 10.433 1.00 14.43 C ATOM 1015 C GLN A 68 -8.964 19.927 11.866 1.00 22.23 C ATOM 1016 O GLN A 68 -8.909 21.097 12.239 1.00 71.13 O ATOM 1017 CB GLN A 68 -9.878 19.241 9.641 1.00 2.10 C ATOM 1018 CG GLN A 68 -10.946 20.316 9.766 1.00 31.42 C ATOM 1019 CD GLN A 68 -10.400 21.710 9.524 1.00 35.32 C ATOM 1020 OE1 GLN A 68 -9.451 21.895 8.762 1.00 3.35 O ATOM 1021 NE2 GLN A 68 -11.002 22.702 10.171 1.00 43.01 N ATOM 0 H GLN A 68 -8.136 17.534 10.084 1.00 31.54 H new ATOM 0 HA GLN A 68 -8.091 20.390 9.971 1.00 14.43 H new ATOM 0 HB2 GLN A 68 -9.620 19.117 8.589 1.00 2.10 H new ATOM 0 HB3 GLN A 68 -10.289 18.291 9.983 1.00 2.10 H new ATOM 0 HG2 GLN A 68 -11.745 20.114 9.053 1.00 31.42 H new ATOM 0 HG3 GLN A 68 -11.388 20.270 10.761 1.00 31.42 H new ATOM 0 HE21 GLN A 68 -11.785 22.504 10.793 1.00 43.01 H new ATOM 0 HE22 GLN A 68 -10.681 23.662 10.045 1.00 43.01 H new ATOM 1030 N GLU A 69 -9.331 18.927 12.664 1.00 63.55 N ATOM 1031 CA GLU A 69 -9.699 19.158 14.055 1.00 45.04 C ATOM 1032 C GLU A 69 -8.539 19.777 14.830 1.00 5.12 C ATOM 1033 O GLU A 69 -8.721 20.730 15.588 1.00 33.54 O ATOM 1034 CB GLU A 69 -10.127 17.847 14.718 1.00 21.35 C ATOM 1035 CG GLU A 69 -11.328 17.992 15.636 1.00 21.44 C ATOM 1036 CD GLU A 69 -10.939 18.369 17.051 1.00 41.23 C ATOM 1037 OE1 GLU A 69 -10.498 17.475 17.803 1.00 1.53 O ATOM 1038 OE2 GLU A 69 -11.074 19.558 17.408 1.00 51.40 O ATOM 0 H GLU A 69 -9.381 17.951 12.370 1.00 63.55 H new ATOM 0 HA GLU A 69 -10.537 19.855 14.070 1.00 45.04 H new ATOM 0 HB2 GLU A 69 -10.359 17.117 13.943 1.00 21.35 H new ATOM 0 HB3 GLU A 69 -9.289 17.449 15.290 1.00 21.35 H new ATOM 0 HG2 GLU A 69 -11.999 18.751 15.233 1.00 21.44 H new ATOM 0 HG3 GLU A 69 -11.882 17.054 15.654 1.00 21.44 H new ATOM 1045 N ARG A 70 -7.345 19.227 14.633 1.00 44.42 N ATOM 1046 CA ARG A 70 -6.154 19.722 15.314 1.00 41.14 C ATOM 1047 C ARG A 70 -5.834 21.150 14.879 1.00 41.12 C ATOM 1048 O ARG A 70 -5.775 22.062 15.704 1.00 74.12 O ATOM 1049 CB ARG A 70 -4.960 18.811 15.027 1.00 44.41 C ATOM 1050 CG ARG A 70 -5.117 17.406 15.588 1.00 72.40 C ATOM 1051 CD ARG A 70 -4.191 16.422 14.892 1.00 64.10 C ATOM 1052 NE ARG A 70 -4.384 15.056 15.372 1.00 22.43 N ATOM 1053 CZ ARG A 70 -3.477 14.095 15.236 1.00 54.43 C ATOM 1054 NH1 ARG A 70 -2.321 14.349 14.641 1.00 21.32 N ATOM 1055 NH2 ARG A 70 -3.726 12.876 15.700 1.00 33.42 N ATOM 0 H ARG A 70 -7.177 18.439 14.008 1.00 44.42 H new ATOM 0 HA ARG A 70 -6.352 19.722 16.386 1.00 41.14 H new ATOM 0 HB2 ARG A 70 -4.813 18.748 13.949 1.00 44.41 H new ATOM 0 HB3 ARG A 70 -4.061 19.262 15.446 1.00 44.41 H new ATOM 0 HG2 ARG A 70 -4.904 17.414 16.657 1.00 72.40 H new ATOM 0 HG3 ARG A 70 -6.150 17.080 15.471 1.00 72.40 H new ATOM 0 HD2 ARG A 70 -4.367 16.457 13.817 1.00 64.10 H new ATOM 0 HD3 ARG A 70 -3.156 16.721 15.055 1.00 64.10 H new ATOM 0 HE ARG A 70 -5.263 14.828 15.837 1.00 22.43 H new ATOM 0 HH11 ARG A 70 -2.125 15.285 14.286 1.00 21.32 H new ATOM 0 HH12 ARG A 70 -1.627 13.609 14.538 1.00 21.32 H new ATOM 0 HH21 ARG A 70 -4.614 12.677 16.161 1.00 33.42 H new ATOM 0 HH22 ARG A 70 -3.029 12.138 15.595 1.00 33.42 H new ATOM 1069 N ARG A 71 -5.626 21.335 13.580 1.00 53.40 N ATOM 1070 CA ARG A 71 -5.310 22.651 13.036 1.00 0.15 C ATOM 1071 C ARG A 71 -6.390 23.664 13.402 1.00 52.52 C ATOM 1072 O ARG A 71 -6.100 24.837 13.633 1.00 54.20 O ATOM 1073 CB ARG A 71 -5.161 22.574 11.515 1.00 52.14 C ATOM 1074 CG ARG A 71 -4.628 23.854 10.891 1.00 13.52 C ATOM 1075 CD ARG A 71 -3.299 24.262 11.506 1.00 23.32 C ATOM 1076 NE ARG A 71 -3.429 25.436 12.364 1.00 12.04 N ATOM 1077 CZ ARG A 71 -2.407 26.001 12.997 1.00 41.20 C ATOM 1078 NH1 ARG A 71 -1.186 25.501 12.869 1.00 70.14 N ATOM 1079 NH2 ARG A 71 -2.606 27.068 13.760 1.00 45.44 N ATOM 0 H ARG A 71 -5.670 20.591 12.884 1.00 53.40 H new ATOM 0 HA ARG A 71 -4.366 22.980 13.471 1.00 0.15 H new ATOM 0 HB2 ARG A 71 -4.491 21.751 11.265 1.00 52.14 H new ATOM 0 HB3 ARG A 71 -6.130 22.341 11.074 1.00 52.14 H new ATOM 0 HG2 ARG A 71 -4.505 23.713 9.817 1.00 13.52 H new ATOM 0 HG3 ARG A 71 -5.354 24.656 11.026 1.00 13.52 H new ATOM 0 HD2 ARG A 71 -2.899 23.431 12.087 1.00 23.32 H new ATOM 0 HD3 ARG A 71 -2.582 24.471 10.712 1.00 23.32 H new ATOM 0 HE ARG A 71 -4.356 25.845 12.484 1.00 12.04 H new ATOM 0 HH11 ARG A 71 -1.030 24.681 12.283 1.00 70.14 H new ATOM 0 HH12 ARG A 71 -0.403 25.937 13.356 1.00 70.14 H new ATOM 0 HH21 ARG A 71 -3.544 27.455 13.861 1.00 45.44 H new ATOM 0 HH22 ARG A 71 -1.821 27.501 14.246 1.00 45.44 H new ATOM 1093 N GLU A 72 -7.636 23.202 13.452 1.00 12.50 N ATOM 1094 CA GLU A 72 -8.759 24.069 13.789 1.00 41.25 C ATOM 1095 C GLU A 72 -8.569 24.695 15.169 1.00 24.33 C ATOM 1096 O GLU A 72 -8.601 25.916 15.318 1.00 62.14 O ATOM 1097 CB GLU A 72 -10.069 23.281 13.752 1.00 32.24 C ATOM 1098 CG GLU A 72 -11.278 24.088 14.194 1.00 75.44 C ATOM 1099 CD GLU A 72 -11.561 23.951 15.678 1.00 24.24 C ATOM 1100 OE1 GLU A 72 -11.429 22.826 16.204 1.00 24.23 O ATOM 1101 OE2 GLU A 72 -11.913 24.968 16.312 1.00 1.53 O ATOM 0 H GLU A 72 -7.893 22.233 13.264 1.00 12.50 H new ATOM 0 HA GLU A 72 -8.802 24.868 13.049 1.00 41.25 H new ATOM 0 HB2 GLU A 72 -10.236 22.918 12.738 1.00 32.24 H new ATOM 0 HB3 GLU A 72 -9.974 22.404 14.393 1.00 32.24 H new ATOM 0 HG2 GLU A 72 -11.116 25.139 13.954 1.00 75.44 H new ATOM 0 HG3 GLU A 72 -12.152 23.764 13.630 1.00 75.44 H new ATOM 1108 N LYS A 73 -8.371 23.849 16.173 1.00 3.43 N ATOM 1109 CA LYS A 73 -8.174 24.315 17.540 1.00 41.10 C ATOM 1110 C LYS A 73 -6.875 25.104 17.664 1.00 41.05 C ATOM 1111 O LYS A 73 -6.705 25.899 18.589 1.00 14.11 O ATOM 1112 CB LYS A 73 -8.159 23.130 18.509 1.00 64.42 C ATOM 1113 CG LYS A 73 -9.424 23.010 19.342 1.00 24.32 C ATOM 1114 CD LYS A 73 -9.325 23.817 20.625 1.00 11.44 C ATOM 1115 CE LYS A 73 -10.377 23.386 21.636 1.00 43.43 C ATOM 1116 NZ LYS A 73 -11.297 24.502 21.989 1.00 10.21 N ATOM 0 H LYS A 73 -8.343 22.835 16.066 1.00 3.43 H new ATOM 0 HA LYS A 73 -9.004 24.974 17.795 1.00 41.10 H new ATOM 0 HB2 LYS A 73 -8.018 22.210 17.942 1.00 64.42 H new ATOM 0 HB3 LYS A 73 -7.302 23.228 19.176 1.00 64.42 H new ATOM 0 HG2 LYS A 73 -10.278 23.354 18.759 1.00 24.32 H new ATOM 0 HG3 LYS A 73 -9.604 21.962 19.583 1.00 24.32 H new ATOM 0 HD2 LYS A 73 -8.332 23.695 21.057 1.00 11.44 H new ATOM 0 HD3 LYS A 73 -9.447 24.877 20.400 1.00 11.44 H new ATOM 0 HE2 LYS A 73 -10.953 22.555 21.229 1.00 43.43 H new ATOM 0 HE3 LYS A 73 -9.886 23.021 22.538 1.00 43.43 H new ATOM 0 HZ1 LYS A 73 -11.999 24.168 22.680 1.00 10.21 H new ATOM 0 HZ2 LYS A 73 -10.751 25.285 22.401 1.00 10.21 H new ATOM 0 HZ3 LYS A 73 -11.785 24.834 21.133 1.00 10.21 H new ATOM 1130 N PHE A 74 -5.960 24.880 16.727 1.00 23.01 N ATOM 1131 CA PHE A 74 -4.675 25.570 16.731 1.00 53.14 C ATOM 1132 C PHE A 74 -4.784 26.926 16.039 1.00 44.03 C ATOM 1133 O PHE A 74 -3.964 27.816 16.260 1.00 51.11 O ATOM 1134 CB PHE A 74 -3.611 24.716 16.040 1.00 61.02 C ATOM 1135 CG PHE A 74 -2.875 23.802 16.978 1.00 11.22 C ATOM 1136 CD1 PHE A 74 -1.500 23.897 17.121 1.00 14.52 C ATOM 1137 CD2 PHE A 74 -3.558 22.847 17.715 1.00 24.30 C ATOM 1138 CE1 PHE A 74 -0.820 23.057 17.983 1.00 52.22 C ATOM 1139 CE2 PHE A 74 -2.883 22.005 18.578 1.00 74.53 C ATOM 1140 CZ PHE A 74 -1.512 22.110 18.712 1.00 2.52 C ATOM 0 H PHE A 74 -6.084 24.226 15.955 1.00 23.01 H new ATOM 0 HA PHE A 74 -4.382 25.733 17.768 1.00 53.14 H new ATOM 0 HB2 PHE A 74 -4.085 24.119 15.261 1.00 61.02 H new ATOM 0 HB3 PHE A 74 -2.894 25.372 15.547 1.00 61.02 H new ATOM 0 HD1 PHE A 74 -0.954 24.635 16.553 1.00 14.52 H new ATOM 0 HD2 PHE A 74 -4.630 22.760 17.614 1.00 24.30 H new ATOM 0 HE1 PHE A 74 0.252 23.141 18.086 1.00 52.22 H new ATOM 0 HE2 PHE A 74 -3.427 21.266 19.147 1.00 74.53 H new ATOM 0 HZ PHE A 74 -0.982 21.453 19.386 1.00 2.52 H new ATOM 1150 N GLY A 75 -5.803 27.074 15.198 1.00 62.02 N ATOM 1151 CA GLY A 75 -6.000 28.323 14.485 1.00 12.21 C ATOM 1152 C GLY A 75 -5.693 28.201 13.005 1.00 40.24 C ATOM 1153 O GLY A 75 -5.607 27.095 12.471 1.00 55.04 O ATOM 0 H GLY A 75 -6.495 26.352 14.998 1.00 62.02 H new ATOM 0 HA2 GLY A 75 -7.031 28.652 14.613 1.00 12.21 H new ATOM 0 HA3 GLY A 75 -5.363 29.092 14.923 1.00 12.21 H new ATOM 1157 N SER A 76 -5.526 29.340 12.341 1.00 73.31 N ATOM 1158 CA SER A 76 -5.232 29.356 10.913 1.00 12.02 C ATOM 1159 C SER A 76 -3.784 28.950 10.653 1.00 74.21 C ATOM 1160 O SER A 76 -2.941 29.007 11.548 1.00 30.30 O ATOM 1161 CB SER A 76 -5.496 30.747 10.332 1.00 12.41 C ATOM 1162 OG SER A 76 -4.487 31.662 10.721 1.00 44.52 O ATOM 0 H SER A 76 -5.589 30.264 12.769 1.00 73.31 H new ATOM 0 HA SER A 76 -5.887 28.636 10.423 1.00 12.02 H new ATOM 0 HB2 SER A 76 -5.538 30.688 9.244 1.00 12.41 H new ATOM 0 HB3 SER A 76 -6.468 31.107 10.670 1.00 12.41 H new ATOM 0 HG SER A 76 -4.678 32.543 10.336 1.00 44.52 H new ATOM 1168 N SER A 77 -3.504 28.541 9.420 1.00 12.45 N ATOM 1169 CA SER A 77 -2.160 28.121 9.041 1.00 23.35 C ATOM 1170 C SER A 77 -2.112 27.711 7.572 1.00 14.41 C ATOM 1171 O SER A 77 -2.612 26.650 7.194 1.00 62.54 O ATOM 1172 CB SER A 77 -1.699 26.957 9.920 1.00 50.44 C ATOM 1173 OG SER A 77 -0.912 26.039 9.183 1.00 34.44 O ATOM 0 H SER A 77 -4.190 28.491 8.666 1.00 12.45 H new ATOM 0 HA SER A 77 -1.488 28.967 9.187 1.00 23.35 H new ATOM 0 HB2 SER A 77 -1.123 27.340 10.762 1.00 50.44 H new ATOM 0 HB3 SER A 77 -2.567 26.445 10.335 1.00 50.44 H new ATOM 0 HG SER A 77 -0.630 25.306 9.769 1.00 34.44 H new ATOM 1179 N LYS A 78 -1.509 28.560 6.747 1.00 71.15 N ATOM 1180 CA LYS A 78 -1.394 28.289 5.319 1.00 62.14 C ATOM 1181 C LYS A 78 -0.614 27.002 5.071 1.00 33.21 C ATOM 1182 O LYS A 78 -0.713 26.404 4.000 1.00 11.25 O ATOM 1183 CB LYS A 78 -0.707 29.459 4.611 1.00 30.00 C ATOM 1184 CG LYS A 78 0.667 29.787 5.171 1.00 55.32 C ATOM 1185 CD LYS A 78 1.677 30.030 4.062 1.00 42.41 C ATOM 1186 CE LYS A 78 1.693 31.488 3.632 1.00 52.13 C ATOM 1187 NZ LYS A 78 2.704 32.279 4.388 1.00 50.32 N ATOM 0 H LYS A 78 -1.092 29.442 7.043 1.00 71.15 H new ATOM 0 HA LYS A 78 -2.399 28.167 4.915 1.00 62.14 H new ATOM 0 HB2 LYS A 78 -0.612 29.226 3.551 1.00 30.00 H new ATOM 0 HB3 LYS A 78 -1.341 30.342 4.687 1.00 30.00 H new ATOM 0 HG2 LYS A 78 0.601 30.671 5.805 1.00 55.32 H new ATOM 0 HG3 LYS A 78 1.009 28.967 5.803 1.00 55.32 H new ATOM 0 HD2 LYS A 78 2.671 29.739 4.403 1.00 42.41 H new ATOM 0 HD3 LYS A 78 1.437 29.400 3.206 1.00 42.41 H new ATOM 0 HE2 LYS A 78 1.908 31.550 2.565 1.00 52.13 H new ATOM 0 HE3 LYS A 78 0.705 31.922 3.784 1.00 52.13 H new ATOM 0 HZ1 LYS A 78 2.683 33.267 4.065 1.00 50.32 H new ATOM 0 HZ2 LYS A 78 2.485 32.242 5.404 1.00 50.32 H new ATOM 0 HZ3 LYS A 78 3.650 31.881 4.223 1.00 50.32 H new ATOM 1201 N GLU A 79 0.159 26.583 6.067 1.00 41.31 N ATOM 1202 CA GLU A 79 0.955 25.366 5.955 1.00 1.24 C ATOM 1203 C GLU A 79 0.057 24.133 5.891 1.00 2.25 C ATOM 1204 O GLU A 79 0.012 23.438 4.875 1.00 51.44 O ATOM 1205 CB GLU A 79 1.917 25.248 7.139 1.00 21.25 C ATOM 1206 CG GLU A 79 3.101 26.197 7.058 1.00 21.15 C ATOM 1207 CD GLU A 79 4.222 25.657 6.191 1.00 43.20 C ATOM 1208 OE1 GLU A 79 4.668 24.517 6.441 1.00 13.42 O ATOM 1209 OE2 GLU A 79 4.655 26.373 5.264 1.00 62.02 O ATOM 0 H GLU A 79 0.251 27.067 6.960 1.00 41.31 H new ATOM 0 HA GLU A 79 1.532 25.423 5.032 1.00 1.24 H new ATOM 0 HB2 GLU A 79 1.370 25.441 8.062 1.00 21.25 H new ATOM 0 HB3 GLU A 79 2.286 24.224 7.196 1.00 21.25 H new ATOM 0 HG2 GLU A 79 2.768 27.155 6.659 1.00 21.15 H new ATOM 0 HG3 GLU A 79 3.481 26.384 8.062 1.00 21.15 H new ATOM 1216 N ILE A 80 -0.653 23.868 6.982 1.00 75.43 N ATOM 1217 CA ILE A 80 -1.550 22.721 7.050 1.00 63.31 C ATOM 1218 C ILE A 80 -2.765 22.918 6.150 1.00 22.21 C ATOM 1219 O ILE A 80 -3.251 21.972 5.529 1.00 65.43 O ATOM 1220 CB ILE A 80 -2.029 22.465 8.491 1.00 2.13 C ATOM 1221 CG1 ILE A 80 -0.834 22.189 9.407 1.00 2.14 C ATOM 1222 CG2 ILE A 80 -3.009 21.302 8.524 1.00 44.51 C ATOM 1223 CD1 ILE A 80 -1.223 21.932 10.846 1.00 23.22 C ATOM 0 H ILE A 80 -0.625 24.432 7.831 1.00 75.43 H new ATOM 0 HA ILE A 80 -0.982 21.857 6.706 1.00 63.31 H new ATOM 0 HB ILE A 80 -2.541 23.357 8.852 1.00 2.13 H new ATOM 0 HG12 ILE A 80 -0.287 21.326 9.027 1.00 2.14 H new ATOM 0 HG13 ILE A 80 -0.153 23.040 9.369 1.00 2.14 H new ATOM 0 HG21 ILE A 80 -3.339 21.133 9.549 1.00 44.51 H new ATOM 0 HG22 ILE A 80 -3.871 21.535 7.899 1.00 44.51 H new ATOM 0 HG23 ILE A 80 -2.520 20.404 8.147 1.00 44.51 H new ATOM 0 HD11 ILE A 80 -0.327 21.744 11.437 1.00 23.22 H new ATOM 0 HD12 ILE A 80 -1.744 22.803 11.243 1.00 23.22 H new ATOM 0 HD13 ILE A 80 -1.879 21.063 10.896 1.00 23.22 H new ATOM 1235 N ASP A 81 -3.250 24.154 6.082 1.00 4.33 N ATOM 1236 CA ASP A 81 -4.407 24.476 5.256 1.00 62.03 C ATOM 1237 C ASP A 81 -4.173 24.060 3.807 1.00 44.41 C ATOM 1238 O ASP A 81 -5.025 23.422 3.189 1.00 35.32 O ATOM 1239 CB ASP A 81 -4.709 25.974 5.327 1.00 22.54 C ATOM 1240 CG ASP A 81 -5.356 26.373 6.637 1.00 54.31 C ATOM 1241 OD1 ASP A 81 -5.047 25.741 7.669 1.00 24.10 O ATOM 1242 OD2 ASP A 81 -6.172 27.318 6.633 1.00 35.35 O ATOM 0 H ASP A 81 -2.859 24.948 6.589 1.00 4.33 H new ATOM 0 HA ASP A 81 -5.263 23.922 5.640 1.00 62.03 H new ATOM 0 HB2 ASP A 81 -3.783 26.535 5.197 1.00 22.54 H new ATOM 0 HB3 ASP A 81 -5.367 26.248 4.502 1.00 22.54 H new ATOM 1247 N MET A 82 -3.013 24.425 3.271 1.00 52.43 N ATOM 1248 CA MET A 82 -2.667 24.089 1.895 1.00 2.11 C ATOM 1249 C MET A 82 -2.513 22.580 1.726 1.00 72.22 C ATOM 1250 O MET A 82 -3.088 21.987 0.815 1.00 13.10 O ATOM 1251 CB MET A 82 -1.374 24.795 1.484 1.00 5.34 C ATOM 1252 CG MET A 82 -1.557 26.273 1.182 1.00 32.53 C ATOM 1253 SD MET A 82 -1.429 26.642 -0.579 1.00 64.33 S ATOM 1254 CE MET A 82 -2.593 25.462 -1.258 1.00 60.01 C ATOM 0 H MET A 82 -2.297 24.954 3.769 1.00 52.43 H new ATOM 0 HA MET A 82 -3.478 24.428 1.250 1.00 2.11 H new ATOM 0 HB2 MET A 82 -0.640 24.684 2.282 1.00 5.34 H new ATOM 0 HB3 MET A 82 -0.964 24.301 0.603 1.00 5.34 H new ATOM 0 HG2 MET A 82 -2.532 26.597 1.547 1.00 32.53 H new ATOM 0 HG3 MET A 82 -0.806 26.847 1.725 1.00 32.53 H new ATOM 0 HE1 MET A 82 -2.774 25.692 -2.308 1.00 60.01 H new ATOM 0 HE2 MET A 82 -2.182 24.456 -1.173 1.00 60.01 H new ATOM 0 HE3 MET A 82 -3.532 25.519 -0.707 1.00 60.01 H new ATOM 1264 N ALA A 83 -1.732 21.968 2.610 1.00 0.14 N ATOM 1265 CA ALA A 83 -1.504 20.529 2.559 1.00 2.52 C ATOM 1266 C ALA A 83 -2.823 19.765 2.513 1.00 32.10 C ATOM 1267 O ALA A 83 -2.954 18.776 1.791 1.00 64.32 O ATOM 1268 CB ALA A 83 -0.675 20.084 3.754 1.00 13.41 C ATOM 0 H ALA A 83 -1.247 22.446 3.369 1.00 0.14 H new ATOM 0 HA ALA A 83 -0.953 20.305 1.645 1.00 2.52 H new ATOM 0 HB1 ALA A 83 -0.512 19.007 3.703 1.00 13.41 H new ATOM 0 HB2 ALA A 83 0.286 20.597 3.741 1.00 13.41 H new ATOM 0 HB3 ALA A 83 -1.204 20.328 4.675 1.00 13.41 H new ATOM 1274 N ILE A 84 -3.797 20.229 3.288 1.00 71.12 N ATOM 1275 CA ILE A 84 -5.106 19.590 3.335 1.00 32.13 C ATOM 1276 C ILE A 84 -5.804 19.668 1.981 1.00 52.22 C ATOM 1277 O ILE A 84 -6.216 18.650 1.423 1.00 64.22 O ATOM 1278 CB ILE A 84 -6.009 20.233 4.404 1.00 21.04 C ATOM 1279 CG1 ILE A 84 -5.426 20.005 5.799 1.00 43.41 C ATOM 1280 CG2 ILE A 84 -7.420 19.668 4.314 1.00 43.32 C ATOM 1281 CD1 ILE A 84 -5.794 21.085 6.792 1.00 71.42 C ATOM 0 H ILE A 84 -3.704 21.046 3.892 1.00 71.12 H new ATOM 0 HA ILE A 84 -4.938 18.545 3.595 1.00 32.13 H new ATOM 0 HB ILE A 84 -6.056 21.307 4.222 1.00 21.04 H new ATOM 0 HG12 ILE A 84 -5.773 19.043 6.176 1.00 43.41 H new ATOM 0 HG13 ILE A 84 -4.340 19.946 5.725 1.00 43.41 H new ATOM 0 HG21 ILE A 84 -8.047 20.132 5.076 1.00 43.32 H new ATOM 0 HG22 ILE A 84 -7.833 19.877 3.327 1.00 43.32 H new ATOM 0 HG23 ILE A 84 -7.391 18.590 4.475 1.00 43.32 H new ATOM 0 HD11 ILE A 84 -5.346 20.858 7.759 1.00 71.42 H new ATOM 0 HD12 ILE A 84 -5.423 22.047 6.438 1.00 71.42 H new ATOM 0 HD13 ILE A 84 -6.878 21.130 6.896 1.00 71.42 H new ATOM 1293 N VAL A 85 -5.934 20.883 1.458 1.00 23.34 N ATOM 1294 CA VAL A 85 -6.580 21.094 0.168 1.00 31.40 C ATOM 1295 C VAL A 85 -5.986 20.183 -0.901 1.00 2.22 C ATOM 1296 O VAL A 85 -6.676 19.765 -1.831 1.00 13.10 O ATOM 1297 CB VAL A 85 -6.450 22.558 -0.293 1.00 43.24 C ATOM 1298 CG1 VAL A 85 -7.102 22.751 -1.653 1.00 73.01 C ATOM 1299 CG2 VAL A 85 -7.060 23.496 0.739 1.00 21.31 C ATOM 0 H VAL A 85 -5.601 21.736 1.908 1.00 23.34 H new ATOM 0 HA VAL A 85 -7.635 20.854 0.301 1.00 31.40 H new ATOM 0 HB VAL A 85 -5.391 22.798 -0.389 1.00 43.24 H new ATOM 0 HG11 VAL A 85 -7.000 23.791 -1.961 1.00 73.01 H new ATOM 0 HG12 VAL A 85 -6.615 22.106 -2.385 1.00 73.01 H new ATOM 0 HG13 VAL A 85 -8.159 22.494 -1.589 1.00 73.01 H new ATOM 0 HG21 VAL A 85 -6.960 24.526 0.398 1.00 21.31 H new ATOM 0 HG22 VAL A 85 -8.116 23.257 0.868 1.00 21.31 H new ATOM 0 HG23 VAL A 85 -6.542 23.377 1.690 1.00 21.31 H new ATOM 1309 N THR A 86 -4.700 19.877 -0.761 1.00 12.13 N ATOM 1310 CA THR A 86 -4.011 19.016 -1.715 1.00 11.51 C ATOM 1311 C THR A 86 -4.502 17.576 -1.609 1.00 12.03 C ATOM 1312 O THR A 86 -4.923 16.979 -2.600 1.00 34.14 O ATOM 1313 CB THR A 86 -2.487 19.043 -1.497 1.00 21.03 C ATOM 1314 OG1 THR A 86 -1.971 20.342 -1.808 1.00 0.05 O ATOM 1315 CG2 THR A 86 -1.798 17.998 -2.362 1.00 41.21 C ATOM 0 H THR A 86 -4.114 20.213 0.004 1.00 12.13 H new ATOM 0 HA THR A 86 -4.235 19.402 -2.709 1.00 11.51 H new ATOM 0 HB THR A 86 -2.288 18.814 -0.450 1.00 21.03 H new ATOM 0 HG1 THR A 86 -2.212 20.969 -1.094 1.00 0.05 H new ATOM 0 HG21 THR A 86 -0.722 18.036 -2.191 1.00 41.21 H new ATOM 0 HG22 THR A 86 -2.172 17.007 -2.103 1.00 41.21 H new ATOM 0 HG23 THR A 86 -2.006 18.201 -3.413 1.00 41.21 H new ATOM 1323 N LEU A 87 -4.447 17.024 -0.402 1.00 32.12 N ATOM 1324 CA LEU A 87 -4.887 15.654 -0.166 1.00 22.13 C ATOM 1325 C LEU A 87 -6.344 15.470 -0.581 1.00 24.52 C ATOM 1326 O LEU A 87 -6.750 14.385 -0.997 1.00 52.30 O ATOM 1327 CB LEU A 87 -4.717 15.289 1.309 1.00 42.43 C ATOM 1328 CG LEU A 87 -3.276 15.181 1.812 1.00 50.40 C ATOM 1329 CD1 LEU A 87 -3.250 14.746 3.269 1.00 72.14 C ATOM 1330 CD2 LEU A 87 -2.482 14.210 0.950 1.00 15.25 C ATOM 0 H LEU A 87 -4.102 17.505 0.429 1.00 32.12 H new ATOM 0 HA LEU A 87 -4.269 14.992 -0.772 1.00 22.13 H new ATOM 0 HB2 LEU A 87 -5.235 16.036 1.910 1.00 42.43 H new ATOM 0 HB3 LEU A 87 -5.215 14.336 1.487 1.00 42.43 H new ATOM 0 HG LEU A 87 -2.812 16.164 1.739 1.00 50.40 H new ATOM 0 HD11 LEU A 87 -2.217 14.675 3.609 1.00 72.14 H new ATOM 0 HD12 LEU A 87 -3.782 15.478 3.877 1.00 72.14 H new ATOM 0 HD13 LEU A 87 -3.732 13.773 3.367 1.00 72.14 H new ATOM 0 HD21 LEU A 87 -1.459 14.146 1.322 1.00 15.25 H new ATOM 0 HD22 LEU A 87 -2.946 13.224 0.991 1.00 15.25 H new ATOM 0 HD23 LEU A 87 -2.471 14.564 -0.081 1.00 15.25 H new ATOM 1342 N LYS A 88 -7.124 16.540 -0.470 1.00 53.31 N ATOM 1343 CA LYS A 88 -8.534 16.500 -0.837 1.00 13.25 C ATOM 1344 C LYS A 88 -8.701 16.441 -2.352 1.00 31.01 C ATOM 1345 O LYS A 88 -9.195 15.454 -2.895 1.00 3.54 O ATOM 1346 CB LYS A 88 -9.263 17.725 -0.279 1.00 22.54 C ATOM 1347 CG LYS A 88 -9.838 17.511 1.110 1.00 13.11 C ATOM 1348 CD LYS A 88 -10.815 18.612 1.485 1.00 71.40 C ATOM 1349 CE LYS A 88 -10.089 19.891 1.876 1.00 31.23 C ATOM 1350 NZ LYS A 88 -10.570 20.425 3.180 1.00 33.41 N ATOM 0 H LYS A 88 -6.803 17.446 -0.129 1.00 53.31 H new ATOM 0 HA LYS A 88 -8.970 15.599 -0.406 1.00 13.25 H new ATOM 0 HB2 LYS A 88 -8.571 18.567 -0.251 1.00 22.54 H new ATOM 0 HB3 LYS A 88 -10.070 17.998 -0.959 1.00 22.54 H new ATOM 0 HG2 LYS A 88 -10.343 16.546 1.151 1.00 13.11 H new ATOM 0 HG3 LYS A 88 -9.028 17.478 1.839 1.00 13.11 H new ATOM 0 HD2 LYS A 88 -11.480 18.812 0.645 1.00 71.40 H new ATOM 0 HD3 LYS A 88 -11.440 18.279 2.314 1.00 71.40 H new ATOM 0 HE2 LYS A 88 -9.018 19.697 1.936 1.00 31.23 H new ATOM 0 HE3 LYS A 88 -10.234 20.643 1.100 1.00 31.23 H new ATOM 0 HZ1 LYS A 88 -10.588 21.464 3.144 1.00 33.41 H new ATOM 0 HZ2 LYS A 88 -11.529 20.069 3.369 1.00 33.41 H new ATOM 0 HZ3 LYS A 88 -9.930 20.116 3.939 1.00 33.41 H new ATOM 1364 N VAL A 89 -8.285 17.507 -3.030 1.00 1.21 N ATOM 1365 CA VAL A 89 -8.386 17.576 -4.483 1.00 2.33 C ATOM 1366 C VAL A 89 -7.686 16.390 -5.139 1.00 62.51 C ATOM 1367 O VAL A 89 -8.109 15.910 -6.191 1.00 45.31 O ATOM 1368 CB VAL A 89 -7.777 18.882 -5.026 1.00 33.32 C ATOM 1369 CG1 VAL A 89 -6.287 18.942 -4.729 1.00 1.21 C ATOM 1370 CG2 VAL A 89 -8.037 19.009 -6.520 1.00 45.12 C ATOM 0 H VAL A 89 -7.875 18.334 -2.596 1.00 1.21 H new ATOM 0 HA VAL A 89 -9.448 17.549 -4.729 1.00 2.33 H new ATOM 0 HB VAL A 89 -8.256 19.722 -4.523 1.00 33.32 H new ATOM 0 HG11 VAL A 89 -5.875 19.872 -5.121 1.00 1.21 H new ATOM 0 HG12 VAL A 89 -6.129 18.900 -3.651 1.00 1.21 H new ATOM 0 HG13 VAL A 89 -5.787 18.097 -5.202 1.00 1.21 H new ATOM 0 HG21 VAL A 89 -7.600 19.937 -6.888 1.00 45.12 H new ATOM 0 HG22 VAL A 89 -7.586 18.164 -7.041 1.00 45.12 H new ATOM 0 HG23 VAL A 89 -9.112 19.016 -6.703 1.00 45.12 H new ATOM 1380 N PHE A 90 -6.611 15.924 -4.511 1.00 64.40 N ATOM 1381 CA PHE A 90 -5.851 14.794 -5.034 1.00 65.55 C ATOM 1382 C PHE A 90 -6.600 13.484 -4.811 1.00 65.04 C ATOM 1383 O PHE A 90 -6.506 12.559 -5.617 1.00 1.44 O ATOM 1384 CB PHE A 90 -4.474 14.728 -4.370 1.00 2.33 C ATOM 1385 CG PHE A 90 -3.695 13.494 -4.727 1.00 53.54 C ATOM 1386 CD1 PHE A 90 -3.741 12.372 -3.916 1.00 13.32 C ATOM 1387 CD2 PHE A 90 -2.918 13.457 -5.873 1.00 42.50 C ATOM 1388 CE1 PHE A 90 -3.026 11.234 -4.241 1.00 1.21 C ATOM 1389 CE2 PHE A 90 -2.201 12.323 -6.204 1.00 1.31 C ATOM 1390 CZ PHE A 90 -2.254 11.211 -5.386 1.00 1.43 C ATOM 0 H PHE A 90 -6.247 16.311 -3.640 1.00 64.40 H new ATOM 0 HA PHE A 90 -5.723 14.939 -6.107 1.00 65.55 H new ATOM 0 HB2 PHE A 90 -3.898 15.608 -4.658 1.00 2.33 H new ATOM 0 HB3 PHE A 90 -4.599 14.769 -3.288 1.00 2.33 H new ATOM 0 HD1 PHE A 90 -4.343 12.386 -3.019 1.00 13.32 H new ATOM 0 HD2 PHE A 90 -2.872 14.324 -6.515 1.00 42.50 H new ATOM 0 HE1 PHE A 90 -3.071 10.365 -3.601 1.00 1.21 H new ATOM 0 HE2 PHE A 90 -1.600 12.306 -7.101 1.00 1.31 H new ATOM 0 HZ PHE A 90 -1.692 10.325 -5.642 1.00 1.43 H new ATOM 1400 N ALA A 91 -7.343 13.414 -3.711 1.00 60.21 N ATOM 1401 CA ALA A 91 -8.110 12.219 -3.382 1.00 43.42 C ATOM 1402 C ALA A 91 -9.246 12.005 -4.375 1.00 13.13 C ATOM 1403 O ALA A 91 -9.444 10.899 -4.880 1.00 65.04 O ATOM 1404 CB ALA A 91 -8.655 12.316 -1.965 1.00 61.10 C ATOM 0 H ALA A 91 -7.430 14.171 -3.033 1.00 60.21 H new ATOM 0 HA ALA A 91 -7.442 11.360 -3.445 1.00 43.42 H new ATOM 0 HB1 ALA A 91 -9.226 11.417 -1.732 1.00 61.10 H new ATOM 0 HB2 ALA A 91 -7.827 12.412 -1.263 1.00 61.10 H new ATOM 0 HB3 ALA A 91 -9.303 13.189 -1.883 1.00 61.10 H new ATOM 1410 N VAL A 92 -9.992 13.070 -4.653 1.00 1.53 N ATOM 1411 CA VAL A 92 -11.110 12.998 -5.586 1.00 21.40 C ATOM 1412 C VAL A 92 -10.618 12.907 -7.026 1.00 20.34 C ATOM 1413 O VAL A 92 -11.180 12.174 -7.840 1.00 62.31 O ATOM 1414 CB VAL A 92 -12.035 14.221 -5.449 1.00 13.32 C ATOM 1415 CG1 VAL A 92 -12.700 14.237 -4.081 1.00 50.31 C ATOM 1416 CG2 VAL A 92 -11.258 15.507 -5.687 1.00 21.22 C ATOM 0 H VAL A 92 -9.842 13.993 -4.245 1.00 1.53 H new ATOM 0 HA VAL A 92 -11.671 12.097 -5.338 1.00 21.40 H new ATOM 0 HB VAL A 92 -12.816 14.150 -6.206 1.00 13.32 H new ATOM 0 HG11 VAL A 92 -13.350 15.109 -4.003 1.00 50.31 H new ATOM 0 HG12 VAL A 92 -13.292 13.330 -3.953 1.00 50.31 H new ATOM 0 HG13 VAL A 92 -11.936 14.284 -3.305 1.00 50.31 H new ATOM 0 HG21 VAL A 92 -11.928 16.361 -5.586 1.00 21.22 H new ATOM 0 HG22 VAL A 92 -10.455 15.588 -4.955 1.00 21.22 H new ATOM 0 HG23 VAL A 92 -10.834 15.495 -6.691 1.00 21.22 H new ATOM 1426 N ALA A 93 -9.564 13.654 -7.334 1.00 65.13 N ATOM 1427 CA ALA A 93 -8.993 13.657 -8.676 1.00 13.44 C ATOM 1428 C ALA A 93 -8.134 12.418 -8.909 1.00 42.50 C ATOM 1429 O ALA A 93 -7.742 12.126 -10.037 1.00 23.44 O ATOM 1430 CB ALA A 93 -8.174 14.919 -8.900 1.00 3.23 C ATOM 0 H ALA A 93 -9.087 14.266 -6.672 1.00 65.13 H new ATOM 0 HA ALA A 93 -9.814 13.639 -9.393 1.00 13.44 H new ATOM 0 HB1 ALA A 93 -7.754 14.907 -9.906 1.00 3.23 H new ATOM 0 HB2 ALA A 93 -8.814 15.794 -8.785 1.00 3.23 H new ATOM 0 HB3 ALA A 93 -7.366 14.962 -8.170 1.00 3.23 H new ATOM 1436 N GLY A 94 -7.845 11.693 -7.832 1.00 22.25 N ATOM 1437 CA GLY A 94 -7.034 10.494 -7.941 1.00 42.24 C ATOM 1438 C GLY A 94 -7.846 9.226 -7.770 1.00 62.54 C ATOM 1439 O GLY A 94 -8.060 8.483 -8.729 1.00 74.43 O ATOM 0 H GLY A 94 -8.158 11.914 -6.887 1.00 22.25 H new ATOM 0 HA2 GLY A 94 -6.543 10.479 -8.914 1.00 42.24 H new ATOM 0 HA3 GLY A 94 -6.247 10.522 -7.187 1.00 42.24 H new ATOM 1443 N LEU A 95 -8.298 8.976 -6.547 1.00 2.50 N ATOM 1444 CA LEU A 95 -9.091 7.787 -6.252 1.00 71.34 C ATOM 1445 C LEU A 95 -10.389 7.785 -7.053 1.00 63.25 C ATOM 1446 O LEU A 95 -10.880 6.731 -7.459 1.00 61.15 O ATOM 1447 CB LEU A 95 -9.401 7.714 -4.756 1.00 74.13 C ATOM 1448 CG LEU A 95 -8.235 7.323 -3.846 1.00 34.41 C ATOM 1449 CD1 LEU A 95 -7.576 6.046 -4.343 1.00 61.22 C ATOM 1450 CD2 LEU A 95 -7.220 8.454 -3.766 1.00 65.13 C ATOM 0 H LEU A 95 -8.129 9.580 -5.743 1.00 2.50 H new ATOM 0 HA LEU A 95 -8.508 6.912 -6.539 1.00 71.34 H new ATOM 0 HB2 LEU A 95 -9.776 8.686 -4.435 1.00 74.13 H new ATOM 0 HB3 LEU A 95 -10.208 6.997 -4.607 1.00 74.13 H new ATOM 0 HG LEU A 95 -8.625 7.140 -2.845 1.00 34.41 H new ATOM 0 HD11 LEU A 95 -6.749 5.783 -3.684 1.00 61.22 H new ATOM 0 HD12 LEU A 95 -8.307 5.238 -4.348 1.00 61.22 H new ATOM 0 HD13 LEU A 95 -7.199 6.201 -5.354 1.00 61.22 H new ATOM 0 HD21 LEU A 95 -6.397 8.159 -3.115 1.00 65.13 H new ATOM 0 HD22 LEU A 95 -6.835 8.668 -4.763 1.00 65.13 H new ATOM 0 HD23 LEU A 95 -7.700 9.346 -3.363 1.00 65.13 H new ATOM 1462 N LEU A 96 -10.939 8.973 -7.279 1.00 51.02 N ATOM 1463 CA LEU A 96 -12.180 9.110 -8.034 1.00 72.04 C ATOM 1464 C LEU A 96 -11.901 9.567 -9.461 1.00 34.40 C ATOM 1465 O LEU A 96 -12.820 9.726 -10.264 1.00 51.02 O ATOM 1466 CB LEU A 96 -13.114 10.104 -7.341 1.00 72.42 C ATOM 1467 CG LEU A 96 -14.535 9.610 -7.065 1.00 45.00 C ATOM 1468 CD1 LEU A 96 -14.971 10.000 -5.661 1.00 1.34 C ATOM 1469 CD2 LEU A 96 -15.503 10.164 -8.099 1.00 51.04 C ATOM 0 H LEU A 96 -10.546 9.855 -6.951 1.00 51.02 H new ATOM 0 HA LEU A 96 -12.663 8.134 -8.073 1.00 72.04 H new ATOM 0 HB2 LEU A 96 -12.662 10.396 -6.393 1.00 72.42 H new ATOM 0 HB3 LEU A 96 -13.176 11.002 -7.955 1.00 72.42 H new ATOM 0 HG LEU A 96 -14.542 8.522 -7.137 1.00 45.00 H new ATOM 0 HD11 LEU A 96 -15.984 9.641 -5.482 1.00 1.34 H new ATOM 0 HD12 LEU A 96 -14.294 9.554 -4.933 1.00 1.34 H new ATOM 0 HD13 LEU A 96 -14.948 11.085 -5.561 1.00 1.34 H new ATOM 0 HD21 LEU A 96 -16.509 9.802 -7.887 1.00 51.04 H new ATOM 0 HD22 LEU A 96 -15.494 11.253 -8.059 1.00 51.04 H new ATOM 0 HD23 LEU A 96 -15.201 9.835 -9.093 1.00 51.04 H new ATOM 1481 N ASN A 97 -10.626 9.775 -9.773 1.00 45.30 N ATOM 1482 CA ASN A 97 -10.225 10.212 -11.105 1.00 4.43 C ATOM 1483 C ASN A 97 -11.029 11.432 -11.543 1.00 12.55 C ATOM 1484 O ASN A 97 -11.286 11.625 -12.730 1.00 71.05 O ATOM 1485 CB ASN A 97 -10.410 9.076 -12.114 1.00 11.12 C ATOM 1486 CG ASN A 97 -9.737 9.367 -13.441 1.00 33.03 C ATOM 1487 OD1 ASN A 97 -8.824 10.190 -13.521 1.00 12.23 O ATOM 1488 ND2 ASN A 97 -10.185 8.690 -14.492 1.00 34.44 N ATOM 0 H ASN A 97 -9.852 9.648 -9.121 1.00 45.30 H new ATOM 0 HA ASN A 97 -9.171 10.488 -11.068 1.00 4.43 H new ATOM 0 HB2 ASN A 97 -10.004 8.154 -11.698 1.00 11.12 H new ATOM 0 HB3 ASN A 97 -11.475 8.909 -12.278 1.00 11.12 H new ATOM 0 HD21 ASN A 97 -9.770 8.842 -15.411 1.00 34.44 H new ATOM 0 HD22 ASN A 97 -10.944 8.018 -14.380 1.00 34.44 H new ATOM 1495 N MET A 98 -11.423 12.252 -10.574 1.00 13.14 N ATOM 1496 CA MET A 98 -12.197 13.454 -10.859 1.00 34.21 C ATOM 1497 C MET A 98 -11.350 14.481 -11.604 1.00 54.15 C ATOM 1498 O MET A 98 -10.123 14.475 -11.509 1.00 23.42 O ATOM 1499 CB MET A 98 -12.733 14.062 -9.561 1.00 61.43 C ATOM 1500 CG MET A 98 -13.887 15.028 -9.773 1.00 60.20 C ATOM 1501 SD MET A 98 -14.981 15.127 -8.343 1.00 60.52 S ATOM 1502 CE MET A 98 -15.216 16.899 -8.219 1.00 0.02 C ATOM 0 H MET A 98 -11.219 12.106 -9.585 1.00 13.14 H new ATOM 0 HA MET A 98 -13.038 13.173 -11.493 1.00 34.21 H new ATOM 0 HB2 MET A 98 -13.059 13.258 -8.901 1.00 61.43 H new ATOM 0 HB3 MET A 98 -11.922 14.583 -9.052 1.00 61.43 H new ATOM 0 HG2 MET A 98 -13.490 16.019 -9.992 1.00 60.20 H new ATOM 0 HG3 MET A 98 -14.462 14.715 -10.645 1.00 60.20 H new ATOM 0 HE1 MET A 98 -16.017 17.111 -7.511 1.00 0.02 H new ATOM 0 HE2 MET A 98 -14.293 17.365 -7.873 1.00 0.02 H new ATOM 0 HE3 MET A 98 -15.481 17.300 -9.197 1.00 0.02 H new ATOM 1512 N THR A 99 -12.014 15.364 -12.344 1.00 2.21 N ATOM 1513 CA THR A 99 -11.322 16.397 -13.106 1.00 4.22 C ATOM 1514 C THR A 99 -11.498 17.766 -12.461 1.00 52.11 C ATOM 1515 O THR A 99 -12.004 18.698 -13.088 1.00 50.41 O ATOM 1516 CB THR A 99 -11.829 16.456 -14.560 1.00 52.33 C ATOM 1517 OG1 THR A 99 -13.196 16.880 -14.584 1.00 32.44 O ATOM 1518 CG2 THR A 99 -11.700 15.099 -15.233 1.00 34.41 C ATOM 0 H THR A 99 -13.030 15.384 -12.432 1.00 2.21 H new ATOM 0 HA THR A 99 -10.264 16.134 -13.109 1.00 4.22 H new ATOM 0 HB THR A 99 -11.217 17.173 -15.107 1.00 52.33 H new ATOM 0 HG1 THR A 99 -13.266 17.782 -14.206 1.00 32.44 H new ATOM 0 HG21 THR A 99 -12.064 15.165 -16.258 1.00 34.41 H new ATOM 0 HG22 THR A 99 -10.654 14.794 -15.238 1.00 34.41 H new ATOM 0 HG23 THR A 99 -12.290 14.364 -14.685 1.00 34.41 H new ATOM 1526 N VAL A 100 -11.077 17.883 -11.206 1.00 63.23 N ATOM 1527 CA VAL A 100 -11.186 19.141 -10.477 1.00 74.51 C ATOM 1528 C VAL A 100 -10.588 20.293 -11.276 1.00 50.14 C ATOM 1529 O VAL A 100 -9.629 20.110 -12.026 1.00 51.44 O ATOM 1530 CB VAL A 100 -10.484 19.060 -9.108 1.00 31.43 C ATOM 1531 CG1 VAL A 100 -10.717 20.335 -8.312 1.00 1.23 C ATOM 1532 CG2 VAL A 100 -10.967 17.843 -8.334 1.00 13.20 C ATOM 0 H VAL A 100 -10.657 17.122 -10.673 1.00 63.23 H new ATOM 0 HA VAL A 100 -12.249 19.325 -10.321 1.00 74.51 H new ATOM 0 HB VAL A 100 -9.412 18.955 -9.274 1.00 31.43 H new ATOM 0 HG11 VAL A 100 -10.214 20.259 -7.348 1.00 1.23 H new ATOM 0 HG12 VAL A 100 -10.318 21.186 -8.864 1.00 1.23 H new ATOM 0 HG13 VAL A 100 -11.786 20.474 -8.153 1.00 1.23 H new ATOM 0 HG21 VAL A 100 -10.461 17.801 -7.369 1.00 13.20 H new ATOM 0 HG22 VAL A 100 -12.043 17.916 -8.176 1.00 13.20 H new ATOM 0 HG23 VAL A 100 -10.743 16.939 -8.901 1.00 13.20 H new ATOM 1542 N SER A 101 -11.159 21.482 -11.109 1.00 51.44 N ATOM 1543 CA SER A 101 -10.683 22.664 -11.816 1.00 72.43 C ATOM 1544 C SER A 101 -9.737 23.479 -10.940 1.00 43.52 C ATOM 1545 O SER A 101 -8.743 24.026 -11.419 1.00 40.31 O ATOM 1546 CB SER A 101 -11.865 23.533 -12.253 1.00 31.13 C ATOM 1547 OG SER A 101 -12.567 22.936 -13.329 1.00 25.22 O ATOM 0 H SER A 101 -11.952 21.652 -10.490 1.00 51.44 H new ATOM 0 HA SER A 101 -10.137 22.332 -12.699 1.00 72.43 H new ATOM 0 HB2 SER A 101 -12.542 23.682 -11.411 1.00 31.13 H new ATOM 0 HB3 SER A 101 -11.506 24.518 -12.551 1.00 31.13 H new ATOM 0 HG SER A 101 -13.318 23.510 -13.588 1.00 25.22 H new ATOM 1553 N THR A 102 -10.052 23.555 -9.650 1.00 45.22 N ATOM 1554 CA THR A 102 -9.231 24.302 -8.705 1.00 50.33 C ATOM 1555 C THR A 102 -9.216 23.628 -7.337 1.00 24.24 C ATOM 1556 O THR A 102 -10.208 23.036 -6.916 1.00 53.20 O ATOM 1557 CB THR A 102 -9.735 25.749 -8.546 1.00 52.42 C ATOM 1558 OG1 THR A 102 -10.946 25.765 -7.781 1.00 13.35 O ATOM 1559 CG2 THR A 102 -9.978 26.390 -9.903 1.00 50.13 C ATOM 0 H THR A 102 -10.870 23.108 -9.236 1.00 45.22 H new ATOM 0 HA THR A 102 -8.219 24.319 -9.110 1.00 50.33 H new ATOM 0 HB THR A 102 -8.968 26.322 -8.024 1.00 52.42 H new ATOM 0 HG1 THR A 102 -11.259 26.689 -7.683 1.00 13.35 H new ATOM 0 HG21 THR A 102 -10.333 27.411 -9.765 1.00 50.13 H new ATOM 0 HG22 THR A 102 -9.048 26.403 -10.471 1.00 50.13 H new ATOM 0 HG23 THR A 102 -10.727 25.816 -10.448 1.00 50.13 H new ATOM 1567 N ALA A 103 -8.082 23.721 -6.650 1.00 64.13 N ATOM 1568 CA ALA A 103 -7.938 23.123 -5.329 1.00 10.02 C ATOM 1569 C ALA A 103 -9.079 23.543 -4.409 1.00 42.12 C ATOM 1570 O ALA A 103 -9.548 22.756 -3.587 1.00 61.15 O ATOM 1571 CB ALA A 103 -6.597 23.504 -4.719 1.00 34.41 C ATOM 0 H ALA A 103 -7.250 24.205 -6.987 1.00 64.13 H new ATOM 0 HA ALA A 103 -7.977 22.040 -5.442 1.00 10.02 H new ATOM 0 HB1 ALA A 103 -6.504 23.050 -3.732 1.00 34.41 H new ATOM 0 HB2 ALA A 103 -5.791 23.147 -5.360 1.00 34.41 H new ATOM 0 HB3 ALA A 103 -6.534 24.588 -4.627 1.00 34.41 H new ATOM 1577 N ALA A 104 -9.519 24.789 -4.551 1.00 21.24 N ATOM 1578 CA ALA A 104 -10.606 25.313 -3.733 1.00 62.24 C ATOM 1579 C ALA A 104 -11.897 24.541 -3.976 1.00 13.51 C ATOM 1580 O ALA A 104 -12.529 24.060 -3.036 1.00 13.21 O ATOM 1581 CB ALA A 104 -10.812 26.794 -4.016 1.00 34.44 C ATOM 0 H ALA A 104 -9.139 25.454 -5.225 1.00 21.24 H new ATOM 0 HA ALA A 104 -10.332 25.189 -2.685 1.00 62.24 H new ATOM 0 HB1 ALA A 104 -11.627 27.173 -3.399 1.00 34.44 H new ATOM 0 HB2 ALA A 104 -9.897 27.339 -3.784 1.00 34.44 H new ATOM 0 HB3 ALA A 104 -11.060 26.932 -5.068 1.00 34.44 H new ATOM 1587 N ALA A 105 -12.285 24.427 -5.242 1.00 32.00 N ATOM 1588 CA ALA A 105 -13.501 23.711 -5.608 1.00 53.11 C ATOM 1589 C ALA A 105 -13.509 22.304 -5.019 1.00 61.31 C ATOM 1590 O ALA A 105 -14.535 21.829 -4.534 1.00 71.41 O ATOM 1591 CB ALA A 105 -13.645 23.654 -7.121 1.00 21.22 C ATOM 0 H ALA A 105 -11.774 24.822 -6.032 1.00 32.00 H new ATOM 0 HA ALA A 105 -14.351 24.254 -5.194 1.00 53.11 H new ATOM 0 HB1 ALA A 105 -14.557 23.116 -7.380 1.00 21.22 H new ATOM 0 HB2 ALA A 105 -13.695 24.667 -7.520 1.00 21.22 H new ATOM 0 HB3 ALA A 105 -12.786 23.138 -7.549 1.00 21.22 H new ATOM 1597 N ALA A 106 -12.357 21.643 -5.067 1.00 43.24 N ATOM 1598 CA ALA A 106 -12.231 20.291 -4.536 1.00 30.42 C ATOM 1599 C ALA A 106 -12.465 20.267 -3.030 1.00 42.14 C ATOM 1600 O ALA A 106 -13.095 19.349 -2.505 1.00 22.51 O ATOM 1601 CB ALA A 106 -10.860 19.720 -4.869 1.00 40.30 C ATOM 0 H ALA A 106 -11.499 22.021 -5.468 1.00 43.24 H new ATOM 0 HA ALA A 106 -12.995 19.671 -5.004 1.00 30.42 H new ATOM 0 HB1 ALA A 106 -10.779 18.710 -4.467 1.00 40.30 H new ATOM 0 HB2 ALA A 106 -10.731 19.691 -5.951 1.00 40.30 H new ATOM 0 HB3 ALA A 106 -10.087 20.349 -4.428 1.00 40.30 H new ATOM 1607 N GLU A 107 -11.953 21.282 -2.340 1.00 22.03 N ATOM 1608 CA GLU A 107 -12.105 21.375 -0.893 1.00 34.11 C ATOM 1609 C GLU A 107 -13.575 21.518 -0.509 1.00 73.30 C ATOM 1610 O GLU A 107 -14.098 20.742 0.289 1.00 2.35 O ATOM 1611 CB GLU A 107 -11.307 22.561 -0.349 1.00 71.51 C ATOM 1612 CG GLU A 107 -11.589 22.866 1.112 1.00 14.01 C ATOM 1613 CD GLU A 107 -10.420 23.539 1.805 1.00 25.14 C ATOM 1614 OE1 GLU A 107 -9.778 24.406 1.175 1.00 73.21 O ATOM 1615 OE2 GLU A 107 -10.146 23.199 2.974 1.00 0.32 O ATOM 0 H GLU A 107 -11.430 22.051 -2.760 1.00 22.03 H new ATOM 0 HA GLU A 107 -11.720 20.455 -0.453 1.00 34.11 H new ATOM 0 HB2 GLU A 107 -10.243 22.358 -0.470 1.00 71.51 H new ATOM 0 HB3 GLU A 107 -11.533 23.445 -0.946 1.00 71.51 H new ATOM 0 HG2 GLU A 107 -12.467 23.509 1.182 1.00 14.01 H new ATOM 0 HG3 GLU A 107 -11.830 21.939 1.633 1.00 14.01 H new ATOM 1622 N ASN A 108 -14.237 22.517 -1.084 1.00 60.12 N ATOM 1623 CA ASN A 108 -15.646 22.764 -0.802 1.00 42.23 C ATOM 1624 C ASN A 108 -16.485 21.525 -1.099 1.00 55.32 C ATOM 1625 O ASN A 108 -17.479 21.259 -0.423 1.00 62.03 O ATOM 1626 CB ASN A 108 -16.153 23.947 -1.629 1.00 52.34 C ATOM 1627 CG ASN A 108 -15.541 25.264 -1.191 1.00 15.55 C ATOM 1628 OD1 ASN A 108 -14.913 25.348 -0.135 1.00 54.22 O ATOM 1629 ND2 ASN A 108 -15.724 26.299 -2.002 1.00 63.13 N ATOM 0 H ASN A 108 -13.820 23.169 -1.748 1.00 60.12 H new ATOM 0 HA ASN A 108 -15.743 23.002 0.257 1.00 42.23 H new ATOM 0 HB2 ASN A 108 -15.925 23.776 -2.681 1.00 52.34 H new ATOM 0 HB3 ASN A 108 -17.238 24.008 -1.544 1.00 52.34 H new ATOM 0 HD21 ASN A 108 -15.337 27.211 -1.760 1.00 63.13 H new ATOM 0 HD22 ASN A 108 -16.252 26.182 -2.867 1.00 63.13 H new ATOM 1636 N MET A 109 -16.077 20.769 -2.114 1.00 41.23 N ATOM 1637 CA MET A 109 -16.790 19.557 -2.498 1.00 73.34 C ATOM 1638 C MET A 109 -16.555 18.442 -1.483 1.00 72.24 C ATOM 1639 O MET A 109 -17.500 17.809 -1.012 1.00 23.44 O ATOM 1640 CB MET A 109 -16.347 19.098 -3.889 1.00 73.13 C ATOM 1641 CG MET A 109 -17.122 17.899 -4.409 1.00 32.41 C ATOM 1642 SD MET A 109 -18.837 18.298 -4.801 1.00 5.03 S ATOM 1643 CE MET A 109 -19.655 17.798 -3.288 1.00 70.42 C ATOM 0 H MET A 109 -15.257 20.975 -2.684 1.00 41.23 H new ATOM 0 HA MET A 109 -17.856 19.785 -2.520 1.00 73.34 H new ATOM 0 HB2 MET A 109 -16.461 19.926 -4.589 1.00 73.13 H new ATOM 0 HB3 MET A 109 -15.286 18.850 -3.860 1.00 73.13 H new ATOM 0 HG2 MET A 109 -16.630 17.512 -5.301 1.00 32.41 H new ATOM 0 HG3 MET A 109 -17.099 17.105 -3.663 1.00 32.41 H new ATOM 0 HE1 MET A 109 -20.590 17.293 -3.530 1.00 70.42 H new ATOM 0 HE2 MET A 109 -19.009 17.118 -2.733 1.00 70.42 H new ATOM 0 HE3 MET A 109 -19.864 18.678 -2.680 1.00 70.42 H new ATOM 1653 N TYR A 110 -15.291 18.209 -1.151 1.00 44.52 N ATOM 1654 CA TYR A 110 -14.932 17.169 -0.194 1.00 45.04 C ATOM 1655 C TYR A 110 -15.729 17.319 1.098 1.00 2.11 C ATOM 1656 O TYR A 110 -16.115 16.329 1.721 1.00 73.23 O ATOM 1657 CB TYR A 110 -13.433 17.222 0.110 1.00 11.23 C ATOM 1658 CG TYR A 110 -12.796 15.857 0.247 1.00 23.52 C ATOM 1659 CD1 TYR A 110 -12.399 15.138 -0.874 1.00 64.13 C ATOM 1660 CD2 TYR A 110 -12.591 15.287 1.496 1.00 42.31 C ATOM 1661 CE1 TYR A 110 -11.816 13.891 -0.754 1.00 52.05 C ATOM 1662 CE2 TYR A 110 -12.008 14.041 1.627 1.00 23.35 C ATOM 1663 CZ TYR A 110 -11.622 13.348 0.498 1.00 13.35 C ATOM 1664 OH TYR A 110 -11.042 12.106 0.624 1.00 62.30 O ATOM 0 H TYR A 110 -14.497 18.726 -1.530 1.00 44.52 H new ATOM 0 HA TYR A 110 -15.173 16.203 -0.638 1.00 45.04 H new ATOM 0 HB2 TYR A 110 -12.928 17.771 -0.685 1.00 11.23 H new ATOM 0 HB3 TYR A 110 -13.277 17.781 1.033 1.00 11.23 H new ATOM 0 HD1 TYR A 110 -12.549 15.561 -1.856 1.00 64.13 H new ATOM 0 HD2 TYR A 110 -12.893 15.827 2.381 1.00 42.31 H new ATOM 0 HE1 TYR A 110 -11.514 13.345 -1.636 1.00 52.05 H new ATOM 0 HE2 TYR A 110 -11.856 13.612 2.607 1.00 23.35 H new ATOM 0 HH TYR A 110 -10.977 11.870 1.573 1.00 62.30 H new ATOM 1674 N SER A 111 -15.972 18.564 1.495 1.00 64.52 N ATOM 1675 CA SER A 111 -16.720 18.845 2.714 1.00 75.10 C ATOM 1676 C SER A 111 -18.221 18.874 2.436 1.00 4.53 C ATOM 1677 O SER A 111 -19.024 18.454 3.269 1.00 40.33 O ATOM 1678 CB SER A 111 -16.277 20.181 3.314 1.00 24.44 C ATOM 1679 OG SER A 111 -16.728 20.315 4.650 1.00 41.04 O ATOM 0 H SER A 111 -15.662 19.394 0.990 1.00 64.52 H new ATOM 0 HA SER A 111 -16.514 18.048 3.428 1.00 75.10 H new ATOM 0 HB2 SER A 111 -15.190 20.253 3.285 1.00 24.44 H new ATOM 0 HB3 SER A 111 -16.667 21.001 2.711 1.00 24.44 H new ATOM 0 HG SER A 111 -16.431 21.176 5.011 1.00 41.04 H new ATOM 1685 N GLN A 112 -18.589 19.371 1.260 1.00 1.41 N ATOM 1686 CA GLN A 112 -19.993 19.454 0.873 1.00 44.00 C ATOM 1687 C GLN A 112 -20.645 18.076 0.893 1.00 72.22 C ATOM 1688 O GLN A 112 -21.801 17.932 1.290 1.00 74.13 O ATOM 1689 CB GLN A 112 -20.122 20.073 -0.520 1.00 53.10 C ATOM 1690 CG GLN A 112 -20.366 21.573 -0.500 1.00 52.42 C ATOM 1691 CD GLN A 112 -21.794 21.927 -0.133 1.00 31.02 C ATOM 1692 OE1 GLN A 112 -22.493 21.148 0.514 1.00 2.55 O ATOM 1693 NE2 GLN A 112 -22.235 23.109 -0.548 1.00 53.33 N ATOM 0 H GLN A 112 -17.936 19.722 0.559 1.00 1.41 H new ATOM 0 HA GLN A 112 -20.507 20.089 1.595 1.00 44.00 H new ATOM 0 HB2 GLN A 112 -19.212 19.869 -1.085 1.00 53.10 H new ATOM 0 HB3 GLN A 112 -20.941 19.587 -1.050 1.00 53.10 H new ATOM 0 HG2 GLN A 112 -19.686 22.038 0.213 1.00 52.42 H new ATOM 0 HG3 GLN A 112 -20.133 21.988 -1.481 1.00 52.42 H new ATOM 0 HE21 GLN A 112 -21.621 23.724 -1.082 1.00 53.33 H new ATOM 0 HE22 GLN A 112 -23.188 23.402 -0.333 1.00 53.33 H new ATOM 1702 N MET A 113 -19.897 17.066 0.461 1.00 10.42 N ATOM 1703 CA MET A 113 -20.405 15.698 0.431 1.00 64.44 C ATOM 1704 C MET A 113 -20.418 15.093 1.831 1.00 11.55 C ATOM 1705 O MET A 113 -21.152 14.142 2.099 1.00 62.11 O ATOM 1706 CB MET A 113 -19.552 14.836 -0.502 1.00 62.01 C ATOM 1707 CG MET A 113 -20.272 14.426 -1.777 1.00 44.31 C ATOM 1708 SD MET A 113 -19.140 13.865 -3.063 1.00 50.41 S ATOM 1709 CE MET A 113 -19.910 12.320 -3.543 1.00 55.22 C ATOM 0 H MET A 113 -18.939 17.168 0.127 1.00 10.42 H new ATOM 0 HA MET A 113 -21.428 15.724 0.056 1.00 64.44 H new ATOM 0 HB2 MET A 113 -18.648 15.385 -0.765 1.00 62.01 H new ATOM 0 HB3 MET A 113 -19.237 13.940 0.032 1.00 62.01 H new ATOM 0 HG2 MET A 113 -20.981 13.630 -1.550 1.00 44.31 H new ATOM 0 HG3 MET A 113 -20.851 15.271 -2.151 1.00 44.31 H new ATOM 0 HE1 MET A 113 -19.324 11.852 -4.334 1.00 55.22 H new ATOM 0 HE2 MET A 113 -19.956 11.653 -2.682 1.00 55.22 H new ATOM 0 HE3 MET A 113 -20.919 12.514 -3.906 1.00 55.22 H new ATOM 1719 N GLY A 114 -19.603 15.651 2.721 1.00 20.42 N ATOM 1720 CA GLY A 114 -19.538 15.151 4.082 1.00 40.01 C ATOM 1721 C GLY A 114 -18.305 14.304 4.330 1.00 15.35 C ATOM 1722 O GLY A 114 -18.300 13.448 5.217 1.00 24.24 O ATOM 0 H GLY A 114 -18.987 16.440 2.524 1.00 20.42 H new ATOM 0 HA2 GLY A 114 -19.543 15.992 4.775 1.00 40.01 H new ATOM 0 HA3 GLY A 114 -20.429 14.560 4.292 1.00 40.01 H new ATOM 1726 N LEU A 115 -17.260 14.539 3.545 1.00 43.30 N ATOM 1727 CA LEU A 115 -16.016 13.788 3.682 1.00 50.34 C ATOM 1728 C LEU A 115 -14.993 14.575 4.493 1.00 62.54 C ATOM 1729 O LEU A 115 -14.119 13.996 5.138 1.00 41.25 O ATOM 1730 CB LEU A 115 -15.444 13.454 2.303 1.00 12.01 C ATOM 1731 CG LEU A 115 -16.449 12.962 1.261 1.00 52.03 C ATOM 1732 CD1 LEU A 115 -16.498 13.914 0.076 1.00 23.23 C ATOM 1733 CD2 LEU A 115 -16.097 11.554 0.803 1.00 64.54 C ATOM 0 H LEU A 115 -17.249 15.243 2.807 1.00 43.30 H new ATOM 0 HA LEU A 115 -16.236 12.861 4.211 1.00 50.34 H new ATOM 0 HB2 LEU A 115 -14.951 14.344 1.911 1.00 12.01 H new ATOM 0 HB3 LEU A 115 -14.675 12.691 2.426 1.00 12.01 H new ATOM 0 HG LEU A 115 -17.437 12.936 1.721 1.00 52.03 H new ATOM 0 HD11 LEU A 115 -17.218 13.548 -0.655 1.00 23.23 H new ATOM 0 HD12 LEU A 115 -16.799 14.905 0.417 1.00 23.23 H new ATOM 0 HD13 LEU A 115 -15.512 13.973 -0.384 1.00 23.23 H new ATOM 0 HD21 LEU A 115 -16.823 11.220 0.062 1.00 64.54 H new ATOM 0 HD22 LEU A 115 -15.101 11.554 0.361 1.00 64.54 H new ATOM 0 HD23 LEU A 115 -16.115 10.878 1.658 1.00 64.54 H new