USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=17 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 18 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Set 1.2: A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 56 THR OG1 : rot -99:sc= 0.721 USER MOD Set 2.2: A 59 GLN : amide:sc= -1.19 K(o=-0.47,f=-12!) USER MOD Single : A 10 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.408) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -110:sc= 1.23 USER MOD Single : A 17 SER OG : rot 37:sc= 0.0843 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.51 K(o=-1.5,f=-3!) USER MOD Single : A 45 SER OG : rot 102:sc= 1.2 USER MOD Single : A 46 THR OG1 : rot 28:sc= 0.92 USER MOD Single : A 65 CYS SG : rot 88:sc= 0.158 USER MOD Single : A 68 GLN : amide:sc= -1.48 K(o=-1.5,f=-3!) USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0.392 (180deg=0.376) USER MOD Single : A 76 SER OG : rot 180:sc= 0.096 USER MOD Single : A 77 SER OG : rot 140:sc= 0.714 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 73:sc=-0.00874 USER MOD Single : A 88 LYS NZ :NH3+ -174:sc= -2.64! (180deg=-3.03!) USER MOD Single : A 97 ASN : amide:sc= -0.0351 K(o=-0.035,f=-0.62) USER MOD Single : A 99 THR OG1 : rot -140:sc= -0.545 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 108 ASN : amide:sc=-0.00204 X(o=-0.002,f=0.026) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 6 3.523 3.838 -9.703 1.00 21.44 N ATOM 47 CA GLY A 6 2.492 2.979 -10.253 1.00 61.31 C ATOM 48 C GLY A 6 1.585 3.710 -11.223 1.00 20.44 C ATOM 49 O GLY A 6 1.793 4.889 -11.509 1.00 61.12 O ATOM 0 HA2 GLY A 6 2.959 2.136 -10.762 1.00 61.31 H new ATOM 0 HA3 GLY A 6 1.894 2.568 -9.440 1.00 61.31 H new ATOM 53 N ARG A 7 0.575 3.010 -11.730 1.00 25.50 N ATOM 54 CA ARG A 7 -0.365 3.599 -12.675 1.00 12.14 C ATOM 55 C ARG A 7 -1.231 4.655 -11.993 1.00 43.55 C ATOM 56 O ARG A 7 -1.218 5.824 -12.377 1.00 55.20 O ATOM 57 CB ARG A 7 -1.252 2.513 -13.287 1.00 14.33 C ATOM 58 CG ARG A 7 -0.777 2.036 -14.650 1.00 53.10 C ATOM 59 CD ARG A 7 0.361 1.034 -14.523 1.00 33.41 C ATOM 60 NE ARG A 7 0.552 0.265 -15.750 1.00 14.03 N ATOM 61 CZ ARG A 7 1.353 -0.791 -15.837 1.00 51.53 C ATOM 62 NH1 ARG A 7 2.032 -1.202 -14.776 1.00 31.21 N ATOM 63 NH2 ARG A 7 1.475 -1.438 -16.990 1.00 32.32 N ATOM 0 H ARG A 7 0.387 2.034 -11.502 1.00 25.50 H new ATOM 0 HA ARG A 7 0.207 4.080 -13.468 1.00 12.14 H new ATOM 0 HB2 ARG A 7 -1.292 1.662 -12.607 1.00 14.33 H new ATOM 0 HB3 ARG A 7 -2.269 2.895 -13.379 1.00 14.33 H new ATOM 0 HG2 ARG A 7 -1.608 1.579 -15.187 1.00 53.10 H new ATOM 0 HG3 ARG A 7 -0.447 2.890 -15.241 1.00 53.10 H new ATOM 0 HD2 ARG A 7 1.283 1.562 -14.278 1.00 33.41 H new ATOM 0 HD3 ARG A 7 0.154 0.353 -13.697 1.00 33.41 H new ATOM 0 HE ARG A 7 0.043 0.555 -16.585 1.00 14.03 H new ATOM 0 HH11 ARG A 7 1.940 -0.707 -13.889 1.00 31.21 H new ATOM 0 HH12 ARG A 7 2.646 -2.013 -14.846 1.00 31.21 H new ATOM 0 HH21 ARG A 7 0.954 -1.124 -17.809 1.00 32.32 H new ATOM 0 HH22 ARG A 7 2.090 -2.249 -17.057 1.00 32.32 H new ATOM 77 N ASP A 8 -1.981 4.233 -10.982 1.00 54.00 N ATOM 78 CA ASP A 8 -2.854 5.142 -10.247 1.00 65.22 C ATOM 79 C ASP A 8 -2.067 6.331 -9.705 1.00 4.04 C ATOM 80 O ASP A 8 -2.610 7.422 -9.534 1.00 12.04 O ATOM 81 CB ASP A 8 -3.542 4.404 -9.098 1.00 32.41 C ATOM 82 CG ASP A 8 -4.907 3.871 -9.488 1.00 73.00 C ATOM 83 OD1 ASP A 8 -5.685 4.626 -10.107 1.00 11.14 O ATOM 84 OD2 ASP A 8 -5.197 2.697 -9.174 1.00 41.52 O ATOM 0 H ASP A 8 -2.003 3.268 -10.652 1.00 54.00 H new ATOM 0 HA ASP A 8 -3.613 5.514 -10.935 1.00 65.22 H new ATOM 0 HB2 ASP A 8 -2.912 3.577 -8.772 1.00 32.41 H new ATOM 0 HB3 ASP A 8 -3.648 5.078 -8.248 1.00 32.41 H new ATOM 89 N TRP A 9 -0.785 6.111 -9.435 1.00 3.34 N ATOM 90 CA TRP A 9 0.077 7.165 -8.911 1.00 14.23 C ATOM 91 C TRP A 9 0.305 8.252 -9.956 1.00 64.32 C ATOM 92 O TRP A 9 -0.031 9.416 -9.738 1.00 51.33 O ATOM 93 CB TRP A 9 1.418 6.580 -8.464 1.00 64.00 C ATOM 94 CG TRP A 9 2.143 7.444 -7.477 1.00 41.30 C ATOM 95 CD1 TRP A 9 3.430 7.892 -7.570 1.00 22.12 C ATOM 96 CD2 TRP A 9 1.624 7.961 -6.247 1.00 33.01 C ATOM 97 NE1 TRP A 9 3.742 8.656 -6.472 1.00 14.32 N ATOM 98 CE2 TRP A 9 2.650 8.716 -5.646 1.00 64.52 C ATOM 99 CE3 TRP A 9 0.391 7.864 -5.597 1.00 61.45 C ATOM 100 CZ2 TRP A 9 2.480 9.364 -4.426 1.00 4.44 C ATOM 101 CZ3 TRP A 9 0.224 8.508 -4.385 1.00 53.14 C ATOM 102 CH2 TRP A 9 1.263 9.251 -3.811 1.00 50.12 C ATOM 0 H TRP A 9 -0.320 5.213 -9.570 1.00 3.34 H new ATOM 0 HA TRP A 9 -0.421 7.613 -8.051 1.00 14.23 H new ATOM 0 HB2 TRP A 9 1.249 5.598 -8.021 1.00 64.00 H new ATOM 0 HB3 TRP A 9 2.051 6.430 -9.339 1.00 64.00 H new ATOM 0 HD1 TRP A 9 4.103 7.677 -8.387 1.00 22.12 H new ATOM 0 HE1 TRP A 9 4.641 9.106 -6.299 1.00 14.32 H new ATOM 0 HE3 TRP A 9 -0.417 7.296 -6.034 1.00 61.45 H new ATOM 0 HZ2 TRP A 9 3.281 9.936 -3.980 1.00 4.44 H new ATOM 0 HZ3 TRP A 9 -0.724 8.437 -3.872 1.00 53.14 H new ATOM 0 HH2 TRP A 9 1.100 9.745 -2.864 1.00 50.12 H new ATOM 113 N LYS A 10 0.878 7.865 -11.090 1.00 74.51 N ATOM 114 CA LYS A 10 1.149 8.806 -12.170 1.00 44.44 C ATOM 115 C LYS A 10 -0.125 9.526 -12.599 1.00 71.14 C ATOM 116 O LYS A 10 -0.119 10.734 -12.829 1.00 1.02 O ATOM 117 CB LYS A 10 1.764 8.077 -13.368 1.00 32.21 C ATOM 118 CG LYS A 10 2.273 9.009 -14.452 1.00 4.45 C ATOM 119 CD LYS A 10 2.969 8.243 -15.564 1.00 44.53 C ATOM 120 CE LYS A 10 4.478 8.218 -15.365 1.00 33.01 C ATOM 121 NZ LYS A 10 4.899 7.112 -14.461 1.00 75.25 N ATOM 0 H LYS A 10 1.164 6.906 -11.285 1.00 74.51 H new ATOM 0 HA LYS A 10 1.857 9.548 -11.801 1.00 44.44 H new ATOM 0 HB2 LYS A 10 2.588 7.455 -13.020 1.00 32.21 H new ATOM 0 HB3 LYS A 10 1.018 7.408 -13.797 1.00 32.21 H new ATOM 0 HG2 LYS A 10 1.440 9.576 -14.866 1.00 4.45 H new ATOM 0 HG3 LYS A 10 2.965 9.730 -14.017 1.00 4.45 H new ATOM 0 HD2 LYS A 10 2.588 7.222 -15.597 1.00 44.53 H new ATOM 0 HD3 LYS A 10 2.735 8.702 -16.525 1.00 44.53 H new ATOM 0 HE2 LYS A 10 4.970 8.105 -16.331 1.00 33.01 H new ATOM 0 HE3 LYS A 10 4.806 9.171 -14.950 1.00 33.01 H new ATOM 0 HZ1 LYS A 10 5.916 6.931 -14.584 1.00 75.25 H new ATOM 0 HZ2 LYS A 10 4.713 7.381 -13.474 1.00 75.25 H new ATOM 0 HZ3 LYS A 10 4.363 6.251 -14.693 1.00 75.25 H new ATOM 135 N MET A 11 -1.216 8.774 -12.703 1.00 75.20 N ATOM 136 CA MET A 11 -2.499 9.342 -13.102 1.00 34.50 C ATOM 137 C MET A 11 -2.993 10.349 -12.068 1.00 21.34 C ATOM 138 O MET A 11 -3.646 11.334 -12.410 1.00 50.23 O ATOM 139 CB MET A 11 -3.536 8.233 -13.286 1.00 33.34 C ATOM 140 CG MET A 11 -3.340 7.421 -14.556 1.00 24.22 C ATOM 141 SD MET A 11 -4.848 6.591 -15.090 1.00 75.12 S ATOM 142 CE MET A 11 -4.561 4.934 -14.472 1.00 41.41 C ATOM 0 H MET A 11 -1.238 7.771 -12.517 1.00 75.20 H new ATOM 0 HA MET A 11 -2.359 9.861 -14.050 1.00 34.50 H new ATOM 0 HB2 MET A 11 -3.496 7.563 -12.427 1.00 33.34 H new ATOM 0 HB3 MET A 11 -4.532 8.676 -13.298 1.00 33.34 H new ATOM 0 HG2 MET A 11 -2.990 8.078 -15.352 1.00 24.22 H new ATOM 0 HG3 MET A 11 -2.560 6.678 -14.391 1.00 24.22 H new ATOM 0 HE1 MET A 11 -5.410 4.299 -14.725 1.00 41.41 H new ATOM 0 HE2 MET A 11 -3.657 4.528 -14.925 1.00 41.41 H new ATOM 0 HE3 MET A 11 -4.441 4.965 -13.389 1.00 41.41 H new ATOM 152 N ALA A 12 -2.675 10.095 -10.802 1.00 72.13 N ATOM 153 CA ALA A 12 -3.085 10.981 -9.719 1.00 52.04 C ATOM 154 C ALA A 12 -2.420 12.347 -9.847 1.00 24.33 C ATOM 155 O ALA A 12 -3.079 13.381 -9.732 1.00 62.11 O ATOM 156 CB ALA A 12 -2.756 10.355 -8.373 1.00 75.52 C ATOM 0 H ALA A 12 -2.135 9.283 -10.502 1.00 72.13 H new ATOM 0 HA ALA A 12 -4.164 11.124 -9.787 1.00 52.04 H new ATOM 0 HB1 ALA A 12 -3.067 11.027 -7.573 1.00 75.52 H new ATOM 0 HB2 ALA A 12 -3.283 9.406 -8.275 1.00 75.52 H new ATOM 0 HB3 ALA A 12 -1.682 10.183 -8.305 1.00 75.52 H new ATOM 162 N ILE A 13 -1.112 12.344 -10.083 1.00 32.11 N ATOM 163 CA ILE A 13 -0.359 13.584 -10.226 1.00 61.42 C ATOM 164 C ILE A 13 -0.679 14.273 -11.547 1.00 55.32 C ATOM 165 O ILE A 13 -0.811 15.495 -11.608 1.00 23.44 O ATOM 166 CB ILE A 13 1.158 13.333 -10.144 1.00 41.50 C ATOM 167 CG1 ILE A 13 1.519 12.677 -8.811 1.00 32.43 C ATOM 168 CG2 ILE A 13 1.920 14.637 -10.323 1.00 23.21 C ATOM 169 CD1 ILE A 13 1.251 13.559 -7.612 1.00 10.04 C ATOM 0 H ILE A 13 -0.552 11.497 -10.179 1.00 32.11 H new ATOM 0 HA ILE A 13 -0.657 14.231 -9.401 1.00 61.42 H new ATOM 0 HB ILE A 13 1.443 12.655 -10.948 1.00 41.50 H new ATOM 0 HG12 ILE A 13 0.952 11.752 -8.705 1.00 32.43 H new ATOM 0 HG13 ILE A 13 2.574 12.405 -8.823 1.00 32.43 H new ATOM 0 HG21 ILE A 13 2.991 14.444 -10.263 1.00 23.21 H new ATOM 0 HG22 ILE A 13 1.683 15.066 -11.297 1.00 23.21 H new ATOM 0 HG23 ILE A 13 1.633 15.337 -9.538 1.00 23.21 H new ATOM 0 HD11 ILE A 13 1.530 13.030 -6.701 1.00 10.04 H new ATOM 0 HD12 ILE A 13 1.838 14.474 -7.695 1.00 10.04 H new ATOM 0 HD13 ILE A 13 0.191 13.810 -7.575 1.00 10.04 H new ATOM 181 N LYS A 14 -0.807 13.479 -12.606 1.00 23.11 N ATOM 182 CA LYS A 14 -1.115 14.011 -13.928 1.00 12.33 C ATOM 183 C LYS A 14 -2.515 14.615 -13.959 1.00 3.22 C ATOM 184 O LYS A 14 -2.691 15.782 -14.313 1.00 42.34 O ATOM 185 CB LYS A 14 -1.001 12.908 -14.983 1.00 13.43 C ATOM 186 CG LYS A 14 0.419 12.673 -15.466 1.00 61.14 C ATOM 187 CD LYS A 14 0.468 11.620 -16.562 1.00 32.24 C ATOM 188 CE LYS A 14 0.470 12.254 -17.944 1.00 42.23 C ATOM 189 NZ LYS A 14 -0.281 11.432 -18.933 1.00 62.12 N ATOM 0 H LYS A 14 -0.702 12.465 -12.574 1.00 23.11 H new ATOM 0 HA LYS A 14 -0.394 14.797 -14.153 1.00 12.33 H new ATOM 0 HB2 LYS A 14 -1.393 11.979 -14.569 1.00 13.43 H new ATOM 0 HB3 LYS A 14 -1.628 13.167 -15.836 1.00 13.43 H new ATOM 0 HG2 LYS A 14 0.837 13.608 -15.839 1.00 61.14 H new ATOM 0 HG3 LYS A 14 1.042 12.358 -14.629 1.00 61.14 H new ATOM 0 HD2 LYS A 14 1.362 11.008 -16.440 1.00 32.24 H new ATOM 0 HD3 LYS A 14 -0.390 10.954 -16.467 1.00 32.24 H new ATOM 0 HE2 LYS A 14 0.027 13.249 -17.888 1.00 42.23 H new ATOM 0 HE3 LYS A 14 1.498 12.381 -18.284 1.00 42.23 H new ATOM 0 HZ1 LYS A 14 -0.256 11.898 -19.862 1.00 62.12 H new ATOM 0 HZ2 LYS A 14 0.156 10.491 -19.006 1.00 62.12 H new ATOM 0 HZ3 LYS A 14 -1.268 11.332 -18.622 1.00 62.12 H new ATOM 203 N ARG A 15 -3.508 13.817 -13.583 1.00 61.35 N ATOM 204 CA ARG A 15 -4.893 14.274 -13.567 1.00 71.15 C ATOM 205 C ARG A 15 -5.041 15.527 -12.708 1.00 55.14 C ATOM 206 O ARG A 15 -5.694 16.491 -13.109 1.00 23.44 O ATOM 207 CB ARG A 15 -5.811 13.169 -13.041 1.00 21.10 C ATOM 208 CG ARG A 15 -5.976 12.005 -14.003 1.00 63.34 C ATOM 209 CD ARG A 15 -6.775 10.873 -13.375 1.00 53.43 C ATOM 210 NE ARG A 15 -6.893 9.724 -14.271 1.00 30.24 N ATOM 211 CZ ARG A 15 -7.747 9.670 -15.286 1.00 72.10 C ATOM 212 NH1 ARG A 15 -8.553 10.693 -15.535 1.00 34.30 N ATOM 213 NH2 ARG A 15 -7.796 8.590 -16.056 1.00 63.03 N ATOM 0 H ARG A 15 -3.380 12.850 -13.285 1.00 61.35 H new ATOM 0 HA ARG A 15 -5.181 14.519 -14.589 1.00 71.15 H new ATOM 0 HB2 ARG A 15 -5.413 12.796 -12.098 1.00 21.10 H new ATOM 0 HB3 ARG A 15 -6.792 13.594 -12.827 1.00 21.10 H new ATOM 0 HG2 ARG A 15 -6.478 12.348 -14.908 1.00 63.34 H new ATOM 0 HG3 ARG A 15 -4.995 11.637 -14.302 1.00 63.34 H new ATOM 0 HD2 ARG A 15 -6.295 10.562 -12.447 1.00 53.43 H new ATOM 0 HD3 ARG A 15 -7.770 11.233 -13.114 1.00 53.43 H new ATOM 0 HE ARG A 15 -6.286 8.920 -14.108 1.00 30.24 H new ATOM 0 HH11 ARG A 15 -8.518 11.525 -14.946 1.00 34.30 H new ATOM 0 HH12 ARG A 15 -9.208 10.648 -16.316 1.00 34.30 H new ATOM 0 HH21 ARG A 15 -7.177 7.801 -15.868 1.00 63.03 H new ATOM 0 HH22 ARG A 15 -8.452 8.549 -16.836 1.00 63.03 H new ATOM 227 N CYS A 16 -4.433 15.503 -11.528 1.00 24.22 N ATOM 228 CA CYS A 16 -4.499 16.637 -10.612 1.00 72.35 C ATOM 229 C CYS A 16 -3.841 17.869 -11.224 1.00 23.41 C ATOM 230 O CYS A 16 -4.251 18.999 -10.959 1.00 42.31 O ATOM 231 CB CYS A 16 -3.822 16.287 -9.286 1.00 72.12 C ATOM 232 SG CYS A 16 -4.233 17.409 -7.929 1.00 62.51 S ATOM 0 H CYS A 16 -3.889 14.712 -11.183 1.00 24.22 H new ATOM 0 HA CYS A 16 -5.549 16.863 -10.427 1.00 72.35 H new ATOM 0 HB2 CYS A 16 -4.104 15.273 -9.003 1.00 72.12 H new ATOM 0 HB3 CYS A 16 -2.742 16.289 -9.430 1.00 72.12 H new ATOM 0 HG CYS A 16 -3.189 18.120 -7.622 1.00 62.51 H new ATOM 238 N SER A 17 -2.818 17.643 -12.040 1.00 43.55 N ATOM 239 CA SER A 17 -2.099 18.736 -12.685 1.00 40.24 C ATOM 240 C SER A 17 -3.054 19.616 -13.486 1.00 23.14 C ATOM 241 O SER A 17 -2.791 20.799 -13.702 1.00 43.52 O ATOM 242 CB SER A 17 -1.007 18.184 -13.603 1.00 43.51 C ATOM 243 OG SER A 17 -0.015 19.163 -13.862 1.00 61.40 O ATOM 0 H SER A 17 -2.468 16.713 -12.271 1.00 43.55 H new ATOM 0 HA SER A 17 -1.638 19.344 -11.907 1.00 40.24 H new ATOM 0 HB2 SER A 17 -0.548 17.310 -13.142 1.00 43.51 H new ATOM 0 HB3 SER A 17 -1.450 17.853 -14.542 1.00 43.51 H new ATOM 0 HG SER A 17 0.139 19.694 -13.053 1.00 61.40 H new ATOM 249 N ASN A 18 -4.164 19.031 -13.922 1.00 21.12 N ATOM 250 CA ASN A 18 -5.159 19.761 -14.699 1.00 2.53 C ATOM 251 C ASN A 18 -5.951 20.715 -13.809 1.00 54.44 C ATOM 252 O ASN A 18 -6.472 21.728 -14.276 1.00 52.13 O ATOM 253 CB ASN A 18 -6.111 18.785 -15.394 1.00 1.25 C ATOM 254 CG ASN A 18 -6.407 19.186 -16.826 1.00 2.33 C ATOM 255 OD1 ASN A 18 -5.499 19.301 -17.650 1.00 74.45 O ATOM 256 ND2 ASN A 18 -7.681 19.404 -17.129 1.00 2.00 N ATOM 0 H ASN A 18 -4.398 18.053 -13.751 1.00 21.12 H new ATOM 0 HA ASN A 18 -4.635 20.347 -15.454 1.00 2.53 H new ATOM 0 HB2 ASN A 18 -5.675 17.786 -15.382 1.00 1.25 H new ATOM 0 HB3 ASN A 18 -7.045 18.732 -14.834 1.00 1.25 H new ATOM 0 HD21 ASN A 18 -7.940 19.679 -18.077 1.00 2.00 H new ATOM 0 HD22 ASN A 18 -8.401 19.297 -16.414 1.00 2.00 H new ATOM 263 N VAL A 19 -6.037 20.383 -12.525 1.00 23.23 N ATOM 264 CA VAL A 19 -6.763 21.211 -11.569 1.00 60.42 C ATOM 265 C VAL A 19 -6.071 22.553 -11.367 1.00 4.44 C ATOM 266 O VAL A 19 -4.861 22.613 -11.148 1.00 42.52 O ATOM 267 CB VAL A 19 -6.900 20.506 -10.207 1.00 24.41 C ATOM 268 CG1 VAL A 19 -7.821 21.293 -9.288 1.00 21.32 C ATOM 269 CG2 VAL A 19 -7.407 19.084 -10.392 1.00 64.32 C ATOM 0 H VAL A 19 -5.613 19.547 -12.123 1.00 23.23 H new ATOM 0 HA VAL A 19 -7.757 21.378 -11.985 1.00 60.42 H new ATOM 0 HB VAL A 19 -5.915 20.459 -9.742 1.00 24.41 H new ATOM 0 HG11 VAL A 19 -7.905 20.779 -8.330 1.00 21.32 H new ATOM 0 HG12 VAL A 19 -7.411 22.291 -9.130 1.00 21.32 H new ATOM 0 HG13 VAL A 19 -8.808 21.374 -9.744 1.00 21.32 H new ATOM 0 HG21 VAL A 19 -7.498 18.601 -9.419 1.00 64.32 H new ATOM 0 HG22 VAL A 19 -8.382 19.106 -10.879 1.00 64.32 H new ATOM 0 HG23 VAL A 19 -6.705 18.525 -11.011 1.00 64.32 H new ATOM 279 N ALA A 20 -6.846 23.631 -11.440 1.00 61.43 N ATOM 280 CA ALA A 20 -6.308 24.973 -11.263 1.00 32.13 C ATOM 281 C ALA A 20 -6.128 25.301 -9.784 1.00 51.41 C ATOM 282 O ALA A 20 -7.098 25.352 -9.027 1.00 45.22 O ATOM 283 CB ALA A 20 -7.216 25.998 -11.925 1.00 55.43 C ATOM 0 H ALA A 20 -7.849 23.600 -11.621 1.00 61.43 H new ATOM 0 HA ALA A 20 -5.328 25.010 -11.740 1.00 32.13 H new ATOM 0 HB1 ALA A 20 -6.801 26.996 -11.784 1.00 55.43 H new ATOM 0 HB2 ALA A 20 -7.291 25.783 -12.991 1.00 55.43 H new ATOM 0 HB3 ALA A 20 -8.207 25.950 -11.475 1.00 55.43 H new ATOM 289 N VAL A 21 -4.882 25.524 -9.380 1.00 63.53 N ATOM 290 CA VAL A 21 -4.575 25.847 -7.991 1.00 22.23 C ATOM 291 C VAL A 21 -5.341 27.083 -7.533 1.00 3.35 C ATOM 292 O VAL A 21 -5.643 27.237 -6.350 1.00 51.11 O ATOM 293 CB VAL A 21 -3.067 26.089 -7.791 1.00 63.42 C ATOM 294 CG1 VAL A 21 -2.738 26.218 -6.311 1.00 54.41 C ATOM 295 CG2 VAL A 21 -2.259 24.967 -8.429 1.00 33.13 C ATOM 0 H VAL A 21 -4.069 25.487 -9.994 1.00 63.53 H new ATOM 0 HA VAL A 21 -4.881 24.990 -7.391 1.00 22.23 H new ATOM 0 HB VAL A 21 -2.798 27.025 -8.281 1.00 63.42 H new ATOM 0 HG11 VAL A 21 -1.668 26.389 -6.190 1.00 54.41 H new ATOM 0 HG12 VAL A 21 -3.290 27.057 -5.887 1.00 54.41 H new ATOM 0 HG13 VAL A 21 -3.020 25.301 -5.794 1.00 54.41 H new ATOM 0 HG21 VAL A 21 -1.196 25.153 -8.279 1.00 33.13 H new ATOM 0 HG22 VAL A 21 -2.529 24.017 -7.969 1.00 33.13 H new ATOM 0 HG23 VAL A 21 -2.473 24.927 -9.497 1.00 33.13 H new ATOM 375 N LYS A 28 -2.679 28.991 -12.312 1.00 10.22 N ATOM 376 CA LYS A 28 -1.723 28.002 -11.829 1.00 32.21 C ATOM 377 C LYS A 28 -2.328 26.601 -11.859 1.00 52.20 C ATOM 378 O LYS A 28 -3.548 26.441 -11.894 1.00 12.33 O ATOM 379 CB LYS A 28 -1.276 28.345 -10.406 1.00 53.43 C ATOM 380 CG LYS A 28 0.159 28.836 -10.322 1.00 32.25 C ATOM 381 CD LYS A 28 1.143 27.679 -10.297 1.00 22.04 C ATOM 382 CE LYS A 28 2.230 27.894 -9.254 1.00 74.30 C ATOM 383 NZ LYS A 28 2.013 27.050 -8.046 1.00 44.42 N ATOM 0 HA LYS A 28 -0.856 28.020 -12.489 1.00 32.21 H new ATOM 0 HB2 LYS A 28 -1.938 29.111 -10.001 1.00 53.43 H new ATOM 0 HB3 LYS A 28 -1.387 27.462 -9.776 1.00 53.43 H new ATOM 0 HG2 LYS A 28 0.375 29.480 -11.175 1.00 32.25 H new ATOM 0 HG3 LYS A 28 0.285 29.442 -9.425 1.00 32.25 H new ATOM 0 HD2 LYS A 28 0.611 26.752 -10.084 1.00 22.04 H new ATOM 0 HD3 LYS A 28 1.598 27.566 -11.281 1.00 22.04 H new ATOM 0 HE2 LYS A 28 3.202 27.662 -9.689 1.00 74.30 H new ATOM 0 HE3 LYS A 28 2.253 28.944 -8.964 1.00 74.30 H new ATOM 0 HZ1 LYS A 28 2.774 27.225 -7.359 1.00 44.42 H new ATOM 0 HZ2 LYS A 28 1.097 27.289 -7.616 1.00 44.42 H new ATOM 0 HZ3 LYS A 28 2.017 26.046 -8.319 1.00 44.42 H new ATOM 397 N LYS A 29 -1.467 25.589 -11.843 1.00 52.41 N ATOM 398 CA LYS A 29 -1.915 24.203 -11.866 1.00 72.44 C ATOM 399 C LYS A 29 -1.150 23.366 -10.844 1.00 4.25 C ATOM 400 O LYS A 29 0.045 23.571 -10.631 1.00 22.43 O ATOM 401 CB LYS A 29 -1.733 23.609 -13.265 1.00 63.31 C ATOM 402 CG LYS A 29 -2.990 23.662 -14.116 1.00 21.14 C ATOM 403 CD LYS A 29 -2.713 23.233 -15.548 1.00 24.53 C ATOM 404 CE LYS A 29 -2.433 24.431 -16.443 1.00 73.43 C ATOM 405 NZ LYS A 29 -3.648 24.859 -17.191 1.00 34.21 N ATOM 0 H LYS A 29 -0.454 25.704 -11.814 1.00 52.41 H new ATOM 0 HA LYS A 29 -2.973 24.186 -11.605 1.00 72.44 H new ATOM 0 HB2 LYS A 29 -0.934 24.146 -13.777 1.00 63.31 H new ATOM 0 HB3 LYS A 29 -1.411 22.572 -13.171 1.00 63.31 H new ATOM 0 HG2 LYS A 29 -3.752 23.014 -13.682 1.00 21.14 H new ATOM 0 HG3 LYS A 29 -3.392 24.675 -14.110 1.00 21.14 H new ATOM 0 HD2 LYS A 29 -1.860 22.555 -15.568 1.00 24.53 H new ATOM 0 HD3 LYS A 29 -3.568 22.680 -15.935 1.00 24.53 H new ATOM 0 HE2 LYS A 29 -2.069 25.260 -15.837 1.00 73.43 H new ATOM 0 HE3 LYS A 29 -1.641 24.180 -17.149 1.00 73.43 H new ATOM 0 HZ1 LYS A 29 -3.417 25.678 -17.790 1.00 34.21 H new ATOM 0 HZ2 LYS A 29 -3.981 24.076 -17.789 1.00 34.21 H new ATOM 0 HZ3 LYS A 29 -4.395 25.123 -16.518 1.00 34.21 H new ATOM 419 N PHE A 30 -1.846 22.424 -10.217 1.00 11.11 N ATOM 420 CA PHE A 30 -1.232 21.557 -9.219 1.00 3.24 C ATOM 421 C PHE A 30 -0.021 20.832 -9.798 1.00 11.22 C ATOM 422 O PHE A 30 0.056 20.596 -11.004 1.00 23.12 O ATOM 423 CB PHE A 30 -2.250 20.540 -8.700 1.00 34.54 C ATOM 424 CG PHE A 30 -2.186 20.331 -7.214 1.00 3.01 C ATOM 425 CD1 PHE A 30 -2.697 21.282 -6.345 1.00 64.44 C ATOM 426 CD2 PHE A 30 -1.615 19.185 -6.686 1.00 45.03 C ATOM 427 CE1 PHE A 30 -2.639 21.093 -4.977 1.00 34.40 C ATOM 428 CE2 PHE A 30 -1.555 18.990 -5.319 1.00 21.14 C ATOM 429 CZ PHE A 30 -2.067 19.946 -4.464 1.00 61.51 C ATOM 0 H PHE A 30 -2.836 22.242 -10.382 1.00 11.11 H new ATOM 0 HA PHE A 30 -0.897 22.181 -8.390 1.00 3.24 H new ATOM 0 HB2 PHE A 30 -3.253 20.872 -8.969 1.00 34.54 H new ATOM 0 HB3 PHE A 30 -2.085 19.586 -9.200 1.00 34.54 H new ATOM 0 HD1 PHE A 30 -3.146 22.181 -6.741 1.00 64.44 H new ATOM 0 HD2 PHE A 30 -1.212 18.435 -7.350 1.00 45.03 H new ATOM 0 HE1 PHE A 30 -3.041 21.842 -4.310 1.00 34.40 H new ATOM 0 HE2 PHE A 30 -1.108 18.091 -4.920 1.00 21.14 H new ATOM 0 HZ PHE A 30 -2.020 19.797 -3.395 1.00 61.51 H new ATOM 439 N GLY A 31 0.923 20.482 -8.930 1.00 55.25 N ATOM 440 CA GLY A 31 2.118 19.787 -9.374 1.00 50.43 C ATOM 441 C GLY A 31 2.461 18.603 -8.492 1.00 52.35 C ATOM 442 O GLY A 31 1.659 18.192 -7.656 1.00 73.54 O ATOM 0 H GLY A 31 0.882 20.667 -7.928 1.00 55.25 H new ATOM 0 HA2 GLY A 31 1.975 19.444 -10.399 1.00 50.43 H new ATOM 0 HA3 GLY A 31 2.957 20.483 -9.385 1.00 50.43 H new ATOM 446 N GLU A 32 3.656 18.053 -8.682 1.00 44.35 N ATOM 447 CA GLU A 32 4.102 16.906 -7.899 1.00 52.13 C ATOM 448 C GLU A 32 4.853 17.359 -6.651 1.00 0.21 C ATOM 449 O GLU A 32 4.684 16.793 -5.571 1.00 40.33 O ATOM 450 CB GLU A 32 4.998 15.999 -8.746 1.00 1.05 C ATOM 451 CG GLU A 32 6.241 16.694 -9.275 1.00 51.41 C ATOM 452 CD GLU A 32 7.058 15.808 -10.195 1.00 61.13 C ATOM 453 OE1 GLU A 32 7.452 16.283 -11.281 1.00 63.11 O ATOM 454 OE2 GLU A 32 7.302 14.639 -9.830 1.00 54.44 O ATOM 0 H GLU A 32 4.332 18.383 -9.371 1.00 44.35 H new ATOM 0 HA GLU A 32 3.220 16.345 -7.588 1.00 52.13 H new ATOM 0 HB2 GLU A 32 5.300 15.139 -8.148 1.00 1.05 H new ATOM 0 HB3 GLU A 32 4.421 15.615 -9.587 1.00 1.05 H new ATOM 0 HG2 GLU A 32 5.948 17.596 -9.812 1.00 51.41 H new ATOM 0 HG3 GLU A 32 6.861 17.010 -8.436 1.00 51.41 H new ATOM 461 N GLY A 33 5.685 18.384 -6.808 1.00 25.25 N ATOM 462 CA GLY A 33 6.451 18.897 -5.686 1.00 73.23 C ATOM 463 C GLY A 33 5.567 19.376 -4.551 1.00 53.23 C ATOM 464 O GLY A 33 5.802 19.045 -3.390 1.00 63.31 O ATOM 0 H GLY A 33 5.843 18.868 -7.692 1.00 25.25 H new ATOM 0 HA2 GLY A 33 7.118 18.117 -5.319 1.00 73.23 H new ATOM 0 HA3 GLY A 33 7.080 19.720 -6.025 1.00 73.23 H new ATOM 468 N ASN A 34 4.549 20.160 -4.888 1.00 13.22 N ATOM 469 CA ASN A 34 3.628 20.688 -3.888 1.00 0.32 C ATOM 470 C ASN A 34 2.882 19.559 -3.185 1.00 61.22 C ATOM 471 O ASN A 34 2.670 19.600 -1.972 1.00 65.24 O ATOM 472 CB ASN A 34 2.629 21.646 -4.540 1.00 14.31 C ATOM 473 CG ASN A 34 3.138 23.074 -4.581 1.00 73.34 C ATOM 474 OD1 ASN A 34 2.693 23.926 -3.810 1.00 51.44 O ATOM 475 ND2 ASN A 34 4.075 23.342 -5.483 1.00 24.14 N ATOM 0 H ASN A 34 4.341 20.444 -5.845 1.00 13.22 H new ATOM 0 HA ASN A 34 4.211 21.232 -3.145 1.00 0.32 H new ATOM 0 HB2 ASN A 34 2.417 21.310 -5.555 1.00 14.31 H new ATOM 0 HB3 ASN A 34 1.688 21.614 -3.991 1.00 14.31 H new ATOM 0 HD21 ASN A 34 4.456 24.285 -5.558 1.00 24.14 H new ATOM 0 HD22 ASN A 34 4.414 22.605 -6.101 1.00 24.14 H new ATOM 482 N PHE A 35 2.486 18.550 -3.953 1.00 54.45 N ATOM 483 CA PHE A 35 1.762 17.408 -3.404 1.00 44.43 C ATOM 484 C PHE A 35 2.580 16.721 -2.314 1.00 31.34 C ATOM 485 O PHE A 35 2.045 16.336 -1.274 1.00 22.44 O ATOM 486 CB PHE A 35 1.429 16.408 -4.513 1.00 13.31 C ATOM 487 CG PHE A 35 0.922 15.092 -4.000 1.00 73.14 C ATOM 488 CD1 PHE A 35 -0.260 15.021 -3.281 1.00 51.04 C ATOM 489 CD2 PHE A 35 1.629 13.923 -4.236 1.00 55.40 C ATOM 490 CE1 PHE A 35 -0.730 13.811 -2.807 1.00 44.03 C ATOM 491 CE2 PHE A 35 1.163 12.709 -3.766 1.00 64.11 C ATOM 492 CZ PHE A 35 -0.016 12.653 -3.049 1.00 42.14 C ATOM 0 H PHE A 35 2.654 18.499 -4.958 1.00 54.45 H new ATOM 0 HA PHE A 35 0.835 17.774 -2.963 1.00 44.43 H new ATOM 0 HB2 PHE A 35 0.679 16.845 -5.172 1.00 13.31 H new ATOM 0 HB3 PHE A 35 2.321 16.235 -5.115 1.00 13.31 H new ATOM 0 HD1 PHE A 35 -0.822 15.923 -3.088 1.00 51.04 H new ATOM 0 HD2 PHE A 35 2.554 13.961 -4.793 1.00 55.40 H new ATOM 0 HE1 PHE A 35 -1.654 13.771 -2.249 1.00 44.03 H new ATOM 0 HE2 PHE A 35 1.721 11.805 -3.960 1.00 64.11 H new ATOM 0 HZ PHE A 35 -0.379 11.706 -2.678 1.00 42.14 H new ATOM 502 N ARG A 36 3.876 16.571 -2.560 1.00 61.14 N ATOM 503 CA ARG A 36 4.767 15.928 -1.601 1.00 14.25 C ATOM 504 C ARG A 36 4.853 16.739 -0.312 1.00 2.21 C ATOM 505 O ARG A 36 4.627 16.215 0.778 1.00 23.33 O ATOM 506 CB ARG A 36 6.162 15.758 -2.203 1.00 64.13 C ATOM 507 CG ARG A 36 6.152 15.227 -3.627 1.00 54.23 C ATOM 508 CD ARG A 36 7.057 14.015 -3.776 1.00 52.32 C ATOM 509 NE ARG A 36 6.602 12.887 -2.967 1.00 10.50 N ATOM 510 CZ ARG A 36 7.283 11.755 -2.836 1.00 13.10 C ATOM 511 NH1 ARG A 36 8.444 11.599 -3.456 1.00 3.31 N ATOM 512 NH2 ARG A 36 6.802 10.774 -2.081 1.00 42.41 N ATOM 0 H ARG A 36 4.334 16.886 -3.415 1.00 61.14 H new ATOM 0 HA ARG A 36 4.359 14.945 -1.366 1.00 14.25 H new ATOM 0 HB2 ARG A 36 6.675 16.720 -2.187 1.00 64.13 H new ATOM 0 HB3 ARG A 36 6.739 15.079 -1.575 1.00 64.13 H new ATOM 0 HG2 ARG A 36 5.134 14.959 -3.909 1.00 54.23 H new ATOM 0 HG3 ARG A 36 6.477 16.011 -4.311 1.00 54.23 H new ATOM 0 HD2 ARG A 36 7.094 13.717 -4.824 1.00 52.32 H new ATOM 0 HD3 ARG A 36 8.073 14.283 -3.485 1.00 52.32 H new ATOM 0 HE ARG A 36 5.712 12.974 -2.476 1.00 10.50 H new ATOM 0 HH11 ARG A 36 8.817 12.350 -4.036 1.00 3.31 H new ATOM 0 HH12 ARG A 36 8.964 10.728 -3.353 1.00 3.31 H new ATOM 0 HH21 ARG A 36 5.909 10.890 -1.602 1.00 42.41 H new ATOM 0 HH22 ARG A 36 7.325 9.904 -1.980 1.00 42.41 H new ATOM 526 N TRP A 37 5.181 18.020 -0.445 1.00 71.44 N ATOM 527 CA TRP A 37 5.296 18.903 0.709 1.00 24.12 C ATOM 528 C TRP A 37 4.033 18.855 1.561 1.00 3.33 C ATOM 529 O TRP A 37 4.089 19.011 2.781 1.00 53.31 O ATOM 530 CB TRP A 37 5.567 20.337 0.255 1.00 12.14 C ATOM 531 CG TRP A 37 5.399 21.349 1.348 1.00 12.11 C ATOM 532 CD1 TRP A 37 6.387 21.898 2.115 1.00 3.01 C ATOM 533 CD2 TRP A 37 4.170 21.930 1.798 1.00 24.31 C ATOM 534 NE1 TRP A 37 5.846 22.785 3.014 1.00 42.44 N ATOM 535 CE2 TRP A 37 4.488 22.824 2.839 1.00 63.34 C ATOM 536 CE3 TRP A 37 2.832 21.783 1.421 1.00 1.22 C ATOM 537 CZ2 TRP A 37 3.516 23.564 3.506 1.00 4.04 C ATOM 538 CZ3 TRP A 37 1.870 22.519 2.085 1.00 74.04 C ATOM 539 CH2 TRP A 37 2.215 23.401 3.118 1.00 53.11 C ATOM 0 H TRP A 37 5.372 18.469 -1.341 1.00 71.44 H new ATOM 0 HA TRP A 37 6.133 18.558 1.316 1.00 24.12 H new ATOM 0 HB2 TRP A 37 6.582 20.401 -0.136 1.00 12.14 H new ATOM 0 HB3 TRP A 37 4.893 20.584 -0.565 1.00 12.14 H new ATOM 0 HD1 TRP A 37 7.439 21.669 2.028 1.00 3.01 H new ATOM 0 HE1 TRP A 37 6.371 23.327 3.701 1.00 42.44 H new ATOM 0 HE3 TRP A 37 2.556 21.107 0.626 1.00 1.22 H new ATOM 0 HZ2 TRP A 37 3.780 24.244 4.303 1.00 4.04 H new ATOM 0 HZ3 TRP A 37 0.833 22.413 1.803 1.00 74.04 H new ATOM 0 HH2 TRP A 37 1.439 23.962 3.617 1.00 53.11 H new ATOM 550 N ALA A 38 2.894 18.639 0.911 1.00 62.33 N ATOM 551 CA ALA A 38 1.617 18.568 1.609 1.00 20.15 C ATOM 552 C ALA A 38 1.400 17.188 2.219 1.00 61.24 C ATOM 553 O ALA A 38 1.332 17.041 3.440 1.00 11.44 O ATOM 554 CB ALA A 38 0.478 18.914 0.662 1.00 75.10 C ATOM 0 H ALA A 38 2.830 18.510 -0.099 1.00 62.33 H new ATOM 0 HA ALA A 38 1.634 19.296 2.420 1.00 20.15 H new ATOM 0 HB1 ALA A 38 -0.470 18.857 1.197 1.00 75.10 H new ATOM 0 HB2 ALA A 38 0.618 19.925 0.278 1.00 75.10 H new ATOM 0 HB3 ALA A 38 0.469 18.209 -0.169 1.00 75.10 H new ATOM 560 N ILE A 39 1.291 16.178 1.363 1.00 41.23 N ATOM 561 CA ILE A 39 1.083 14.809 1.818 1.00 33.22 C ATOM 562 C ILE A 39 2.090 14.429 2.898 1.00 50.14 C ATOM 563 O ILE A 39 1.780 13.659 3.806 1.00 23.11 O ATOM 564 CB ILE A 39 1.191 13.806 0.655 1.00 72.14 C ATOM 565 CG1 ILE A 39 0.741 12.415 1.108 1.00 0.12 C ATOM 566 CG2 ILE A 39 2.617 13.761 0.125 1.00 23.42 C ATOM 567 CD1 ILE A 39 0.354 11.503 -0.035 1.00 44.24 C ATOM 0 H ILE A 39 1.343 16.282 0.350 1.00 41.23 H new ATOM 0 HA ILE A 39 0.076 14.765 2.232 1.00 33.22 H new ATOM 0 HB ILE A 39 0.535 14.135 -0.151 1.00 72.14 H new ATOM 0 HG12 ILE A 39 1.545 11.949 1.677 1.00 0.12 H new ATOM 0 HG13 ILE A 39 -0.109 12.519 1.783 1.00 0.12 H new ATOM 0 HG21 ILE A 39 2.677 13.047 -0.697 1.00 23.42 H new ATOM 0 HG22 ILE A 39 2.904 14.750 -0.232 1.00 23.42 H new ATOM 0 HG23 ILE A 39 3.292 13.453 0.923 1.00 23.42 H new ATOM 0 HD11 ILE A 39 0.046 10.535 0.360 1.00 44.24 H new ATOM 0 HD12 ILE A 39 -0.471 11.947 -0.591 1.00 44.24 H new ATOM 0 HD13 ILE A 39 1.208 11.369 -0.699 1.00 44.24 H new ATOM 579 N ARG A 40 3.297 14.976 2.792 1.00 15.14 N ATOM 580 CA ARG A 40 4.351 14.695 3.760 1.00 32.25 C ATOM 581 C ARG A 40 4.109 15.454 5.061 1.00 0.25 C ATOM 582 O ARG A 40 4.031 14.857 6.135 1.00 44.13 O ATOM 583 CB ARG A 40 5.716 15.073 3.183 1.00 14.20 C ATOM 584 CG ARG A 40 6.878 14.747 4.107 1.00 10.31 C ATOM 585 CD ARG A 40 8.053 14.160 3.339 1.00 31.11 C ATOM 586 NE ARG A 40 8.380 14.948 2.154 1.00 44.12 N ATOM 587 CZ ARG A 40 9.268 14.567 1.242 1.00 4.53 C ATOM 588 NH1 ARG A 40 9.913 13.417 1.377 1.00 31.55 N ATOM 589 NH2 ARG A 40 9.513 15.339 0.190 1.00 32.14 N ATOM 0 H ARG A 40 3.569 15.616 2.046 1.00 15.14 H new ATOM 0 HA ARG A 40 4.338 13.626 3.975 1.00 32.25 H new ATOM 0 HB2 ARG A 40 5.858 14.552 2.236 1.00 14.20 H new ATOM 0 HB3 ARG A 40 5.725 16.141 2.964 1.00 14.20 H new ATOM 0 HG2 ARG A 40 7.196 15.651 4.626 1.00 10.31 H new ATOM 0 HG3 ARG A 40 6.551 14.040 4.870 1.00 10.31 H new ATOM 0 HD2 ARG A 40 8.924 14.109 3.992 1.00 31.11 H new ATOM 0 HD3 ARG A 40 7.818 13.138 3.041 1.00 31.11 H new ATOM 0 HE ARG A 40 7.901 15.838 2.019 1.00 44.12 H new ATOM 0 HH11 ARG A 40 9.729 12.820 2.184 1.00 31.55 H new ATOM 0 HH12 ARG A 40 10.594 13.129 0.674 1.00 31.55 H new ATOM 0 HH21 ARG A 40 9.019 16.225 0.082 1.00 32.14 H new ATOM 0 HH22 ARG A 40 10.195 15.046 -0.510 1.00 32.14 H new ATOM 603 N MET A 41 3.992 16.774 4.958 1.00 21.13 N ATOM 604 CA MET A 41 3.759 17.614 6.127 1.00 34.12 C ATOM 605 C MET A 41 2.531 17.142 6.900 1.00 74.14 C ATOM 606 O MET A 41 2.515 17.162 8.130 1.00 24.51 O ATOM 607 CB MET A 41 3.580 19.073 5.705 1.00 23.04 C ATOM 608 CG MET A 41 4.892 19.798 5.452 1.00 1.22 C ATOM 609 SD MET A 41 5.746 20.244 6.975 1.00 33.35 S ATOM 610 CE MET A 41 7.038 21.310 6.341 1.00 74.35 C ATOM 0 H MET A 41 4.055 17.285 4.077 1.00 21.13 H new ATOM 0 HA MET A 41 4.629 17.536 6.779 1.00 34.12 H new ATOM 0 HB2 MET A 41 2.974 19.109 4.800 1.00 23.04 H new ATOM 0 HB3 MET A 41 3.026 19.602 6.481 1.00 23.04 H new ATOM 0 HG2 MET A 41 5.542 19.164 4.848 1.00 1.22 H new ATOM 0 HG3 MET A 41 4.698 20.700 4.872 1.00 1.22 H new ATOM 0 HE1 MET A 41 7.653 21.667 7.167 1.00 74.35 H new ATOM 0 HE2 MET A 41 7.659 20.752 5.641 1.00 74.35 H new ATOM 0 HE3 MET A 41 6.589 22.161 5.829 1.00 74.35 H new ATOM 620 N ALA A 42 1.505 16.719 6.170 1.00 73.34 N ATOM 621 CA ALA A 42 0.274 16.240 6.787 1.00 32.42 C ATOM 622 C ALA A 42 0.474 14.865 7.418 1.00 10.43 C ATOM 623 O ALA A 42 -0.072 14.575 8.481 1.00 14.32 O ATOM 624 CB ALA A 42 -0.848 16.194 5.760 1.00 71.34 C ATOM 0 H ALA A 42 1.501 16.698 5.150 1.00 73.34 H new ATOM 0 HA ALA A 42 -0.001 16.937 7.579 1.00 32.42 H new ATOM 0 HB1 ALA A 42 -1.761 15.835 6.235 1.00 71.34 H new ATOM 0 HB2 ALA A 42 -1.016 17.194 5.360 1.00 71.34 H new ATOM 0 HB3 ALA A 42 -0.571 15.521 4.949 1.00 71.34 H new ATOM 630 N ASN A 43 1.261 14.025 6.754 1.00 72.11 N ATOM 631 CA ASN A 43 1.531 12.680 7.250 1.00 65.02 C ATOM 632 C ASN A 43 2.270 12.731 8.584 1.00 31.10 C ATOM 633 O ASN A 43 1.817 12.165 9.579 1.00 34.40 O ATOM 634 CB ASN A 43 2.355 11.893 6.228 1.00 4.31 C ATOM 635 CG ASN A 43 1.489 11.211 5.189 1.00 12.10 C ATOM 636 OD1 ASN A 43 0.261 11.220 5.285 1.00 20.21 O ATOM 637 ND2 ASN A 43 2.125 10.614 4.187 1.00 74.41 N ATOM 0 H ASN A 43 1.722 14.251 5.873 1.00 72.11 H new ATOM 0 HA ASN A 43 0.576 12.177 7.402 1.00 65.02 H new ATOM 0 HB2 ASN A 43 3.051 12.568 5.730 1.00 4.31 H new ATOM 0 HB3 ASN A 43 2.953 11.144 6.747 1.00 4.31 H new ATOM 0 HD21 ASN A 43 1.594 10.138 3.457 1.00 74.41 H new ATOM 0 HD22 ASN A 43 3.144 10.631 4.147 1.00 74.41 H new ATOM 644 N VAL A 44 3.410 13.414 8.598 1.00 62.22 N ATOM 645 CA VAL A 44 4.210 13.540 9.811 1.00 41.44 C ATOM 646 C VAL A 44 3.427 14.240 10.915 1.00 62.52 C ATOM 647 O VAL A 44 3.510 13.861 12.084 1.00 12.53 O ATOM 648 CB VAL A 44 5.511 14.321 9.544 1.00 2.21 C ATOM 649 CG1 VAL A 44 6.340 14.427 10.816 1.00 52.54 C ATOM 650 CG2 VAL A 44 6.311 13.661 8.431 1.00 11.12 C ATOM 0 H VAL A 44 3.800 13.888 7.784 1.00 62.22 H new ATOM 0 HA VAL A 44 4.460 12.529 10.133 1.00 41.44 H new ATOM 0 HB VAL A 44 5.249 15.329 9.223 1.00 2.21 H new ATOM 0 HG11 VAL A 44 7.255 14.982 10.609 1.00 52.54 H new ATOM 0 HG12 VAL A 44 5.766 14.948 11.582 1.00 52.54 H new ATOM 0 HG13 VAL A 44 6.594 13.428 11.169 1.00 52.54 H new ATOM 0 HG21 VAL A 44 7.226 14.226 8.256 1.00 11.12 H new ATOM 0 HG22 VAL A 44 6.564 12.641 8.720 1.00 11.12 H new ATOM 0 HG23 VAL A 44 5.716 13.642 7.518 1.00 11.12 H new ATOM 660 N SER A 45 2.668 15.263 10.538 1.00 74.32 N ATOM 661 CA SER A 45 1.872 16.018 11.498 1.00 13.44 C ATOM 662 C SER A 45 0.835 15.122 12.169 1.00 25.43 C ATOM 663 O SER A 45 0.378 15.404 13.278 1.00 72.42 O ATOM 664 CB SER A 45 1.175 17.191 10.805 1.00 53.42 C ATOM 665 OG SER A 45 2.092 18.233 10.518 1.00 20.34 O ATOM 0 H SER A 45 2.587 15.588 9.575 1.00 74.32 H new ATOM 0 HA SER A 45 2.544 16.404 12.264 1.00 13.44 H new ATOM 0 HB2 SER A 45 0.710 16.847 9.881 1.00 53.42 H new ATOM 0 HB3 SER A 45 0.376 17.571 11.442 1.00 53.42 H new ATOM 0 HG SER A 45 2.337 18.201 9.570 1.00 20.34 H new ATOM 671 N THR A 46 0.470 14.039 11.491 1.00 53.41 N ATOM 672 CA THR A 46 -0.513 13.102 12.020 1.00 41.14 C ATOM 673 C THR A 46 0.167 11.884 12.635 1.00 31.20 C ATOM 674 O THR A 46 -0.393 10.788 12.648 1.00 14.51 O ATOM 675 CB THR A 46 -1.487 12.632 10.923 1.00 14.01 C ATOM 676 OG1 THR A 46 -0.772 12.366 9.712 1.00 23.12 O ATOM 677 CG2 THR A 46 -2.558 13.681 10.666 1.00 73.22 C ATOM 0 H THR A 46 0.840 13.789 10.574 1.00 53.41 H new ATOM 0 HA THR A 46 -1.073 13.631 12.791 1.00 41.14 H new ATOM 0 HB THR A 46 -1.971 11.717 11.266 1.00 14.01 H new ATOM 0 HG1 THR A 46 0.146 12.099 9.926 1.00 23.12 H new ATOM 0 HG21 THR A 46 -3.234 13.327 9.888 1.00 73.22 H new ATOM 0 HG22 THR A 46 -3.121 13.859 11.582 1.00 73.22 H new ATOM 0 HG23 THR A 46 -2.088 14.610 10.343 1.00 73.22 H new ATOM 685 N GLY A 47 1.378 12.082 13.147 1.00 31.21 N ATOM 686 CA GLY A 47 2.113 10.991 13.759 1.00 72.14 C ATOM 687 C GLY A 47 2.356 9.845 12.797 1.00 41.03 C ATOM 688 O GLY A 47 2.634 8.722 13.217 1.00 51.24 O ATOM 0 H GLY A 47 1.863 12.979 13.149 1.00 31.21 H new ATOM 0 HA2 GLY A 47 3.070 11.362 14.126 1.00 72.14 H new ATOM 0 HA3 GLY A 47 1.560 10.624 14.624 1.00 72.14 H new ATOM 692 N ARG A 48 2.249 10.128 11.503 1.00 43.24 N ATOM 693 CA ARG A 48 2.456 9.111 10.478 1.00 32.23 C ATOM 694 C ARG A 48 3.821 9.275 9.818 1.00 64.14 C ATOM 695 O ARG A 48 4.204 10.378 9.427 1.00 72.53 O ATOM 696 CB ARG A 48 1.354 9.190 9.421 1.00 71.53 C ATOM 697 CG ARG A 48 0.474 7.951 9.364 1.00 23.13 C ATOM 698 CD ARG A 48 -0.943 8.253 9.827 1.00 65.51 C ATOM 699 NE ARG A 48 -1.846 7.130 9.589 1.00 54.32 N ATOM 700 CZ ARG A 48 -3.151 7.171 9.838 1.00 44.43 C ATOM 701 NH1 ARG A 48 -3.701 8.273 10.330 1.00 40.35 N ATOM 702 NH2 ARG A 48 -3.907 6.110 9.594 1.00 75.44 N ATOM 0 H ARG A 48 2.020 11.053 11.139 1.00 43.24 H new ATOM 0 HA ARG A 48 2.419 8.134 10.959 1.00 32.23 H new ATOM 0 HB2 ARG A 48 0.729 10.060 9.624 1.00 71.53 H new ATOM 0 HB3 ARG A 48 1.810 9.346 8.444 1.00 71.53 H new ATOM 0 HG2 ARG A 48 0.451 7.566 8.344 1.00 23.13 H new ATOM 0 HG3 ARG A 48 0.904 7.169 9.990 1.00 23.13 H new ATOM 0 HD2 ARG A 48 -0.934 8.492 10.890 1.00 65.51 H new ATOM 0 HD3 ARG A 48 -1.315 9.135 9.305 1.00 65.51 H new ATOM 0 HE ARG A 48 -1.454 6.267 9.211 1.00 54.32 H new ATOM 0 HH11 ARG A 48 -3.122 9.092 10.518 1.00 40.35 H new ATOM 0 HH12 ARG A 48 -4.703 8.302 10.520 1.00 40.35 H new ATOM 0 HH21 ARG A 48 -3.487 5.261 9.215 1.00 75.44 H new ATOM 0 HH22 ARG A 48 -4.908 6.142 9.785 1.00 75.44 H new ATOM 716 N GLU A 49 4.552 8.170 9.698 1.00 20.15 N ATOM 717 CA GLU A 49 5.875 8.193 9.086 1.00 25.54 C ATOM 718 C GLU A 49 5.832 8.870 7.720 1.00 74.12 C ATOM 719 O GLU A 49 4.778 8.999 7.096 1.00 72.22 O ATOM 720 CB GLU A 49 6.421 6.771 8.947 1.00 41.31 C ATOM 721 CG GLU A 49 7.251 6.317 10.136 1.00 13.34 C ATOM 722 CD GLU A 49 7.459 4.815 10.164 1.00 12.15 C ATOM 723 OE1 GLU A 49 7.504 4.204 9.076 1.00 53.01 O ATOM 724 OE2 GLU A 49 7.576 4.252 11.272 1.00 30.34 O ATOM 0 H GLU A 49 4.250 7.249 10.016 1.00 20.15 H new ATOM 0 HA GLU A 49 6.537 8.767 9.734 1.00 25.54 H new ATOM 0 HB2 GLU A 49 5.587 6.082 8.813 1.00 41.31 H new ATOM 0 HB3 GLU A 49 7.031 6.712 8.046 1.00 41.31 H new ATOM 0 HG2 GLU A 49 8.221 6.814 10.108 1.00 13.34 H new ATOM 0 HG3 GLU A 49 6.760 6.629 11.058 1.00 13.34 H new ATOM 731 N PRO A 50 7.004 9.315 7.242 1.00 35.41 N ATOM 732 CA PRO A 50 7.126 9.985 5.944 1.00 13.22 C ATOM 733 C PRO A 50 6.899 9.033 4.775 1.00 23.22 C ATOM 734 O PRO A 50 6.586 9.461 3.665 1.00 62.23 O ATOM 735 CB PRO A 50 8.569 10.498 5.944 1.00 71.43 C ATOM 736 CG PRO A 50 9.294 9.586 6.874 1.00 41.33 C ATOM 737 CD PRO A 50 8.300 9.196 7.932 1.00 54.22 C ATOM 0 HA PRO A 50 6.380 10.770 5.819 1.00 13.22 H new ATOM 0 HB2 PRO A 50 9.000 10.468 4.943 1.00 71.43 H new ATOM 0 HB3 PRO A 50 8.622 11.533 6.283 1.00 71.43 H new ATOM 0 HG2 PRO A 50 9.667 8.708 6.347 1.00 41.33 H new ATOM 0 HG3 PRO A 50 10.157 10.084 7.315 1.00 41.33 H new ATOM 0 HD2 PRO A 50 8.472 8.181 8.291 1.00 54.22 H new ATOM 0 HD3 PRO A 50 8.356 9.855 8.799 1.00 54.22 H new ATOM 745 N GLY A 51 7.058 7.738 5.033 1.00 41.51 N ATOM 746 CA GLY A 51 6.867 6.746 3.992 1.00 21.13 C ATOM 747 C GLY A 51 5.423 6.294 3.881 1.00 45.44 C ATOM 748 O GLY A 51 5.141 5.097 3.852 1.00 63.51 O ATOM 0 H GLY A 51 7.316 7.359 5.944 1.00 41.51 H new ATOM 0 HA2 GLY A 51 7.190 7.159 3.036 1.00 21.13 H new ATOM 0 HA3 GLY A 51 7.500 5.883 4.196 1.00 21.13 H new ATOM 752 N ASP A 52 4.509 7.255 3.818 1.00 31.40 N ATOM 753 CA ASP A 52 3.086 6.950 3.710 1.00 61.13 C ATOM 754 C ASP A 52 2.539 7.384 2.353 1.00 44.20 C ATOM 755 O ASP A 52 2.239 8.559 2.142 1.00 13.10 O ATOM 756 CB ASP A 52 2.308 7.639 4.831 1.00 62.12 C ATOM 757 CG ASP A 52 1.806 6.660 5.873 1.00 24.53 C ATOM 758 OD1 ASP A 52 0.614 6.293 5.817 1.00 75.45 O ATOM 759 OD2 ASP A 52 2.605 6.260 6.746 1.00 61.22 O ATOM 0 H ASP A 52 4.727 8.251 3.840 1.00 31.40 H new ATOM 0 HA ASP A 52 2.963 5.871 3.804 1.00 61.13 H new ATOM 0 HB2 ASP A 52 2.947 8.380 5.311 1.00 62.12 H new ATOM 0 HB3 ASP A 52 1.461 8.177 4.404 1.00 62.12 H new ATOM 764 N ILE A 53 2.415 6.428 1.438 1.00 3.32 N ATOM 765 CA ILE A 53 1.904 6.713 0.102 1.00 23.21 C ATOM 766 C ILE A 53 0.559 6.034 -0.128 1.00 74.52 C ATOM 767 O ILE A 53 0.451 5.040 -0.846 1.00 44.23 O ATOM 768 CB ILE A 53 2.891 6.254 -0.987 1.00 72.33 C ATOM 769 CG1 ILE A 53 4.266 6.885 -0.759 1.00 45.23 C ATOM 770 CG2 ILE A 53 2.360 6.611 -2.367 1.00 5.42 C ATOM 771 CD1 ILE A 53 4.254 8.397 -0.815 1.00 71.34 C ATOM 0 H ILE A 53 2.661 5.451 1.597 1.00 3.32 H new ATOM 0 HA ILE A 53 1.779 7.794 0.035 1.00 23.21 H new ATOM 0 HB ILE A 53 2.996 5.171 -0.929 1.00 72.33 H new ATOM 0 HG12 ILE A 53 4.645 6.569 0.213 1.00 45.23 H new ATOM 0 HG13 ILE A 53 4.959 6.507 -1.510 1.00 45.23 H new ATOM 0 HG21 ILE A 53 3.069 6.280 -3.126 1.00 5.42 H new ATOM 0 HG22 ILE A 53 1.401 6.118 -2.526 1.00 5.42 H new ATOM 0 HG23 ILE A 53 2.229 7.691 -2.438 1.00 5.42 H new ATOM 0 HD11 ILE A 53 5.262 8.775 -0.645 1.00 71.34 H new ATOM 0 HD12 ILE A 53 3.905 8.722 -1.795 1.00 71.34 H new ATOM 0 HD13 ILE A 53 3.586 8.784 -0.045 1.00 71.34 H new ATOM 783 N PRO A 54 -0.495 6.582 0.495 1.00 51.43 N ATOM 784 CA PRO A 54 -1.855 6.048 0.371 1.00 64.40 C ATOM 785 C PRO A 54 -2.439 6.265 -1.020 1.00 1.00 C ATOM 786 O PRO A 54 -1.866 6.985 -1.837 1.00 73.40 O ATOM 787 CB PRO A 54 -2.644 6.843 1.414 1.00 55.15 C ATOM 788 CG PRO A 54 -1.889 8.117 1.570 1.00 34.34 C ATOM 789 CD PRO A 54 -0.441 7.768 1.366 1.00 32.30 C ATOM 0 HA PRO A 54 -1.885 4.969 0.525 1.00 64.40 H new ATOM 0 HB2 PRO A 54 -3.666 7.027 1.082 1.00 55.15 H new ATOM 0 HB3 PRO A 54 -2.708 6.303 2.358 1.00 55.15 H new ATOM 0 HG2 PRO A 54 -2.218 8.857 0.841 1.00 34.34 H new ATOM 0 HG3 PRO A 54 -2.051 8.548 2.558 1.00 34.34 H new ATOM 0 HD2 PRO A 54 0.107 8.586 0.898 1.00 32.30 H new ATOM 0 HD3 PRO A 54 0.057 7.550 2.311 1.00 32.30 H new ATOM 797 N GLU A 55 -3.581 5.637 -1.282 1.00 34.12 N ATOM 798 CA GLU A 55 -4.242 5.763 -2.575 1.00 12.11 C ATOM 799 C GLU A 55 -5.684 5.268 -2.501 1.00 12.01 C ATOM 800 O GLU A 55 -6.151 4.546 -3.381 1.00 62.33 O ATOM 801 CB GLU A 55 -3.477 4.978 -3.643 1.00 62.42 C ATOM 802 CG GLU A 55 -3.657 5.525 -5.048 1.00 14.35 C ATOM 803 CD GLU A 55 -4.664 4.730 -5.858 1.00 41.53 C ATOM 804 OE1 GLU A 55 -5.604 5.345 -6.403 1.00 35.43 O ATOM 805 OE2 GLU A 55 -4.509 3.494 -5.949 1.00 14.05 O ATOM 0 H GLU A 55 -4.067 5.036 -0.616 1.00 34.12 H new ATOM 0 HA GLU A 55 -4.252 6.819 -2.847 1.00 12.11 H new ATOM 0 HB2 GLU A 55 -2.416 4.982 -3.394 1.00 62.42 H new ATOM 0 HB3 GLU A 55 -3.805 3.939 -3.622 1.00 62.42 H new ATOM 0 HG2 GLU A 55 -3.981 6.564 -4.991 1.00 14.35 H new ATOM 0 HG3 GLU A 55 -2.696 5.519 -5.562 1.00 14.35 H new ATOM 812 N THR A 56 -6.385 5.663 -1.442 1.00 25.13 N ATOM 813 CA THR A 56 -7.772 5.259 -1.249 1.00 51.44 C ATOM 814 C THR A 56 -8.577 6.364 -0.576 1.00 71.34 C ATOM 815 O THR A 56 -8.064 7.089 0.277 1.00 5.12 O ATOM 816 CB THR A 56 -7.872 3.976 -0.402 1.00 4.24 C ATOM 817 OG1 THR A 56 -7.557 4.267 0.964 1.00 21.13 O ATOM 818 CG2 THR A 56 -6.928 2.906 -0.929 1.00 32.23 C ATOM 0 H THR A 56 -6.014 6.263 -0.705 1.00 25.13 H new ATOM 0 HA THR A 56 -8.185 5.064 -2.239 1.00 51.44 H new ATOM 0 HB THR A 56 -8.893 3.601 -0.467 1.00 4.24 H new ATOM 0 HG1 THR A 56 -6.625 4.022 1.144 1.00 21.13 H new ATOM 0 HG21 THR A 56 -7.016 2.009 -0.316 1.00 32.23 H new ATOM 0 HG22 THR A 56 -7.188 2.667 -1.960 1.00 32.23 H new ATOM 0 HG23 THR A 56 -5.903 3.274 -0.889 1.00 32.23 H new ATOM 826 N LEU A 57 -9.842 6.488 -0.963 1.00 73.44 N ATOM 827 CA LEU A 57 -10.721 7.504 -0.395 1.00 44.22 C ATOM 828 C LEU A 57 -10.707 7.446 1.129 1.00 30.20 C ATOM 829 O LEU A 57 -10.789 8.475 1.800 1.00 74.12 O ATOM 830 CB LEU A 57 -12.149 7.319 -0.912 1.00 22.42 C ATOM 831 CG LEU A 57 -12.397 7.735 -2.362 1.00 73.43 C ATOM 832 CD1 LEU A 57 -13.847 7.483 -2.748 1.00 42.10 C ATOM 833 CD2 LEU A 57 -12.035 9.198 -2.566 1.00 14.50 C ATOM 0 H LEU A 57 -10.282 5.897 -1.668 1.00 73.44 H new ATOM 0 HA LEU A 57 -10.353 8.482 -0.706 1.00 44.22 H new ATOM 0 HB2 LEU A 57 -12.419 6.269 -0.805 1.00 22.42 H new ATOM 0 HB3 LEU A 57 -12.823 7.888 -0.271 1.00 22.42 H new ATOM 0 HG LEU A 57 -11.760 7.131 -3.008 1.00 73.43 H new ATOM 0 HD11 LEU A 57 -14.006 7.785 -3.783 1.00 42.10 H new ATOM 0 HD12 LEU A 57 -14.073 6.422 -2.641 1.00 42.10 H new ATOM 0 HD13 LEU A 57 -14.503 8.061 -2.097 1.00 42.10 H new ATOM 0 HD21 LEU A 57 -12.218 9.477 -3.604 1.00 14.50 H new ATOM 0 HD22 LEU A 57 -12.646 9.819 -1.910 1.00 14.50 H new ATOM 0 HD23 LEU A 57 -10.982 9.348 -2.330 1.00 14.50 H new ATOM 845 N ASP A 58 -10.600 6.237 1.669 1.00 2.34 N ATOM 846 CA ASP A 58 -10.572 6.044 3.114 1.00 2.41 C ATOM 847 C ASP A 58 -9.295 6.627 3.715 1.00 73.34 C ATOM 848 O ASP A 58 -9.317 7.200 4.803 1.00 42.13 O ATOM 849 CB ASP A 58 -10.679 4.557 3.454 1.00 25.11 C ATOM 850 CG ASP A 58 -11.568 4.301 4.654 1.00 74.54 C ATOM 851 OD1 ASP A 58 -12.807 4.344 4.494 1.00 62.42 O ATOM 852 OD2 ASP A 58 -11.027 4.055 5.752 1.00 54.21 O ATOM 0 H ASP A 58 -10.531 5.375 1.127 1.00 2.34 H new ATOM 0 HA ASP A 58 -11.426 6.568 3.543 1.00 2.41 H new ATOM 0 HB2 ASP A 58 -11.072 4.018 2.592 1.00 25.11 H new ATOM 0 HB3 ASP A 58 -9.683 4.160 3.652 1.00 25.11 H new ATOM 857 N GLN A 59 -8.186 6.472 2.998 1.00 34.31 N ATOM 858 CA GLN A 59 -6.901 6.980 3.463 1.00 55.42 C ATOM 859 C GLN A 59 -6.904 8.505 3.510 1.00 62.25 C ATOM 860 O GLN A 59 -6.568 9.104 4.532 1.00 4.41 O ATOM 861 CB GLN A 59 -5.775 6.488 2.552 1.00 2.53 C ATOM 862 CG GLN A 59 -5.111 5.212 3.041 1.00 42.01 C ATOM 863 CD GLN A 59 -4.493 4.407 1.914 1.00 72.21 C ATOM 864 OE1 GLN A 59 -4.969 4.439 0.779 1.00 0.25 O ATOM 865 NE2 GLN A 59 -3.427 3.677 2.222 1.00 2.24 N ATOM 0 H GLN A 59 -8.152 6.000 2.095 1.00 34.31 H new ATOM 0 HA GLN A 59 -6.733 6.604 4.472 1.00 55.42 H new ATOM 0 HB2 GLN A 59 -6.175 6.319 1.552 1.00 2.53 H new ATOM 0 HB3 GLN A 59 -5.021 7.270 2.466 1.00 2.53 H new ATOM 0 HG2 GLN A 59 -4.339 5.464 3.768 1.00 42.01 H new ATOM 0 HG3 GLN A 59 -5.848 4.599 3.559 1.00 42.01 H new ATOM 0 HE21 GLN A 59 -3.065 3.680 3.176 1.00 2.24 H new ATOM 0 HE22 GLN A 59 -2.970 3.114 1.505 1.00 2.24 H new ATOM 874 N LEU A 60 -7.284 9.125 2.399 1.00 2.45 N ATOM 875 CA LEU A 60 -7.330 10.580 2.314 1.00 13.45 C ATOM 876 C LEU A 60 -8.370 11.150 3.274 1.00 53.42 C ATOM 877 O LEU A 60 -8.264 12.295 3.712 1.00 51.40 O ATOM 878 CB LEU A 60 -7.647 11.017 0.883 1.00 54.10 C ATOM 879 CG LEU A 60 -6.450 11.146 -0.061 1.00 31.13 C ATOM 880 CD1 LEU A 60 -5.601 12.351 0.316 1.00 52.24 C ATOM 881 CD2 LEU A 60 -5.615 9.875 -0.040 1.00 32.53 C ATOM 0 H LEU A 60 -7.565 8.643 1.545 1.00 2.45 H new ATOM 0 HA LEU A 60 -6.351 10.967 2.597 1.00 13.45 H new ATOM 0 HB2 LEU A 60 -8.348 10.302 0.453 1.00 54.10 H new ATOM 0 HB3 LEU A 60 -8.158 11.979 0.923 1.00 54.10 H new ATOM 0 HG LEU A 60 -6.824 11.294 -1.074 1.00 31.13 H new ATOM 0 HD11 LEU A 60 -4.754 12.427 -0.366 1.00 52.24 H new ATOM 0 HD12 LEU A 60 -6.204 13.256 0.248 1.00 52.24 H new ATOM 0 HD13 LEU A 60 -5.236 12.234 1.336 1.00 52.24 H new ATOM 0 HD21 LEU A 60 -4.768 9.985 -0.717 1.00 32.53 H new ATOM 0 HD22 LEU A 60 -5.250 9.696 0.971 1.00 32.53 H new ATOM 0 HD23 LEU A 60 -6.228 9.032 -0.359 1.00 32.53 H new ATOM 893 N ARG A 61 -9.374 10.341 3.596 1.00 23.55 N ATOM 894 CA ARG A 61 -10.433 10.765 4.505 1.00 23.30 C ATOM 895 C ARG A 61 -9.931 10.804 5.946 1.00 44.32 C ATOM 896 O ARG A 61 -10.299 11.688 6.719 1.00 32.32 O ATOM 897 CB ARG A 61 -11.632 9.821 4.399 1.00 14.02 C ATOM 898 CG ARG A 61 -12.725 10.108 5.416 1.00 61.24 C ATOM 899 CD ARG A 61 -13.879 9.125 5.287 1.00 63.22 C ATOM 900 NE ARG A 61 -14.641 9.009 6.528 1.00 45.12 N ATOM 901 CZ ARG A 61 -14.220 8.326 7.587 1.00 4.15 C ATOM 902 NH1 ARG A 61 -13.050 7.704 7.557 1.00 54.05 N ATOM 903 NH2 ARG A 61 -14.971 8.268 8.680 1.00 44.41 N ATOM 0 H ARG A 61 -9.477 9.390 3.242 1.00 23.55 H new ATOM 0 HA ARG A 61 -10.742 11.770 4.218 1.00 23.30 H new ATOM 0 HB2 ARG A 61 -12.053 9.893 3.396 1.00 14.02 H new ATOM 0 HB3 ARG A 61 -11.288 8.795 4.528 1.00 14.02 H new ATOM 0 HG2 ARG A 61 -12.310 10.054 6.423 1.00 61.24 H new ATOM 0 HG3 ARG A 61 -13.094 11.124 5.278 1.00 61.24 H new ATOM 0 HD2 ARG A 61 -14.542 9.447 4.484 1.00 63.22 H new ATOM 0 HD3 ARG A 61 -13.491 8.146 5.007 1.00 63.22 H new ATOM 0 HE ARG A 61 -15.545 9.478 6.585 1.00 45.12 H new ATOM 0 HH11 ARG A 61 -12.470 7.749 6.719 1.00 54.05 H new ATOM 0 HH12 ARG A 61 -12.730 7.181 8.372 1.00 54.05 H new ATOM 0 HH21 ARG A 61 -15.871 8.748 8.707 1.00 44.41 H new ATOM 0 HH22 ARG A 61 -14.648 7.744 9.493 1.00 44.41 H new ATOM 917 N LEU A 62 -9.087 9.840 6.299 1.00 35.40 N ATOM 918 CA LEU A 62 -8.534 9.763 7.647 1.00 45.14 C ATOM 919 C LEU A 62 -7.513 10.872 7.880 1.00 42.42 C ATOM 920 O LEU A 62 -7.410 11.415 8.979 1.00 31.41 O ATOM 921 CB LEU A 62 -7.881 8.398 7.874 1.00 33.33 C ATOM 922 CG LEU A 62 -8.422 7.585 9.052 1.00 51.25 C ATOM 923 CD1 LEU A 62 -8.159 8.305 10.364 1.00 23.04 C ATOM 924 CD2 LEU A 62 -9.910 7.318 8.877 1.00 71.13 C ATOM 0 H LEU A 62 -8.771 9.101 5.671 1.00 35.40 H new ATOM 0 HA LEU A 62 -9.351 9.891 8.357 1.00 45.14 H new ATOM 0 HB2 LEU A 62 -7.997 7.806 6.966 1.00 33.33 H new ATOM 0 HB3 LEU A 62 -6.812 8.549 8.022 1.00 33.33 H new ATOM 0 HG LEU A 62 -7.901 6.628 9.077 1.00 51.25 H new ATOM 0 HD11 LEU A 62 -8.551 7.711 11.190 1.00 23.04 H new ATOM 0 HD12 LEU A 62 -7.086 8.444 10.494 1.00 23.04 H new ATOM 0 HD13 LEU A 62 -8.651 9.277 10.351 1.00 23.04 H new ATOM 0 HD21 LEU A 62 -10.278 6.739 9.724 1.00 71.13 H new ATOM 0 HD22 LEU A 62 -10.446 8.266 8.825 1.00 71.13 H new ATOM 0 HD23 LEU A 62 -10.073 6.758 7.956 1.00 71.13 H new ATOM 936 N VAL A 63 -6.760 11.206 6.835 1.00 61.54 N ATOM 937 CA VAL A 63 -5.748 12.252 6.925 1.00 75.02 C ATOM 938 C VAL A 63 -6.391 13.624 7.092 1.00 55.41 C ATOM 939 O VAL A 63 -5.981 14.414 7.943 1.00 74.43 O ATOM 940 CB VAL A 63 -4.846 12.268 5.677 1.00 20.44 C ATOM 941 CG1 VAL A 63 -3.710 13.264 5.854 1.00 11.30 C ATOM 942 CG2 VAL A 63 -4.305 10.875 5.393 1.00 2.30 C ATOM 0 H VAL A 63 -6.832 10.767 5.917 1.00 61.54 H new ATOM 0 HA VAL A 63 -5.139 12.030 7.801 1.00 75.02 H new ATOM 0 HB VAL A 63 -5.444 12.582 4.821 1.00 20.44 H new ATOM 0 HG11 VAL A 63 -3.082 13.262 4.963 1.00 11.30 H new ATOM 0 HG12 VAL A 63 -4.121 14.262 6.006 1.00 11.30 H new ATOM 0 HG13 VAL A 63 -3.111 12.983 6.720 1.00 11.30 H new ATOM 0 HG21 VAL A 63 -3.670 10.905 4.508 1.00 2.30 H new ATOM 0 HG22 VAL A 63 -3.722 10.530 6.247 1.00 2.30 H new ATOM 0 HG23 VAL A 63 -5.135 10.190 5.221 1.00 2.30 H new ATOM 952 N ILE A 64 -7.401 13.901 6.275 1.00 14.24 N ATOM 953 CA ILE A 64 -8.103 15.177 6.332 1.00 23.15 C ATOM 954 C ILE A 64 -8.871 15.324 7.641 1.00 22.43 C ATOM 955 O ILE A 64 -9.014 16.428 8.170 1.00 62.25 O ATOM 956 CB ILE A 64 -9.082 15.336 5.155 1.00 34.21 C ATOM 957 CG1 ILE A 64 -9.705 16.734 5.165 1.00 43.45 C ATOM 958 CG2 ILE A 64 -10.165 14.269 5.220 1.00 31.23 C ATOM 959 CD1 ILE A 64 -10.434 17.080 3.886 1.00 0.33 C ATOM 0 H ILE A 64 -7.752 13.258 5.565 1.00 14.24 H new ATOM 0 HA ILE A 64 -7.344 15.957 6.269 1.00 23.15 H new ATOM 0 HB ILE A 64 -8.530 15.211 4.224 1.00 34.21 H new ATOM 0 HG12 ILE A 64 -10.400 16.807 6.001 1.00 43.45 H new ATOM 0 HG13 ILE A 64 -8.921 17.471 5.337 1.00 43.45 H new ATOM 0 HG21 ILE A 64 -10.850 14.394 4.381 1.00 31.23 H new ATOM 0 HG22 ILE A 64 -9.706 13.281 5.170 1.00 31.23 H new ATOM 0 HG23 ILE A 64 -10.716 14.366 6.156 1.00 31.23 H new ATOM 0 HD11 ILE A 64 -10.850 18.085 3.964 1.00 0.33 H new ATOM 0 HD12 ILE A 64 -9.738 17.040 3.048 1.00 0.33 H new ATOM 0 HD13 ILE A 64 -11.241 16.365 3.722 1.00 0.33 H new ATOM 971 N CYS A 65 -9.362 14.204 8.161 1.00 2.33 N ATOM 972 CA CYS A 65 -10.116 14.207 9.410 1.00 62.32 C ATOM 973 C CYS A 65 -9.236 14.650 10.574 1.00 23.53 C ATOM 974 O CYS A 65 -9.555 15.608 11.277 1.00 3.53 O ATOM 975 CB CYS A 65 -10.688 12.817 9.688 1.00 73.01 C ATOM 976 SG CYS A 65 -12.304 12.520 8.934 1.00 14.30 S ATOM 0 H CYS A 65 -9.252 13.283 7.737 1.00 2.33 H new ATOM 0 HA CYS A 65 -10.938 14.916 9.308 1.00 62.32 H new ATOM 0 HB2 CYS A 65 -9.986 12.067 9.324 1.00 73.01 H new ATOM 0 HB3 CYS A 65 -10.771 12.679 10.766 1.00 73.01 H new ATOM 0 HG CYS A 65 -12.143 12.064 7.727 1.00 14.30 H new ATOM 982 N ASP A 66 -8.128 13.944 10.774 1.00 74.31 N ATOM 983 CA ASP A 66 -7.202 14.263 11.854 1.00 24.41 C ATOM 984 C ASP A 66 -6.536 15.615 11.617 1.00 73.30 C ATOM 985 O ASP A 66 -6.344 16.396 12.549 1.00 21.41 O ATOM 986 CB ASP A 66 -6.138 13.171 11.982 1.00 31.41 C ATOM 987 CG ASP A 66 -6.409 12.231 13.140 1.00 53.05 C ATOM 988 OD1 ASP A 66 -5.646 12.269 14.128 1.00 4.32 O ATOM 989 OD2 ASP A 66 -7.386 11.457 13.059 1.00 23.55 O ATOM 0 H ASP A 66 -7.850 13.147 10.202 1.00 74.31 H new ATOM 0 HA ASP A 66 -7.770 14.316 12.783 1.00 24.41 H new ATOM 0 HB2 ASP A 66 -6.096 12.598 11.055 1.00 31.41 H new ATOM 0 HB3 ASP A 66 -5.160 13.634 12.115 1.00 31.41 H new ATOM 994 N LEU A 67 -6.184 15.883 10.365 1.00 2.23 N ATOM 995 CA LEU A 67 -5.538 17.140 10.005 1.00 54.21 C ATOM 996 C LEU A 67 -6.468 18.323 10.258 1.00 61.03 C ATOM 997 O LEU A 67 -6.053 19.344 10.805 1.00 34.21 O ATOM 998 CB LEU A 67 -5.114 17.116 8.535 1.00 21.22 C ATOM 999 CG LEU A 67 -4.279 18.304 8.058 1.00 51.21 C ATOM 1000 CD1 LEU A 67 -2.909 18.296 8.720 1.00 73.14 C ATOM 1001 CD2 LEU A 67 -4.140 18.284 6.542 1.00 22.21 C ATOM 0 H LEU A 67 -6.335 15.247 9.582 1.00 2.23 H new ATOM 0 HA LEU A 67 -4.653 17.257 10.631 1.00 54.21 H new ATOM 0 HB2 LEU A 67 -4.546 16.203 8.356 1.00 21.22 H new ATOM 0 HB3 LEU A 67 -6.012 17.058 7.920 1.00 21.22 H new ATOM 0 HG LEU A 67 -4.793 19.222 8.345 1.00 51.21 H new ATOM 0 HD11 LEU A 67 -2.330 19.149 8.368 1.00 73.14 H new ATOM 0 HD12 LEU A 67 -3.027 18.360 9.802 1.00 73.14 H new ATOM 0 HD13 LEU A 67 -2.387 17.373 8.466 1.00 73.14 H new ATOM 0 HD21 LEU A 67 -3.543 19.137 6.220 1.00 22.21 H new ATOM 0 HD22 LEU A 67 -3.650 17.361 6.234 1.00 22.21 H new ATOM 0 HD23 LEU A 67 -5.128 18.340 6.085 1.00 22.21 H new ATOM 1013 N GLN A 68 -7.726 18.175 9.857 1.00 73.30 N ATOM 1014 CA GLN A 68 -8.716 19.230 10.041 1.00 25.54 C ATOM 1015 C GLN A 68 -8.875 19.573 11.520 1.00 15.01 C ATOM 1016 O GLN A 68 -8.864 20.744 11.899 1.00 0.11 O ATOM 1017 CB GLN A 68 -10.063 18.805 9.456 1.00 63.32 C ATOM 1018 CG GLN A 68 -11.130 19.883 9.538 1.00 50.10 C ATOM 1019 CD GLN A 68 -11.792 19.949 10.901 1.00 70.15 C ATOM 1020 OE1 GLN A 68 -11.901 18.941 11.599 1.00 24.32 O ATOM 1021 NE2 GLN A 68 -12.237 21.138 11.287 1.00 55.11 N ATOM 0 H GLN A 68 -8.084 17.335 9.403 1.00 73.30 H new ATOM 0 HA GLN A 68 -8.366 20.118 9.515 1.00 25.54 H new ATOM 0 HB2 GLN A 68 -9.923 18.523 8.413 1.00 63.32 H new ATOM 0 HB3 GLN A 68 -10.414 17.917 9.982 1.00 63.32 H new ATOM 0 HG2 GLN A 68 -10.682 20.850 9.309 1.00 50.10 H new ATOM 0 HG3 GLN A 68 -11.889 19.696 8.779 1.00 50.10 H new ATOM 0 HE21 GLN A 68 -12.126 21.947 10.676 1.00 55.11 H new ATOM 0 HE22 GLN A 68 -12.691 21.243 12.195 1.00 55.11 H new ATOM 1030 N GLU A 69 -9.026 18.544 12.348 1.00 24.24 N ATOM 1031 CA GLU A 69 -9.190 18.739 13.784 1.00 64.22 C ATOM 1032 C GLU A 69 -8.027 19.541 14.361 1.00 10.32 C ATOM 1033 O GLU A 69 -8.228 20.480 15.131 1.00 13.21 O ATOM 1034 CB GLU A 69 -9.294 17.388 14.495 1.00 25.43 C ATOM 1035 CG GLU A 69 -10.304 17.374 15.630 1.00 25.32 C ATOM 1036 CD GLU A 69 -9.840 18.174 16.833 1.00 53.22 C ATOM 1037 OE1 GLU A 69 -10.703 18.744 17.533 1.00 2.54 O ATOM 1038 OE2 GLU A 69 -8.617 18.228 17.074 1.00 71.32 O ATOM 0 H GLU A 69 -9.038 17.569 12.050 1.00 24.24 H new ATOM 0 HA GLU A 69 -10.111 19.300 13.946 1.00 64.22 H new ATOM 0 HB2 GLU A 69 -9.567 16.624 13.767 1.00 25.43 H new ATOM 0 HB3 GLU A 69 -8.314 17.118 14.888 1.00 25.43 H new ATOM 0 HG2 GLU A 69 -11.252 17.778 15.273 1.00 25.32 H new ATOM 0 HG3 GLU A 69 -10.490 16.344 15.933 1.00 25.32 H new ATOM 1045 N ARG A 70 -6.809 19.163 13.983 1.00 74.21 N ATOM 1046 CA ARG A 70 -5.614 19.845 14.463 1.00 22.44 C ATOM 1047 C ARG A 70 -5.517 21.250 13.876 1.00 3.12 C ATOM 1048 O ARG A 70 -5.053 22.179 14.538 1.00 51.22 O ATOM 1049 CB ARG A 70 -4.363 19.042 14.102 1.00 1.51 C ATOM 1050 CG ARG A 70 -4.406 17.600 14.579 1.00 30.21 C ATOM 1051 CD ARG A 70 -3.258 17.292 15.528 1.00 44.35 C ATOM 1052 NE ARG A 70 -3.423 17.952 16.820 1.00 52.30 N ATOM 1053 CZ ARG A 70 -4.299 17.559 17.738 1.00 44.21 C ATOM 1054 NH1 ARG A 70 -5.084 16.516 17.508 1.00 23.22 N ATOM 1055 NH2 ARG A 70 -4.391 18.211 18.890 1.00 44.10 N ATOM 0 H ARG A 70 -6.625 18.388 13.346 1.00 74.21 H new ATOM 0 HA ARG A 70 -5.684 19.927 15.548 1.00 22.44 H new ATOM 0 HB2 ARG A 70 -4.234 19.054 13.020 1.00 1.51 H new ATOM 0 HB3 ARG A 70 -3.490 19.532 14.533 1.00 1.51 H new ATOM 0 HG2 ARG A 70 -5.355 17.410 15.080 1.00 30.21 H new ATOM 0 HG3 ARG A 70 -4.359 16.930 13.720 1.00 30.21 H new ATOM 0 HD2 ARG A 70 -3.191 16.214 15.678 1.00 44.35 H new ATOM 0 HD3 ARG A 70 -2.319 17.610 15.076 1.00 44.35 H new ATOM 0 HE ARG A 70 -2.834 18.758 17.029 1.00 52.30 H new ATOM 0 HH11 ARG A 70 -5.017 16.012 16.624 1.00 23.22 H new ATOM 0 HH12 ARG A 70 -5.755 16.217 18.215 1.00 23.22 H new ATOM 0 HH21 ARG A 70 -3.789 19.014 19.071 1.00 44.10 H new ATOM 0 HH22 ARG A 70 -5.064 17.909 19.595 1.00 44.10 H new ATOM 1069 N ARG A 71 -5.957 21.397 12.631 1.00 41.11 N ATOM 1070 CA ARG A 71 -5.918 22.688 11.954 1.00 63.14 C ATOM 1071 C ARG A 71 -6.690 23.740 12.746 1.00 54.44 C ATOM 1072 O ARG A 71 -6.244 24.879 12.879 1.00 52.13 O ATOM 1073 CB ARG A 71 -6.499 22.567 10.544 1.00 71.23 C ATOM 1074 CG ARG A 71 -6.552 23.886 9.791 1.00 72.34 C ATOM 1075 CD ARG A 71 -7.879 24.597 10.004 1.00 22.40 C ATOM 1076 NE ARG A 71 -8.726 24.541 8.817 1.00 15.42 N ATOM 1077 CZ ARG A 71 -8.502 25.257 7.720 1.00 74.40 C ATOM 1078 NH1 ARG A 71 -7.463 26.077 7.661 1.00 4.13 N ATOM 1079 NH2 ARG A 71 -9.319 25.153 6.679 1.00 32.31 N ATOM 0 H ARG A 71 -6.345 20.638 12.070 1.00 41.11 H new ATOM 0 HA ARG A 71 -4.877 23.002 11.884 1.00 63.14 H new ATOM 0 HB2 ARG A 71 -5.901 21.857 9.974 1.00 71.23 H new ATOM 0 HB3 ARG A 71 -7.506 22.155 10.609 1.00 71.23 H new ATOM 0 HG2 ARG A 71 -5.737 24.529 10.123 1.00 72.34 H new ATOM 0 HG3 ARG A 71 -6.402 23.705 8.727 1.00 72.34 H new ATOM 0 HD2 ARG A 71 -8.403 24.143 10.845 1.00 22.40 H new ATOM 0 HD3 ARG A 71 -7.694 25.638 10.269 1.00 22.40 H new ATOM 0 HE ARG A 71 -9.534 23.918 8.830 1.00 15.42 H new ATOM 0 HH11 ARG A 71 -6.833 26.160 8.459 1.00 4.13 H new ATOM 0 HH12 ARG A 71 -7.293 26.625 6.818 1.00 4.13 H new ATOM 0 HH21 ARG A 71 -10.120 24.523 6.720 1.00 32.31 H new ATOM 0 HH22 ARG A 71 -9.146 25.703 5.838 1.00 32.31 H new ATOM 1093 N GLU A 72 -7.849 23.349 13.266 1.00 10.42 N ATOM 1094 CA GLU A 72 -8.683 24.260 14.042 1.00 63.35 C ATOM 1095 C GLU A 72 -8.066 24.528 15.412 1.00 44.23 C ATOM 1096 O GLU A 72 -7.832 25.676 15.787 1.00 0.52 O ATOM 1097 CB GLU A 72 -10.090 23.682 14.208 1.00 51.41 C ATOM 1098 CG GLU A 72 -11.196 24.678 13.900 1.00 40.13 C ATOM 1099 CD GLU A 72 -11.353 25.728 14.982 1.00 21.33 C ATOM 1100 OE1 GLU A 72 -10.583 25.687 15.964 1.00 21.40 O ATOM 1101 OE2 GLU A 72 -12.244 26.592 14.846 1.00 34.42 O ATOM 0 H GLU A 72 -8.232 22.409 13.164 1.00 10.42 H new ATOM 0 HA GLU A 72 -8.747 25.204 13.501 1.00 63.35 H new ATOM 0 HB2 GLU A 72 -10.198 22.817 13.553 1.00 51.41 H new ATOM 0 HB3 GLU A 72 -10.209 23.324 15.231 1.00 51.41 H new ATOM 0 HG2 GLU A 72 -10.983 25.169 12.950 1.00 40.13 H new ATOM 0 HG3 GLU A 72 -12.138 24.143 13.778 1.00 40.13 H new ATOM 1108 N LYS A 73 -7.805 23.458 16.156 1.00 62.40 N ATOM 1109 CA LYS A 73 -7.215 23.575 17.484 1.00 23.31 C ATOM 1110 C LYS A 73 -5.898 24.342 17.429 1.00 71.53 C ATOM 1111 O LYS A 73 -5.483 24.955 18.413 1.00 62.11 O ATOM 1112 CB LYS A 73 -6.984 22.187 18.086 1.00 35.44 C ATOM 1113 CG LYS A 73 -7.419 22.073 19.538 1.00 0.54 C ATOM 1114 CD LYS A 73 -7.836 20.655 19.886 1.00 33.24 C ATOM 1115 CE LYS A 73 -9.174 20.630 20.611 1.00 51.13 C ATOM 1116 NZ LYS A 73 -10.308 20.925 19.692 1.00 2.41 N ATOM 0 H LYS A 73 -7.993 22.500 15.861 1.00 62.40 H new ATOM 0 HA LYS A 73 -7.911 24.127 18.116 1.00 23.31 H new ATOM 0 HB2 LYS A 73 -7.525 21.449 17.494 1.00 35.44 H new ATOM 0 HB3 LYS A 73 -5.925 21.940 18.012 1.00 35.44 H new ATOM 0 HG2 LYS A 73 -6.601 22.383 20.189 1.00 0.54 H new ATOM 0 HG3 LYS A 73 -8.250 22.753 19.724 1.00 0.54 H new ATOM 0 HD2 LYS A 73 -7.903 20.060 18.975 1.00 33.24 H new ATOM 0 HD3 LYS A 73 -7.073 20.193 20.512 1.00 33.24 H new ATOM 0 HE2 LYS A 73 -9.322 19.651 21.067 1.00 51.13 H new ATOM 0 HE3 LYS A 73 -9.163 21.360 21.420 1.00 51.13 H new ATOM 0 HZ1 LYS A 73 -11.189 20.999 20.240 1.00 2.41 H new ATOM 0 HZ2 LYS A 73 -10.131 21.823 19.199 1.00 2.41 H new ATOM 0 HZ3 LYS A 73 -10.398 20.159 18.994 1.00 2.41 H new ATOM 1130 N PHE A 74 -5.244 24.304 16.273 1.00 62.25 N ATOM 1131 CA PHE A 74 -3.973 24.995 16.089 1.00 35.14 C ATOM 1132 C PHE A 74 -4.193 26.398 15.530 1.00 14.22 C ATOM 1133 O PHE A 74 -3.375 27.294 15.731 1.00 5.14 O ATOM 1134 CB PHE A 74 -3.064 24.198 15.152 1.00 34.42 C ATOM 1135 CG PHE A 74 -1.661 24.728 15.082 1.00 11.45 C ATOM 1136 CD1 PHE A 74 -1.351 25.795 14.254 1.00 51.24 C ATOM 1137 CD2 PHE A 74 -0.654 24.162 15.845 1.00 23.41 C ATOM 1138 CE1 PHE A 74 -0.061 26.286 14.187 1.00 42.11 C ATOM 1139 CE2 PHE A 74 0.638 24.649 15.783 1.00 23.14 C ATOM 1140 CZ PHE A 74 0.935 25.711 14.952 1.00 3.54 C ATOM 0 H PHE A 74 -5.573 23.802 15.449 1.00 62.25 H new ATOM 0 HA PHE A 74 -3.492 25.081 17.063 1.00 35.14 H new ATOM 0 HB2 PHE A 74 -3.035 23.160 15.483 1.00 34.42 H new ATOM 0 HB3 PHE A 74 -3.495 24.201 14.151 1.00 34.42 H new ATOM 0 HD1 PHE A 74 -2.126 26.248 13.654 1.00 51.24 H new ATOM 0 HD2 PHE A 74 -0.881 23.331 16.496 1.00 23.41 H new ATOM 0 HE1 PHE A 74 0.168 27.118 13.538 1.00 42.11 H new ATOM 0 HE2 PHE A 74 1.415 24.199 16.384 1.00 23.14 H new ATOM 0 HZ PHE A 74 1.944 26.091 14.900 1.00 3.54 H new ATOM 1150 N GLY A 75 -5.307 26.581 14.826 1.00 74.54 N ATOM 1151 CA GLY A 75 -5.616 27.875 14.248 1.00 42.42 C ATOM 1152 C GLY A 75 -5.346 27.923 12.757 1.00 25.21 C ATOM 1153 O GLY A 75 -4.849 26.957 12.177 1.00 23.22 O ATOM 0 H GLY A 75 -6.001 25.855 14.646 1.00 74.54 H new ATOM 0 HA2 GLY A 75 -6.664 28.111 14.432 1.00 42.42 H new ATOM 0 HA3 GLY A 75 -5.024 28.643 14.746 1.00 42.42 H new ATOM 1157 N SER A 76 -5.674 29.051 12.134 1.00 61.13 N ATOM 1158 CA SER A 76 -5.468 29.219 10.700 1.00 20.52 C ATOM 1159 C SER A 76 -3.984 29.352 10.376 1.00 43.54 C ATOM 1160 O SER A 76 -3.220 29.939 11.142 1.00 64.12 O ATOM 1161 CB SER A 76 -6.225 30.450 10.196 1.00 24.42 C ATOM 1162 OG SER A 76 -6.382 31.408 11.227 1.00 5.14 O ATOM 0 H SER A 76 -6.083 29.861 12.599 1.00 61.13 H new ATOM 0 HA SER A 76 -5.853 28.333 10.196 1.00 20.52 H new ATOM 0 HB2 SER A 76 -5.686 30.896 9.360 1.00 24.42 H new ATOM 0 HB3 SER A 76 -7.204 30.151 9.821 1.00 24.42 H new ATOM 0 HG SER A 76 -6.867 32.186 10.880 1.00 5.14 H new ATOM 1168 N SER A 77 -3.583 28.803 9.234 1.00 45.44 N ATOM 1169 CA SER A 77 -2.189 28.856 8.808 1.00 71.11 C ATOM 1170 C SER A 77 -2.050 28.432 7.349 1.00 61.33 C ATOM 1171 O SER A 77 -2.542 27.378 6.946 1.00 21.42 O ATOM 1172 CB SER A 77 -1.327 27.956 9.696 1.00 12.13 C ATOM 1173 OG SER A 77 -1.019 26.738 9.042 1.00 73.23 O ATOM 0 H SER A 77 -4.203 28.316 8.587 1.00 45.44 H new ATOM 0 HA SER A 77 -1.845 29.886 8.904 1.00 71.11 H new ATOM 0 HB2 SER A 77 -0.405 28.475 9.958 1.00 12.13 H new ATOM 0 HB3 SER A 77 -1.853 27.749 10.628 1.00 12.13 H new ATOM 0 HG SER A 77 -0.089 26.492 9.229 1.00 73.23 H new ATOM 1179 N LYS A 78 -1.375 29.261 6.561 1.00 12.40 N ATOM 1180 CA LYS A 78 -1.169 28.975 5.146 1.00 44.20 C ATOM 1181 C LYS A 78 -0.569 27.586 4.953 1.00 33.55 C ATOM 1182 O LYS A 78 -0.793 26.939 3.931 1.00 11.34 O ATOM 1183 CB LYS A 78 -0.251 30.029 4.519 1.00 73.53 C ATOM 1184 CG LYS A 78 -0.988 31.045 3.664 1.00 74.13 C ATOM 1185 CD LYS A 78 -1.037 32.407 4.334 1.00 31.54 C ATOM 1186 CE LYS A 78 -2.110 33.293 3.720 1.00 50.35 C ATOM 1187 NZ LYS A 78 -1.523 34.460 3.003 1.00 71.34 N ATOM 0 H LYS A 78 -0.961 30.137 6.878 1.00 12.40 H new ATOM 0 HA LYS A 78 -2.139 29.005 4.651 1.00 44.20 H new ATOM 0 HB2 LYS A 78 0.282 30.553 5.312 1.00 73.53 H new ATOM 0 HB3 LYS A 78 0.499 29.528 3.908 1.00 73.53 H new ATOM 0 HG2 LYS A 78 -0.495 31.132 2.696 1.00 74.13 H new ATOM 0 HG3 LYS A 78 -2.003 30.695 3.475 1.00 74.13 H new ATOM 0 HD2 LYS A 78 -1.232 32.283 5.399 1.00 31.54 H new ATOM 0 HD3 LYS A 78 -0.066 32.894 4.243 1.00 31.54 H new ATOM 0 HE2 LYS A 78 -2.712 32.706 3.026 1.00 50.35 H new ATOM 0 HE3 LYS A 78 -2.780 33.648 4.503 1.00 50.35 H new ATOM 0 HZ1 LYS A 78 -2.287 35.039 2.599 1.00 71.34 H new ATOM 0 HZ2 LYS A 78 -0.969 35.034 3.670 1.00 71.34 H new ATOM 0 HZ3 LYS A 78 -0.903 34.122 2.239 1.00 71.34 H new ATOM 1201 N GLU A 79 0.192 27.133 5.945 1.00 62.41 N ATOM 1202 CA GLU A 79 0.823 25.819 5.884 1.00 53.24 C ATOM 1203 C GLU A 79 -0.221 24.710 5.968 1.00 34.21 C ATOM 1204 O GLU A 79 -0.363 23.904 5.047 1.00 10.33 O ATOM 1205 CB GLU A 79 1.840 25.663 7.016 1.00 14.32 C ATOM 1206 CG GLU A 79 2.861 24.566 6.770 1.00 64.10 C ATOM 1207 CD GLU A 79 3.424 23.995 8.057 1.00 71.32 C ATOM 1208 OE1 GLU A 79 3.325 22.765 8.253 1.00 44.12 O ATOM 1209 OE2 GLU A 79 3.964 24.776 8.868 1.00 31.44 O ATOM 0 H GLU A 79 0.386 27.656 6.799 1.00 62.41 H new ATOM 0 HA GLU A 79 1.340 25.737 4.928 1.00 53.24 H new ATOM 0 HB2 GLU A 79 2.363 26.609 7.156 1.00 14.32 H new ATOM 0 HB3 GLU A 79 1.309 25.452 7.944 1.00 14.32 H new ATOM 0 HG2 GLU A 79 2.397 23.765 6.194 1.00 64.10 H new ATOM 0 HG3 GLU A 79 3.677 24.963 6.165 1.00 64.10 H new ATOM 1216 N ILE A 80 -0.950 24.674 7.079 1.00 3.23 N ATOM 1217 CA ILE A 80 -1.981 23.664 7.284 1.00 2.15 C ATOM 1218 C ILE A 80 -3.069 23.768 6.221 1.00 71.54 C ATOM 1219 O ILE A 80 -3.509 22.758 5.668 1.00 4.45 O ATOM 1220 CB ILE A 80 -2.626 23.794 8.677 1.00 55.33 C ATOM 1221 CG1 ILE A 80 -1.563 23.660 9.770 1.00 15.44 C ATOM 1222 CG2 ILE A 80 -3.713 22.744 8.856 1.00 30.43 C ATOM 1223 CD1 ILE A 80 -2.090 23.933 11.160 1.00 24.24 C ATOM 0 H ILE A 80 -0.845 25.333 7.851 1.00 3.23 H new ATOM 0 HA ILE A 80 -1.493 22.693 7.208 1.00 2.15 H new ATOM 0 HB ILE A 80 -3.083 24.780 8.760 1.00 55.33 H new ATOM 0 HG12 ILE A 80 -1.146 22.653 9.739 1.00 15.44 H new ATOM 0 HG13 ILE A 80 -0.746 24.350 9.558 1.00 15.44 H new ATOM 0 HG21 ILE A 80 -4.160 22.848 9.845 1.00 30.43 H new ATOM 0 HG22 ILE A 80 -4.481 22.882 8.095 1.00 30.43 H new ATOM 0 HG23 ILE A 80 -3.278 21.749 8.757 1.00 30.43 H new ATOM 0 HD11 ILE A 80 -1.283 23.820 11.884 1.00 24.24 H new ATOM 0 HD12 ILE A 80 -2.481 24.949 11.208 1.00 24.24 H new ATOM 0 HD13 ILE A 80 -2.887 23.227 11.392 1.00 24.24 H new ATOM 1235 N ASP A 81 -3.499 24.993 5.938 1.00 64.44 N ATOM 1236 CA ASP A 81 -4.535 25.227 4.938 1.00 5.00 C ATOM 1237 C ASP A 81 -4.150 24.603 3.600 1.00 25.03 C ATOM 1238 O ASP A 81 -4.968 23.956 2.948 1.00 61.01 O ATOM 1239 CB ASP A 81 -4.774 26.728 4.765 1.00 11.30 C ATOM 1240 CG ASP A 81 -6.120 27.030 4.137 1.00 11.22 C ATOM 1241 OD1 ASP A 81 -6.692 26.126 3.494 1.00 72.43 O ATOM 1242 OD2 ASP A 81 -6.602 28.173 4.289 1.00 60.34 O ATOM 0 H ASP A 81 -3.147 25.839 6.386 1.00 64.44 H new ATOM 0 HA ASP A 81 -5.455 24.757 5.286 1.00 5.00 H new ATOM 0 HB2 ASP A 81 -4.712 27.218 5.737 1.00 11.30 H new ATOM 0 HB3 ASP A 81 -3.984 27.150 4.144 1.00 11.30 H new ATOM 1247 N MET A 82 -2.899 24.804 3.197 1.00 62.51 N ATOM 1248 CA MET A 82 -2.406 24.260 1.937 1.00 33.21 C ATOM 1249 C MET A 82 -2.487 22.737 1.933 1.00 61.35 C ATOM 1250 O MET A 82 -2.982 22.135 0.981 1.00 40.24 O ATOM 1251 CB MET A 82 -0.963 24.707 1.694 1.00 65.50 C ATOM 1252 CG MET A 82 -0.852 26.005 0.912 1.00 53.33 C ATOM 1253 SD MET A 82 -1.001 25.758 -0.868 1.00 43.40 S ATOM 1254 CE MET A 82 -1.085 27.454 -1.439 1.00 33.11 C ATOM 0 H MET A 82 -2.209 25.339 3.724 1.00 62.51 H new ATOM 0 HA MET A 82 -3.037 24.641 1.134 1.00 33.21 H new ATOM 0 HB2 MET A 82 -0.462 24.827 2.655 1.00 65.50 H new ATOM 0 HB3 MET A 82 -0.434 23.921 1.155 1.00 65.50 H new ATOM 0 HG2 MET A 82 -1.629 26.693 1.246 1.00 53.33 H new ATOM 0 HG3 MET A 82 0.107 26.476 1.131 1.00 53.33 H new ATOM 0 HE1 MET A 82 -1.179 27.468 -2.525 1.00 33.11 H new ATOM 0 HE2 MET A 82 -1.950 27.946 -0.993 1.00 33.11 H new ATOM 0 HE3 MET A 82 -0.177 27.982 -1.147 1.00 33.11 H new ATOM 1264 N ALA A 83 -1.998 22.120 3.004 1.00 42.31 N ATOM 1265 CA ALA A 83 -2.017 20.668 3.124 1.00 64.25 C ATOM 1266 C ALA A 83 -3.418 20.116 2.883 1.00 71.53 C ATOM 1267 O ALA A 83 -3.584 19.084 2.230 1.00 12.13 O ATOM 1268 CB ALA A 83 -1.509 20.245 4.494 1.00 24.51 C ATOM 0 H ALA A 83 -1.584 22.604 3.801 1.00 42.31 H new ATOM 0 HA ALA A 83 -1.356 20.256 2.361 1.00 64.25 H new ATOM 0 HB1 ALA A 83 -1.529 19.158 4.570 1.00 24.51 H new ATOM 0 HB2 ALA A 83 -0.487 20.600 4.629 1.00 24.51 H new ATOM 0 HB3 ALA A 83 -2.147 20.674 5.267 1.00 24.51 H new ATOM 1274 N ILE A 84 -4.421 20.806 3.415 1.00 42.14 N ATOM 1275 CA ILE A 84 -5.806 20.384 3.256 1.00 74.33 C ATOM 1276 C ILE A 84 -6.234 20.437 1.794 1.00 2.13 C ATOM 1277 O ILE A 84 -6.810 19.485 1.268 1.00 50.24 O ATOM 1278 CB ILE A 84 -6.760 21.258 4.091 1.00 30.22 C ATOM 1279 CG1 ILE A 84 -6.398 21.173 5.575 1.00 1.25 C ATOM 1280 CG2 ILE A 84 -8.203 20.831 3.867 1.00 34.42 C ATOM 1281 CD1 ILE A 84 -7.162 22.150 6.441 1.00 51.24 C ATOM 0 H ILE A 84 -4.300 21.660 3.960 1.00 42.14 H new ATOM 0 HA ILE A 84 -5.864 19.355 3.611 1.00 74.33 H new ATOM 0 HB ILE A 84 -6.654 22.294 3.769 1.00 30.22 H new ATOM 0 HG12 ILE A 84 -6.588 20.160 5.930 1.00 1.25 H new ATOM 0 HG13 ILE A 84 -5.330 21.356 5.691 1.00 1.25 H new ATOM 0 HG21 ILE A 84 -8.865 21.458 4.464 1.00 34.42 H new ATOM 0 HG22 ILE A 84 -8.455 20.939 2.812 1.00 34.42 H new ATOM 0 HG23 ILE A 84 -8.325 19.789 4.164 1.00 34.42 H new ATOM 0 HD11 ILE A 84 -6.854 22.033 7.480 1.00 51.24 H new ATOM 0 HD12 ILE A 84 -6.953 23.168 6.113 1.00 51.24 H new ATOM 0 HD13 ILE A 84 -8.231 21.954 6.355 1.00 51.24 H new ATOM 1293 N VAL A 85 -5.947 21.559 1.141 1.00 41.51 N ATOM 1294 CA VAL A 85 -6.299 21.737 -0.264 1.00 4.34 C ATOM 1295 C VAL A 85 -5.620 20.688 -1.138 1.00 14.24 C ATOM 1296 O VAL A 85 -6.096 20.371 -2.228 1.00 75.22 O ATOM 1297 CB VAL A 85 -5.908 23.139 -0.766 1.00 13.34 C ATOM 1298 CG1 VAL A 85 -6.252 23.294 -2.239 1.00 55.20 C ATOM 1299 CG2 VAL A 85 -6.592 24.214 0.065 1.00 73.12 C ATOM 0 H VAL A 85 -5.472 22.358 1.562 1.00 41.51 H new ATOM 0 HA VAL A 85 -7.380 21.621 -0.337 1.00 4.34 H new ATOM 0 HB VAL A 85 -4.830 23.257 -0.654 1.00 13.34 H new ATOM 0 HG11 VAL A 85 -5.968 24.291 -2.576 1.00 55.20 H new ATOM 0 HG12 VAL A 85 -5.711 22.547 -2.820 1.00 55.20 H new ATOM 0 HG13 VAL A 85 -7.324 23.155 -2.379 1.00 55.20 H new ATOM 0 HG21 VAL A 85 -6.304 25.198 -0.305 1.00 73.12 H new ATOM 0 HG22 VAL A 85 -7.673 24.100 -0.012 1.00 73.12 H new ATOM 0 HG23 VAL A 85 -6.290 24.115 1.108 1.00 73.12 H new ATOM 1309 N THR A 86 -4.505 20.153 -0.651 1.00 74.34 N ATOM 1310 CA THR A 86 -3.761 19.139 -1.388 1.00 54.21 C ATOM 1311 C THR A 86 -4.432 17.775 -1.279 1.00 60.42 C ATOM 1312 O THR A 86 -4.838 17.188 -2.282 1.00 52.31 O ATOM 1313 CB THR A 86 -2.311 19.027 -0.880 1.00 2.14 C ATOM 1314 OG1 THR A 86 -1.594 20.230 -1.178 1.00 1.42 O ATOM 1315 CG2 THR A 86 -1.605 17.839 -1.516 1.00 3.34 C ATOM 0 H THR A 86 -4.098 20.405 0.250 1.00 74.34 H new ATOM 0 HA THR A 86 -3.750 19.452 -2.432 1.00 54.21 H new ATOM 0 HB THR A 86 -2.338 18.878 0.199 1.00 2.14 H new ATOM 0 HG1 THR A 86 -1.903 20.950 -0.589 1.00 1.42 H new ATOM 0 HG21 THR A 86 -0.583 17.780 -1.142 1.00 3.34 H new ATOM 0 HG22 THR A 86 -2.137 16.922 -1.263 1.00 3.34 H new ATOM 0 HG23 THR A 86 -1.589 17.963 -2.599 1.00 3.34 H new ATOM 1323 N LEU A 87 -4.547 17.274 -0.053 1.00 41.51 N ATOM 1324 CA LEU A 87 -5.171 15.978 0.188 1.00 71.32 C ATOM 1325 C LEU A 87 -6.562 15.918 -0.434 1.00 20.11 C ATOM 1326 O LEU A 87 -7.053 14.845 -0.785 1.00 61.21 O ATOM 1327 CB LEU A 87 -5.259 15.704 1.690 1.00 22.20 C ATOM 1328 CG LEU A 87 -5.837 16.832 2.545 1.00 34.45 C ATOM 1329 CD1 LEU A 87 -7.357 16.779 2.542 1.00 34.21 C ATOM 1330 CD2 LEU A 87 -5.303 16.752 3.967 1.00 62.41 C ATOM 0 H LEU A 87 -4.216 17.746 0.789 1.00 41.51 H new ATOM 0 HA LEU A 87 -4.552 15.212 -0.279 1.00 71.32 H new ATOM 0 HB2 LEU A 87 -5.867 14.812 1.841 1.00 22.20 H new ATOM 0 HB3 LEU A 87 -4.259 15.474 2.056 1.00 22.20 H new ATOM 0 HG LEU A 87 -5.525 17.784 2.114 1.00 34.45 H new ATOM 0 HD11 LEU A 87 -7.751 17.589 3.156 1.00 34.21 H new ATOM 0 HD12 LEU A 87 -7.723 16.887 1.521 1.00 34.21 H new ATOM 0 HD13 LEU A 87 -7.689 15.823 2.947 1.00 34.21 H new ATOM 0 HD21 LEU A 87 -5.725 17.563 4.560 1.00 62.41 H new ATOM 0 HD22 LEU A 87 -5.584 15.795 4.408 1.00 62.41 H new ATOM 0 HD23 LEU A 87 -4.217 16.840 3.953 1.00 62.41 H new ATOM 1342 N LYS A 88 -7.194 17.080 -0.570 1.00 21.21 N ATOM 1343 CA LYS A 88 -8.528 17.162 -1.153 1.00 72.04 C ATOM 1344 C LYS A 88 -8.465 17.055 -2.673 1.00 42.33 C ATOM 1345 O LYS A 88 -8.903 16.062 -3.254 1.00 74.21 O ATOM 1346 CB LYS A 88 -9.202 18.476 -0.751 1.00 1.22 C ATOM 1347 CG LYS A 88 -10.248 18.315 0.338 1.00 4.21 C ATOM 1348 CD LYS A 88 -10.138 19.413 1.383 1.00 75.34 C ATOM 1349 CE LYS A 88 -11.437 19.578 2.157 1.00 11.31 C ATOM 1350 NZ LYS A 88 -11.222 20.259 3.463 1.00 10.12 N ATOM 0 H LYS A 88 -6.803 17.978 -0.284 1.00 21.21 H new ATOM 0 HA LYS A 88 -9.116 16.327 -0.772 1.00 72.04 H new ATOM 0 HB2 LYS A 88 -8.439 19.176 -0.410 1.00 1.22 H new ATOM 0 HB3 LYS A 88 -9.670 18.918 -1.630 1.00 1.22 H new ATOM 0 HG2 LYS A 88 -11.243 18.333 -0.106 1.00 4.21 H new ATOM 0 HG3 LYS A 88 -10.130 17.343 0.816 1.00 4.21 H new ATOM 0 HD2 LYS A 88 -9.329 19.179 2.074 1.00 75.34 H new ATOM 0 HD3 LYS A 88 -9.880 20.354 0.898 1.00 75.34 H new ATOM 0 HE2 LYS A 88 -12.145 20.153 1.560 1.00 11.31 H new ATOM 0 HE3 LYS A 88 -11.885 18.599 2.327 1.00 11.31 H new ATOM 0 HZ1 LYS A 88 -12.110 20.262 4.004 1.00 10.12 H new ATOM 0 HZ2 LYS A 88 -10.490 19.753 4.002 1.00 10.12 H new ATOM 0 HZ3 LYS A 88 -10.915 21.239 3.297 1.00 10.12 H new ATOM 1364 N VAL A 89 -7.915 18.082 -3.312 1.00 11.40 N ATOM 1365 CA VAL A 89 -7.791 18.101 -4.765 1.00 11.35 C ATOM 1366 C VAL A 89 -7.117 16.834 -5.276 1.00 55.42 C ATOM 1367 O VAL A 89 -7.399 16.371 -6.382 1.00 54.24 O ATOM 1368 CB VAL A 89 -6.989 19.326 -5.243 1.00 52.02 C ATOM 1369 CG1 VAL A 89 -5.534 19.211 -4.817 1.00 4.42 C ATOM 1370 CG2 VAL A 89 -7.100 19.478 -6.753 1.00 52.33 C ATOM 0 H VAL A 89 -7.548 18.912 -2.847 1.00 11.40 H new ATOM 0 HA VAL A 89 -8.802 18.158 -5.169 1.00 11.35 H new ATOM 0 HB VAL A 89 -7.409 20.218 -4.778 1.00 52.02 H new ATOM 0 HG11 VAL A 89 -4.983 20.085 -5.164 1.00 4.42 H new ATOM 0 HG12 VAL A 89 -5.477 19.153 -3.730 1.00 4.42 H new ATOM 0 HG13 VAL A 89 -5.098 18.312 -5.252 1.00 4.42 H new ATOM 0 HG21 VAL A 89 -6.528 20.348 -7.074 1.00 52.33 H new ATOM 0 HG22 VAL A 89 -6.706 18.585 -7.238 1.00 52.33 H new ATOM 0 HG23 VAL A 89 -8.146 19.610 -7.030 1.00 52.33 H new ATOM 1380 N PHE A 90 -6.226 16.276 -4.465 1.00 4.13 N ATOM 1381 CA PHE A 90 -5.509 15.061 -4.835 1.00 55.23 C ATOM 1382 C PHE A 90 -6.438 13.850 -4.795 1.00 42.43 C ATOM 1383 O PHE A 90 -6.552 13.110 -5.772 1.00 52.22 O ATOM 1384 CB PHE A 90 -4.322 14.838 -3.898 1.00 25.22 C ATOM 1385 CG PHE A 90 -3.643 13.512 -4.093 1.00 54.02 C ATOM 1386 CD1 PHE A 90 -2.815 13.297 -5.183 1.00 74.52 C ATOM 1387 CD2 PHE A 90 -3.836 12.480 -3.188 1.00 41.30 C ATOM 1388 CE1 PHE A 90 -2.190 12.077 -5.366 1.00 4.22 C ATOM 1389 CE2 PHE A 90 -3.213 11.259 -3.366 1.00 42.14 C ATOM 1390 CZ PHE A 90 -2.390 11.058 -4.457 1.00 73.44 C ATOM 0 H PHE A 90 -5.982 16.646 -3.546 1.00 4.13 H new ATOM 0 HA PHE A 90 -5.140 15.182 -5.853 1.00 55.23 H new ATOM 0 HB2 PHE A 90 -3.595 15.635 -4.051 1.00 25.22 H new ATOM 0 HB3 PHE A 90 -4.665 14.913 -2.866 1.00 25.22 H new ATOM 0 HD1 PHE A 90 -2.656 14.091 -5.898 1.00 74.52 H new ATOM 0 HD2 PHE A 90 -4.480 12.632 -2.334 1.00 41.30 H new ATOM 0 HE1 PHE A 90 -1.546 11.922 -6.219 1.00 4.22 H new ATOM 0 HE2 PHE A 90 -3.370 10.463 -2.653 1.00 42.14 H new ATOM 0 HZ PHE A 90 -1.903 10.104 -4.599 1.00 73.44 H new ATOM 1400 N ALA A 91 -7.097 13.654 -3.659 1.00 4.31 N ATOM 1401 CA ALA A 91 -8.015 12.534 -3.491 1.00 10.15 C ATOM 1402 C ALA A 91 -9.018 12.470 -4.639 1.00 44.01 C ATOM 1403 O ALA A 91 -9.322 11.393 -5.151 1.00 43.11 O ATOM 1404 CB ALA A 91 -8.742 12.643 -2.159 1.00 41.21 C ATOM 0 H ALA A 91 -7.013 14.256 -2.840 1.00 4.31 H new ATOM 0 HA ALA A 91 -7.432 11.613 -3.500 1.00 10.15 H new ATOM 0 HB1 ALA A 91 -9.424 11.800 -2.047 1.00 41.21 H new ATOM 0 HB2 ALA A 91 -8.016 12.633 -1.346 1.00 41.21 H new ATOM 0 HB3 ALA A 91 -9.308 13.574 -2.128 1.00 41.21 H new ATOM 1410 N VAL A 92 -9.528 13.631 -5.038 1.00 51.24 N ATOM 1411 CA VAL A 92 -10.496 13.706 -6.126 1.00 43.14 C ATOM 1412 C VAL A 92 -9.815 13.539 -7.480 1.00 71.13 C ATOM 1413 O VAL A 92 -10.373 12.938 -8.397 1.00 32.01 O ATOM 1414 CB VAL A 92 -11.256 15.045 -6.109 1.00 35.22 C ATOM 1415 CG1 VAL A 92 -12.069 15.180 -4.830 1.00 10.21 C ATOM 1416 CG2 VAL A 92 -10.290 16.209 -6.262 1.00 3.44 C ATOM 0 H VAL A 92 -9.287 14.532 -4.624 1.00 51.24 H new ATOM 0 HA VAL A 92 -11.205 12.892 -5.976 1.00 43.14 H new ATOM 0 HB VAL A 92 -11.945 15.063 -6.954 1.00 35.22 H new ATOM 0 HG11 VAL A 92 -12.600 16.132 -4.835 1.00 10.21 H new ATOM 0 HG12 VAL A 92 -12.789 14.364 -4.769 1.00 10.21 H new ATOM 0 HG13 VAL A 92 -11.402 15.141 -3.969 1.00 10.21 H new ATOM 0 HG21 VAL A 92 -10.845 17.147 -6.248 1.00 3.44 H new ATOM 0 HG22 VAL A 92 -9.574 16.198 -5.440 1.00 3.44 H new ATOM 0 HG23 VAL A 92 -9.757 16.117 -7.208 1.00 3.44 H new ATOM 1426 N ALA A 93 -8.605 14.075 -7.598 1.00 64.13 N ATOM 1427 CA ALA A 93 -7.845 13.983 -8.839 1.00 31.22 C ATOM 1428 C ALA A 93 -7.252 12.590 -9.018 1.00 62.45 C ATOM 1429 O ALA A 93 -6.660 12.284 -10.052 1.00 21.03 O ATOM 1430 CB ALA A 93 -6.746 15.033 -8.864 1.00 1.53 C ATOM 0 H ALA A 93 -8.129 14.578 -6.849 1.00 64.13 H new ATOM 0 HA ALA A 93 -8.528 14.168 -9.668 1.00 31.22 H new ATOM 0 HB1 ALA A 93 -6.187 14.952 -9.796 1.00 1.53 H new ATOM 0 HB2 ALA A 93 -7.190 16.026 -8.792 1.00 1.53 H new ATOM 0 HB3 ALA A 93 -6.072 14.875 -8.022 1.00 1.53 H new ATOM 1436 N GLY A 94 -7.415 11.747 -8.002 1.00 45.44 N ATOM 1437 CA GLY A 94 -6.889 10.396 -8.067 1.00 70.04 C ATOM 1438 C GLY A 94 -7.972 9.344 -7.930 1.00 30.15 C ATOM 1439 O GLY A 94 -8.244 8.596 -8.869 1.00 44.21 O ATOM 0 H GLY A 94 -7.902 11.976 -7.135 1.00 45.44 H new ATOM 0 HA2 GLY A 94 -6.370 10.257 -9.015 1.00 70.04 H new ATOM 0 HA3 GLY A 94 -6.151 10.258 -7.277 1.00 70.04 H new ATOM 1443 N LEU A 95 -8.592 9.287 -6.756 1.00 32.51 N ATOM 1444 CA LEU A 95 -9.651 8.317 -6.498 1.00 33.44 C ATOM 1445 C LEU A 95 -10.865 8.588 -7.381 1.00 4.34 C ATOM 1446 O LEU A 95 -11.552 7.661 -7.813 1.00 5.32 O ATOM 1447 CB LEU A 95 -10.060 8.360 -5.024 1.00 30.11 C ATOM 1448 CG LEU A 95 -9.011 7.875 -4.023 1.00 64.42 C ATOM 1449 CD1 LEU A 95 -8.373 6.580 -4.503 1.00 5.35 C ATOM 1450 CD2 LEU A 95 -7.951 8.943 -3.801 1.00 2.35 C ATOM 0 H LEU A 95 -8.380 9.900 -5.969 1.00 32.51 H new ATOM 0 HA LEU A 95 -9.267 7.325 -6.735 1.00 33.44 H new ATOM 0 HB2 LEU A 95 -10.327 9.386 -4.771 1.00 30.11 H new ATOM 0 HB3 LEU A 95 -10.959 7.756 -4.899 1.00 30.11 H new ATOM 0 HG LEU A 95 -9.507 7.681 -3.072 1.00 64.42 H new ATOM 0 HD11 LEU A 95 -7.629 6.250 -3.778 1.00 5.35 H new ATOM 0 HD12 LEU A 95 -9.141 5.814 -4.609 1.00 5.35 H new ATOM 0 HD13 LEU A 95 -7.891 6.747 -5.466 1.00 5.35 H new ATOM 0 HD21 LEU A 95 -7.213 8.580 -3.086 1.00 2.35 H new ATOM 0 HD22 LEU A 95 -7.459 9.169 -4.747 1.00 2.35 H new ATOM 0 HD23 LEU A 95 -8.421 9.846 -3.411 1.00 2.35 H new ATOM 1462 N LEU A 96 -11.123 9.864 -7.648 1.00 44.24 N ATOM 1463 CA LEU A 96 -12.252 10.258 -8.483 1.00 51.12 C ATOM 1464 C LEU A 96 -11.818 10.443 -9.934 1.00 75.12 C ATOM 1465 O LEU A 96 -12.631 10.768 -10.798 1.00 30.11 O ATOM 1466 CB LEU A 96 -12.875 11.552 -7.957 1.00 24.33 C ATOM 1467 CG LEU A 96 -14.400 11.570 -7.854 1.00 75.13 C ATOM 1468 CD1 LEU A 96 -14.881 10.530 -6.854 1.00 21.02 C ATOM 1469 CD2 LEU A 96 -14.892 12.956 -7.463 1.00 54.21 C ATOM 0 H LEU A 96 -10.565 10.643 -7.298 1.00 44.24 H new ATOM 0 HA LEU A 96 -12.996 9.462 -8.444 1.00 51.12 H new ATOM 0 HB2 LEU A 96 -12.462 11.755 -6.969 1.00 24.33 H new ATOM 0 HB3 LEU A 96 -12.565 12.371 -8.606 1.00 24.33 H new ATOM 0 HG LEU A 96 -14.813 11.322 -8.832 1.00 75.13 H new ATOM 0 HD11 LEU A 96 -15.969 10.558 -6.795 1.00 21.02 H new ATOM 0 HD12 LEU A 96 -14.561 9.539 -7.177 1.00 21.02 H new ATOM 0 HD13 LEU A 96 -14.458 10.746 -5.873 1.00 21.02 H new ATOM 0 HD21 LEU A 96 -15.980 12.950 -7.394 1.00 54.21 H new ATOM 0 HD22 LEU A 96 -14.469 13.233 -6.497 1.00 54.21 H new ATOM 0 HD23 LEU A 96 -14.580 13.679 -8.217 1.00 54.21 H new ATOM 1481 N ASN A 97 -10.532 10.232 -10.194 1.00 24.32 N ATOM 1482 CA ASN A 97 -9.991 10.374 -11.540 1.00 64.31 C ATOM 1483 C ASN A 97 -10.297 11.757 -12.106 1.00 52.34 C ATOM 1484 O ASN A 97 -10.803 11.885 -13.221 1.00 34.32 O ATOM 1485 CB ASN A 97 -10.567 9.295 -12.460 1.00 4.24 C ATOM 1486 CG ASN A 97 -10.681 7.949 -11.771 1.00 74.32 C ATOM 1487 OD1 ASN A 97 -11.701 7.641 -11.152 1.00 5.21 O ATOM 1488 ND2 ASN A 97 -9.635 7.140 -11.875 1.00 45.42 N ATOM 0 H ASN A 97 -9.845 9.962 -9.490 1.00 24.32 H new ATOM 0 HA ASN A 97 -8.909 10.255 -11.484 1.00 64.31 H new ATOM 0 HB2 ASN A 97 -11.552 9.606 -12.809 1.00 4.24 H new ATOM 0 HB3 ASN A 97 -9.933 9.197 -13.341 1.00 4.24 H new ATOM 0 HD21 ASN A 97 -9.655 6.221 -11.432 1.00 45.42 H new ATOM 0 HD22 ASN A 97 -8.811 7.437 -12.398 1.00 45.42 H new ATOM 1495 N MET A 98 -9.984 12.790 -11.331 1.00 24.43 N ATOM 1496 CA MET A 98 -10.224 14.164 -11.756 1.00 3.43 C ATOM 1497 C MET A 98 -11.718 14.440 -11.887 1.00 52.30 C ATOM 1498 O MET A 98 -12.388 13.888 -12.761 1.00 52.43 O ATOM 1499 CB MET A 98 -9.523 14.438 -13.089 1.00 30.55 C ATOM 1500 CG MET A 98 -8.860 15.804 -13.157 1.00 14.12 C ATOM 1501 SD MET A 98 -8.709 16.419 -14.845 1.00 42.04 S ATOM 1502 CE MET A 98 -10.240 17.333 -15.011 1.00 44.11 C ATOM 0 H MET A 98 -9.564 12.702 -10.406 1.00 24.43 H new ATOM 0 HA MET A 98 -9.816 14.830 -10.996 1.00 3.43 H new ATOM 0 HB2 MET A 98 -8.770 13.669 -13.259 1.00 30.55 H new ATOM 0 HB3 MET A 98 -10.251 14.356 -13.896 1.00 30.55 H new ATOM 0 HG2 MET A 98 -9.438 16.514 -12.566 1.00 14.12 H new ATOM 0 HG3 MET A 98 -7.870 15.746 -12.706 1.00 14.12 H new ATOM 0 HE1 MET A 98 -10.294 17.775 -16.006 1.00 44.11 H new ATOM 0 HE2 MET A 98 -11.084 16.658 -14.867 1.00 44.11 H new ATOM 0 HE3 MET A 98 -10.275 18.123 -14.261 1.00 44.11 H new ATOM 1512 N THR A 99 -12.237 15.297 -11.014 1.00 0.21 N ATOM 1513 CA THR A 99 -13.652 15.645 -11.032 1.00 74.43 C ATOM 1514 C THR A 99 -13.891 17.012 -10.403 1.00 23.13 C ATOM 1515 O THR A 99 -14.817 17.189 -9.610 1.00 42.32 O ATOM 1516 CB THR A 99 -14.498 14.594 -10.287 1.00 42.20 C ATOM 1517 OG1 THR A 99 -13.939 13.290 -10.478 1.00 23.23 O ATOM 1518 CG2 THR A 99 -15.937 14.611 -10.779 1.00 72.22 C ATOM 0 H THR A 99 -11.698 15.763 -10.285 1.00 0.21 H new ATOM 0 HA THR A 99 -13.957 15.672 -12.078 1.00 74.43 H new ATOM 0 HB THR A 99 -14.490 14.840 -9.225 1.00 42.20 H new ATOM 0 HG1 THR A 99 -14.661 12.640 -10.606 1.00 23.23 H new ATOM 0 HG21 THR A 99 -16.515 13.861 -10.239 1.00 72.22 H new ATOM 0 HG22 THR A 99 -16.369 15.596 -10.606 1.00 72.22 H new ATOM 0 HG23 THR A 99 -15.960 14.388 -11.846 1.00 72.22 H new ATOM 1526 N VAL A 100 -13.050 17.977 -10.760 1.00 23.24 N ATOM 1527 CA VAL A 100 -13.171 19.331 -10.230 1.00 70.14 C ATOM 1528 C VAL A 100 -12.677 20.362 -11.240 1.00 35.53 C ATOM 1529 O VAL A 100 -12.360 20.026 -12.381 1.00 31.03 O ATOM 1530 CB VAL A 100 -12.381 19.493 -8.919 1.00 1.14 C ATOM 1531 CG1 VAL A 100 -12.838 18.472 -7.889 1.00 73.52 C ATOM 1532 CG2 VAL A 100 -10.887 19.369 -9.178 1.00 71.12 C ATOM 0 H VAL A 100 -12.278 17.847 -11.414 1.00 23.24 H new ATOM 0 HA VAL A 100 -14.229 19.500 -10.030 1.00 70.14 H new ATOM 0 HB VAL A 100 -12.576 20.488 -8.519 1.00 1.14 H new ATOM 0 HG11 VAL A 100 -12.268 18.603 -6.969 1.00 73.52 H new ATOM 0 HG12 VAL A 100 -13.899 18.614 -7.682 1.00 73.52 H new ATOM 0 HG13 VAL A 100 -12.676 17.466 -8.277 1.00 73.52 H new ATOM 0 HG21 VAL A 100 -10.344 19.486 -8.240 1.00 71.12 H new ATOM 0 HG22 VAL A 100 -10.671 18.388 -9.602 1.00 71.12 H new ATOM 0 HG23 VAL A 100 -10.574 20.144 -9.878 1.00 71.12 H new ATOM 1542 N SER A 101 -12.613 21.618 -10.811 1.00 13.14 N ATOM 1543 CA SER A 101 -12.161 22.700 -11.677 1.00 55.43 C ATOM 1544 C SER A 101 -10.952 23.410 -11.075 1.00 75.52 C ATOM 1545 O SER A 101 -9.993 23.733 -11.776 1.00 13.22 O ATOM 1546 CB SER A 101 -13.293 23.703 -11.910 1.00 64.43 C ATOM 1547 OG SER A 101 -13.972 23.432 -13.123 1.00 74.42 O ATOM 0 H SER A 101 -12.869 21.912 -9.868 1.00 13.14 H new ATOM 0 HA SER A 101 -11.867 22.267 -12.633 1.00 55.43 H new ATOM 0 HB2 SER A 101 -13.997 23.662 -11.079 1.00 64.43 H new ATOM 0 HB3 SER A 101 -12.888 24.715 -11.935 1.00 64.43 H new ATOM 0 HG SER A 101 -14.692 24.085 -13.248 1.00 74.42 H new ATOM 1553 N THR A 102 -11.006 23.650 -9.769 1.00 22.12 N ATOM 1554 CA THR A 102 -9.918 24.322 -9.069 1.00 52.50 C ATOM 1555 C THR A 102 -9.692 23.715 -7.691 1.00 25.24 C ATOM 1556 O THR A 102 -10.561 23.028 -7.154 1.00 0.02 O ATOM 1557 CB THR A 102 -10.197 25.829 -8.914 1.00 45.51 C ATOM 1558 OG1 THR A 102 -11.177 26.044 -7.893 1.00 12.45 O ATOM 1559 CG2 THR A 102 -10.684 26.428 -10.226 1.00 74.31 C ATOM 0 H THR A 102 -11.792 23.389 -9.174 1.00 22.12 H new ATOM 0 HA THR A 102 -9.021 24.185 -9.674 1.00 52.50 H new ATOM 0 HB THR A 102 -9.266 26.320 -8.632 1.00 45.51 H new ATOM 0 HG1 THR A 102 -11.347 27.005 -7.800 1.00 12.45 H new ATOM 0 HG21 THR A 102 -10.874 27.493 -10.091 1.00 74.31 H new ATOM 0 HG22 THR A 102 -9.923 26.290 -10.994 1.00 74.31 H new ATOM 0 HG23 THR A 102 -11.604 25.931 -10.534 1.00 74.31 H new ATOM 1567 N ALA A 103 -8.519 23.973 -7.120 1.00 14.02 N ATOM 1568 CA ALA A 103 -8.180 23.452 -5.801 1.00 12.54 C ATOM 1569 C ALA A 103 -9.245 23.825 -4.774 1.00 1.21 C ATOM 1570 O ALA A 103 -9.625 23.007 -3.937 1.00 54.35 O ATOM 1571 CB ALA A 103 -6.819 23.971 -5.364 1.00 44.03 C ATOM 0 H ALA A 103 -7.788 24.540 -7.550 1.00 14.02 H new ATOM 0 HA ALA A 103 -8.139 22.365 -5.865 1.00 12.54 H new ATOM 0 HB1 ALA A 103 -6.578 23.575 -4.378 1.00 44.03 H new ATOM 0 HB2 ALA A 103 -6.061 23.651 -6.079 1.00 44.03 H new ATOM 0 HB3 ALA A 103 -6.841 25.060 -5.322 1.00 44.03 H new ATOM 1577 N ALA A 104 -9.720 25.064 -4.844 1.00 12.20 N ATOM 1578 CA ALA A 104 -10.741 25.543 -3.922 1.00 34.24 C ATOM 1579 C ALA A 104 -12.047 24.775 -4.100 1.00 22.20 C ATOM 1580 O ALA A 104 -12.679 24.371 -3.124 1.00 42.33 O ATOM 1581 CB ALA A 104 -10.972 27.034 -4.119 1.00 33.23 C ATOM 0 H ALA A 104 -9.414 25.754 -5.530 1.00 12.20 H new ATOM 0 HA ALA A 104 -10.386 25.372 -2.906 1.00 34.24 H new ATOM 0 HB1 ALA A 104 -11.737 27.379 -3.424 1.00 33.23 H new ATOM 0 HB2 ALA A 104 -10.043 27.574 -3.933 1.00 33.23 H new ATOM 0 HB3 ALA A 104 -11.301 27.219 -5.142 1.00 33.23 H new ATOM 1587 N ALA A 105 -12.446 24.578 -5.352 1.00 11.35 N ATOM 1588 CA ALA A 105 -13.676 23.858 -5.658 1.00 64.20 C ATOM 1589 C ALA A 105 -13.630 22.437 -5.106 1.00 13.15 C ATOM 1590 O ALA A 105 -14.661 21.871 -4.741 1.00 42.01 O ATOM 1591 CB ALA A 105 -13.915 23.835 -7.160 1.00 44.44 C ATOM 0 H ALA A 105 -11.935 24.907 -6.171 1.00 11.35 H new ATOM 0 HA ALA A 105 -14.503 24.381 -5.178 1.00 64.20 H new ATOM 0 HB1 ALA A 105 -14.837 23.294 -7.373 1.00 44.44 H new ATOM 0 HB2 ALA A 105 -14.000 24.857 -7.531 1.00 44.44 H new ATOM 0 HB3 ALA A 105 -13.080 23.338 -7.654 1.00 44.44 H new ATOM 1597 N ALA A 106 -12.432 21.867 -5.048 1.00 71.00 N ATOM 1598 CA ALA A 106 -12.254 20.513 -4.539 1.00 42.23 C ATOM 1599 C ALA A 106 -12.464 20.461 -3.030 1.00 64.21 C ATOM 1600 O ALA A 106 -13.192 19.609 -2.525 1.00 73.04 O ATOM 1601 CB ALA A 106 -10.870 19.992 -4.900 1.00 54.14 C ATOM 0 H ALA A 106 -11.569 22.322 -5.347 1.00 71.00 H new ATOM 0 HA ALA A 106 -13.004 19.874 -5.005 1.00 42.23 H new ATOM 0 HB1 ALA A 106 -10.750 18.980 -4.514 1.00 54.14 H new ATOM 0 HB2 ALA A 106 -10.756 19.983 -5.984 1.00 54.14 H new ATOM 0 HB3 ALA A 106 -10.111 20.640 -4.461 1.00 54.14 H new ATOM 1607 N GLU A 107 -11.820 21.379 -2.316 1.00 41.41 N ATOM 1608 CA GLU A 107 -11.936 21.437 -0.863 1.00 52.04 C ATOM 1609 C GLU A 107 -13.383 21.675 -0.442 1.00 52.52 C ATOM 1610 O GLU A 107 -13.932 20.939 0.376 1.00 70.15 O ATOM 1611 CB GLU A 107 -11.040 22.541 -0.301 1.00 14.54 C ATOM 1612 CG GLU A 107 -11.094 22.656 1.213 1.00 1.53 C ATOM 1613 CD GLU A 107 -11.125 24.097 1.688 1.00 42.22 C ATOM 1614 OE1 GLU A 107 -10.333 24.440 2.590 1.00 2.35 O ATOM 1615 OE2 GLU A 107 -11.942 24.879 1.159 1.00 73.12 O ATOM 0 H GLU A 107 -11.213 22.092 -2.720 1.00 41.41 H new ATOM 0 HA GLU A 107 -11.612 20.478 -0.460 1.00 52.04 H new ATOM 0 HB2 GLU A 107 -10.011 22.353 -0.606 1.00 14.54 H new ATOM 0 HB3 GLU A 107 -11.333 23.494 -0.740 1.00 14.54 H new ATOM 0 HG2 GLU A 107 -11.978 22.137 1.582 1.00 1.53 H new ATOM 0 HG3 GLU A 107 -10.227 22.154 1.643 1.00 1.53 H new ATOM 1622 N ASN A 108 -13.994 22.711 -1.007 1.00 41.24 N ATOM 1623 CA ASN A 108 -15.377 23.049 -0.691 1.00 20.41 C ATOM 1624 C ASN A 108 -16.314 21.900 -1.053 1.00 11.55 C ATOM 1625 O ASN A 108 -17.303 21.654 -0.365 1.00 75.22 O ATOM 1626 CB ASN A 108 -15.797 24.319 -1.433 1.00 2.12 C ATOM 1627 CG ASN A 108 -16.795 25.146 -0.646 1.00 50.41 C ATOM 1628 OD1 ASN A 108 -17.890 24.681 -0.329 1.00 21.13 O ATOM 1629 ND2 ASN A 108 -16.420 26.379 -0.328 1.00 21.33 N ATOM 0 H ASN A 108 -13.553 23.331 -1.686 1.00 41.24 H new ATOM 0 HA ASN A 108 -15.445 23.225 0.382 1.00 20.41 H new ATOM 0 HB2 ASN A 108 -14.914 24.923 -1.642 1.00 2.12 H new ATOM 0 HB3 ASN A 108 -16.233 24.047 -2.395 1.00 2.12 H new ATOM 0 HD21 ASN A 108 -17.049 26.983 0.200 1.00 21.33 H new ATOM 0 HD22 ASN A 108 -15.502 26.722 -0.612 1.00 21.33 H new ATOM 1636 N MET A 109 -15.994 21.204 -2.139 1.00 31.33 N ATOM 1637 CA MET A 109 -16.807 20.081 -2.592 1.00 71.00 C ATOM 1638 C MET A 109 -16.665 18.891 -1.648 1.00 3.11 C ATOM 1639 O MET A 109 -17.656 18.282 -1.248 1.00 34.30 O ATOM 1640 CB MET A 109 -16.405 19.672 -4.010 1.00 52.55 C ATOM 1641 CG MET A 109 -17.077 18.397 -4.489 1.00 75.43 C ATOM 1642 SD MET A 109 -16.593 17.941 -6.165 1.00 25.13 S ATOM 1643 CE MET A 109 -15.919 16.304 -5.890 1.00 0.23 C ATOM 0 H MET A 109 -15.179 21.397 -2.721 1.00 31.33 H new ATOM 0 HA MET A 109 -17.850 20.398 -2.595 1.00 71.00 H new ATOM 0 HB2 MET A 109 -16.651 20.482 -4.696 1.00 52.55 H new ATOM 0 HB3 MET A 109 -15.324 19.539 -4.048 1.00 52.55 H new ATOM 0 HG2 MET A 109 -16.827 17.582 -3.809 1.00 75.43 H new ATOM 0 HG3 MET A 109 -18.159 18.525 -4.450 1.00 75.43 H new ATOM 0 HE1 MET A 109 -15.576 15.888 -6.837 1.00 0.23 H new ATOM 0 HE2 MET A 109 -15.080 16.368 -5.197 1.00 0.23 H new ATOM 0 HE3 MET A 109 -16.690 15.659 -5.469 1.00 0.23 H new ATOM 1653 N TYR A 110 -15.426 18.565 -1.296 1.00 1.01 N ATOM 1654 CA TYR A 110 -15.154 17.447 -0.402 1.00 71.52 C ATOM 1655 C TYR A 110 -15.939 17.586 0.899 1.00 2.23 C ATOM 1656 O TYR A 110 -16.514 16.618 1.398 1.00 4.24 O ATOM 1657 CB TYR A 110 -13.657 17.359 -0.101 1.00 3.33 C ATOM 1658 CG TYR A 110 -13.134 15.942 -0.039 1.00 62.44 C ATOM 1659 CD1 TYR A 110 -12.593 15.431 1.136 1.00 53.42 C ATOM 1660 CD2 TYR A 110 -13.179 15.114 -1.153 1.00 50.22 C ATOM 1661 CE1 TYR A 110 -12.113 14.137 1.197 1.00 52.14 C ATOM 1662 CE2 TYR A 110 -12.702 13.818 -1.101 1.00 34.14 C ATOM 1663 CZ TYR A 110 -12.171 13.335 0.076 1.00 43.02 C ATOM 1664 OH TYR A 110 -11.694 12.045 0.132 1.00 70.21 O ATOM 0 H TYR A 110 -14.594 19.060 -1.617 1.00 1.01 H new ATOM 0 HA TYR A 110 -15.471 16.531 -0.901 1.00 71.52 H new ATOM 0 HB2 TYR A 110 -13.108 17.907 -0.867 1.00 3.33 H new ATOM 0 HB3 TYR A 110 -13.456 17.853 0.850 1.00 3.33 H new ATOM 0 HD1 TYR A 110 -12.547 16.056 2.015 1.00 53.42 H new ATOM 0 HD2 TYR A 110 -13.594 15.490 -2.077 1.00 50.22 H new ATOM 0 HE1 TYR A 110 -11.695 13.756 2.117 1.00 52.14 H new ATOM 0 HE2 TYR A 110 -12.745 13.188 -1.977 1.00 34.14 H new ATOM 0 HH TYR A 110 -11.810 11.615 -0.741 1.00 70.21 H new ATOM 1674 N SER A 111 -15.958 18.799 1.443 1.00 13.03 N ATOM 1675 CA SER A 111 -16.669 19.067 2.688 1.00 43.34 C ATOM 1676 C SER A 111 -18.169 19.195 2.440 1.00 25.51 C ATOM 1677 O SER A 111 -18.982 18.764 3.258 1.00 74.25 O ATOM 1678 CB SER A 111 -16.138 20.346 3.339 1.00 44.31 C ATOM 1679 OG SER A 111 -16.710 21.497 2.743 1.00 13.42 O ATOM 0 H SER A 111 -15.490 19.611 1.041 1.00 13.03 H new ATOM 0 HA SER A 111 -16.499 18.227 3.362 1.00 43.34 H new ATOM 0 HB2 SER A 111 -16.363 20.335 4.406 1.00 44.31 H new ATOM 0 HB3 SER A 111 -15.053 20.384 3.242 1.00 44.31 H new ATOM 0 HG SER A 111 -16.356 22.301 3.178 1.00 13.42 H new ATOM 1685 N GLN A 112 -18.526 19.789 1.307 1.00 32.13 N ATOM 1686 CA GLN A 112 -19.929 19.975 0.951 1.00 21.31 C ATOM 1687 C GLN A 112 -20.674 18.643 0.962 1.00 5.34 C ATOM 1688 O GLN A 112 -21.860 18.589 1.281 1.00 73.13 O ATOM 1689 CB GLN A 112 -20.045 20.626 -0.427 1.00 10.24 C ATOM 1690 CG GLN A 112 -21.477 20.744 -0.926 1.00 25.50 C ATOM 1691 CD GLN A 112 -21.662 21.885 -1.907 1.00 42.01 C ATOM 1692 OE1 GLN A 112 -21.946 23.017 -1.514 1.00 33.50 O ATOM 1693 NE2 GLN A 112 -21.499 21.593 -3.192 1.00 13.11 N ATOM 0 H GLN A 112 -17.865 20.150 0.619 1.00 32.13 H new ATOM 0 HA GLN A 112 -20.383 20.631 1.694 1.00 21.31 H new ATOM 0 HB2 GLN A 112 -19.599 21.620 -0.389 1.00 10.24 H new ATOM 0 HB3 GLN A 112 -19.466 20.044 -1.144 1.00 10.24 H new ATOM 0 HG2 GLN A 112 -21.769 19.809 -1.403 1.00 25.50 H new ATOM 0 HG3 GLN A 112 -22.143 20.890 -0.076 1.00 25.50 H new ATOM 0 HE21 GLN A 112 -21.264 20.641 -3.473 1.00 13.11 H new ATOM 0 HE22 GLN A 112 -21.609 22.321 -3.898 1.00 13.11 H new ATOM 1702 N MET A 113 -19.967 17.574 0.612 1.00 54.45 N ATOM 1703 CA MET A 113 -20.562 16.242 0.582 1.00 35.11 C ATOM 1704 C MET A 113 -20.496 15.586 1.958 1.00 15.33 C ATOM 1705 O MET A 113 -21.301 14.713 2.278 1.00 21.15 O ATOM 1706 CB MET A 113 -19.849 15.364 -0.449 1.00 11.55 C ATOM 1707 CG MET A 113 -20.792 14.715 -1.449 1.00 31.21 C ATOM 1708 SD MET A 113 -20.554 15.330 -3.128 1.00 61.41 S ATOM 1709 CE MET A 113 -19.414 14.111 -3.777 1.00 31.43 C ATOM 0 H MET A 113 -18.983 17.603 0.345 1.00 54.45 H new ATOM 0 HA MET A 113 -21.609 16.346 0.298 1.00 35.11 H new ATOM 0 HB2 MET A 113 -19.121 15.970 -0.989 1.00 11.55 H new ATOM 0 HB3 MET A 113 -19.292 14.585 0.072 1.00 11.55 H new ATOM 0 HG2 MET A 113 -20.641 13.636 -1.437 1.00 31.21 H new ATOM 0 HG3 MET A 113 -21.822 14.897 -1.142 1.00 31.21 H new ATOM 0 HE1 MET A 113 -19.170 14.355 -4.811 1.00 31.43 H new ATOM 0 HE2 MET A 113 -18.502 14.111 -3.180 1.00 31.43 H new ATOM 0 HE3 MET A 113 -19.875 13.124 -3.736 1.00 31.43 H new ATOM 1719 N GLY A 114 -19.532 16.014 2.767 1.00 3.23 N ATOM 1720 CA GLY A 114 -19.379 15.457 4.098 1.00 24.44 C ATOM 1721 C GLY A 114 -18.159 14.566 4.217 1.00 42.30 C ATOM 1722 O GLY A 114 -18.146 13.622 5.009 1.00 62.25 O ATOM 0 H GLY A 114 -18.854 16.737 2.524 1.00 3.23 H new ATOM 0 HA2 GLY A 114 -19.304 16.269 4.822 1.00 24.44 H new ATOM 0 HA3 GLY A 114 -20.270 14.884 4.353 1.00 24.44 H new ATOM 1726 N LEU A 115 -17.132 14.862 3.429 1.00 0.31 N ATOM 1727 CA LEU A 115 -15.902 14.080 3.448 1.00 42.32 C ATOM 1728 C LEU A 115 -14.831 14.769 4.287 1.00 31.13 C ATOM 1729 O LEU A 115 -13.992 14.111 4.903 1.00 71.30 O ATOM 1730 CB LEU A 115 -15.388 13.865 2.023 1.00 53.11 C ATOM 1731 CG LEU A 115 -16.380 13.242 1.039 1.00 71.44 C ATOM 1732 CD1 LEU A 115 -16.570 14.144 -0.171 1.00 31.31 C ATOM 1733 CD2 LEU A 115 -15.908 11.861 0.608 1.00 22.21 C ATOM 0 H LEU A 115 -17.127 15.639 2.768 1.00 0.31 H new ATOM 0 HA LEU A 115 -16.124 13.112 3.898 1.00 42.32 H new ATOM 0 HB2 LEU A 115 -15.067 14.828 1.625 1.00 53.11 H new ATOM 0 HB3 LEU A 115 -14.504 13.229 2.069 1.00 53.11 H new ATOM 0 HG LEU A 115 -17.341 13.135 1.541 1.00 71.44 H new ATOM 0 HD11 LEU A 115 -17.279 13.684 -0.860 1.00 31.31 H new ATOM 0 HD12 LEU A 115 -16.954 15.111 0.153 1.00 31.31 H new ATOM 0 HD13 LEU A 115 -15.613 14.284 -0.675 1.00 31.31 H new ATOM 0 HD21 LEU A 115 -16.626 11.433 -0.092 1.00 22.21 H new ATOM 0 HD22 LEU A 115 -14.935 11.944 0.124 1.00 22.21 H new ATOM 0 HD23 LEU A 115 -15.825 11.216 1.482 1.00 22.21 H new