USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 680 hydrogens (1 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 33 LYS NZ :NH3+ -122:sc= 0.854 (180deg=-1.67!) USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0.975 USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 36 THR OG1 : rot -165:sc= 0.281 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.0712 (180deg=-0.339) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 15 SER OG : rot 42:sc= 0.0334 USER MOD Single : A 17 THR OG1 : rot 54:sc= 0.00536 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 51:sc= 0.945 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= -0.25 (180deg=-1.07) USER MOD Single : A 30 GLN : amide:sc= -0.78 X(o=-0.78,f=-0.58) USER MOD Single : A 43 GLN : amide:sc= -9.56! C(o=-9.6!,f=-8.4!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc=-0.00464 (180deg=-0.119) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.98 X(o=-3,f=-3.3) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -138:sc= 0.288 (180deg=-0.00813) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0309 X(o=-0.031,f=-0.023) USER MOD Single : A 70 THR OG1 : rot 111:sc= -1.92! USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.026) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -146:sc= -2.71 (180deg=-10.5!) USER MOD Single : A 75 MET CE :methyl -107:sc= -0.0539 (180deg=-0.442) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.030 -0.612 -0.329 1.00 54.45 N ATOM 2 CA MET A 1 3.437 -0.364 -1.708 1.00 2.34 C ATOM 3 C MET A 1 4.170 0.969 -1.826 1.00 71.14 C ATOM 4 O MET A 1 4.224 1.745 -0.873 1.00 41.10 O ATOM 5 CB MET A 1 2.218 -0.373 -2.632 1.00 42.00 C ATOM 6 CG MET A 1 1.377 -1.634 -2.516 1.00 64.15 C ATOM 7 SD MET A 1 0.908 -2.306 -4.123 1.00 5.23 S ATOM 8 CE MET A 1 0.005 -3.771 -3.626 1.00 42.34 C ATOM 0 H1 MET A 1 3.269 -1.590 -0.067 1.00 54.45 H new ATOM 0 H2 MET A 1 3.527 0.047 0.304 1.00 54.45 H new ATOM 0 H3 MET A 1 2.004 -0.470 -0.239 1.00 54.45 H new ATOM 0 HA MET A 1 4.117 -1.161 -2.009 1.00 2.34 H new ATOM 0 HB2 MET A 1 1.594 0.492 -2.406 1.00 42.00 H new ATOM 0 HB3 MET A 1 2.553 -0.263 -3.663 1.00 42.00 H new ATOM 0 HG2 MET A 1 1.934 -2.388 -1.960 1.00 64.15 H new ATOM 0 HG3 MET A 1 0.477 -1.414 -1.942 1.00 64.15 H new ATOM 0 HE1 MET A 1 -0.351 -4.297 -4.512 1.00 42.34 H new ATOM 0 HE2 MET A 1 0.662 -4.427 -3.054 1.00 42.34 H new ATOM 0 HE3 MET A 1 -0.846 -3.482 -3.009 1.00 42.34 H new ATOM 18 N ALA A 2 4.732 1.227 -3.002 1.00 64.05 N ATOM 19 CA ALA A 2 5.460 2.466 -3.246 1.00 2.24 C ATOM 20 C ALA A 2 4.537 3.545 -3.802 1.00 10.03 C ATOM 21 O ALA A 2 3.543 3.245 -4.465 1.00 23.12 O ATOM 22 CB ALA A 2 6.620 2.219 -4.199 1.00 21.22 C ATOM 0 H ALA A 2 4.697 0.594 -3.801 1.00 64.05 H new ATOM 0 HA ALA A 2 5.856 2.818 -2.294 1.00 2.24 H new ATOM 0 HB1 ALA A 2 7.154 3.153 -4.372 1.00 21.22 H new ATOM 0 HB2 ALA A 2 7.300 1.487 -3.763 1.00 21.22 H new ATOM 0 HB3 ALA A 2 6.238 1.839 -5.146 1.00 21.22 H new ATOM 28 N LEU A 3 4.870 4.801 -3.527 1.00 43.33 N ATOM 29 CA LEU A 3 4.070 5.926 -4.000 1.00 22.11 C ATOM 30 C LEU A 3 4.833 6.737 -5.042 1.00 3.31 C ATOM 31 O LEU A 3 5.805 7.429 -4.736 1.00 55.52 O ATOM 32 CB LEU A 3 3.674 6.824 -2.827 1.00 5.41 C ATOM 33 CG LEU A 3 2.242 6.668 -2.315 1.00 22.11 C ATOM 34 CD1 LEU A 3 2.064 7.401 -0.995 1.00 1.43 C ATOM 35 CD2 LEU A 3 1.248 7.177 -3.348 1.00 72.33 C ATOM 0 H LEU A 3 5.688 5.066 -2.979 1.00 43.33 H new ATOM 0 HA LEU A 3 3.168 5.529 -4.466 1.00 22.11 H new ATOM 0 HB2 LEU A 3 4.357 6.630 -2.000 1.00 5.41 H new ATOM 0 HB3 LEU A 3 3.821 7.862 -3.125 1.00 5.41 H new ATOM 0 HG LEU A 3 2.050 5.608 -2.147 1.00 22.11 H new ATOM 0 HD11 LEU A 3 1.039 7.279 -0.646 1.00 1.43 H new ATOM 0 HD12 LEU A 3 2.751 6.990 -0.255 1.00 1.43 H new ATOM 0 HD13 LEU A 3 2.275 8.461 -1.136 1.00 1.43 H new ATOM 0 HD21 LEU A 3 0.234 7.058 -2.967 1.00 72.33 H new ATOM 0 HD22 LEU A 3 1.439 8.231 -3.548 1.00 72.33 H new ATOM 0 HD23 LEU A 3 1.358 6.607 -4.270 1.00 72.33 H new ATOM 47 N PRO A 4 4.384 6.653 -6.303 1.00 0.31 N ATOM 48 CA PRO A 4 5.008 7.375 -7.415 1.00 44.45 C ATOM 49 C PRO A 4 4.780 8.881 -7.330 1.00 60.35 C ATOM 50 O PRO A 4 3.824 9.338 -6.704 1.00 54.22 O ATOM 51 CB PRO A 4 4.311 6.798 -8.649 1.00 72.54 C ATOM 52 CG PRO A 4 2.993 6.316 -8.149 1.00 21.44 C ATOM 53 CD PRO A 4 3.232 5.847 -6.740 1.00 15.53 C ATOM 0 HA PRO A 4 6.091 7.252 -7.424 1.00 44.45 H new ATOM 0 HB2 PRO A 4 4.188 7.554 -9.424 1.00 72.54 H new ATOM 0 HB3 PRO A 4 4.890 5.985 -9.087 1.00 72.54 H new ATOM 0 HG2 PRO A 4 2.250 7.114 -8.174 1.00 21.44 H new ATOM 0 HG3 PRO A 4 2.612 5.506 -8.771 1.00 21.44 H new ATOM 0 HD2 PRO A 4 2.361 6.015 -6.107 1.00 15.53 H new ATOM 0 HD3 PRO A 4 3.451 4.780 -6.703 1.00 15.53 H new ATOM 61 N ILE A 5 5.663 9.645 -7.964 1.00 40.01 N ATOM 62 CA ILE A 5 5.556 11.099 -7.961 1.00 32.32 C ATOM 63 C ILE A 5 6.146 11.696 -9.233 1.00 44.43 C ATOM 64 O ILE A 5 7.208 11.276 -9.694 1.00 3.04 O ATOM 65 CB ILE A 5 6.267 11.713 -6.741 1.00 31.15 C ATOM 66 CG1 ILE A 5 5.726 11.102 -5.446 1.00 72.44 C ATOM 67 CG2 ILE A 5 6.094 13.224 -6.732 1.00 14.32 C ATOM 68 CD1 ILE A 5 6.300 11.729 -4.196 1.00 23.24 C ATOM 0 H ILE A 5 6.460 9.282 -8.486 1.00 40.01 H new ATOM 0 HA ILE A 5 4.494 11.337 -7.910 1.00 32.32 H new ATOM 0 HB ILE A 5 7.332 11.489 -6.809 1.00 31.15 H new ATOM 0 HG12 ILE A 5 4.641 11.207 -5.430 1.00 72.44 H new ATOM 0 HG13 ILE A 5 5.943 10.034 -5.439 1.00 72.44 H new ATOM 0 HG21 ILE A 5 6.602 13.643 -5.864 1.00 14.32 H new ATOM 0 HG22 ILE A 5 6.523 13.645 -7.642 1.00 14.32 H new ATOM 0 HG23 ILE A 5 5.033 13.468 -6.684 1.00 14.32 H new ATOM 0 HD11 ILE A 5 5.872 11.247 -3.317 1.00 23.24 H new ATOM 0 HD12 ILE A 5 7.382 11.601 -4.189 1.00 23.24 H new ATOM 0 HD13 ILE A 5 6.060 12.792 -4.179 1.00 23.24 H new ATOM 80 N ILE A 6 5.452 12.680 -9.796 1.00 23.12 N ATOM 81 CA ILE A 6 5.910 13.338 -11.014 1.00 32.45 C ATOM 82 C ILE A 6 6.685 14.611 -10.693 1.00 22.24 C ATOM 83 O ILE A 6 6.322 15.360 -9.786 1.00 22.24 O ATOM 84 CB ILE A 6 4.731 13.688 -11.941 1.00 21.20 C ATOM 85 CG1 ILE A 6 4.233 12.435 -12.664 1.00 63.23 C ATOM 86 CG2 ILE A 6 5.145 14.755 -12.943 1.00 13.41 C ATOM 87 CD1 ILE A 6 2.726 12.320 -12.705 1.00 34.51 C ATOM 0 H ILE A 6 4.571 13.039 -9.428 1.00 23.12 H new ATOM 0 HA ILE A 6 6.568 12.635 -11.525 1.00 32.45 H new ATOM 0 HB ILE A 6 3.916 14.083 -11.335 1.00 21.20 H new ATOM 0 HG12 ILE A 6 4.617 12.437 -13.684 1.00 63.23 H new ATOM 0 HG13 ILE A 6 4.643 11.554 -12.171 1.00 63.23 H new ATOM 0 HG21 ILE A 6 4.302 14.992 -13.591 1.00 13.41 H new ATOM 0 HG22 ILE A 6 5.457 15.653 -12.410 1.00 13.41 H new ATOM 0 HG23 ILE A 6 5.974 14.385 -13.547 1.00 13.41 H new ATOM 0 HD11 ILE A 6 2.445 11.408 -13.232 1.00 34.51 H new ATOM 0 HD12 ILE A 6 2.336 12.286 -11.688 1.00 34.51 H new ATOM 0 HD13 ILE A 6 2.309 13.183 -13.224 1.00 34.51 H new ATOM 99 N VAL A 7 7.755 14.851 -11.444 1.00 51.03 N ATOM 100 CA VAL A 7 8.581 16.035 -11.242 1.00 51.44 C ATOM 101 C VAL A 7 8.756 16.811 -12.543 1.00 44.20 C ATOM 102 O VAL A 7 9.227 16.269 -13.544 1.00 15.53 O ATOM 103 CB VAL A 7 9.969 15.664 -10.688 1.00 31.13 C ATOM 104 CG1 VAL A 7 10.688 14.718 -11.638 1.00 2.53 C ATOM 105 CG2 VAL A 7 10.796 16.916 -10.441 1.00 2.41 C ATOM 0 H VAL A 7 8.070 14.241 -12.198 1.00 51.03 H new ATOM 0 HA VAL A 7 8.064 16.661 -10.515 1.00 51.44 H new ATOM 0 HB VAL A 7 9.836 15.151 -9.735 1.00 31.13 H new ATOM 0 HG11 VAL A 7 11.667 14.467 -11.230 1.00 2.53 H new ATOM 0 HG12 VAL A 7 10.101 13.808 -11.758 1.00 2.53 H new ATOM 0 HG13 VAL A 7 10.812 15.201 -12.607 1.00 2.53 H new ATOM 0 HG21 VAL A 7 11.774 16.635 -10.050 1.00 2.41 H new ATOM 0 HG22 VAL A 7 10.922 17.459 -11.378 1.00 2.41 H new ATOM 0 HG23 VAL A 7 10.285 17.553 -9.719 1.00 2.41 H new ATOM 115 N LYS A 8 8.376 18.084 -12.522 1.00 51.12 N ATOM 116 CA LYS A 8 8.492 18.937 -13.699 1.00 3.32 C ATOM 117 C LYS A 8 9.604 19.966 -13.517 1.00 70.23 C ATOM 118 O LYS A 8 9.569 20.774 -12.589 1.00 70.22 O ATOM 119 CB LYS A 8 7.165 19.648 -13.972 1.00 11.21 C ATOM 120 CG LYS A 8 6.751 20.608 -12.870 1.00 32.12 C ATOM 121 CD LYS A 8 5.239 20.680 -12.732 1.00 23.22 C ATOM 122 CE LYS A 8 4.619 21.530 -13.830 1.00 21.11 C ATOM 123 NZ LYS A 8 4.191 22.863 -13.324 1.00 14.31 N ATOM 0 H LYS A 8 7.985 18.548 -11.702 1.00 51.12 H new ATOM 0 HA LYS A 8 8.741 18.305 -14.552 1.00 3.32 H new ATOM 0 HB2 LYS A 8 7.243 20.197 -14.910 1.00 11.21 H new ATOM 0 HB3 LYS A 8 6.383 18.901 -14.104 1.00 11.21 H new ATOM 0 HG2 LYS A 8 7.189 20.288 -11.924 1.00 32.12 H new ATOM 0 HG3 LYS A 8 7.145 21.601 -13.084 1.00 32.12 H new ATOM 0 HD2 LYS A 8 4.821 19.674 -12.769 1.00 23.22 H new ATOM 0 HD3 LYS A 8 4.981 21.097 -11.758 1.00 23.22 H new ATOM 0 HE2 LYS A 8 5.339 21.662 -14.637 1.00 21.11 H new ATOM 0 HE3 LYS A 8 3.760 21.008 -14.252 1.00 21.11 H new ATOM 0 HZ1 LYS A 8 3.774 23.412 -14.102 1.00 14.31 H new ATOM 0 HZ2 LYS A 8 3.485 22.738 -12.571 1.00 14.31 H new ATOM 0 HZ3 LYS A 8 5.015 23.371 -12.945 1.00 14.31 H new ATOM 137 N TRP A 9 10.587 19.931 -14.409 1.00 63.41 N ATOM 138 CA TRP A 9 11.709 20.861 -14.347 1.00 54.43 C ATOM 139 C TRP A 9 11.848 21.633 -15.655 1.00 2.01 C ATOM 140 O TRP A 9 12.310 21.093 -16.659 1.00 24.00 O ATOM 141 CB TRP A 9 13.006 20.110 -14.043 1.00 74.13 C ATOM 142 CG TRP A 9 14.236 20.853 -14.468 1.00 61.32 C ATOM 143 CD1 TRP A 9 15.166 20.444 -15.381 1.00 21.21 C ATOM 144 CD2 TRP A 9 14.671 22.132 -13.995 1.00 53.44 C ATOM 145 NE1 TRP A 9 16.153 21.392 -15.504 1.00 13.21 N ATOM 146 CE2 TRP A 9 15.872 22.438 -14.665 1.00 55.13 C ATOM 147 CE3 TRP A 9 14.161 23.050 -13.073 1.00 44.52 C ATOM 148 CZ2 TRP A 9 16.569 23.622 -14.440 1.00 32.04 C ATOM 149 CZ3 TRP A 9 14.855 24.225 -12.850 1.00 72.21 C ATOM 150 CH2 TRP A 9 16.047 24.503 -13.531 1.00 64.33 C ATOM 0 H TRP A 9 10.630 19.269 -15.184 1.00 63.41 H new ATOM 0 HA TRP A 9 11.515 21.573 -13.545 1.00 54.43 H new ATOM 0 HB2 TRP A 9 13.061 19.913 -12.972 1.00 74.13 H new ATOM 0 HB3 TRP A 9 12.983 19.142 -14.544 1.00 74.13 H new ATOM 0 HD1 TRP A 9 15.131 19.512 -15.926 1.00 21.21 H new ATOM 0 HE1 TRP A 9 16.963 21.327 -16.120 1.00 13.21 H new ATOM 0 HE3 TRP A 9 13.242 22.845 -12.544 1.00 44.52 H new ATOM 0 HZ2 TRP A 9 17.489 23.838 -14.964 1.00 32.04 H new ATOM 0 HZ3 TRP A 9 14.471 24.941 -12.138 1.00 72.21 H new ATOM 0 HH2 TRP A 9 16.565 25.430 -13.335 1.00 64.33 H new ATOM 161 N GLY A 10 11.445 22.900 -15.636 1.00 5.14 N ATOM 162 CA GLY A 10 11.534 23.725 -16.826 1.00 64.02 C ATOM 163 C GLY A 10 10.241 23.744 -17.616 1.00 70.03 C ATOM 164 O GLY A 10 9.445 24.674 -17.495 1.00 32.10 O ATOM 0 H GLY A 10 11.058 23.370 -14.817 1.00 5.14 H new ATOM 0 HA2 GLY A 10 11.796 24.743 -16.539 1.00 64.02 H new ATOM 0 HA3 GLY A 10 12.339 23.355 -17.461 1.00 64.02 H new ATOM 168 N GLY A 11 10.031 22.714 -18.430 1.00 62.25 N ATOM 169 CA GLY A 11 8.825 22.636 -19.233 1.00 53.42 C ATOM 170 C GLY A 11 8.452 21.209 -19.583 1.00 51.54 C ATOM 171 O GLY A 11 7.708 20.972 -20.535 1.00 23.13 O ATOM 0 H GLY A 11 10.675 21.932 -18.548 1.00 62.25 H new ATOM 0 HA2 GLY A 11 8.001 23.101 -18.692 1.00 53.42 H new ATOM 0 HA3 GLY A 11 8.966 23.207 -20.151 1.00 53.42 H new ATOM 175 N GLN A 12 8.971 20.258 -18.814 1.00 12.11 N ATOM 176 CA GLN A 12 8.689 18.847 -19.050 1.00 44.03 C ATOM 177 C GLN A 12 8.226 18.162 -17.769 1.00 2.23 C ATOM 178 O GLN A 12 8.212 18.771 -16.699 1.00 51.15 O ATOM 179 CB GLN A 12 9.931 18.142 -19.599 1.00 4.52 C ATOM 180 CG GLN A 12 10.056 18.219 -21.112 1.00 0.21 C ATOM 181 CD GLN A 12 9.409 17.040 -21.811 1.00 61.03 C ATOM 182 OE1 GLN A 12 8.251 16.711 -21.555 1.00 74.31 O ATOM 183 NE2 GLN A 12 10.156 16.397 -22.701 1.00 30.51 N ATOM 0 H GLN A 12 9.589 20.438 -18.023 1.00 12.11 H new ATOM 0 HA GLN A 12 7.887 18.781 -19.785 1.00 44.03 H new ATOM 0 HB2 GLN A 12 10.819 18.584 -19.147 1.00 4.52 H new ATOM 0 HB3 GLN A 12 9.907 17.095 -19.298 1.00 4.52 H new ATOM 0 HG2 GLN A 12 9.596 19.142 -21.464 1.00 0.21 H new ATOM 0 HG3 GLN A 12 11.111 18.264 -21.384 1.00 0.21 H new ATOM 0 HE21 GLN A 12 11.112 16.704 -22.882 1.00 30.51 H new ATOM 0 HE22 GLN A 12 9.774 15.596 -23.204 1.00 30.51 H new ATOM 192 N GLU A 13 7.848 16.893 -17.885 1.00 0.10 N ATOM 193 CA GLU A 13 7.383 16.127 -16.735 1.00 21.22 C ATOM 194 C GLU A 13 8.058 14.759 -16.683 1.00 43.32 C ATOM 195 O GLU A 13 8.253 14.112 -17.712 1.00 75.51 O ATOM 196 CB GLU A 13 5.863 15.956 -16.788 1.00 65.24 C ATOM 197 CG GLU A 13 5.100 17.265 -16.682 1.00 75.11 C ATOM 198 CD GLU A 13 3.596 17.066 -16.700 1.00 44.34 C ATOM 199 OE1 GLU A 13 3.126 16.054 -16.140 1.00 55.15 O ATOM 200 OE2 GLU A 13 2.891 17.922 -17.274 1.00 42.13 O ATOM 0 H GLU A 13 7.855 16.374 -18.763 1.00 0.10 H new ATOM 0 HA GLU A 13 7.648 16.678 -15.833 1.00 21.22 H new ATOM 0 HB2 GLU A 13 5.594 15.463 -17.722 1.00 65.24 H new ATOM 0 HB3 GLU A 13 5.551 15.297 -15.978 1.00 65.24 H new ATOM 0 HG2 GLU A 13 5.385 17.774 -15.761 1.00 75.11 H new ATOM 0 HG3 GLU A 13 5.387 17.916 -17.508 1.00 75.11 H new ATOM 207 N TYR A 14 8.414 14.327 -15.479 1.00 30.04 N ATOM 208 CA TYR A 14 9.070 13.038 -15.292 1.00 42.40 C ATOM 209 C TYR A 14 8.449 12.275 -14.126 1.00 63.54 C ATOM 210 O TYR A 14 8.514 12.713 -12.978 1.00 33.51 O ATOM 211 CB TYR A 14 10.567 13.235 -15.047 1.00 42.45 C ATOM 212 CG TYR A 14 11.282 13.922 -16.189 1.00 40.31 C ATOM 213 CD1 TYR A 14 11.163 15.293 -16.384 1.00 63.05 C ATOM 214 CD2 TYR A 14 12.075 13.201 -17.073 1.00 1.11 C ATOM 215 CE1 TYR A 14 11.814 15.925 -17.427 1.00 31.14 C ATOM 216 CE2 TYR A 14 12.730 13.825 -18.117 1.00 24.23 C ATOM 217 CZ TYR A 14 12.597 15.187 -18.290 1.00 34.34 C ATOM 218 OH TYR A 14 13.247 15.812 -19.329 1.00 73.51 O ATOM 0 H TYR A 14 8.259 14.850 -14.617 1.00 30.04 H new ATOM 0 HA TYR A 14 8.931 12.453 -16.201 1.00 42.40 H new ATOM 0 HB2 TYR A 14 10.704 13.821 -14.138 1.00 42.45 H new ATOM 0 HB3 TYR A 14 11.029 12.263 -14.872 1.00 42.45 H new ATOM 0 HD1 TYR A 14 10.552 15.874 -15.709 1.00 63.05 H new ATOM 0 HD2 TYR A 14 12.181 12.134 -16.942 1.00 1.11 H new ATOM 0 HE1 TYR A 14 11.710 16.991 -17.565 1.00 31.14 H new ATOM 0 HE2 TYR A 14 13.343 13.249 -18.794 1.00 24.23 H new ATOM 0 HH TYR A 14 13.757 15.150 -19.841 1.00 73.51 H new ATOM 228 N SER A 15 7.848 11.129 -14.431 1.00 62.14 N ATOM 229 CA SER A 15 7.212 10.304 -13.411 1.00 23.01 C ATOM 230 C SER A 15 8.239 9.421 -12.708 1.00 43.41 C ATOM 231 O SER A 15 9.039 8.744 -13.354 1.00 75.33 O ATOM 232 CB SER A 15 6.119 9.435 -14.036 1.00 12.33 C ATOM 233 OG SER A 15 6.611 8.724 -15.158 1.00 45.32 O ATOM 0 H SER A 15 7.788 10.751 -15.377 1.00 62.14 H new ATOM 0 HA SER A 15 6.761 10.967 -12.672 1.00 23.01 H new ATOM 0 HB2 SER A 15 5.740 8.732 -13.294 1.00 12.33 H new ATOM 0 HB3 SER A 15 5.280 10.062 -14.338 1.00 12.33 H new ATOM 0 HG SER A 15 7.506 8.378 -14.959 1.00 45.32 H new ATOM 239 N VAL A 16 8.211 9.435 -11.379 1.00 45.12 N ATOM 240 CA VAL A 16 9.138 8.636 -10.587 1.00 25.12 C ATOM 241 C VAL A 16 8.546 7.270 -10.260 1.00 71.34 C ATOM 242 O VAL A 16 7.350 7.146 -9.995 1.00 13.11 O ATOM 243 CB VAL A 16 9.513 9.348 -9.273 1.00 54.14 C ATOM 244 CG1 VAL A 16 10.390 8.453 -8.411 1.00 74.14 C ATOM 245 CG2 VAL A 16 10.208 10.670 -9.564 1.00 30.42 C ATOM 0 H VAL A 16 7.556 9.991 -10.829 1.00 45.12 H new ATOM 0 HA VAL A 16 10.037 8.505 -11.190 1.00 25.12 H new ATOM 0 HB VAL A 16 8.598 9.559 -8.720 1.00 54.14 H new ATOM 0 HG11 VAL A 16 10.644 8.973 -7.488 1.00 74.14 H new ATOM 0 HG12 VAL A 16 9.852 7.535 -8.174 1.00 74.14 H new ATOM 0 HG13 VAL A 16 11.304 8.208 -8.953 1.00 74.14 H new ATOM 0 HG21 VAL A 16 10.466 11.160 -8.625 1.00 30.42 H new ATOM 0 HG22 VAL A 16 11.116 10.485 -10.138 1.00 30.42 H new ATOM 0 HG23 VAL A 16 9.541 11.313 -10.137 1.00 30.42 H new ATOM 255 N THR A 17 9.391 6.244 -10.281 1.00 62.33 N ATOM 256 CA THR A 17 8.952 4.885 -9.988 1.00 52.43 C ATOM 257 C THR A 17 10.086 4.056 -9.398 1.00 63.21 C ATOM 258 O THR A 17 10.867 3.444 -10.128 1.00 21.43 O ATOM 259 CB THR A 17 8.420 4.182 -11.251 1.00 41.14 C ATOM 260 OG1 THR A 17 9.220 4.539 -12.384 1.00 60.02 O ATOM 261 CG2 THR A 17 6.969 4.559 -11.510 1.00 60.50 C ATOM 0 H THR A 17 10.384 6.328 -10.498 1.00 62.33 H new ATOM 0 HA THR A 17 8.146 4.964 -9.258 1.00 52.43 H new ATOM 0 HB THR A 17 8.476 3.105 -11.091 1.00 41.14 H new ATOM 0 HG1 THR A 17 10.162 4.352 -12.191 1.00 60.02 H new ATOM 0 HG21 THR A 17 6.615 4.050 -12.407 1.00 60.50 H new ATOM 0 HG22 THR A 17 6.358 4.260 -10.658 1.00 60.50 H new ATOM 0 HG23 THR A 17 6.893 5.637 -11.650 1.00 60.50 H new ATOM 269 N THR A 18 10.173 4.038 -8.071 1.00 54.45 N ATOM 270 CA THR A 18 11.212 3.284 -7.383 1.00 63.00 C ATOM 271 C THR A 18 11.184 3.552 -5.883 1.00 33.44 C ATOM 272 O THR A 18 11.559 2.694 -5.081 1.00 55.34 O ATOM 273 CB THR A 18 12.611 3.629 -7.928 1.00 1.10 C ATOM 274 OG1 THR A 18 13.618 3.163 -7.023 1.00 1.11 O ATOM 275 CG2 THR A 18 12.758 5.130 -8.129 1.00 63.23 C ATOM 0 H THR A 18 9.535 4.538 -7.452 1.00 54.45 H new ATOM 0 HA THR A 18 11.009 2.229 -7.565 1.00 63.00 H new ATOM 0 HB THR A 18 12.733 3.135 -8.892 1.00 1.10 H new ATOM 0 HG1 THR A 18 14.504 3.385 -7.377 1.00 1.11 H new ATOM 0 HG21 THR A 18 13.754 5.350 -8.514 1.00 63.23 H new ATOM 0 HG22 THR A 18 12.009 5.477 -8.841 1.00 63.23 H new ATOM 0 HG23 THR A 18 12.617 5.640 -7.176 1.00 63.23 H new ATOM 283 N LEU A 19 10.736 4.745 -5.508 1.00 24.12 N ATOM 284 CA LEU A 19 10.658 5.125 -4.102 1.00 12.54 C ATOM 285 C LEU A 19 9.340 4.666 -3.486 1.00 1.01 C ATOM 286 O LEU A 19 8.331 4.538 -4.179 1.00 31.21 O ATOM 287 CB LEU A 19 10.802 6.641 -3.954 1.00 54.34 C ATOM 288 CG LEU A 19 12.153 7.141 -3.443 1.00 21.35 C ATOM 289 CD1 LEU A 19 12.331 6.789 -1.974 1.00 14.14 C ATOM 290 CD2 LEU A 19 13.287 6.557 -4.273 1.00 52.32 C ATOM 0 H LEU A 19 10.421 5.466 -6.158 1.00 24.12 H new ATOM 0 HA LEU A 19 11.475 4.635 -3.573 1.00 12.54 H new ATOM 0 HB2 LEU A 19 10.611 7.100 -4.924 1.00 54.34 H new ATOM 0 HB3 LEU A 19 10.026 6.995 -3.275 1.00 54.34 H new ATOM 0 HG LEU A 19 12.178 8.226 -3.542 1.00 21.35 H new ATOM 0 HD11 LEU A 19 13.298 7.153 -1.627 1.00 14.14 H new ATOM 0 HD12 LEU A 19 11.538 7.255 -1.390 1.00 14.14 H new ATOM 0 HD13 LEU A 19 12.285 5.707 -1.851 1.00 14.14 H new ATOM 0 HD21 LEU A 19 14.241 6.924 -3.895 1.00 52.32 H new ATOM 0 HD22 LEU A 19 13.264 5.469 -4.206 1.00 52.32 H new ATOM 0 HD23 LEU A 19 13.169 6.859 -5.314 1.00 52.32 H new ATOM 302 N SER A 20 9.357 4.422 -2.179 1.00 73.45 N ATOM 303 CA SER A 20 8.164 3.975 -1.470 1.00 75.01 C ATOM 304 C SER A 20 7.944 4.798 -0.205 1.00 13.43 C ATOM 305 O SER A 20 8.810 5.572 0.203 1.00 33.40 O ATOM 306 CB SER A 20 8.282 2.492 -1.113 1.00 52.02 C ATOM 307 OG SER A 20 9.614 2.034 -1.270 1.00 12.40 O ATOM 0 H SER A 20 10.183 4.526 -1.590 1.00 73.45 H new ATOM 0 HA SER A 20 7.307 4.116 -2.128 1.00 75.01 H new ATOM 0 HB2 SER A 20 7.959 2.336 -0.084 1.00 52.02 H new ATOM 0 HB3 SER A 20 7.616 1.908 -1.748 1.00 52.02 H new ATOM 0 HG SER A 20 10.224 2.632 -0.790 1.00 12.40 H new ATOM 313 N GLU A 21 6.778 4.626 0.411 1.00 24.43 N ATOM 314 CA GLU A 21 6.444 5.353 1.630 1.00 50.21 C ATOM 315 C GLU A 21 7.417 5.008 2.754 1.00 51.52 C ATOM 316 O GLU A 21 7.579 5.773 3.705 1.00 30.22 O ATOM 317 CB GLU A 21 5.012 5.034 2.064 1.00 30.03 C ATOM 318 CG GLU A 21 3.986 5.214 0.958 1.00 31.22 C ATOM 319 CD GLU A 21 2.610 4.712 1.351 1.00 22.42 C ATOM 320 OE1 GLU A 21 2.377 4.508 2.561 1.00 21.12 O ATOM 321 OE2 GLU A 21 1.767 4.522 0.450 1.00 63.12 O ATOM 0 H GLU A 21 6.050 3.990 0.086 1.00 24.43 H new ATOM 0 HA GLU A 21 6.523 6.420 1.420 1.00 50.21 H new ATOM 0 HB2 GLU A 21 4.971 4.005 2.422 1.00 30.03 H new ATOM 0 HB3 GLU A 21 4.745 5.675 2.904 1.00 30.03 H new ATOM 0 HG2 GLU A 21 3.922 6.270 0.695 1.00 31.22 H new ATOM 0 HG3 GLU A 21 4.321 4.684 0.067 1.00 31.22 H new ATOM 328 N ASP A 22 8.061 3.853 2.637 1.00 61.34 N ATOM 329 CA ASP A 22 9.019 3.406 3.642 1.00 74.34 C ATOM 330 C ASP A 22 10.268 4.280 3.629 1.00 44.45 C ATOM 331 O ASP A 22 11.097 4.211 4.537 1.00 75.52 O ATOM 332 CB ASP A 22 9.401 1.945 3.399 1.00 71.24 C ATOM 333 CG ASP A 22 9.718 1.208 4.685 1.00 63.32 C ATOM 334 OD1 ASP A 22 10.708 1.577 5.352 1.00 74.20 O ATOM 335 OD2 ASP A 22 8.977 0.262 5.025 1.00 51.33 O ATOM 0 H ASP A 22 7.938 3.208 1.856 1.00 61.34 H new ATOM 0 HA ASP A 22 8.548 3.492 4.621 1.00 74.34 H new ATOM 0 HB2 ASP A 22 8.583 1.439 2.886 1.00 71.24 H new ATOM 0 HB3 ASP A 22 10.266 1.904 2.737 1.00 71.24 H new ATOM 340 N ASP A 23 10.398 5.102 2.593 1.00 41.20 N ATOM 341 CA ASP A 23 11.547 5.991 2.461 1.00 31.22 C ATOM 342 C ASP A 23 11.194 7.406 2.909 1.00 34.30 C ATOM 343 O ASP A 23 10.337 7.600 3.772 1.00 1.23 O ATOM 344 CB ASP A 23 12.041 6.009 1.014 1.00 42.10 C ATOM 345 CG ASP A 23 12.094 4.623 0.403 1.00 71.33 C ATOM 346 OD1 ASP A 23 11.025 4.101 0.020 1.00 1.52 O ATOM 347 OD2 ASP A 23 13.204 4.059 0.306 1.00 51.32 O ATOM 0 H ASP A 23 9.722 5.171 1.832 1.00 41.20 H new ATOM 0 HA ASP A 23 12.343 5.614 3.104 1.00 31.22 H new ATOM 0 HB2 ASP A 23 11.384 6.641 0.417 1.00 42.10 H new ATOM 0 HB3 ASP A 23 13.034 6.457 0.978 1.00 42.10 H new ATOM 352 N THR A 24 11.860 8.392 2.317 1.00 10.21 N ATOM 353 CA THR A 24 11.618 9.789 2.656 1.00 25.22 C ATOM 354 C THR A 24 11.453 10.639 1.402 1.00 62.45 C ATOM 355 O THR A 24 11.684 10.170 0.287 1.00 61.51 O ATOM 356 CB THR A 24 12.765 10.367 3.507 1.00 64.14 C ATOM 357 OG1 THR A 24 13.897 9.491 3.463 1.00 21.43 O ATOM 358 CG2 THR A 24 12.324 10.563 4.949 1.00 30.52 C ATOM 0 H THR A 24 12.571 8.249 1.600 1.00 10.21 H new ATOM 0 HA THR A 24 10.695 9.818 3.235 1.00 25.22 H new ATOM 0 HB THR A 24 13.041 11.337 3.094 1.00 64.14 H new ATOM 0 HG1 THR A 24 14.622 9.866 4.005 1.00 21.43 H new ATOM 0 HG21 THR A 24 13.151 10.972 5.530 1.00 30.52 H new ATOM 0 HG22 THR A 24 11.481 11.254 4.981 1.00 30.52 H new ATOM 0 HG23 THR A 24 12.023 9.604 5.371 1.00 30.52 H new ATOM 366 N VAL A 25 11.053 11.892 1.590 1.00 55.03 N ATOM 367 CA VAL A 25 10.858 12.808 0.473 1.00 41.45 C ATOM 368 C VAL A 25 12.185 13.150 -0.195 1.00 63.05 C ATOM 369 O VAL A 25 12.276 13.220 -1.422 1.00 12.21 O ATOM 370 CB VAL A 25 10.175 14.112 0.928 1.00 72.52 C ATOM 371 CG1 VAL A 25 9.720 14.924 -0.275 1.00 14.34 C ATOM 372 CG2 VAL A 25 9.003 13.805 1.849 1.00 65.23 C ATOM 0 H VAL A 25 10.858 12.296 2.506 1.00 55.03 H new ATOM 0 HA VAL A 25 10.213 12.300 -0.244 1.00 41.45 H new ATOM 0 HB VAL A 25 10.899 14.707 1.485 1.00 72.52 H new ATOM 0 HG11 VAL A 25 9.240 15.841 0.066 1.00 14.34 H new ATOM 0 HG12 VAL A 25 10.583 15.174 -0.893 1.00 14.34 H new ATOM 0 HG13 VAL A 25 9.011 14.340 -0.861 1.00 14.34 H new ATOM 0 HG21 VAL A 25 8.532 14.737 2.161 1.00 65.23 H new ATOM 0 HG22 VAL A 25 8.275 13.190 1.319 1.00 65.23 H new ATOM 0 HG23 VAL A 25 9.361 13.268 2.727 1.00 65.23 H new ATOM 382 N LEU A 26 13.214 13.361 0.618 1.00 14.25 N ATOM 383 CA LEU A 26 14.538 13.695 0.107 1.00 43.23 C ATOM 384 C LEU A 26 15.090 12.564 -0.755 1.00 43.11 C ATOM 385 O LEU A 26 15.869 12.798 -1.680 1.00 11.04 O ATOM 386 CB LEU A 26 15.496 13.984 1.264 1.00 31.32 C ATOM 387 CG LEU A 26 16.391 12.823 1.700 1.00 33.13 C ATOM 388 CD1 LEU A 26 17.675 12.804 0.886 1.00 72.52 C ATOM 389 CD2 LEU A 26 16.701 12.918 3.187 1.00 43.41 C ATOM 0 H LEU A 26 13.156 13.307 1.635 1.00 14.25 H new ATOM 0 HA LEU A 26 14.447 14.588 -0.512 1.00 43.23 H new ATOM 0 HB2 LEU A 26 16.134 14.822 0.981 1.00 31.32 H new ATOM 0 HB3 LEU A 26 14.909 14.307 2.124 1.00 31.32 H new ATOM 0 HG LEU A 26 15.857 11.890 1.519 1.00 33.13 H new ATOM 0 HD11 LEU A 26 18.299 11.971 1.210 1.00 72.52 H new ATOM 0 HD12 LEU A 26 17.434 12.687 -0.171 1.00 72.52 H new ATOM 0 HD13 LEU A 26 18.213 13.740 1.034 1.00 72.52 H new ATOM 0 HD21 LEU A 26 17.339 12.084 3.480 1.00 43.41 H new ATOM 0 HD22 LEU A 26 17.215 13.857 3.392 1.00 43.41 H new ATOM 0 HD23 LEU A 26 15.772 12.881 3.755 1.00 43.41 H new ATOM 401 N ASP A 27 14.680 11.339 -0.447 1.00 64.30 N ATOM 402 CA ASP A 27 15.131 10.171 -1.195 1.00 40.04 C ATOM 403 C ASP A 27 14.530 10.159 -2.597 1.00 60.15 C ATOM 404 O ASP A 27 15.173 9.731 -3.557 1.00 23.33 O ATOM 405 CB ASP A 27 14.754 8.887 -0.454 1.00 42.24 C ATOM 406 CG ASP A 27 15.604 7.705 -0.876 1.00 71.41 C ATOM 407 OD1 ASP A 27 16.161 7.743 -1.993 1.00 4.43 O ATOM 408 OD2 ASP A 27 15.711 6.740 -0.090 1.00 33.10 O ATOM 0 H ASP A 27 14.036 11.129 0.316 1.00 64.30 H new ATOM 0 HA ASP A 27 16.216 10.224 -1.284 1.00 40.04 H new ATOM 0 HB2 ASP A 27 14.863 9.045 0.619 1.00 42.24 H new ATOM 0 HB3 ASP A 27 13.704 8.660 -0.638 1.00 42.24 H new ATOM 413 N LEU A 28 13.293 10.630 -2.709 1.00 41.43 N ATOM 414 CA LEU A 28 12.604 10.673 -3.994 1.00 51.24 C ATOM 415 C LEU A 28 13.042 11.887 -4.807 1.00 45.03 C ATOM 416 O LEU A 28 13.361 11.773 -5.991 1.00 5.00 O ATOM 417 CB LEU A 28 11.089 10.707 -3.782 1.00 44.22 C ATOM 418 CG LEU A 28 10.236 10.243 -4.963 1.00 33.34 C ATOM 419 CD1 LEU A 28 9.132 9.310 -4.489 1.00 15.54 C ATOM 420 CD2 LEU A 28 9.648 11.438 -5.699 1.00 32.23 C ATOM 0 H LEU A 28 12.746 10.988 -1.925 1.00 41.43 H new ATOM 0 HA LEU A 28 12.867 9.773 -4.549 1.00 51.24 H new ATOM 0 HB2 LEU A 28 10.849 10.085 -2.920 1.00 44.22 H new ATOM 0 HB3 LEU A 28 10.800 11.727 -3.530 1.00 44.22 H new ATOM 0 HG LEU A 28 10.875 9.695 -5.655 1.00 33.34 H new ATOM 0 HD11 LEU A 28 8.535 8.990 -5.343 1.00 15.54 H new ATOM 0 HD12 LEU A 28 9.574 8.438 -4.008 1.00 15.54 H new ATOM 0 HD13 LEU A 28 8.495 9.833 -3.776 1.00 15.54 H new ATOM 0 HD21 LEU A 28 9.044 11.088 -6.536 1.00 32.23 H new ATOM 0 HD22 LEU A 28 9.023 12.014 -5.017 1.00 32.23 H new ATOM 0 HD23 LEU A 28 10.455 12.069 -6.072 1.00 32.23 H new ATOM 432 N LYS A 29 13.058 13.049 -4.164 1.00 1.33 N ATOM 433 CA LYS A 29 13.461 14.285 -4.825 1.00 11.04 C ATOM 434 C LYS A 29 14.908 14.201 -5.300 1.00 53.02 C ATOM 435 O LYS A 29 15.192 14.382 -6.484 1.00 22.12 O ATOM 436 CB LYS A 29 13.293 15.473 -3.875 1.00 42.40 C ATOM 437 CG LYS A 29 11.982 16.217 -4.057 1.00 54.44 C ATOM 438 CD LYS A 29 10.895 15.663 -3.151 1.00 62.44 C ATOM 439 CE LYS A 29 10.078 14.589 -3.854 1.00 12.40 C ATOM 440 NZ LYS A 29 8.659 15.003 -4.035 1.00 34.54 N ATOM 0 H LYS A 29 12.796 13.161 -3.185 1.00 1.33 H new ATOM 0 HA LYS A 29 12.820 14.429 -5.694 1.00 11.04 H new ATOM 0 HB2 LYS A 29 13.359 15.117 -2.847 1.00 42.40 H new ATOM 0 HB3 LYS A 29 14.119 16.168 -4.026 1.00 42.40 H new ATOM 0 HG2 LYS A 29 12.131 17.275 -3.843 1.00 54.44 H new ATOM 0 HG3 LYS A 29 11.663 16.144 -5.097 1.00 54.44 H new ATOM 0 HD2 LYS A 29 11.347 15.247 -2.251 1.00 62.44 H new ATOM 0 HD3 LYS A 29 10.238 16.472 -2.833 1.00 62.44 H new ATOM 0 HE2 LYS A 29 10.521 14.374 -4.827 1.00 12.40 H new ATOM 0 HE3 LYS A 29 10.116 13.666 -3.275 1.00 12.40 H new ATOM 0 HZ1 LYS A 29 8.244 14.480 -4.832 1.00 34.54 H new ATOM 0 HZ2 LYS A 29 8.123 14.795 -3.168 1.00 34.54 H new ATOM 0 HZ3 LYS A 29 8.617 16.023 -4.231 1.00 34.54 H new ATOM 454 N GLN A 30 15.816 13.924 -4.371 1.00 4.34 N ATOM 455 CA GLN A 30 17.233 13.816 -4.697 1.00 24.34 C ATOM 456 C GLN A 30 17.468 12.743 -5.755 1.00 31.23 C ATOM 457 O GLN A 30 18.475 12.764 -6.462 1.00 64.51 O ATOM 458 CB GLN A 30 18.044 13.495 -3.440 1.00 4.22 C ATOM 459 CG GLN A 30 18.155 12.007 -3.150 1.00 63.04 C ATOM 460 CD GLN A 30 19.401 11.387 -3.751 1.00 63.24 C ATOM 461 OE1 GLN A 30 19.326 10.403 -4.488 1.00 54.01 O ATOM 462 NE2 GLN A 30 20.558 11.960 -3.440 1.00 13.33 N ATOM 0 H GLN A 30 15.596 13.770 -3.387 1.00 4.34 H new ATOM 0 HA GLN A 30 17.562 14.775 -5.098 1.00 24.34 H new ATOM 0 HB2 GLN A 30 19.046 13.911 -3.548 1.00 4.22 H new ATOM 0 HB3 GLN A 30 17.584 13.990 -2.585 1.00 4.22 H new ATOM 0 HG2 GLN A 30 18.160 11.850 -2.071 1.00 63.04 H new ATOM 0 HG3 GLN A 30 17.275 11.498 -3.542 1.00 63.04 H new ATOM 0 HE21 GLN A 30 20.575 12.774 -2.826 1.00 13.33 H new ATOM 0 HE22 GLN A 30 21.430 11.586 -3.816 1.00 13.33 H new ATOM 471 N PHE A 31 16.531 11.806 -5.858 1.00 24.43 N ATOM 472 CA PHE A 31 16.637 10.723 -6.829 1.00 33.11 C ATOM 473 C PHE A 31 16.288 11.214 -8.231 1.00 12.12 C ATOM 474 O PHE A 31 17.077 11.072 -9.165 1.00 64.25 O ATOM 475 CB PHE A 31 15.715 9.566 -6.437 1.00 54.52 C ATOM 476 CG PHE A 31 15.585 8.516 -7.503 1.00 22.34 C ATOM 477 CD1 PHE A 31 16.518 7.496 -7.606 1.00 10.34 C ATOM 478 CD2 PHE A 31 14.531 8.547 -8.401 1.00 34.03 C ATOM 479 CE1 PHE A 31 16.402 6.529 -8.586 1.00 34.34 C ATOM 480 CE2 PHE A 31 14.409 7.582 -9.383 1.00 32.24 C ATOM 481 CZ PHE A 31 15.345 6.571 -9.474 1.00 61.33 C ATOM 0 H PHE A 31 15.690 11.775 -5.281 1.00 24.43 H new ATOM 0 HA PHE A 31 17.669 10.371 -6.833 1.00 33.11 H new ATOM 0 HB2 PHE A 31 16.094 9.103 -5.526 1.00 54.52 H new ATOM 0 HB3 PHE A 31 14.726 9.962 -6.206 1.00 54.52 H new ATOM 0 HD1 PHE A 31 17.345 7.457 -6.912 1.00 10.34 H new ATOM 0 HD2 PHE A 31 13.795 9.335 -8.333 1.00 34.03 H new ATOM 0 HE1 PHE A 31 17.137 5.741 -8.658 1.00 34.34 H new ATOM 0 HE2 PHE A 31 13.583 7.619 -10.078 1.00 32.24 H new ATOM 0 HZ PHE A 31 15.251 5.814 -10.239 1.00 61.33 H new ATOM 491 N LEU A 32 15.100 11.792 -8.370 1.00 12.11 N ATOM 492 CA LEU A 32 14.644 12.305 -9.658 1.00 24.54 C ATOM 493 C LEU A 32 15.482 13.502 -10.094 1.00 41.12 C ATOM 494 O LEU A 32 15.873 13.609 -11.257 1.00 3.44 O ATOM 495 CB LEU A 32 13.169 12.701 -9.578 1.00 2.42 C ATOM 496 CG LEU A 32 12.780 13.605 -8.407 1.00 75.13 C ATOM 497 CD1 LEU A 32 12.804 15.066 -8.829 1.00 71.34 C ATOM 498 CD2 LEU A 32 11.406 13.225 -7.874 1.00 72.44 C ATOM 0 H LEU A 32 14.435 11.917 -7.607 1.00 12.11 H new ATOM 0 HA LEU A 32 14.761 11.514 -10.399 1.00 24.54 H new ATOM 0 HB2 LEU A 32 12.898 13.205 -10.506 1.00 2.42 H new ATOM 0 HB3 LEU A 32 12.571 11.791 -9.523 1.00 2.42 H new ATOM 0 HG LEU A 32 13.509 13.467 -7.609 1.00 75.13 H new ATOM 0 HD11 LEU A 32 12.525 15.694 -7.983 1.00 71.34 H new ATOM 0 HD12 LEU A 32 13.807 15.332 -9.163 1.00 71.34 H new ATOM 0 HD13 LEU A 32 12.098 15.221 -9.645 1.00 71.34 H new ATOM 0 HD21 LEU A 32 11.145 13.878 -7.041 1.00 72.44 H new ATOM 0 HD22 LEU A 32 10.665 13.334 -8.666 1.00 72.44 H new ATOM 0 HD23 LEU A 32 11.422 12.190 -7.532 1.00 72.44 H new ATOM 510 N LYS A 33 15.756 14.400 -9.154 1.00 41.20 N ATOM 511 CA LYS A 33 16.551 15.589 -9.439 1.00 54.02 C ATOM 512 C LYS A 33 17.895 15.211 -10.053 1.00 73.21 C ATOM 513 O LYS A 33 18.486 15.986 -10.806 1.00 73.31 O ATOM 514 CB LYS A 33 16.772 16.399 -8.159 1.00 61.45 C ATOM 515 CG LYS A 33 18.220 16.798 -7.936 1.00 2.43 C ATOM 516 CD LYS A 33 19.009 15.685 -7.268 1.00 64.31 C ATOM 517 CE LYS A 33 20.466 15.694 -7.706 1.00 71.32 C ATOM 518 NZ LYS A 33 21.209 14.513 -7.186 1.00 31.40 N ATOM 0 H LYS A 33 15.439 14.327 -8.187 1.00 41.20 H new ATOM 0 HA LYS A 33 16.003 16.199 -10.157 1.00 54.02 H new ATOM 0 HB2 LYS A 33 16.158 17.298 -8.197 1.00 61.45 H new ATOM 0 HB3 LYS A 33 16.429 15.815 -7.305 1.00 61.45 H new ATOM 0 HG2 LYS A 33 18.680 17.049 -8.892 1.00 2.43 H new ATOM 0 HG3 LYS A 33 18.260 17.695 -7.318 1.00 2.43 H new ATOM 0 HD2 LYS A 33 18.953 15.797 -6.185 1.00 64.31 H new ATOM 0 HD3 LYS A 33 18.560 14.722 -7.513 1.00 64.31 H new ATOM 0 HE2 LYS A 33 20.518 15.705 -8.795 1.00 71.32 H new ATOM 0 HE3 LYS A 33 20.945 16.608 -7.355 1.00 71.32 H new ATOM 0 HZ1 LYS A 33 22.017 14.835 -6.616 1.00 31.40 H new ATOM 0 HZ2 LYS A 33 20.576 13.937 -6.595 1.00 31.40 H new ATOM 0 HZ3 LYS A 33 21.554 13.941 -7.983 1.00 31.40 H new ATOM 532 N THR A 34 18.373 14.014 -9.728 1.00 71.41 N ATOM 533 CA THR A 34 19.647 13.533 -10.248 1.00 33.43 C ATOM 534 C THR A 34 19.499 13.015 -11.674 1.00 13.31 C ATOM 535 O THR A 34 20.468 12.972 -12.433 1.00 75.03 O ATOM 536 CB THR A 34 20.226 12.412 -9.365 1.00 24.54 C ATOM 537 OG1 THR A 34 21.633 12.607 -9.185 1.00 45.31 O ATOM 538 CG2 THR A 34 19.974 11.047 -9.988 1.00 25.12 C ATOM 0 H THR A 34 17.897 13.360 -9.107 1.00 71.41 H new ATOM 0 HA THR A 34 20.331 14.381 -10.242 1.00 33.43 H new ATOM 0 HB THR A 34 19.728 12.449 -8.396 1.00 24.54 H new ATOM 0 HG1 THR A 34 21.993 11.891 -8.621 1.00 45.31 H new ATOM 0 HG21 THR A 34 20.392 10.271 -9.346 1.00 25.12 H new ATOM 0 HG22 THR A 34 18.901 10.889 -10.096 1.00 25.12 H new ATOM 0 HG23 THR A 34 20.448 11.001 -10.968 1.00 25.12 H new ATOM 546 N LEU A 35 18.281 12.624 -12.033 1.00 10.22 N ATOM 547 CA LEU A 35 18.006 12.110 -13.370 1.00 34.10 C ATOM 548 C LEU A 35 17.935 13.245 -14.386 1.00 51.22 C ATOM 549 O LEU A 35 18.703 13.282 -15.348 1.00 22.40 O ATOM 550 CB LEU A 35 16.694 11.323 -13.375 1.00 52.21 C ATOM 551 CG LEU A 35 16.451 10.416 -12.169 1.00 33.34 C ATOM 552 CD1 LEU A 35 15.089 9.746 -12.270 1.00 51.31 C ATOM 553 CD2 LEU A 35 17.553 9.372 -12.055 1.00 53.44 C ATOM 0 H LEU A 35 17.469 12.653 -11.417 1.00 10.22 H new ATOM 0 HA LEU A 35 18.823 11.445 -13.652 1.00 34.10 H new ATOM 0 HB2 LEU A 35 15.869 12.032 -13.443 1.00 52.21 H new ATOM 0 HB3 LEU A 35 16.664 10.711 -14.276 1.00 52.21 H new ATOM 0 HG LEU A 35 16.465 11.030 -11.269 1.00 33.34 H new ATOM 0 HD11 LEU A 35 14.934 9.104 -11.403 1.00 51.31 H new ATOM 0 HD12 LEU A 35 14.310 10.508 -12.302 1.00 51.31 H new ATOM 0 HD13 LEU A 35 15.046 9.145 -13.178 1.00 51.31 H new ATOM 0 HD21 LEU A 35 17.363 8.735 -11.191 1.00 53.44 H new ATOM 0 HD22 LEU A 35 17.571 8.762 -12.958 1.00 53.44 H new ATOM 0 HD23 LEU A 35 18.515 9.870 -11.934 1.00 53.44 H new ATOM 565 N THR A 36 17.009 14.173 -14.166 1.00 13.23 N ATOM 566 CA THR A 36 16.838 15.311 -15.061 1.00 21.41 C ATOM 567 C THR A 36 16.682 16.609 -14.277 1.00 63.31 C ATOM 568 O THR A 36 17.025 17.685 -14.765 1.00 75.22 O ATOM 569 CB THR A 36 15.613 15.126 -15.976 1.00 13.41 C ATOM 570 OG1 THR A 36 15.358 16.334 -16.703 1.00 22.43 O ATOM 571 CG2 THR A 36 14.383 14.748 -15.164 1.00 0.50 C ATOM 0 H THR A 36 16.365 14.159 -13.375 1.00 13.23 H new ATOM 0 HA THR A 36 17.736 15.368 -15.676 1.00 21.41 H new ATOM 0 HB THR A 36 15.829 14.319 -16.676 1.00 13.41 H new ATOM 0 HG1 THR A 36 14.460 16.297 -17.093 1.00 22.43 H new ATOM 0 HG21 THR A 36 13.531 14.623 -15.832 1.00 0.50 H new ATOM 0 HG22 THR A 36 14.570 13.814 -14.635 1.00 0.50 H new ATOM 0 HG23 THR A 36 14.166 15.536 -14.443 1.00 0.50 H new ATOM 579 N GLY A 37 16.164 16.500 -13.058 1.00 33.14 N ATOM 580 CA GLY A 37 15.972 17.673 -12.225 1.00 44.34 C ATOM 581 C GLY A 37 17.282 18.337 -11.849 1.00 62.01 C ATOM 582 O GLY A 37 18.350 17.915 -12.293 1.00 4.15 O ATOM 0 H GLY A 37 15.874 15.620 -12.632 1.00 33.14 H new ATOM 0 HA2 GLY A 37 15.343 18.390 -12.752 1.00 44.34 H new ATOM 0 HA3 GLY A 37 15.439 17.388 -11.318 1.00 44.34 H new ATOM 586 N VAL A 38 17.201 19.380 -11.030 1.00 2.55 N ATOM 587 CA VAL A 38 18.389 20.105 -10.594 1.00 63.40 C ATOM 588 C VAL A 38 18.637 19.908 -9.103 1.00 21.43 C ATOM 589 O VAL A 38 17.704 19.926 -8.299 1.00 73.32 O ATOM 590 CB VAL A 38 18.267 21.612 -10.888 1.00 65.43 C ATOM 591 CG1 VAL A 38 16.871 22.110 -10.551 1.00 13.52 C ATOM 592 CG2 VAL A 38 19.322 22.391 -10.117 1.00 52.54 C ATOM 0 H VAL A 38 16.325 19.742 -10.654 1.00 2.55 H new ATOM 0 HA VAL A 38 19.230 19.700 -11.156 1.00 63.40 H new ATOM 0 HB VAL A 38 18.436 21.773 -11.953 1.00 65.43 H new ATOM 0 HG11 VAL A 38 16.804 23.177 -10.765 1.00 13.52 H new ATOM 0 HG12 VAL A 38 16.138 21.572 -11.152 1.00 13.52 H new ATOM 0 HG13 VAL A 38 16.669 21.939 -9.494 1.00 13.52 H new ATOM 0 HG21 VAL A 38 19.222 23.454 -10.336 1.00 52.54 H new ATOM 0 HG22 VAL A 38 19.187 22.226 -9.048 1.00 52.54 H new ATOM 0 HG23 VAL A 38 20.314 22.051 -10.414 1.00 52.54 H new ATOM 602 N LEU A 39 19.901 19.720 -8.739 1.00 32.25 N ATOM 603 CA LEU A 39 20.273 19.520 -7.342 1.00 71.32 C ATOM 604 C LEU A 39 19.742 20.652 -6.469 1.00 51.45 C ATOM 605 O LEU A 39 19.597 21.793 -6.910 1.00 23.10 O ATOM 606 CB LEU A 39 21.794 19.427 -7.207 1.00 72.25 C ATOM 607 CG LEU A 39 22.607 20.301 -8.163 1.00 12.33 C ATOM 608 CD1 LEU A 39 22.694 19.654 -9.536 1.00 74.10 C ATOM 609 CD2 LEU A 39 21.996 21.691 -8.264 1.00 11.31 C ATOM 0 H LEU A 39 20.685 19.702 -9.391 1.00 32.25 H new ATOM 0 HA LEU A 39 19.826 18.585 -7.003 1.00 71.32 H new ATOM 0 HB2 LEU A 39 22.065 19.692 -6.185 1.00 72.25 H new ATOM 0 HB3 LEU A 39 22.089 18.388 -7.356 1.00 72.25 H new ATOM 0 HG LEU A 39 23.617 20.397 -7.766 1.00 12.33 H new ATOM 0 HD11 LEU A 39 23.276 20.291 -10.202 1.00 74.10 H new ATOM 0 HD12 LEU A 39 23.178 18.681 -9.450 1.00 74.10 H new ATOM 0 HD13 LEU A 39 21.691 19.526 -9.942 1.00 74.10 H new ATOM 0 HD21 LEU A 39 22.587 22.299 -8.948 1.00 11.31 H new ATOM 0 HD22 LEU A 39 20.975 21.613 -8.637 1.00 11.31 H new ATOM 0 HD23 LEU A 39 21.988 22.157 -7.279 1.00 11.31 H new ATOM 621 N PRO A 40 19.446 20.333 -5.201 1.00 11.33 N ATOM 622 CA PRO A 40 18.929 21.311 -4.239 1.00 21.05 C ATOM 623 C PRO A 40 19.980 22.341 -3.838 1.00 33.14 C ATOM 624 O PRO A 40 19.647 23.434 -3.381 1.00 20.13 O ATOM 625 CB PRO A 40 18.537 20.451 -3.035 1.00 32.33 C ATOM 626 CG PRO A 40 19.399 19.240 -3.137 1.00 41.22 C ATOM 627 CD PRO A 40 19.593 18.994 -4.608 1.00 25.53 C ATOM 0 HA PRO A 40 18.104 21.892 -4.652 1.00 21.05 H new ATOM 0 HB2 PRO A 40 18.708 20.981 -2.098 1.00 32.33 H new ATOM 0 HB3 PRO A 40 17.480 20.188 -3.064 1.00 32.33 H new ATOM 0 HG2 PRO A 40 20.355 19.398 -2.638 1.00 41.22 H new ATOM 0 HG3 PRO A 40 18.927 18.383 -2.657 1.00 41.22 H new ATOM 0 HD2 PRO A 40 20.574 18.567 -4.818 1.00 25.53 H new ATOM 0 HD3 PRO A 40 18.852 18.298 -5.000 1.00 25.53 H new ATOM 635 N GLU A 41 21.248 21.984 -4.012 1.00 44.33 N ATOM 636 CA GLU A 41 22.347 22.879 -3.668 1.00 20.03 C ATOM 637 C GLU A 41 22.183 24.232 -4.355 1.00 22.50 C ATOM 638 O GLU A 41 22.477 25.275 -3.772 1.00 43.43 O ATOM 639 CB GLU A 41 23.687 22.253 -4.062 1.00 15.22 C ATOM 640 CG GLU A 41 24.882 23.149 -3.783 1.00 61.35 C ATOM 641 CD GLU A 41 25.882 22.510 -2.838 1.00 54.45 C ATOM 642 OE1 GLU A 41 26.492 21.490 -3.222 1.00 11.40 O ATOM 643 OE2 GLU A 41 26.053 23.030 -1.716 1.00 44.12 O ATOM 0 H GLU A 41 21.540 21.082 -4.389 1.00 44.33 H new ATOM 0 HA GLU A 41 22.330 23.035 -2.589 1.00 20.03 H new ATOM 0 HB2 GLU A 41 23.813 21.315 -3.522 1.00 15.22 H new ATOM 0 HB3 GLU A 41 23.666 22.009 -5.124 1.00 15.22 H new ATOM 0 HG2 GLU A 41 25.378 23.390 -4.723 1.00 61.35 H new ATOM 0 HG3 GLU A 41 24.534 24.090 -3.356 1.00 61.35 H new ATOM 650 N ARG A 42 21.713 24.204 -5.598 1.00 14.15 N ATOM 651 CA ARG A 42 21.511 25.427 -6.365 1.00 63.14 C ATOM 652 C ARG A 42 20.028 25.775 -6.455 1.00 62.41 C ATOM 653 O ARG A 42 19.649 26.942 -6.369 1.00 10.14 O ATOM 654 CB ARG A 42 22.096 25.274 -7.771 1.00 1.02 C ATOM 655 CG ARG A 42 23.556 25.686 -7.871 1.00 54.22 C ATOM 656 CD ARG A 42 24.480 24.480 -7.823 1.00 32.34 C ATOM 657 NE ARG A 42 25.886 24.869 -7.760 1.00 51.45 N ATOM 658 CZ ARG A 42 26.445 25.438 -6.698 1.00 13.20 C ATOM 659 NH1 ARG A 42 25.720 25.682 -5.614 1.00 63.35 N ATOM 660 NH2 ARG A 42 27.731 25.764 -6.718 1.00 12.12 N ATOM 0 H ARG A 42 21.465 23.348 -6.095 1.00 14.15 H new ATOM 0 HA ARG A 42 22.026 26.238 -5.850 1.00 63.14 H new ATOM 0 HB2 ARG A 42 21.998 24.235 -8.085 1.00 1.02 H new ATOM 0 HB3 ARG A 42 21.509 25.874 -8.467 1.00 1.02 H new ATOM 0 HG2 ARG A 42 23.718 26.233 -8.800 1.00 54.22 H new ATOM 0 HG3 ARG A 42 23.800 26.365 -7.054 1.00 54.22 H new ATOM 0 HD2 ARG A 42 24.234 23.869 -6.954 1.00 32.34 H new ATOM 0 HD3 ARG A 42 24.314 23.861 -8.705 1.00 32.34 H new ATOM 0 HE ARG A 42 26.471 24.694 -8.577 1.00 51.45 H new ATOM 0 HH11 ARG A 42 24.731 25.433 -5.595 1.00 63.35 H new ATOM 0 HH12 ARG A 42 26.151 26.119 -4.800 1.00 63.35 H new ATOM 0 HH21 ARG A 42 28.291 25.578 -7.550 1.00 12.12 H new ATOM 0 HH22 ARG A 42 28.159 26.201 -5.902 1.00 12.12 H new ATOM 674 N GLN A 43 19.196 24.753 -6.629 1.00 53.34 N ATOM 675 CA GLN A 43 17.755 24.952 -6.732 1.00 71.20 C ATOM 676 C GLN A 43 17.077 24.725 -5.385 1.00 12.12 C ATOM 677 O GLN A 43 17.625 24.060 -4.506 1.00 32.51 O ATOM 678 CB GLN A 43 17.162 24.008 -7.780 1.00 1.11 C ATOM 679 CG GLN A 43 16.768 22.650 -7.222 1.00 13.10 C ATOM 680 CD GLN A 43 15.464 22.693 -6.449 1.00 23.10 C ATOM 681 OE1 GLN A 43 15.363 22.149 -5.349 1.00 24.20 O ATOM 682 NE2 GLN A 43 14.457 23.342 -7.021 1.00 62.05 N ATOM 0 H GLN A 43 19.494 23.780 -6.702 1.00 53.34 H new ATOM 0 HA GLN A 43 17.577 25.983 -7.039 1.00 71.20 H new ATOM 0 HB2 GLN A 43 16.284 24.477 -8.225 1.00 1.11 H new ATOM 0 HB3 GLN A 43 17.888 23.866 -8.581 1.00 1.11 H new ATOM 0 HG2 GLN A 43 16.677 21.937 -8.042 1.00 13.10 H new ATOM 0 HG3 GLN A 43 17.561 22.286 -6.569 1.00 13.10 H new ATOM 0 HE21 GLN A 43 14.585 23.778 -7.934 1.00 62.05 H new ATOM 0 HE22 GLN A 43 13.556 23.404 -6.547 1.00 62.05 H new ATOM 691 N LYS A 44 15.881 25.283 -5.229 1.00 2.24 N ATOM 692 CA LYS A 44 15.127 25.142 -3.989 1.00 55.00 C ATOM 693 C LYS A 44 13.704 24.669 -4.269 1.00 73.02 C ATOM 694 O LYS A 44 13.066 25.118 -5.222 1.00 73.15 O ATOM 695 CB LYS A 44 15.093 26.472 -3.234 1.00 5.55 C ATOM 696 CG LYS A 44 14.447 27.601 -4.017 1.00 54.25 C ATOM 697 CD LYS A 44 12.943 27.638 -3.804 1.00 13.01 C ATOM 698 CE LYS A 44 12.460 29.043 -3.479 1.00 41.41 C ATOM 699 NZ LYS A 44 11.025 29.232 -3.829 1.00 70.21 N ATOM 0 H LYS A 44 15.413 25.837 -5.946 1.00 2.24 H new ATOM 0 HA LYS A 44 15.626 24.394 -3.373 1.00 55.00 H new ATOM 0 HB2 LYS A 44 14.552 26.335 -2.298 1.00 5.55 H new ATOM 0 HB3 LYS A 44 16.112 26.758 -2.974 1.00 5.55 H new ATOM 0 HG2 LYS A 44 14.882 28.552 -3.711 1.00 54.25 H new ATOM 0 HG3 LYS A 44 14.662 27.478 -5.079 1.00 54.25 H new ATOM 0 HD2 LYS A 44 12.439 27.277 -4.700 1.00 13.01 H new ATOM 0 HD3 LYS A 44 12.673 26.962 -2.992 1.00 13.01 H new ATOM 0 HE2 LYS A 44 12.603 29.239 -2.416 1.00 41.41 H new ATOM 0 HE3 LYS A 44 13.065 29.769 -4.022 1.00 41.41 H new ATOM 0 HZ1 LYS A 44 10.735 30.202 -3.592 1.00 70.21 H new ATOM 0 HZ2 LYS A 44 10.892 29.070 -4.848 1.00 70.21 H new ATOM 0 HZ3 LYS A 44 10.445 28.556 -3.292 1.00 70.21 H new ATOM 713 N LEU A 45 13.211 23.762 -3.433 1.00 23.12 N ATOM 714 CA LEU A 45 11.862 23.229 -3.590 1.00 4.03 C ATOM 715 C LEU A 45 10.817 24.317 -3.362 1.00 64.41 C ATOM 716 O LEU A 45 10.915 25.098 -2.415 1.00 32.34 O ATOM 717 CB LEU A 45 11.633 22.073 -2.614 1.00 52.23 C ATOM 718 CG LEU A 45 12.298 20.745 -2.979 1.00 12.43 C ATOM 719 CD1 LEU A 45 11.932 20.337 -4.397 1.00 73.40 C ATOM 720 CD2 LEU A 45 13.808 20.845 -2.823 1.00 43.04 C ATOM 0 H LEU A 45 13.725 23.380 -2.639 1.00 23.12 H new ATOM 0 HA LEU A 45 11.759 22.861 -4.611 1.00 4.03 H new ATOM 0 HB2 LEU A 45 11.991 22.378 -1.631 1.00 52.23 H new ATOM 0 HB3 LEU A 45 10.560 21.906 -2.525 1.00 52.23 H new ATOM 0 HG LEU A 45 11.932 19.977 -2.297 1.00 12.43 H new ATOM 0 HD11 LEU A 45 12.414 19.390 -4.639 1.00 73.40 H new ATOM 0 HD12 LEU A 45 10.851 20.224 -4.476 1.00 73.40 H new ATOM 0 HD13 LEU A 45 12.268 21.104 -5.095 1.00 73.40 H new ATOM 0 HD21 LEU A 45 14.265 19.891 -3.087 1.00 43.04 H new ATOM 0 HD22 LEU A 45 14.191 21.625 -3.481 1.00 43.04 H new ATOM 0 HD23 LEU A 45 14.052 21.090 -1.789 1.00 43.04 H new ATOM 732 N LEU A 46 9.817 24.361 -4.235 1.00 62.42 N ATOM 733 CA LEU A 46 8.752 25.351 -4.129 1.00 14.23 C ATOM 734 C LEU A 46 7.755 24.964 -3.040 1.00 43.34 C ATOM 735 O LEU A 46 7.757 25.536 -1.951 1.00 64.10 O ATOM 736 CB LEU A 46 8.029 25.498 -5.469 1.00 31.21 C ATOM 737 CG LEU A 46 8.755 26.316 -6.537 1.00 65.43 C ATOM 738 CD1 LEU A 46 9.850 25.487 -7.191 1.00 24.10 C ATOM 739 CD2 LEU A 46 7.772 26.822 -7.582 1.00 73.00 C ATOM 0 H LEU A 46 9.722 23.722 -5.024 1.00 62.42 H new ATOM 0 HA LEU A 46 9.203 26.306 -3.860 1.00 14.23 H new ATOM 0 HB2 LEU A 46 7.841 24.502 -5.869 1.00 31.21 H new ATOM 0 HB3 LEU A 46 7.057 25.957 -5.286 1.00 31.21 H new ATOM 0 HG LEU A 46 9.217 27.177 -6.055 1.00 65.43 H new ATOM 0 HD11 LEU A 46 10.356 26.085 -7.949 1.00 24.10 H new ATOM 0 HD12 LEU A 46 10.570 25.174 -6.435 1.00 24.10 H new ATOM 0 HD13 LEU A 46 9.409 24.607 -7.659 1.00 24.10 H new ATOM 0 HD21 LEU A 46 8.307 27.402 -8.334 1.00 73.00 H new ATOM 0 HD22 LEU A 46 7.280 25.974 -8.060 1.00 73.00 H new ATOM 0 HD23 LEU A 46 7.023 27.453 -7.102 1.00 73.00 H new ATOM 751 N GLY A 47 6.905 23.988 -3.343 1.00 64.51 N ATOM 752 CA GLY A 47 5.917 23.539 -2.380 1.00 11.32 C ATOM 753 C GLY A 47 6.385 22.335 -1.587 1.00 13.34 C ATOM 754 O GLY A 47 5.752 21.279 -1.617 1.00 24.43 O ATOM 0 H GLY A 47 6.883 23.500 -4.238 1.00 64.51 H new ATOM 0 HA2 GLY A 47 5.686 24.354 -1.694 1.00 11.32 H new ATOM 0 HA3 GLY A 47 4.993 23.290 -2.902 1.00 11.32 H new ATOM 758 N LEU A 48 7.496 22.493 -0.876 1.00 31.41 N ATOM 759 CA LEU A 48 8.050 21.409 -0.072 1.00 33.33 C ATOM 760 C LEU A 48 7.016 20.883 0.920 1.00 43.44 C ATOM 761 O LEU A 48 7.090 19.736 1.361 1.00 3.42 O ATOM 762 CB LEU A 48 9.294 21.888 0.677 1.00 24.44 C ATOM 763 CG LEU A 48 9.119 23.137 1.542 1.00 74.25 C ATOM 764 CD1 LEU A 48 8.718 22.754 2.958 1.00 53.13 C ATOM 765 CD2 LEU A 48 10.397 23.962 1.552 1.00 52.43 C ATOM 0 H LEU A 48 8.031 23.361 -0.840 1.00 31.41 H new ATOM 0 HA LEU A 48 8.328 20.597 -0.744 1.00 33.33 H new ATOM 0 HB2 LEU A 48 9.645 21.076 1.314 1.00 24.44 H new ATOM 0 HB3 LEU A 48 10.080 22.083 -0.053 1.00 24.44 H new ATOM 0 HG LEU A 48 8.322 23.744 1.113 1.00 74.25 H new ATOM 0 HD11 LEU A 48 8.598 23.656 3.559 1.00 53.13 H new ATOM 0 HD12 LEU A 48 7.776 22.206 2.934 1.00 53.13 H new ATOM 0 HD13 LEU A 48 9.492 22.125 3.398 1.00 53.13 H new ATOM 0 HD21 LEU A 48 10.254 24.847 2.172 1.00 52.43 H new ATOM 0 HD22 LEU A 48 11.213 23.363 1.956 1.00 52.43 H new ATOM 0 HD23 LEU A 48 10.641 24.268 0.535 1.00 52.43 H new ATOM 777 N LYS A 49 6.051 21.729 1.264 1.00 3.23 N ATOM 778 CA LYS A 49 5.000 21.351 2.201 1.00 73.44 C ATOM 779 C LYS A 49 3.697 21.055 1.465 1.00 55.42 C ATOM 780 O LYS A 49 3.365 21.715 0.480 1.00 52.31 O ATOM 781 CB LYS A 49 4.777 22.464 3.227 1.00 23.41 C ATOM 782 CG LYS A 49 5.280 23.822 2.770 1.00 53.13 C ATOM 783 CD LYS A 49 4.930 24.912 3.770 1.00 71.55 C ATOM 784 CE LYS A 49 4.878 26.280 3.107 1.00 23.14 C ATOM 785 NZ LYS A 49 4.882 27.381 4.110 1.00 53.44 N ATOM 0 H LYS A 49 5.975 22.682 0.908 1.00 3.23 H new ATOM 0 HA LYS A 49 5.318 20.447 2.720 1.00 73.44 H new ATOM 0 HB2 LYS A 49 3.712 22.536 3.447 1.00 23.41 H new ATOM 0 HB3 LYS A 49 5.277 22.195 4.157 1.00 23.41 H new ATOM 0 HG2 LYS A 49 6.361 23.784 2.635 1.00 53.13 H new ATOM 0 HG3 LYS A 49 4.846 24.064 1.800 1.00 53.13 H new ATOM 0 HD2 LYS A 49 3.966 24.691 4.228 1.00 71.55 H new ATOM 0 HD3 LYS A 49 5.668 24.923 4.572 1.00 71.55 H new ATOM 0 HE2 LYS A 49 5.732 26.393 2.440 1.00 23.14 H new ATOM 0 HE3 LYS A 49 3.981 26.352 2.492 1.00 23.14 H new ATOM 0 HZ1 LYS A 49 4.846 28.297 3.620 1.00 53.44 H new ATOM 0 HZ2 LYS A 49 4.053 27.288 4.731 1.00 53.44 H new ATOM 0 HZ3 LYS A 49 5.750 27.328 4.681 1.00 53.44 H new ATOM 799 N VAL A 50 2.960 20.061 1.950 1.00 24.41 N ATOM 800 CA VAL A 50 1.692 19.680 1.340 1.00 20.01 C ATOM 801 C VAL A 50 0.682 19.246 2.397 1.00 43.24 C ATOM 802 O VAL A 50 1.040 18.615 3.392 1.00 51.25 O ATOM 803 CB VAL A 50 1.878 18.537 0.324 1.00 4.41 C ATOM 804 CG1 VAL A 50 2.354 17.273 1.023 1.00 3.24 C ATOM 805 CG2 VAL A 50 0.584 18.283 -0.434 1.00 22.53 C ATOM 0 H VAL A 50 3.220 19.505 2.764 1.00 24.41 H new ATOM 0 HA VAL A 50 1.314 20.560 0.820 1.00 20.01 H new ATOM 0 HB VAL A 50 2.641 18.834 -0.395 1.00 4.41 H new ATOM 0 HG11 VAL A 50 2.480 16.477 0.289 1.00 3.24 H new ATOM 0 HG12 VAL A 50 3.307 17.466 1.515 1.00 3.24 H new ATOM 0 HG13 VAL A 50 1.617 16.969 1.766 1.00 3.24 H new ATOM 0 HG21 VAL A 50 0.733 17.473 -1.147 1.00 22.53 H new ATOM 0 HG22 VAL A 50 -0.202 18.007 0.269 1.00 22.53 H new ATOM 0 HG23 VAL A 50 0.292 19.187 -0.968 1.00 22.53 H new ATOM 815 N LYS A 51 -0.582 19.588 2.174 1.00 13.22 N ATOM 816 CA LYS A 51 -1.647 19.233 3.106 1.00 45.25 C ATOM 817 C LYS A 51 -1.317 19.712 4.516 1.00 74.21 C ATOM 818 O LYS A 51 -1.668 19.062 5.500 1.00 64.20 O ATOM 819 CB LYS A 51 -1.866 17.719 3.108 1.00 72.32 C ATOM 820 CG LYS A 51 -2.101 17.136 1.725 1.00 54.11 C ATOM 821 CD LYS A 51 -3.445 16.432 1.638 1.00 62.43 C ATOM 822 CE LYS A 51 -3.742 15.972 0.218 1.00 13.45 C ATOM 823 NZ LYS A 51 -4.008 17.121 -0.692 1.00 33.43 N ATOM 0 H LYS A 51 -0.895 20.111 1.356 1.00 13.22 H new ATOM 0 HA LYS A 51 -2.563 19.726 2.779 1.00 45.25 H new ATOM 0 HB2 LYS A 51 -0.997 17.235 3.554 1.00 72.32 H new ATOM 0 HB3 LYS A 51 -2.721 17.485 3.742 1.00 72.32 H new ATOM 0 HG2 LYS A 51 -2.057 17.932 0.981 1.00 54.11 H new ATOM 0 HG3 LYS A 51 -1.304 16.432 1.486 1.00 54.11 H new ATOM 0 HD2 LYS A 51 -3.451 15.573 2.309 1.00 62.43 H new ATOM 0 HD3 LYS A 51 -4.233 17.106 1.976 1.00 62.43 H new ATOM 0 HE2 LYS A 51 -2.898 15.396 -0.161 1.00 13.45 H new ATOM 0 HE3 LYS A 51 -4.605 15.306 0.225 1.00 13.45 H new ATOM 0 HZ1 LYS A 51 -4.402 16.770 -1.588 1.00 33.43 H new ATOM 0 HZ2 LYS A 51 -4.689 17.768 -0.245 1.00 33.43 H new ATOM 0 HZ3 LYS A 51 -3.120 17.628 -0.879 1.00 33.43 H new ATOM 837 N GLY A 52 -0.643 20.854 4.606 1.00 1.22 N ATOM 838 CA GLY A 52 -0.279 21.401 5.901 1.00 74.34 C ATOM 839 C GLY A 52 1.007 20.807 6.440 1.00 33.01 C ATOM 840 O GLY A 52 1.602 21.342 7.375 1.00 3.14 O ATOM 0 H GLY A 52 -0.342 21.411 3.806 1.00 1.22 H new ATOM 0 HA2 GLY A 52 -0.169 22.482 5.817 1.00 74.34 H new ATOM 0 HA3 GLY A 52 -1.086 21.216 6.610 1.00 74.34 H new ATOM 844 N LYS A 53 1.437 19.696 5.851 1.00 15.21 N ATOM 845 CA LYS A 53 2.660 19.028 6.278 1.00 61.34 C ATOM 846 C LYS A 53 3.887 19.698 5.668 1.00 61.44 C ATOM 847 O LYS A 53 3.840 20.250 4.568 1.00 4.23 O ATOM 848 CB LYS A 53 2.623 17.550 5.882 1.00 71.14 C ATOM 849 CG LYS A 53 1.618 16.733 6.675 1.00 72.22 C ATOM 850 CD LYS A 53 1.965 16.704 8.154 1.00 44.13 C ATOM 851 CE LYS A 53 1.962 15.284 8.700 1.00 54.53 C ATOM 852 NZ LYS A 53 2.969 15.103 9.781 1.00 3.41 N ATOM 0 H LYS A 53 0.956 19.239 5.076 1.00 15.21 H new ATOM 0 HA LYS A 53 2.727 19.106 7.363 1.00 61.34 H new ATOM 0 HB2 LYS A 53 2.385 17.473 4.821 1.00 71.14 H new ATOM 0 HB3 LYS A 53 3.616 17.121 6.018 1.00 71.14 H new ATOM 0 HG2 LYS A 53 0.621 17.153 6.543 1.00 72.22 H new ATOM 0 HG3 LYS A 53 1.589 15.715 6.287 1.00 72.22 H new ATOM 0 HD2 LYS A 53 2.947 17.152 8.307 1.00 44.13 H new ATOM 0 HD3 LYS A 53 1.248 17.310 8.709 1.00 44.13 H new ATOM 0 HE2 LYS A 53 0.970 15.045 9.084 1.00 54.53 H new ATOM 0 HE3 LYS A 53 2.168 14.583 7.891 1.00 54.53 H new ATOM 0 HZ1 LYS A 53 2.935 14.123 10.126 1.00 3.41 H new ATOM 0 HZ2 LYS A 53 3.918 15.306 9.409 1.00 3.41 H new ATOM 0 HZ3 LYS A 53 2.758 15.753 10.565 1.00 3.41 H new ATOM 866 N PRO A 54 5.013 19.648 6.395 1.00 31.41 N ATOM 867 CA PRO A 54 6.274 20.243 5.944 1.00 61.01 C ATOM 868 C PRO A 54 6.884 19.487 4.768 1.00 0.22 C ATOM 869 O PRO A 54 7.472 20.088 3.870 1.00 52.34 O ATOM 870 CB PRO A 54 7.177 20.136 7.175 1.00 65.20 C ATOM 871 CG PRO A 54 6.626 18.990 7.951 1.00 62.43 C ATOM 872 CD PRO A 54 5.141 19.005 7.714 1.00 3.40 C ATOM 0 HA PRO A 54 6.138 21.263 5.586 1.00 61.01 H new ATOM 0 HB2 PRO A 54 8.214 19.959 6.891 1.00 65.20 H new ATOM 0 HB3 PRO A 54 7.159 21.055 7.760 1.00 65.20 H new ATOM 0 HG2 PRO A 54 7.064 18.048 7.621 1.00 62.43 H new ATOM 0 HG3 PRO A 54 6.853 19.092 9.012 1.00 62.43 H new ATOM 0 HD2 PRO A 54 4.724 17.998 7.712 1.00 3.40 H new ATOM 0 HD3 PRO A 54 4.616 19.566 8.487 1.00 3.40 H new ATOM 880 N ALA A 55 6.740 18.166 4.781 1.00 12.11 N ATOM 881 CA ALA A 55 7.274 17.329 3.714 1.00 25.14 C ATOM 882 C ALA A 55 8.629 17.843 3.240 1.00 42.34 C ATOM 883 O ALA A 55 8.918 17.843 2.044 1.00 43.24 O ATOM 884 CB ALA A 55 6.295 17.266 2.552 1.00 71.51 C ATOM 0 H ALA A 55 6.258 17.652 5.519 1.00 12.11 H new ATOM 0 HA ALA A 55 7.414 16.323 4.110 1.00 25.14 H new ATOM 0 HB1 ALA A 55 6.707 16.637 1.763 1.00 71.51 H new ATOM 0 HB2 ALA A 55 5.350 16.845 2.895 1.00 71.51 H new ATOM 0 HB3 ALA A 55 6.125 18.271 2.164 1.00 71.51 H new ATOM 890 N GLU A 56 9.455 18.281 4.185 1.00 42.43 N ATOM 891 CA GLU A 56 10.779 18.800 3.861 1.00 60.11 C ATOM 892 C GLU A 56 11.679 17.693 3.318 1.00 51.50 C ATOM 893 O GLU A 56 11.951 17.632 2.120 1.00 53.12 O ATOM 894 CB GLU A 56 11.420 19.433 5.098 1.00 71.50 C ATOM 895 CG GLU A 56 12.741 20.126 4.812 1.00 63.33 C ATOM 896 CD GLU A 56 12.644 21.635 4.921 1.00 41.01 C ATOM 897 OE1 GLU A 56 12.285 22.130 6.010 1.00 61.24 O ATOM 898 OE2 GLU A 56 12.928 22.321 3.917 1.00 54.34 O ATOM 0 H GLU A 56 9.231 18.287 5.180 1.00 42.43 H new ATOM 0 HA GLU A 56 10.664 19.562 3.090 1.00 60.11 H new ATOM 0 HB2 GLU A 56 10.726 20.156 5.527 1.00 71.50 H new ATOM 0 HB3 GLU A 56 11.580 18.660 5.850 1.00 71.50 H new ATOM 0 HG2 GLU A 56 13.496 19.763 5.509 1.00 63.33 H new ATOM 0 HG3 GLU A 56 13.078 19.859 3.810 1.00 63.33 H new ATOM 905 N ASN A 57 12.138 16.821 4.210 1.00 41.43 N ATOM 906 CA ASN A 57 13.008 15.718 3.821 1.00 24.51 C ATOM 907 C ASN A 57 12.928 14.579 4.834 1.00 41.14 C ATOM 908 O ASN A 57 12.967 13.405 4.467 1.00 62.51 O ATOM 909 CB ASN A 57 14.454 16.201 3.694 1.00 4.11 C ATOM 910 CG ASN A 57 14.776 17.323 4.662 1.00 11.40 C ATOM 911 OD1 ASN A 57 14.980 18.468 4.257 1.00 71.10 O ATOM 912 ND2 ASN A 57 14.822 16.999 5.949 1.00 45.40 N ATOM 0 H ASN A 57 11.922 16.857 5.206 1.00 41.43 H new ATOM 0 HA ASN A 57 12.670 15.346 2.854 1.00 24.51 H new ATOM 0 HB2 ASN A 57 15.130 15.365 3.873 1.00 4.11 H new ATOM 0 HB3 ASN A 57 14.632 16.542 2.674 1.00 4.11 H new ATOM 0 HD21 ASN A 57 15.033 17.712 6.647 1.00 45.40 H new ATOM 0 HD22 ASN A 57 14.646 16.037 6.239 1.00 45.40 H new ATOM 919 N ASP A 58 12.815 14.936 6.108 1.00 21.53 N ATOM 920 CA ASP A 58 12.727 13.944 7.174 1.00 4.45 C ATOM 921 C ASP A 58 11.349 13.291 7.197 1.00 63.33 C ATOM 922 O ASP A 58 11.093 12.386 7.991 1.00 75.31 O ATOM 923 CB ASP A 58 13.020 14.593 8.528 1.00 12.23 C ATOM 924 CG ASP A 58 14.480 14.967 8.688 1.00 64.11 C ATOM 925 OD1 ASP A 58 15.344 14.092 8.466 1.00 14.52 O ATOM 926 OD2 ASP A 58 14.760 16.134 9.035 1.00 22.55 O ATOM 0 H ASP A 58 12.782 15.904 6.428 1.00 21.53 H new ATOM 0 HA ASP A 58 13.471 13.172 6.980 1.00 4.45 H new ATOM 0 HB2 ASP A 58 12.405 15.486 8.640 1.00 12.23 H new ATOM 0 HB3 ASP A 58 12.734 13.907 9.326 1.00 12.23 H new ATOM 931 N VAL A 59 10.465 13.756 6.320 1.00 11.12 N ATOM 932 CA VAL A 59 9.113 13.217 6.239 1.00 54.10 C ATOM 933 C VAL A 59 9.037 12.072 5.235 1.00 32.14 C ATOM 934 O VAL A 59 9.744 12.067 4.228 1.00 61.43 O ATOM 935 CB VAL A 59 8.098 14.304 5.838 1.00 1.40 C ATOM 936 CG1 VAL A 59 6.728 13.999 6.425 1.00 4.50 C ATOM 937 CG2 VAL A 59 8.584 15.676 6.282 1.00 22.21 C ATOM 0 H VAL A 59 10.661 14.505 5.656 1.00 11.12 H new ATOM 0 HA VAL A 59 8.862 12.844 7.232 1.00 54.10 H new ATOM 0 HB VAL A 59 8.008 14.309 4.752 1.00 1.40 H new ATOM 0 HG11 VAL A 59 6.025 14.778 6.131 1.00 4.50 H new ATOM 0 HG12 VAL A 59 6.379 13.036 6.053 1.00 4.50 H new ATOM 0 HG13 VAL A 59 6.797 13.965 7.512 1.00 4.50 H new ATOM 0 HG21 VAL A 59 7.855 16.432 5.991 1.00 22.21 H new ATOM 0 HG22 VAL A 59 8.704 15.686 7.365 1.00 22.21 H new ATOM 0 HG23 VAL A 59 9.541 15.894 5.809 1.00 22.21 H new ATOM 947 N LYS A 60 8.174 11.102 5.517 1.00 34.12 N ATOM 948 CA LYS A 60 8.002 9.951 4.639 1.00 24.51 C ATOM 949 C LYS A 60 6.938 10.226 3.582 1.00 35.23 C ATOM 950 O LYS A 60 5.963 10.934 3.838 1.00 13.03 O ATOM 951 CB LYS A 60 7.619 8.714 5.455 1.00 70.33 C ATOM 952 CG LYS A 60 8.771 8.133 6.257 1.00 14.21 C ATOM 953 CD LYS A 60 8.695 6.617 6.324 1.00 11.14 C ATOM 954 CE LYS A 60 9.371 6.080 7.577 1.00 41.33 C ATOM 955 NZ LYS A 60 9.376 4.592 7.610 1.00 61.44 N ATOM 0 H LYS A 60 7.582 11.090 6.348 1.00 34.12 H new ATOM 0 HA LYS A 60 8.950 9.766 4.134 1.00 24.51 H new ATOM 0 HB2 LYS A 60 6.809 8.975 6.136 1.00 70.33 H new ATOM 0 HB3 LYS A 60 7.235 7.949 4.780 1.00 70.33 H new ATOM 0 HG2 LYS A 60 9.717 8.431 5.805 1.00 14.21 H new ATOM 0 HG3 LYS A 60 8.756 8.544 7.266 1.00 14.21 H new ATOM 0 HD2 LYS A 60 7.651 6.303 6.309 1.00 11.14 H new ATOM 0 HD3 LYS A 60 9.169 6.188 5.441 1.00 11.14 H new ATOM 0 HE2 LYS A 60 10.396 6.448 7.622 1.00 41.33 H new ATOM 0 HE3 LYS A 60 8.856 6.461 8.459 1.00 41.33 H new ATOM 0 HZ1 LYS A 60 9.845 4.266 8.479 1.00 61.44 H new ATOM 0 HZ2 LYS A 60 8.397 4.241 7.592 1.00 61.44 H new ATOM 0 HZ3 LYS A 60 9.889 4.228 6.782 1.00 61.44 H new ATOM 969 N LEU A 61 7.129 9.661 2.395 1.00 12.12 N ATOM 970 CA LEU A 61 6.183 9.844 1.299 1.00 4.44 C ATOM 971 C LEU A 61 4.763 9.509 1.744 1.00 42.52 C ATOM 972 O LEU A 61 3.805 10.167 1.341 1.00 15.25 O ATOM 973 CB LEU A 61 6.577 8.969 0.108 1.00 0.23 C ATOM 974 CG LEU A 61 8.063 8.954 -0.252 1.00 1.43 C ATOM 975 CD1 LEU A 61 8.319 8.019 -1.423 1.00 23.31 C ATOM 976 CD2 LEU A 61 8.548 10.360 -0.574 1.00 52.40 C ATOM 0 H LEU A 61 7.930 9.072 2.167 1.00 12.12 H new ATOM 0 HA LEU A 61 6.212 10.891 0.997 1.00 4.44 H new ATOM 0 HB2 LEU A 61 6.264 7.946 0.315 1.00 0.23 H new ATOM 0 HB3 LEU A 61 6.016 9.304 -0.764 1.00 0.23 H new ATOM 0 HG LEU A 61 8.622 8.587 0.609 1.00 1.43 H new ATOM 0 HD11 LEU A 61 9.382 8.021 -1.665 1.00 23.31 H new ATOM 0 HD12 LEU A 61 8.010 7.008 -1.156 1.00 23.31 H new ATOM 0 HD13 LEU A 61 7.749 8.356 -2.289 1.00 23.31 H new ATOM 0 HD21 LEU A 61 9.608 10.330 -0.828 1.00 52.40 H new ATOM 0 HD22 LEU A 61 7.983 10.755 -1.419 1.00 52.40 H new ATOM 0 HD23 LEU A 61 8.401 11.003 0.294 1.00 52.40 H new ATOM 988 N GLY A 62 4.636 8.482 2.579 1.00 43.34 N ATOM 989 CA GLY A 62 3.330 8.079 3.066 1.00 40.33 C ATOM 990 C GLY A 62 2.798 9.011 4.137 1.00 71.33 C ATOM 991 O GLY A 62 1.600 9.022 4.419 1.00 3.53 O ATOM 0 H GLY A 62 5.414 7.922 2.927 1.00 43.34 H new ATOM 0 HA2 GLY A 62 2.628 8.050 2.233 1.00 40.33 H new ATOM 0 HA3 GLY A 62 3.391 7.067 3.467 1.00 40.33 H new ATOM 995 N ALA A 63 3.690 9.792 4.736 1.00 44.44 N ATOM 996 CA ALA A 63 3.304 10.731 5.781 1.00 11.33 C ATOM 997 C ALA A 63 2.816 12.047 5.185 1.00 53.03 C ATOM 998 O ALA A 63 2.185 12.855 5.868 1.00 22.34 O ATOM 999 CB ALA A 63 4.471 10.979 6.726 1.00 34.31 C ATOM 0 H ALA A 63 4.686 9.793 4.515 1.00 44.44 H new ATOM 0 HA ALA A 63 2.481 10.290 6.344 1.00 11.33 H new ATOM 0 HB1 ALA A 63 4.168 11.682 7.502 1.00 34.31 H new ATOM 0 HB2 ALA A 63 4.772 10.038 7.187 1.00 34.31 H new ATOM 0 HB3 ALA A 63 5.310 11.394 6.167 1.00 34.31 H new ATOM 1005 N LEU A 64 3.111 12.257 3.907 1.00 42.33 N ATOM 1006 CA LEU A 64 2.703 13.476 3.218 1.00 54.45 C ATOM 1007 C LEU A 64 1.299 13.330 2.638 1.00 1.34 C ATOM 1008 O LEU A 64 0.640 14.321 2.322 1.00 71.22 O ATOM 1009 CB LEU A 64 3.694 13.812 2.102 1.00 4.13 C ATOM 1010 CG LEU A 64 5.108 13.253 2.270 1.00 13.34 C ATOM 1011 CD1 LEU A 64 5.931 13.496 1.015 1.00 55.13 C ATOM 1012 CD2 LEU A 64 5.786 13.874 3.483 1.00 40.11 C ATOM 0 H LEU A 64 3.631 11.599 3.327 1.00 42.33 H new ATOM 0 HA LEU A 64 2.694 14.288 3.945 1.00 54.45 H new ATOM 0 HB2 LEU A 64 3.288 13.443 1.160 1.00 4.13 H new ATOM 0 HB3 LEU A 64 3.761 14.897 2.017 1.00 4.13 H new ATOM 0 HG LEU A 64 5.036 12.177 2.430 1.00 13.34 H new ATOM 0 HD11 LEU A 64 6.934 13.092 1.153 1.00 55.13 H new ATOM 0 HD12 LEU A 64 5.455 13.004 0.167 1.00 55.13 H new ATOM 0 HD13 LEU A 64 5.995 14.567 0.824 1.00 55.13 H new ATOM 0 HD21 LEU A 64 6.791 13.465 3.587 1.00 40.11 H new ATOM 0 HD22 LEU A 64 5.846 14.955 3.353 1.00 40.11 H new ATOM 0 HD23 LEU A 64 5.207 13.648 4.379 1.00 40.11 H new ATOM 1024 N LYS A 65 0.846 12.088 2.504 1.00 4.33 N ATOM 1025 CA LYS A 65 -0.480 11.811 1.967 1.00 73.11 C ATOM 1026 C LYS A 65 -0.709 12.569 0.663 1.00 2.13 C ATOM 1027 O LYS A 65 -1.766 13.168 0.458 1.00 23.43 O ATOM 1028 CB LYS A 65 -1.556 12.192 2.986 1.00 11.44 C ATOM 1029 CG LYS A 65 -1.429 11.457 4.309 1.00 23.21 C ATOM 1030 CD LYS A 65 -0.513 12.194 5.271 1.00 3.24 C ATOM 1031 CE LYS A 65 -1.222 12.521 6.576 1.00 12.14 C ATOM 1032 NZ LYS A 65 -0.390 13.385 7.459 1.00 51.32 N ATOM 0 H LYS A 65 1.379 11.257 2.760 1.00 4.33 H new ATOM 0 HA LYS A 65 -0.545 10.742 1.762 1.00 73.11 H new ATOM 0 HB2 LYS A 65 -1.506 13.265 3.170 1.00 11.44 H new ATOM 0 HB3 LYS A 65 -2.538 11.987 2.559 1.00 11.44 H new ATOM 0 HG2 LYS A 65 -2.415 11.343 4.759 1.00 23.21 H new ATOM 0 HG3 LYS A 65 -1.042 10.454 4.133 1.00 23.21 H new ATOM 0 HD2 LYS A 65 0.367 11.584 5.477 1.00 3.24 H new ATOM 0 HD3 LYS A 65 -0.161 13.115 4.806 1.00 3.24 H new ATOM 0 HE2 LYS A 65 -2.165 13.023 6.361 1.00 12.14 H new ATOM 0 HE3 LYS A 65 -1.466 11.596 7.098 1.00 12.14 H new ATOM 0 HZ1 LYS A 65 -0.464 13.051 8.441 1.00 51.32 H new ATOM 0 HZ2 LYS A 65 0.603 13.341 7.152 1.00 51.32 H new ATOM 0 HZ3 LYS A 65 -0.727 14.367 7.401 1.00 51.32 H new ATOM 1046 N LEU A 66 0.287 12.539 -0.216 1.00 32.24 N ATOM 1047 CA LEU A 66 0.194 13.222 -1.501 1.00 53.21 C ATOM 1048 C LEU A 66 -0.208 12.251 -2.606 1.00 65.34 C ATOM 1049 O LEU A 66 0.061 11.052 -2.522 1.00 52.03 O ATOM 1050 CB LEU A 66 1.529 13.883 -1.847 1.00 40.34 C ATOM 1051 CG LEU A 66 1.568 15.409 -1.749 1.00 23.32 C ATOM 1052 CD1 LEU A 66 2.968 15.927 -2.041 1.00 21.45 C ATOM 1053 CD2 LEU A 66 0.558 16.031 -2.702 1.00 20.14 C ATOM 0 H LEU A 66 1.168 12.049 -0.062 1.00 32.24 H new ATOM 0 HA LEU A 66 -0.575 13.991 -1.421 1.00 53.21 H new ATOM 0 HB2 LEU A 66 2.295 13.477 -1.186 1.00 40.34 H new ATOM 0 HB3 LEU A 66 1.801 13.597 -2.863 1.00 40.34 H new ATOM 0 HG LEU A 66 1.301 15.695 -0.732 1.00 23.32 H new ATOM 0 HD11 LEU A 66 2.976 17.014 -1.967 1.00 21.45 H new ATOM 0 HD12 LEU A 66 3.669 15.508 -1.319 1.00 21.45 H new ATOM 0 HD13 LEU A 66 3.263 15.630 -3.047 1.00 21.45 H new ATOM 0 HD21 LEU A 66 0.600 17.117 -2.619 1.00 20.14 H new ATOM 0 HD22 LEU A 66 0.793 15.736 -3.725 1.00 20.14 H new ATOM 0 HD23 LEU A 66 -0.444 15.686 -2.446 1.00 20.14 H new ATOM 1065 N LYS A 67 -0.850 12.776 -3.644 1.00 33.10 N ATOM 1066 CA LYS A 67 -1.286 11.957 -4.769 1.00 0.00 C ATOM 1067 C LYS A 67 -0.090 11.443 -5.564 1.00 4.43 C ATOM 1068 O LYS A 67 1.013 11.987 -5.493 1.00 53.21 O ATOM 1069 CB LYS A 67 -2.212 12.762 -5.684 1.00 22.12 C ATOM 1070 CG LYS A 67 -3.688 12.507 -5.432 1.00 2.44 C ATOM 1071 CD LYS A 67 -4.277 13.538 -4.484 1.00 14.23 C ATOM 1072 CE LYS A 67 -5.212 12.894 -3.471 1.00 2.01 C ATOM 1073 NZ LYS A 67 -5.310 13.695 -2.219 1.00 63.41 N ATOM 0 H LYS A 67 -1.080 13.766 -3.730 1.00 33.10 H new ATOM 0 HA LYS A 67 -1.831 11.101 -4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.007 13.824 -5.550 1.00 22.12 H new ATOM 0 HB3 LYS A 67 -1.982 12.521 -6.722 1.00 22.12 H new ATOM 0 HG2 LYS A 67 -4.229 12.530 -6.378 1.00 2.44 H new ATOM 0 HG3 LYS A 67 -3.820 11.509 -5.014 1.00 2.44 H new ATOM 0 HD2 LYS A 67 -3.472 14.055 -3.961 1.00 14.23 H new ATOM 0 HD3 LYS A 67 -4.820 14.291 -5.055 1.00 14.23 H new ATOM 0 HE2 LYS A 67 -6.203 12.784 -3.910 1.00 2.01 H new ATOM 0 HE3 LYS A 67 -4.856 11.892 -3.234 1.00 2.01 H new ATOM 0 HZ1 LYS A 67 -5.956 13.223 -1.555 1.00 63.41 H new ATOM 0 HZ2 LYS A 67 -4.368 13.779 -1.786 1.00 63.41 H new ATOM 0 HZ3 LYS A 67 -5.674 14.643 -2.441 1.00 63.41 H new ATOM 1087 N PRO A 68 -0.310 10.372 -6.340 1.00 24.22 N ATOM 1088 CA PRO A 68 0.738 9.763 -7.164 1.00 64.04 C ATOM 1089 C PRO A 68 1.143 10.651 -8.336 1.00 61.22 C ATOM 1090 O PRO A 68 2.314 10.706 -8.710 1.00 32.11 O ATOM 1091 CB PRO A 68 0.087 8.473 -7.670 1.00 42.45 C ATOM 1092 CG PRO A 68 -1.376 8.751 -7.640 1.00 32.32 C ATOM 1093 CD PRO A 68 -1.599 9.672 -6.473 1.00 4.33 C ATOM 0 HA PRO A 68 1.657 9.600 -6.600 1.00 64.04 H new ATOM 0 HB2 PRO A 68 0.423 8.229 -8.678 1.00 42.45 H new ATOM 0 HB3 PRO A 68 0.342 7.625 -7.034 1.00 42.45 H new ATOM 0 HG2 PRO A 68 -1.704 9.214 -8.571 1.00 32.32 H new ATOM 0 HG3 PRO A 68 -1.946 7.829 -7.524 1.00 32.32 H new ATOM 0 HD2 PRO A 68 -2.417 10.368 -6.661 1.00 4.33 H new ATOM 0 HD3 PRO A 68 -1.852 9.120 -5.568 1.00 4.33 H new ATOM 1101 N ASN A 69 0.166 11.345 -8.912 1.00 25.23 N ATOM 1102 CA ASN A 69 0.422 12.231 -10.042 1.00 32.42 C ATOM 1103 C ASN A 69 1.026 13.551 -9.573 1.00 31.33 C ATOM 1104 O ASN A 69 1.575 14.313 -10.369 1.00 11.43 O ATOM 1105 CB ASN A 69 -0.873 12.495 -10.812 1.00 75.22 C ATOM 1106 CG ASN A 69 -1.709 11.241 -10.986 1.00 1.22 C ATOM 1107 OD1 ASN A 69 -2.901 11.229 -10.680 1.00 55.35 O ATOM 1108 ND2 ASN A 69 -1.084 10.178 -11.478 1.00 74.33 N ATOM 0 H ASN A 69 -0.809 11.311 -8.615 1.00 25.23 H new ATOM 0 HA ASN A 69 1.137 11.740 -10.702 1.00 32.42 H new ATOM 0 HB2 ASN A 69 -1.459 13.248 -10.285 1.00 75.22 H new ATOM 0 HB3 ASN A 69 -0.632 12.907 -11.792 1.00 75.22 H new ATOM 0 HD21 ASN A 69 -1.594 9.305 -11.616 1.00 74.33 H new ATOM 0 HD22 ASN A 69 -0.094 10.234 -11.718 1.00 74.33 H new ATOM 1115 N THR A 70 0.922 13.815 -8.274 1.00 35.32 N ATOM 1116 CA THR A 70 1.456 15.042 -7.698 1.00 25.11 C ATOM 1117 C THR A 70 2.713 15.493 -8.434 1.00 74.14 C ATOM 1118 O THR A 70 3.669 14.731 -8.577 1.00 22.24 O ATOM 1119 CB THR A 70 1.787 14.864 -6.204 1.00 60.00 C ATOM 1120 OG1 THR A 70 0.587 14.614 -5.463 1.00 43.32 O ATOM 1121 CG2 THR A 70 2.482 16.100 -5.653 1.00 33.24 C ATOM 0 H THR A 70 0.472 13.194 -7.601 1.00 35.32 H new ATOM 0 HA THR A 70 0.683 15.803 -7.803 1.00 25.11 H new ATOM 0 HB THR A 70 2.460 14.013 -6.102 1.00 60.00 H new ATOM 0 HG1 THR A 70 0.587 13.688 -5.143 1.00 43.32 H new ATOM 0 HG21 THR A 70 2.706 15.951 -4.597 1.00 33.24 H new ATOM 0 HG22 THR A 70 3.409 16.270 -6.200 1.00 33.24 H new ATOM 0 HG23 THR A 70 1.829 16.966 -5.767 1.00 33.24 H new ATOM 1129 N LYS A 71 2.705 16.737 -8.901 1.00 74.12 N ATOM 1130 CA LYS A 71 3.844 17.292 -9.622 1.00 63.50 C ATOM 1131 C LYS A 71 4.746 18.088 -8.684 1.00 61.42 C ATOM 1132 O LYS A 71 4.270 18.735 -7.751 1.00 33.40 O ATOM 1133 CB LYS A 71 3.364 18.187 -10.766 1.00 74.34 C ATOM 1134 CG LYS A 71 2.239 17.576 -11.585 1.00 43.20 C ATOM 1135 CD LYS A 71 0.917 18.279 -11.328 1.00 10.13 C ATOM 1136 CE LYS A 71 -0.241 17.293 -11.294 1.00 1.41 C ATOM 1137 NZ LYS A 71 -0.937 17.301 -9.978 1.00 33.24 N ATOM 0 H LYS A 71 1.921 17.381 -8.793 1.00 74.12 H new ATOM 0 HA LYS A 71 4.419 16.463 -10.035 1.00 63.50 H new ATOM 0 HB2 LYS A 71 3.028 19.139 -10.355 1.00 74.34 H new ATOM 0 HB3 LYS A 71 4.205 18.404 -11.424 1.00 74.34 H new ATOM 0 HG2 LYS A 71 2.485 17.637 -12.645 1.00 43.20 H new ATOM 0 HG3 LYS A 71 2.143 16.518 -11.341 1.00 43.20 H new ATOM 0 HD2 LYS A 71 0.967 18.816 -10.381 1.00 10.13 H new ATOM 0 HD3 LYS A 71 0.741 19.022 -12.106 1.00 10.13 H new ATOM 0 HE2 LYS A 71 -0.952 17.540 -12.082 1.00 1.41 H new ATOM 0 HE3 LYS A 71 0.130 16.290 -11.503 1.00 1.41 H new ATOM 0 HZ1 LYS A 71 -1.653 16.547 -9.959 1.00 33.24 H new ATOM 0 HZ2 LYS A 71 -0.245 17.141 -9.218 1.00 33.24 H new ATOM 0 HZ3 LYS A 71 -1.400 18.221 -9.836 1.00 33.24 H new ATOM 1151 N ILE A 72 6.049 18.037 -8.939 1.00 62.31 N ATOM 1152 CA ILE A 72 7.016 18.756 -8.119 1.00 21.53 C ATOM 1153 C ILE A 72 7.727 19.836 -8.927 1.00 12.15 C ATOM 1154 O ILE A 72 8.204 19.585 -10.033 1.00 14.40 O ATOM 1155 CB ILE A 72 8.068 17.801 -7.522 1.00 13.50 C ATOM 1156 CG1 ILE A 72 7.383 16.662 -6.764 1.00 52.15 C ATOM 1157 CG2 ILE A 72 9.013 18.562 -6.604 1.00 53.31 C ATOM 1158 CD1 ILE A 72 6.470 17.137 -5.656 1.00 35.31 C ATOM 0 H ILE A 72 6.459 17.505 -9.707 1.00 62.31 H new ATOM 0 HA ILE A 72 6.457 19.222 -7.307 1.00 21.53 H new ATOM 0 HB ILE A 72 8.651 17.371 -8.337 1.00 13.50 H new ATOM 0 HG12 ILE A 72 6.805 16.063 -7.468 1.00 52.15 H new ATOM 0 HG13 ILE A 72 8.145 16.008 -6.340 1.00 52.15 H new ATOM 0 HG21 ILE A 72 9.750 17.874 -6.190 1.00 53.31 H new ATOM 0 HG22 ILE A 72 9.522 19.341 -7.171 1.00 53.31 H new ATOM 0 HG23 ILE A 72 8.445 19.016 -5.792 1.00 53.31 H new ATOM 0 HD11 ILE A 72 6.019 16.276 -5.162 1.00 35.31 H new ATOM 0 HD12 ILE A 72 7.046 17.711 -4.930 1.00 35.31 H new ATOM 0 HD13 ILE A 72 5.686 17.767 -6.076 1.00 35.31 H new ATOM 1170 N MET A 73 7.795 21.039 -8.365 1.00 22.54 N ATOM 1171 CA MET A 73 8.451 22.157 -9.032 1.00 11.33 C ATOM 1172 C MET A 73 9.840 22.400 -8.449 1.00 34.51 C ATOM 1173 O MET A 73 10.046 22.279 -7.242 1.00 14.43 O ATOM 1174 CB MET A 73 7.603 23.424 -8.903 1.00 12.05 C ATOM 1175 CG MET A 73 6.210 23.286 -9.495 1.00 71.24 C ATOM 1176 SD MET A 73 5.054 24.507 -8.845 1.00 51.31 S ATOM 1177 CE MET A 73 5.062 25.717 -10.166 1.00 13.45 C ATOM 0 H MET A 73 7.404 21.264 -7.450 1.00 22.54 H new ATOM 0 HA MET A 73 8.558 21.905 -10.087 1.00 11.33 H new ATOM 0 HB2 MET A 73 7.516 23.688 -7.849 1.00 12.05 H new ATOM 0 HB3 MET A 73 8.118 24.248 -9.396 1.00 12.05 H new ATOM 0 HG2 MET A 73 6.268 23.388 -10.579 1.00 71.24 H new ATOM 0 HG3 MET A 73 5.830 22.286 -9.289 1.00 71.24 H new ATOM 0 HE1 MET A 73 4.392 26.538 -9.911 1.00 13.45 H new ATOM 0 HE2 MET A 73 6.073 26.102 -10.301 1.00 13.45 H new ATOM 0 HE3 MET A 73 4.726 25.248 -11.091 1.00 13.45 H new ATOM 1187 N MET A 74 10.789 22.741 -9.315 1.00 35.34 N ATOM 1188 CA MET A 74 12.157 23.000 -8.884 1.00 45.53 C ATOM 1189 C MET A 74 12.691 24.284 -9.513 1.00 33.10 C ATOM 1190 O MET A 74 12.765 24.403 -10.736 1.00 34.34 O ATOM 1191 CB MET A 74 13.063 21.824 -9.253 1.00 73.43 C ATOM 1192 CG MET A 74 12.744 20.549 -8.489 1.00 23.11 C ATOM 1193 SD MET A 74 13.837 19.184 -8.929 1.00 74.33 S ATOM 1194 CE MET A 74 13.361 18.906 -10.634 1.00 33.45 C ATOM 0 H MET A 74 10.636 22.844 -10.318 1.00 35.34 H new ATOM 0 HA MET A 74 12.153 23.120 -7.801 1.00 45.53 H new ATOM 0 HB2 MET A 74 12.975 21.629 -10.322 1.00 73.43 H new ATOM 0 HB3 MET A 74 14.100 22.101 -9.064 1.00 73.43 H new ATOM 0 HG2 MET A 74 12.823 20.742 -7.419 1.00 23.11 H new ATOM 0 HG3 MET A 74 11.711 20.261 -8.686 1.00 23.11 H new ATOM 0 HE1 MET A 74 13.434 17.843 -10.863 1.00 33.45 H new ATOM 0 HE2 MET A 74 12.334 19.240 -10.784 1.00 33.45 H new ATOM 0 HE3 MET A 74 14.025 19.466 -11.293 1.00 33.45 H new ATOM 1204 N MET A 75 13.060 25.242 -8.669 1.00 65.30 N ATOM 1205 CA MET A 75 13.588 26.516 -9.143 1.00 74.14 C ATOM 1206 C MET A 75 15.077 26.636 -8.837 1.00 0.13 C ATOM 1207 O MET A 75 15.495 26.520 -7.685 1.00 52.44 O ATOM 1208 CB MET A 75 12.827 27.678 -8.501 1.00 24.32 C ATOM 1209 CG MET A 75 11.355 27.723 -8.877 1.00 22.41 C ATOM 1210 SD MET A 75 10.971 29.061 -10.022 1.00 44.50 S ATOM 1211 CE MET A 75 9.616 28.340 -10.944 1.00 41.03 C ATOM 0 H MET A 75 13.003 25.160 -7.654 1.00 65.30 H new ATOM 0 HA MET A 75 13.454 26.557 -10.224 1.00 74.14 H new ATOM 0 HB2 MET A 75 12.914 27.604 -7.417 1.00 24.32 H new ATOM 0 HB3 MET A 75 13.297 28.616 -8.795 1.00 24.32 H new ATOM 0 HG2 MET A 75 11.070 26.772 -9.327 1.00 22.41 H new ATOM 0 HG3 MET A 75 10.757 27.840 -7.973 1.00 22.41 H new ATOM 0 HE1 MET A 75 9.958 28.073 -11.944 1.00 41.03 H new ATOM 0 HE2 MET A 75 9.261 27.446 -10.431 1.00 41.03 H new ATOM 0 HE3 MET A 75 8.803 29.062 -11.020 1.00 41.03 H new ATOM 1221 N GLY A 76 15.874 26.869 -9.875 1.00 70.34 N ATOM 1222 CA GLY A 76 17.308 27.000 -9.695 1.00 50.03 C ATOM 1223 C GLY A 76 18.072 26.844 -10.995 1.00 62.10 C ATOM 1224 O GLY A 76 17.529 27.076 -12.076 1.00 4.52 O ATOM 0 H GLY A 76 15.552 26.969 -10.838 1.00 70.34 H new ATOM 0 HA2 GLY A 76 17.529 27.976 -9.262 1.00 50.03 H new ATOM 0 HA3 GLY A 76 17.652 26.250 -8.983 1.00 50.03 H new ATOM 1228 N THR A 77 19.338 26.450 -10.892 1.00 51.11 N ATOM 1229 CA THR A 77 20.179 26.266 -12.068 1.00 1.01 C ATOM 1230 C THR A 77 20.952 24.955 -11.991 1.00 23.41 C ATOM 1231 O THR A 77 21.377 24.536 -10.914 1.00 22.11 O ATOM 1232 CB THR A 77 21.177 27.428 -12.232 1.00 53.14 C ATOM 1233 OG1 THR A 77 22.106 27.132 -13.281 1.00 74.41 O ATOM 1234 CG2 THR A 77 21.931 27.681 -10.936 1.00 65.00 C ATOM 0 H THR A 77 19.803 26.252 -10.006 1.00 51.11 H new ATOM 0 HA THR A 77 19.514 26.243 -12.932 1.00 1.01 H new ATOM 0 HB THR A 77 20.615 28.326 -12.488 1.00 53.14 H new ATOM 0 HG1 THR A 77 22.736 27.876 -13.380 1.00 74.41 H new ATOM 0 HG21 THR A 77 22.630 28.506 -11.077 1.00 65.00 H new ATOM 0 HG22 THR A 77 21.223 27.935 -10.147 1.00 65.00 H new ATOM 0 HG23 THR A 77 22.481 26.783 -10.654 1.00 65.00 H new ATOM 1242 N ARG A 78 21.132 24.311 -13.139 1.00 70.45 N ATOM 1243 CA ARG A 78 21.854 23.046 -13.201 1.00 62.33 C ATOM 1244 C ARG A 78 23.313 23.232 -12.796 1.00 3.42 C ATOM 1245 O ARG A 78 23.859 24.331 -12.895 1.00 33.13 O ATOM 1246 CB ARG A 78 21.777 22.458 -14.612 1.00 11.33 C ATOM 1247 CG ARG A 78 20.509 21.661 -14.871 1.00 21.13 C ATOM 1248 CD ARG A 78 19.519 22.447 -15.716 1.00 44.21 C ATOM 1249 NE ARG A 78 19.654 22.146 -17.139 1.00 21.13 N ATOM 1250 CZ ARG A 78 19.068 22.853 -18.098 1.00 45.44 C ATOM 1251 NH1 ARG A 78 18.313 23.898 -17.789 1.00 75.13 N ATOM 1252 NH2 ARG A 78 19.239 22.517 -19.371 1.00 31.24 N ATOM 0 H ARG A 78 20.788 24.644 -14.039 1.00 70.45 H new ATOM 0 HA ARG A 78 21.385 22.355 -12.500 1.00 62.33 H new ATOM 0 HB2 ARG A 78 21.841 23.268 -15.338 1.00 11.33 H new ATOM 0 HB3 ARG A 78 22.641 21.814 -14.776 1.00 11.33 H new ATOM 0 HG2 ARG A 78 20.761 20.729 -15.377 1.00 21.13 H new ATOM 0 HG3 ARG A 78 20.046 21.393 -13.921 1.00 21.13 H new ATOM 0 HD2 ARG A 78 18.504 22.218 -15.392 1.00 44.21 H new ATOM 0 HD3 ARG A 78 19.672 23.514 -15.555 1.00 44.21 H new ATOM 0 HE ARG A 78 20.230 21.349 -17.411 1.00 21.13 H new ATOM 0 HH11 ARG A 78 18.181 24.161 -16.812 1.00 75.13 H new ATOM 0 HH12 ARG A 78 17.864 24.439 -18.528 1.00 75.13 H new ATOM 0 HH21 ARG A 78 19.821 21.715 -19.613 1.00 31.24 H new ATOM 0 HH22 ARG A 78 18.788 23.061 -20.107 1.00 31.24 H new ATOM 1266 N GLU A 79 23.938 22.152 -12.339 1.00 22.40 N ATOM 1267 CA GLU A 79 25.333 22.198 -11.917 1.00 64.34 C ATOM 1268 C GLU A 79 26.268 22.104 -13.120 1.00 5.13 C ATOM 1269 O GLU A 79 26.002 21.369 -14.070 1.00 21.24 O ATOM 1270 CB GLU A 79 25.631 21.062 -10.937 1.00 33.45 C ATOM 1271 CG GLU A 79 25.403 21.438 -9.482 1.00 70.11 C ATOM 1272 CD GLU A 79 26.553 22.236 -8.899 1.00 52.22 C ATOM 1273 OE1 GLU A 79 27.105 23.094 -9.619 1.00 25.11 O ATOM 1274 OE2 GLU A 79 26.900 22.003 -7.722 1.00 74.22 O ATOM 0 H GLU A 79 23.501 21.235 -12.251 1.00 22.40 H new ATOM 0 HA GLU A 79 25.504 23.152 -11.418 1.00 64.34 H new ATOM 0 HB2 GLU A 79 25.004 20.206 -11.185 1.00 33.45 H new ATOM 0 HB3 GLU A 79 26.666 20.746 -11.064 1.00 33.45 H new ATOM 0 HG2 GLU A 79 24.484 22.019 -9.400 1.00 70.11 H new ATOM 0 HG3 GLU A 79 25.260 20.531 -8.894 1.00 70.11 H new ATOM 1281 N GLU A 80 27.364 22.855 -13.070 1.00 1.32 N ATOM 1282 CA GLU A 80 28.338 22.858 -14.155 1.00 53.13 C ATOM 1283 C GLU A 80 27.685 23.272 -15.471 1.00 13.22 C ATOM 1284 O GLU A 80 27.203 22.431 -16.229 1.00 62.51 O ATOM 1285 CB GLU A 80 28.974 21.474 -14.303 1.00 3.54 C ATOM 1286 CG GLU A 80 30.383 21.510 -14.870 1.00 43.11 C ATOM 1287 CD GLU A 80 31.438 21.174 -13.834 1.00 63.31 C ATOM 1288 OE1 GLU A 80 31.602 21.960 -12.878 1.00 13.22 O ATOM 1289 OE2 GLU A 80 32.100 20.125 -13.979 1.00 62.04 O ATOM 0 H GLU A 80 27.599 23.469 -12.290 1.00 1.32 H new ATOM 0 HA GLU A 80 29.114 23.583 -13.910 1.00 53.13 H new ATOM 0 HB2 GLU A 80 28.996 20.987 -13.328 1.00 3.54 H new ATOM 0 HB3 GLU A 80 28.346 20.862 -14.951 1.00 3.54 H new ATOM 0 HG2 GLU A 80 30.455 20.805 -15.698 1.00 43.11 H new ATOM 0 HG3 GLU A 80 30.582 22.502 -15.277 1.00 43.11 H new ATOM 1296 N SER A 81 27.672 24.575 -15.734 1.00 11.00 N ATOM 1297 CA SER A 81 27.074 25.102 -16.955 1.00 44.42 C ATOM 1298 C SER A 81 25.584 24.780 -17.014 1.00 2.53 C ATOM 1299 O SER A 81 24.804 25.617 -17.465 1.00 53.13 O ATOM 1300 CB SER A 81 27.781 24.526 -18.184 1.00 12.22 C ATOM 1301 OG SER A 81 27.924 25.507 -19.196 1.00 42.14 O ATOM 0 H SER A 81 28.069 25.285 -15.118 1.00 11.00 H new ATOM 0 HA SER A 81 27.193 26.185 -16.950 1.00 44.42 H new ATOM 0 HB2 SER A 81 28.763 24.147 -17.899 1.00 12.22 H new ATOM 0 HB3 SER A 81 27.213 23.680 -18.571 1.00 12.22 H new ATOM 0 HG SER A 81 28.380 25.115 -19.970 1.00 42.14 H new HETATM 1307 N NH2 A 90 25.227 23.588 -16.561 1.00 35.12 N TER 1309 NH2 A 90