USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=17 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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 36 THR OG1 : rot 170:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= 0.0135 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 15 SER OG : rot 26:sc= 0.0762 USER MOD Single : A 17 THR OG1 : rot 51:sc= 0.0022 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 50:sc= 0.64 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 149:sc= -0.978 (180deg=-2.14!) USER MOD Single : A 30 GLN : amide:sc= -0.725 X(o=-0.73,f=-0.94) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= -0.566 (180deg=-1.44!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0735 USER MOD Single : A 43 GLN :FLIP amide:sc= -8.19! C(o=-9.3!,f=-8.2!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.47 K(o=-2.5,f=-7.5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 70 THR OG1 : rot 111:sc= -0.936 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -167:sc= 0 (180deg=-0.11) USER MOD Single : A 74 MET CE :methyl -172:sc= -3 (180deg=-3.53!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0237 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.539 -0.353 0.105 1.00 33.44 N ATOM 2 CA MET A 1 2.212 -0.261 -1.185 1.00 54.40 C ATOM 3 C MET A 1 2.999 1.041 -1.295 1.00 42.01 C ATOM 4 O MET A 1 3.024 1.843 -0.362 1.00 50.01 O ATOM 5 CB MET A 1 1.193 -0.352 -2.323 1.00 42.10 C ATOM 6 CG MET A 1 1.460 -1.496 -3.287 1.00 65.05 C ATOM 7 SD MET A 1 1.947 -0.924 -4.926 1.00 45.54 S ATOM 8 CE MET A 1 0.789 -1.821 -5.957 1.00 25.24 C ATOM 0 H1 MET A 1 1.408 -1.353 0.357 1.00 33.44 H new ATOM 0 H2 MET A 1 2.117 0.115 0.832 1.00 33.44 H new ATOM 0 H3 MET A 1 0.612 0.114 0.047 1.00 33.44 H new ATOM 0 HA MET A 1 2.910 -1.095 -1.264 1.00 54.40 H new ATOM 0 HB2 MET A 1 0.196 -0.470 -1.899 1.00 42.10 H new ATOM 0 HB3 MET A 1 1.194 0.587 -2.877 1.00 42.10 H new ATOM 0 HG2 MET A 1 2.246 -2.133 -2.880 1.00 65.05 H new ATOM 0 HG3 MET A 1 0.564 -2.111 -3.372 1.00 65.05 H new ATOM 0 HE1 MET A 1 0.965 -1.572 -7.003 1.00 25.24 H new ATOM 0 HE2 MET A 1 0.926 -2.892 -5.811 1.00 25.24 H new ATOM 0 HE3 MET A 1 -0.230 -1.545 -5.685 1.00 25.24 H new ATOM 18 N ALA A 2 3.642 1.244 -2.441 1.00 34.33 N ATOM 19 CA ALA A 2 4.428 2.449 -2.673 1.00 24.45 C ATOM 20 C ALA A 2 3.567 3.562 -3.258 1.00 42.44 C ATOM 21 O ALA A 2 2.581 3.301 -3.949 1.00 22.13 O ATOM 22 CB ALA A 2 5.600 2.145 -3.594 1.00 62.42 C ATOM 0 H ALA A 2 3.634 0.589 -3.223 1.00 34.33 H new ATOM 0 HA ALA A 2 4.814 2.792 -1.713 1.00 24.45 H new ATOM 0 HB1 ALA A 2 6.179 3.054 -3.759 1.00 62.42 H new ATOM 0 HB2 ALA A 2 6.236 1.388 -3.135 1.00 62.42 H new ATOM 0 HB3 ALA A 2 5.226 1.775 -4.549 1.00 62.42 H new ATOM 28 N LEU A 3 3.945 4.805 -2.979 1.00 33.14 N ATOM 29 CA LEU A 3 3.206 5.960 -3.478 1.00 20.33 C ATOM 30 C LEU A 3 4.018 6.715 -4.525 1.00 64.41 C ATOM 31 O LEU A 3 5.016 7.369 -4.220 1.00 33.32 O ATOM 32 CB LEU A 3 2.845 6.896 -2.324 1.00 14.43 C ATOM 33 CG LEU A 3 1.358 6.995 -1.979 1.00 60.43 C ATOM 34 CD1 LEU A 3 1.142 7.943 -0.811 1.00 4.54 C ATOM 35 CD2 LEU A 3 0.559 7.449 -3.192 1.00 34.31 C ATOM 0 H LEU A 3 4.759 5.039 -2.410 1.00 33.14 H new ATOM 0 HA LEU A 3 2.290 5.600 -3.946 1.00 20.33 H new ATOM 0 HB2 LEU A 3 3.383 6.567 -1.435 1.00 14.43 H new ATOM 0 HB3 LEU A 3 3.209 7.895 -2.565 1.00 14.43 H new ATOM 0 HG LEU A 3 1.006 6.006 -1.686 1.00 60.43 H new ATOM 0 HD11 LEU A 3 0.078 8.000 -0.581 1.00 4.54 H new ATOM 0 HD12 LEU A 3 1.683 7.575 0.061 1.00 4.54 H new ATOM 0 HD13 LEU A 3 1.510 8.935 -1.074 1.00 4.54 H new ATOM 0 HD21 LEU A 3 -0.497 7.514 -2.929 1.00 34.31 H new ATOM 0 HD22 LEU A 3 0.913 8.428 -3.515 1.00 34.31 H new ATOM 0 HD23 LEU A 3 0.687 6.731 -4.002 1.00 34.31 H new ATOM 47 N PRO A 4 3.582 6.625 -5.790 1.00 60.03 N ATOM 48 CA PRO A 4 4.253 7.295 -6.908 1.00 54.42 C ATOM 49 C PRO A 4 4.091 8.811 -6.856 1.00 62.24 C ATOM 50 O PRO A 4 3.153 9.324 -6.246 1.00 72.20 O ATOM 51 CB PRO A 4 3.546 6.724 -8.140 1.00 14.21 C ATOM 52 CG PRO A 4 2.201 6.312 -7.648 1.00 1.21 C ATOM 53 CD PRO A 4 2.400 5.863 -6.227 1.00 21.23 C ATOM 0 HA PRO A 4 5.329 7.123 -6.900 1.00 54.42 H new ATOM 0 HB2 PRO A 4 3.467 7.469 -8.932 1.00 14.21 H new ATOM 0 HB3 PRO A 4 4.093 5.877 -8.553 1.00 14.21 H new ATOM 0 HG2 PRO A 4 1.495 7.141 -7.700 1.00 1.21 H new ATOM 0 HG3 PRO A 4 1.792 5.507 -8.258 1.00 1.21 H new ATOM 0 HD2 PRO A 4 1.529 6.084 -5.610 1.00 21.23 H new ATOM 0 HD3 PRO A 4 2.570 4.788 -6.165 1.00 21.23 H new ATOM 61 N ILE A 5 5.011 9.521 -7.500 1.00 51.42 N ATOM 62 CA ILE A 5 4.969 10.978 -7.528 1.00 53.21 C ATOM 63 C ILE A 5 5.593 11.522 -8.809 1.00 23.24 C ATOM 64 O ILE A 5 6.638 11.044 -9.253 1.00 13.10 O ATOM 65 CB ILE A 5 5.699 11.586 -6.316 1.00 31.10 C ATOM 66 CG1 ILE A 5 5.065 11.096 -5.013 1.00 32.34 C ATOM 67 CG2 ILE A 5 5.669 13.105 -6.387 1.00 4.30 C ATOM 68 CD1 ILE A 5 5.663 11.726 -3.775 1.00 4.22 C ATOM 0 H ILE A 5 5.794 9.111 -8.009 1.00 51.42 H new ATOM 0 HA ILE A 5 3.918 11.264 -7.489 1.00 53.21 H new ATOM 0 HB ILE A 5 6.739 11.261 -6.337 1.00 31.10 H new ATOM 0 HG12 ILE A 5 3.996 11.306 -5.037 1.00 32.34 H new ATOM 0 HG13 ILE A 5 5.176 10.013 -4.949 1.00 32.34 H new ATOM 0 HG21 ILE A 5 6.189 13.520 -5.524 1.00 4.30 H new ATOM 0 HG22 ILE A 5 6.162 13.436 -7.301 1.00 4.30 H new ATOM 0 HG23 ILE A 5 4.635 13.449 -6.387 1.00 4.30 H new ATOM 0 HD11 ILE A 5 5.165 11.332 -2.889 1.00 4.22 H new ATOM 0 HD12 ILE A 5 6.727 11.494 -3.726 1.00 4.22 H new ATOM 0 HD13 ILE A 5 5.529 12.807 -3.816 1.00 4.22 H new ATOM 80 N ILE A 6 4.948 12.524 -9.396 1.00 21.10 N ATOM 81 CA ILE A 6 5.442 13.135 -10.624 1.00 21.42 C ATOM 82 C ILE A 6 6.280 14.373 -10.323 1.00 61.44 C ATOM 83 O ILE A 6 5.950 15.159 -9.435 1.00 72.25 O ATOM 84 CB ILE A 6 4.286 13.527 -11.562 1.00 73.44 C ATOM 85 CG1 ILE A 6 3.737 12.289 -12.276 1.00 45.22 C ATOM 86 CG2 ILE A 6 4.752 14.564 -12.572 1.00 51.35 C ATOM 87 CD1 ILE A 6 2.227 12.203 -12.262 1.00 43.02 C ATOM 0 H ILE A 6 4.082 12.930 -9.041 1.00 21.10 H new ATOM 0 HA ILE A 6 6.064 12.390 -11.120 1.00 21.42 H new ATOM 0 HB ILE A 6 3.486 13.964 -10.965 1.00 73.44 H new ATOM 0 HG12 ILE A 6 4.083 12.292 -13.310 1.00 45.22 H new ATOM 0 HG13 ILE A 6 4.148 11.396 -11.805 1.00 45.22 H new ATOM 0 HG21 ILE A 6 3.923 14.831 -13.228 1.00 51.35 H new ATOM 0 HG22 ILE A 6 5.100 15.453 -12.046 1.00 51.35 H new ATOM 0 HG23 ILE A 6 5.567 14.152 -13.167 1.00 51.35 H new ATOM 0 HD11 ILE A 6 1.909 11.301 -12.786 1.00 43.02 H new ATOM 0 HD12 ILE A 6 1.874 12.168 -11.231 1.00 43.02 H new ATOM 0 HD13 ILE A 6 1.808 13.078 -12.759 1.00 43.02 H new ATOM 99 N VAL A 7 7.366 14.541 -11.071 1.00 43.01 N ATOM 100 CA VAL A 7 8.251 15.685 -10.887 1.00 51.34 C ATOM 101 C VAL A 7 8.479 16.421 -12.203 1.00 72.43 C ATOM 102 O VAL A 7 8.935 15.833 -13.185 1.00 12.52 O ATOM 103 CB VAL A 7 9.612 15.255 -10.310 1.00 5.11 C ATOM 104 CG1 VAL A 7 10.304 14.275 -11.245 1.00 73.22 C ATOM 105 CG2 VAL A 7 10.491 16.471 -10.055 1.00 34.22 C ATOM 0 H VAL A 7 7.654 13.899 -11.810 1.00 43.01 H new ATOM 0 HA VAL A 7 7.760 16.354 -10.180 1.00 51.34 H new ATOM 0 HB VAL A 7 9.440 14.752 -9.358 1.00 5.11 H new ATOM 0 HG11 VAL A 7 11.264 13.983 -10.820 1.00 73.22 H new ATOM 0 HG12 VAL A 7 9.679 13.391 -11.372 1.00 73.22 H new ATOM 0 HG13 VAL A 7 10.465 14.748 -12.214 1.00 73.22 H new ATOM 0 HG21 VAL A 7 11.449 16.148 -9.647 1.00 34.22 H new ATOM 0 HG22 VAL A 7 10.656 17.003 -10.992 1.00 34.22 H new ATOM 0 HG23 VAL A 7 9.998 17.133 -9.343 1.00 34.22 H new ATOM 115 N LYS A 8 8.159 17.710 -12.217 1.00 50.12 N ATOM 116 CA LYS A 8 8.330 18.529 -13.412 1.00 31.52 C ATOM 117 C LYS A 8 9.497 19.496 -13.246 1.00 1.42 C ATOM 118 O LYS A 8 9.516 20.307 -12.319 1.00 63.33 O ATOM 119 CB LYS A 8 7.046 19.307 -13.710 1.00 24.13 C ATOM 120 CG LYS A 8 6.680 20.312 -12.631 1.00 45.03 C ATOM 121 CD LYS A 8 5.180 20.542 -12.569 1.00 73.51 C ATOM 122 CE LYS A 8 4.641 21.067 -13.891 1.00 0.32 C ATOM 123 NZ LYS A 8 3.975 22.390 -13.732 1.00 21.33 N ATOM 0 H LYS A 8 7.779 18.211 -11.414 1.00 50.12 H new ATOM 0 HA LYS A 8 8.548 17.866 -14.249 1.00 31.52 H new ATOM 0 HB2 LYS A 8 7.160 19.831 -14.659 1.00 24.13 H new ATOM 0 HB3 LYS A 8 6.224 18.602 -13.832 1.00 24.13 H new ATOM 0 HG2 LYS A 8 7.034 19.954 -11.664 1.00 45.03 H new ATOM 0 HG3 LYS A 8 7.186 21.257 -12.826 1.00 45.03 H new ATOM 0 HD2 LYS A 8 4.678 19.608 -12.315 1.00 73.51 H new ATOM 0 HD3 LYS A 8 4.952 21.252 -11.774 1.00 73.51 H new ATOM 0 HE2 LYS A 8 5.458 21.155 -14.607 1.00 0.32 H new ATOM 0 HE3 LYS A 8 3.931 20.350 -14.304 1.00 0.32 H new ATOM 0 HZ1 LYS A 8 3.621 22.714 -14.655 1.00 21.33 H new ATOM 0 HZ2 LYS A 8 3.179 22.301 -13.068 1.00 21.33 H new ATOM 0 HZ3 LYS A 8 4.659 23.081 -13.362 1.00 21.33 H new ATOM 137 N TRP A 9 10.466 19.407 -14.149 1.00 45.10 N ATOM 138 CA TRP A 9 11.637 20.277 -14.103 1.00 35.33 C ATOM 139 C TRP A 9 11.783 21.061 -15.402 1.00 4.44 C ATOM 140 O TRP A 9 12.269 20.537 -16.403 1.00 3.20 O ATOM 141 CB TRP A 9 12.899 19.453 -13.844 1.00 44.41 C ATOM 142 CG TRP A 9 14.161 20.160 -14.239 1.00 54.32 C ATOM 143 CD1 TRP A 9 15.115 19.710 -15.106 1.00 41.52 C ATOM 144 CD2 TRP A 9 14.605 21.442 -13.780 1.00 75.32 C ATOM 145 NE1 TRP A 9 16.126 20.635 -15.214 1.00 12.12 N ATOM 146 CE2 TRP A 9 15.836 21.706 -14.411 1.00 11.50 C ATOM 147 CE3 TRP A 9 14.081 22.392 -12.900 1.00 10.05 C ATOM 148 CZ2 TRP A 9 16.550 22.881 -14.187 1.00 34.35 C ATOM 149 CZ3 TRP A 9 14.791 23.557 -12.678 1.00 34.24 C ATOM 150 CH2 TRP A 9 16.014 23.794 -13.319 1.00 75.44 C ATOM 0 H TRP A 9 10.465 18.742 -14.922 1.00 45.10 H new ATOM 0 HA TRP A 9 11.501 20.986 -13.287 1.00 35.33 H new ATOM 0 HB2 TRP A 9 12.949 19.201 -12.785 1.00 44.41 H new ATOM 0 HB3 TRP A 9 12.830 18.514 -14.393 1.00 44.41 H new ATOM 0 HD1 TRP A 9 15.080 18.766 -15.630 1.00 41.52 H new ATOM 0 HE1 TRP A 9 16.957 20.539 -15.797 1.00 12.12 H new ATOM 0 HE3 TRP A 9 13.138 22.219 -12.402 1.00 10.05 H new ATOM 0 HZ2 TRP A 9 17.493 23.065 -14.681 1.00 34.35 H new ATOM 0 HZ3 TRP A 9 14.396 24.298 -11.998 1.00 34.24 H new ATOM 0 HH2 TRP A 9 16.544 24.715 -13.125 1.00 75.44 H new ATOM 161 N GLY A 10 11.360 22.322 -15.378 1.00 63.21 N ATOM 162 CA GLY A 10 11.454 23.158 -16.560 1.00 71.15 C ATOM 163 C GLY A 10 10.231 23.045 -17.449 1.00 31.12 C ATOM 164 O GLY A 10 9.361 23.915 -17.433 1.00 32.43 O ATOM 0 H GLY A 10 10.954 22.779 -14.561 1.00 63.21 H new ATOM 0 HA2 GLY A 10 11.584 24.197 -16.257 1.00 71.15 H new ATOM 0 HA3 GLY A 10 12.340 22.878 -17.129 1.00 71.15 H new ATOM 168 N GLY A 11 10.165 21.970 -18.228 1.00 74.24 N ATOM 169 CA GLY A 11 9.036 21.767 -19.118 1.00 42.11 C ATOM 170 C GLY A 11 8.785 20.301 -19.412 1.00 5.33 C ATOM 171 O GLY A 11 8.104 19.964 -20.379 1.00 62.05 O ATOM 0 H GLY A 11 10.873 21.236 -18.259 1.00 74.24 H new ATOM 0 HA2 GLY A 11 8.142 22.203 -18.671 1.00 42.11 H new ATOM 0 HA3 GLY A 11 9.215 22.296 -20.054 1.00 42.11 H new ATOM 175 N GLN A 12 9.339 19.429 -18.576 1.00 34.25 N ATOM 176 CA GLN A 12 9.173 17.991 -18.753 1.00 32.04 C ATOM 177 C GLN A 12 8.725 17.330 -17.453 1.00 3.41 C ATOM 178 O GLN A 12 9.211 17.670 -16.375 1.00 22.25 O ATOM 179 CB GLN A 12 10.481 17.361 -19.235 1.00 13.02 C ATOM 180 CG GLN A 12 10.849 17.740 -20.660 1.00 61.53 C ATOM 181 CD GLN A 12 10.719 16.577 -21.625 1.00 15.40 C ATOM 182 OE1 GLN A 12 9.716 15.863 -21.622 1.00 73.02 O ATOM 183 NE2 GLN A 12 11.734 16.382 -22.458 1.00 3.03 N ATOM 0 H GLN A 12 9.906 19.693 -17.770 1.00 34.25 H new ATOM 0 HA GLN A 12 8.401 17.830 -19.506 1.00 32.04 H new ATOM 0 HB2 GLN A 12 11.288 17.663 -18.567 1.00 13.02 H new ATOM 0 HB3 GLN A 12 10.399 16.276 -19.166 1.00 13.02 H new ATOM 0 HG2 GLN A 12 10.208 18.556 -20.992 1.00 61.53 H new ATOM 0 HG3 GLN A 12 11.874 18.111 -20.680 1.00 61.53 H new ATOM 0 HE21 GLN A 12 12.546 16.998 -22.426 1.00 3.03 H new ATOM 0 HE22 GLN A 12 11.702 15.616 -23.130 1.00 3.03 H new ATOM 192 N GLU A 13 7.796 16.386 -17.564 1.00 3.01 N ATOM 193 CA GLU A 13 7.283 15.679 -16.396 1.00 40.33 C ATOM 194 C GLU A 13 7.891 14.284 -16.294 1.00 63.52 C ATOM 195 O GLU A 13 8.101 13.610 -17.304 1.00 14.43 O ATOM 196 CB GLU A 13 5.758 15.579 -16.463 1.00 14.21 C ATOM 197 CG GLU A 13 5.052 16.915 -16.302 1.00 43.43 C ATOM 198 CD GLU A 13 3.542 16.785 -16.335 1.00 11.44 C ATOM 199 OE1 GLU A 13 2.966 16.825 -17.442 1.00 11.12 O ATOM 200 OE2 GLU A 13 2.936 16.644 -15.252 1.00 30.43 O ATOM 0 H GLU A 13 7.383 16.093 -18.450 1.00 3.01 H new ATOM 0 HA GLU A 13 7.565 16.245 -15.508 1.00 40.33 H new ATOM 0 HB2 GLU A 13 5.473 15.140 -17.419 1.00 14.21 H new ATOM 0 HB3 GLU A 13 5.412 14.899 -15.684 1.00 14.21 H new ATOM 0 HG2 GLU A 13 5.353 17.369 -15.358 1.00 43.43 H new ATOM 0 HG3 GLU A 13 5.372 17.589 -17.097 1.00 43.43 H new ATOM 207 N TYR A 14 8.173 13.856 -15.069 1.00 22.13 N ATOM 208 CA TYR A 14 8.760 12.542 -14.834 1.00 3.12 C ATOM 209 C TYR A 14 8.080 11.843 -13.661 1.00 12.12 C ATOM 210 O TYR A 14 8.096 12.339 -12.534 1.00 61.51 O ATOM 211 CB TYR A 14 10.260 12.671 -14.564 1.00 44.41 C ATOM 212 CG TYR A 14 11.043 13.212 -15.740 1.00 34.12 C ATOM 213 CD1 TYR A 14 11.069 14.574 -16.014 1.00 65.11 C ATOM 214 CD2 TYR A 14 11.754 12.361 -16.577 1.00 13.12 C ATOM 215 CE1 TYR A 14 11.782 15.072 -17.088 1.00 1.44 C ATOM 216 CE2 TYR A 14 12.470 12.851 -17.652 1.00 22.25 C ATOM 217 CZ TYR A 14 12.481 14.207 -17.903 1.00 22.01 C ATOM 218 OH TYR A 14 13.193 14.699 -18.973 1.00 74.44 O ATOM 0 H TYR A 14 8.005 14.400 -14.223 1.00 22.13 H new ATOM 0 HA TYR A 14 8.609 11.940 -15.730 1.00 3.12 H new ATOM 0 HB2 TYR A 14 10.411 13.326 -13.706 1.00 44.41 H new ATOM 0 HB3 TYR A 14 10.657 11.693 -14.293 1.00 44.41 H new ATOM 0 HD1 TYR A 14 10.523 15.254 -15.377 1.00 65.11 H new ATOM 0 HD2 TYR A 14 11.747 11.298 -16.384 1.00 13.12 H new ATOM 0 HE1 TYR A 14 11.792 16.133 -17.288 1.00 1.44 H new ATOM 0 HE2 TYR A 14 13.018 12.176 -18.292 1.00 22.25 H new ATOM 0 HH TYR A 14 13.629 13.958 -19.444 1.00 74.44 H new ATOM 228 N SER A 15 7.482 10.688 -13.935 1.00 23.32 N ATOM 229 CA SER A 15 6.793 9.920 -12.904 1.00 52.51 C ATOM 230 C SER A 15 7.777 9.059 -12.118 1.00 51.23 C ATOM 231 O SER A 15 8.609 8.361 -12.698 1.00 34.52 O ATOM 232 CB SER A 15 5.713 9.037 -13.533 1.00 4.14 C ATOM 233 OG SER A 15 6.268 8.165 -14.502 1.00 44.31 O ATOM 0 H SER A 15 7.461 10.263 -14.862 1.00 23.32 H new ATOM 0 HA SER A 15 6.323 10.622 -12.216 1.00 52.51 H new ATOM 0 HB2 SER A 15 5.217 8.455 -12.756 1.00 4.14 H new ATOM 0 HB3 SER A 15 4.951 9.664 -13.997 1.00 4.14 H new ATOM 0 HG SER A 15 7.213 8.005 -14.296 1.00 44.31 H new ATOM 239 N VAL A 16 7.676 9.115 -10.794 1.00 71.20 N ATOM 240 CA VAL A 16 8.555 8.340 -9.927 1.00 23.10 C ATOM 241 C VAL A 16 7.918 7.009 -9.546 1.00 35.33 C ATOM 242 O VAL A 16 6.763 6.959 -9.121 1.00 14.31 O ATOM 243 CB VAL A 16 8.904 9.116 -8.643 1.00 50.01 C ATOM 244 CG1 VAL A 16 9.813 8.288 -7.748 1.00 65.45 C ATOM 245 CG2 VAL A 16 9.551 10.450 -8.986 1.00 74.52 C ATOM 0 H VAL A 16 6.994 9.689 -10.298 1.00 71.20 H new ATOM 0 HA VAL A 16 9.470 8.153 -10.490 1.00 23.10 H new ATOM 0 HB VAL A 16 7.981 9.315 -8.098 1.00 50.01 H new ATOM 0 HG11 VAL A 16 10.048 8.853 -6.846 1.00 65.45 H new ATOM 0 HG12 VAL A 16 9.308 7.361 -7.474 1.00 65.45 H new ATOM 0 HG13 VAL A 16 10.735 8.055 -8.281 1.00 65.45 H new ATOM 0 HG21 VAL A 16 9.791 10.985 -8.067 1.00 74.52 H new ATOM 0 HG22 VAL A 16 10.465 10.276 -9.554 1.00 74.52 H new ATOM 0 HG23 VAL A 16 8.861 11.046 -9.583 1.00 74.52 H new ATOM 255 N THR A 17 8.678 5.929 -9.700 1.00 34.25 N ATOM 256 CA THR A 17 8.187 4.596 -9.372 1.00 42.01 C ATOM 257 C THR A 17 9.278 3.753 -8.721 1.00 11.52 C ATOM 258 O THR A 17 10.067 3.102 -9.406 1.00 41.32 O ATOM 259 CB THR A 17 7.669 3.865 -10.625 1.00 33.22 C ATOM 260 OG1 THR A 17 8.504 4.166 -11.748 1.00 72.45 O ATOM 261 CG2 THR A 17 6.234 4.267 -10.931 1.00 32.21 C ATOM 0 H THR A 17 9.636 5.951 -10.050 1.00 34.25 H new ATOM 0 HA THR A 17 7.364 4.726 -8.669 1.00 42.01 H new ATOM 0 HB THR A 17 7.696 2.793 -10.430 1.00 33.22 H new ATOM 0 HG1 THR A 17 9.442 4.009 -11.510 1.00 72.45 H new ATOM 0 HG21 THR A 17 5.890 3.738 -11.820 1.00 32.21 H new ATOM 0 HG22 THR A 17 5.596 4.010 -10.086 1.00 32.21 H new ATOM 0 HG23 THR A 17 6.187 5.342 -11.107 1.00 32.21 H new ATOM 269 N THR A 18 9.317 3.769 -7.392 1.00 22.10 N ATOM 270 CA THR A 18 10.312 3.007 -6.648 1.00 34.52 C ATOM 271 C THR A 18 10.247 3.325 -5.158 1.00 72.25 C ATOM 272 O THR A 18 10.583 2.488 -4.319 1.00 44.42 O ATOM 273 CB THR A 18 11.736 3.290 -7.160 1.00 42.54 C ATOM 274 OG1 THR A 18 12.701 2.831 -6.207 1.00 14.43 O ATOM 275 CG2 THR A 18 11.934 4.777 -7.414 1.00 12.45 C ATOM 0 H THR A 18 8.671 4.301 -6.809 1.00 22.10 H new ATOM 0 HA THR A 18 10.082 1.953 -6.802 1.00 34.52 H new ATOM 0 HB THR A 18 11.873 2.755 -8.100 1.00 42.54 H new ATOM 0 HG1 THR A 18 13.604 3.014 -6.542 1.00 14.43 H new ATOM 0 HG21 THR A 18 12.947 4.953 -7.775 1.00 12.45 H new ATOM 0 HG22 THR A 18 11.218 5.117 -8.162 1.00 12.45 H new ATOM 0 HG23 THR A 18 11.779 5.328 -6.487 1.00 12.45 H new ATOM 283 N LEU A 19 9.812 4.538 -4.836 1.00 31.21 N ATOM 284 CA LEU A 19 9.702 4.967 -3.446 1.00 30.31 C ATOM 285 C LEU A 19 8.370 4.529 -2.845 1.00 10.52 C ATOM 286 O LEU A 19 7.367 4.415 -3.550 1.00 23.14 O ATOM 287 CB LEU A 19 9.844 6.487 -3.348 1.00 24.52 C ATOM 288 CG LEU A 19 11.189 7.003 -2.834 1.00 32.23 C ATOM 289 CD1 LEU A 19 11.380 6.631 -1.372 1.00 33.15 C ATOM 290 CD2 LEU A 19 12.329 6.454 -3.679 1.00 2.22 C ATOM 0 H LEU A 19 9.530 5.242 -5.518 1.00 31.21 H new ATOM 0 HA LEU A 19 10.507 4.496 -2.881 1.00 30.31 H new ATOM 0 HB2 LEU A 19 9.667 6.913 -4.336 1.00 24.52 H new ATOM 0 HB3 LEU A 19 9.058 6.864 -2.693 1.00 24.52 H new ATOM 0 HG LEU A 19 11.194 8.090 -2.915 1.00 32.23 H new ATOM 0 HD11 LEU A 19 12.342 7.006 -1.024 1.00 33.15 H new ATOM 0 HD12 LEU A 19 10.581 7.073 -0.777 1.00 33.15 H new ATOM 0 HD13 LEU A 19 11.354 5.546 -1.266 1.00 33.15 H new ATOM 0 HD21 LEU A 19 13.278 6.832 -3.299 1.00 2.22 H new ATOM 0 HD22 LEU A 19 12.326 5.365 -3.631 1.00 2.22 H new ATOM 0 HD23 LEU A 19 12.201 6.772 -4.714 1.00 2.22 H new ATOM 302 N SER A 20 8.367 4.289 -1.538 1.00 21.34 N ATOM 303 CA SER A 20 7.159 3.863 -0.842 1.00 33.35 C ATOM 304 C SER A 20 6.938 4.691 0.421 1.00 64.31 C ATOM 305 O SER A 20 7.826 5.422 0.859 1.00 62.35 O ATOM 306 CB SER A 20 7.248 2.378 -0.482 1.00 41.23 C ATOM 307 OG SER A 20 8.571 1.895 -0.636 1.00 43.04 O ATOM 0 H SER A 20 9.188 4.382 -0.940 1.00 21.34 H new ATOM 0 HA SER A 20 6.312 4.018 -1.510 1.00 33.35 H new ATOM 0 HB2 SER A 20 6.921 2.230 0.547 1.00 41.23 H new ATOM 0 HB3 SER A 20 6.572 1.805 -1.117 1.00 41.23 H new ATOM 0 HG SER A 20 9.194 2.494 -0.174 1.00 43.04 H new ATOM 313 N GLU A 21 5.748 4.569 1.000 1.00 2.45 N ATOM 314 CA GLU A 21 5.411 5.307 2.212 1.00 14.21 C ATOM 315 C GLU A 21 6.380 4.971 3.342 1.00 42.45 C ATOM 316 O GLU A 21 6.536 5.741 4.289 1.00 4.44 O ATOM 317 CB GLU A 21 3.977 4.992 2.645 1.00 23.01 C ATOM 318 CG GLU A 21 2.965 5.088 1.516 1.00 63.02 C ATOM 319 CD GLU A 21 1.535 4.956 2.001 1.00 31.34 C ATOM 320 OE1 GLU A 21 1.237 3.973 2.712 1.00 64.12 O ATOM 321 OE2 GLU A 21 0.713 5.836 1.671 1.00 50.13 O ATOM 0 H GLU A 21 5.002 3.967 0.650 1.00 2.45 H new ATOM 0 HA GLU A 21 5.492 6.372 1.992 1.00 14.21 H new ATOM 0 HB2 GLU A 21 3.946 3.987 3.065 1.00 23.01 H new ATOM 0 HB3 GLU A 21 3.688 5.679 3.440 1.00 23.01 H new ATOM 0 HG2 GLU A 21 3.085 6.044 1.006 1.00 63.02 H new ATOM 0 HG3 GLU A 21 3.169 4.308 0.783 1.00 63.02 H new ATOM 328 N ASP A 22 7.028 3.817 3.233 1.00 23.11 N ATOM 329 CA ASP A 22 7.983 3.378 4.244 1.00 2.12 C ATOM 330 C ASP A 22 9.231 4.255 4.230 1.00 1.50 C ATOM 331 O ASP A 22 10.070 4.174 5.128 1.00 73.33 O ATOM 332 CB ASP A 22 8.369 1.917 4.011 1.00 25.34 C ATOM 333 CG ASP A 22 8.765 1.211 5.294 1.00 43.24 C ATOM 334 OD1 ASP A 22 7.871 0.656 5.966 1.00 0.12 O ATOM 335 OD2 ASP A 22 9.969 1.213 5.624 1.00 3.42 O ATOM 0 H ASP A 22 6.910 3.168 2.455 1.00 23.11 H new ATOM 0 HA ASP A 22 7.508 3.469 5.221 1.00 2.12 H new ATOM 0 HB2 ASP A 22 7.531 1.391 3.554 1.00 25.34 H new ATOM 0 HB3 ASP A 22 9.197 1.871 3.304 1.00 25.34 H new ATOM 340 N ASP A 23 9.347 5.093 3.205 1.00 5.05 N ATOM 341 CA ASP A 23 10.493 5.986 3.074 1.00 21.21 C ATOM 342 C ASP A 23 10.123 7.408 3.482 1.00 52.42 C ATOM 343 O ASP A 23 9.246 7.618 4.321 1.00 72.33 O ATOM 344 CB ASP A 23 11.014 5.973 1.636 1.00 1.42 C ATOM 345 CG ASP A 23 11.084 4.574 1.058 1.00 73.33 C ATOM 346 OD1 ASP A 23 10.029 4.051 0.642 1.00 52.12 O ATOM 347 OD2 ASP A 23 12.193 4.001 1.022 1.00 71.33 O ATOM 0 H ASP A 23 8.662 5.173 2.453 1.00 5.05 H new ATOM 0 HA ASP A 23 11.279 5.630 3.740 1.00 21.21 H new ATOM 0 HB2 ASP A 23 10.366 6.589 1.012 1.00 1.42 H new ATOM 0 HB3 ASP A 23 12.006 6.425 1.608 1.00 1.42 H new ATOM 352 N THR A 24 10.798 8.385 2.883 1.00 30.03 N ATOM 353 CA THR A 24 10.542 9.788 3.185 1.00 21.44 C ATOM 354 C THR A 24 10.482 10.622 1.911 1.00 3.33 C ATOM 355 O THR A 24 10.862 10.160 0.835 1.00 31.45 O ATOM 356 CB THR A 24 11.624 10.368 4.116 1.00 53.32 C ATOM 357 OG1 THR A 24 12.782 9.526 4.106 1.00 12.12 O ATOM 358 CG2 THR A 24 11.100 10.502 5.538 1.00 55.25 C ATOM 0 H THR A 24 11.526 8.230 2.186 1.00 30.03 H new ATOM 0 HA THR A 24 9.577 9.833 3.690 1.00 21.44 H new ATOM 0 HB THR A 24 11.893 11.359 3.750 1.00 53.32 H new ATOM 0 HG1 THR A 24 13.465 9.903 4.699 1.00 12.12 H new ATOM 0 HG21 THR A 24 11.882 10.913 6.177 1.00 55.25 H new ATOM 0 HG22 THR A 24 10.237 11.168 5.546 1.00 55.25 H new ATOM 0 HG23 THR A 24 10.806 9.521 5.911 1.00 55.25 H new ATOM 366 N VAL A 25 10.004 11.856 2.039 1.00 32.14 N ATOM 367 CA VAL A 25 9.896 12.756 0.898 1.00 41.52 C ATOM 368 C VAL A 25 11.269 13.068 0.312 1.00 12.34 C ATOM 369 O VAL A 25 11.445 13.093 -0.906 1.00 63.54 O ATOM 370 CB VAL A 25 9.204 14.076 1.287 1.00 5.35 C ATOM 371 CG1 VAL A 25 9.217 15.051 0.120 1.00 60.03 C ATOM 372 CG2 VAL A 25 7.782 13.813 1.758 1.00 51.32 C ATOM 0 H VAL A 25 9.685 12.255 2.922 1.00 32.14 H new ATOM 0 HA VAL A 25 9.292 12.245 0.148 1.00 41.52 H new ATOM 0 HB VAL A 25 9.757 14.527 2.111 1.00 5.35 H new ATOM 0 HG11 VAL A 25 8.724 15.977 0.414 1.00 60.03 H new ATOM 0 HG12 VAL A 25 10.247 15.263 -0.165 1.00 60.03 H new ATOM 0 HG13 VAL A 25 8.689 14.612 -0.727 1.00 60.03 H new ATOM 0 HG21 VAL A 25 7.308 14.756 2.029 1.00 51.32 H new ATOM 0 HG22 VAL A 25 7.215 13.339 0.957 1.00 51.32 H new ATOM 0 HG23 VAL A 25 7.802 13.155 2.627 1.00 51.32 H new ATOM 382 N LEU A 26 12.239 13.306 1.188 1.00 0.01 N ATOM 383 CA LEU A 26 13.598 13.616 0.759 1.00 43.13 C ATOM 384 C LEU A 26 14.199 12.455 -0.028 1.00 11.50 C ATOM 385 O LEU A 26 15.049 12.655 -0.896 1.00 30.21 O ATOM 386 CB LEU A 26 14.477 13.935 1.970 1.00 54.02 C ATOM 387 CG LEU A 26 15.351 12.791 2.485 1.00 52.12 C ATOM 388 CD1 LEU A 26 16.681 12.762 1.748 1.00 73.04 C ATOM 389 CD2 LEU A 26 15.573 12.923 3.984 1.00 11.14 C ATOM 0 H LEU A 26 12.110 13.290 2.200 1.00 0.01 H new ATOM 0 HA LEU A 26 13.556 14.489 0.108 1.00 43.13 H new ATOM 0 HB2 LEU A 26 15.125 14.773 1.713 1.00 54.02 H new ATOM 0 HB3 LEU A 26 13.833 14.268 2.784 1.00 54.02 H new ATOM 0 HG LEU A 26 14.834 11.850 2.296 1.00 52.12 H new ATOM 0 HD11 LEU A 26 17.290 11.941 2.128 1.00 73.04 H new ATOM 0 HD12 LEU A 26 16.503 12.619 0.682 1.00 73.04 H new ATOM 0 HD13 LEU A 26 17.205 13.705 1.905 1.00 73.04 H new ATOM 0 HD21 LEU A 26 16.197 12.100 4.333 1.00 11.14 H new ATOM 0 HD22 LEU A 26 16.069 13.870 4.196 1.00 11.14 H new ATOM 0 HD23 LEU A 26 14.612 12.893 4.498 1.00 11.14 H new ATOM 401 N ASP A 27 13.750 11.244 0.280 1.00 31.21 N ATOM 402 CA ASP A 27 14.240 10.051 -0.400 1.00 65.23 C ATOM 403 C ASP A 27 13.709 9.983 -1.829 1.00 22.34 C ATOM 404 O ASP A 27 14.381 9.478 -2.729 1.00 44.11 O ATOM 405 CB ASP A 27 13.832 8.794 0.370 1.00 55.23 C ATOM 406 CG ASP A 27 14.951 7.776 0.452 1.00 24.41 C ATOM 407 OD1 ASP A 27 15.483 7.392 -0.610 1.00 71.45 O ATOM 408 OD2 ASP A 27 15.296 7.362 1.579 1.00 32.32 O ATOM 0 H ASP A 27 13.047 11.062 0.996 1.00 31.21 H new ATOM 0 HA ASP A 27 15.328 10.106 -0.438 1.00 65.23 H new ATOM 0 HB2 ASP A 27 13.524 9.073 1.378 1.00 55.23 H new ATOM 0 HB3 ASP A 27 12.967 8.340 -0.113 1.00 55.23 H new ATOM 413 N LEU A 28 12.499 10.492 -2.029 1.00 51.41 N ATOM 414 CA LEU A 28 11.876 10.489 -3.348 1.00 61.22 C ATOM 415 C LEU A 28 12.404 11.637 -4.203 1.00 21.51 C ATOM 416 O LEU A 28 12.794 11.440 -5.354 1.00 24.31 O ATOM 417 CB LEU A 28 10.356 10.594 -3.216 1.00 73.53 C ATOM 418 CG LEU A 28 9.540 10.010 -4.370 1.00 61.44 C ATOM 419 CD1 LEU A 28 8.341 9.239 -3.840 1.00 60.13 C ATOM 420 CD2 LEU A 28 9.091 11.113 -5.318 1.00 31.33 C ATOM 0 H LEU A 28 11.929 10.912 -1.295 1.00 51.41 H new ATOM 0 HA LEU A 28 12.128 9.549 -3.839 1.00 61.22 H new ATOM 0 HB2 LEU A 28 10.056 10.093 -2.295 1.00 73.53 H new ATOM 0 HB3 LEU A 28 10.093 11.646 -3.107 1.00 73.53 H new ATOM 0 HG LEU A 28 10.174 9.318 -4.924 1.00 61.44 H new ATOM 0 HD11 LEU A 28 7.772 8.831 -4.676 1.00 60.13 H new ATOM 0 HD12 LEU A 28 8.685 8.424 -3.203 1.00 60.13 H new ATOM 0 HD13 LEU A 28 7.705 9.909 -3.261 1.00 60.13 H new ATOM 0 HD21 LEU A 28 8.512 10.679 -6.133 1.00 31.33 H new ATOM 0 HD22 LEU A 28 8.474 11.830 -4.776 1.00 31.33 H new ATOM 0 HD23 LEU A 28 9.965 11.621 -5.725 1.00 31.33 H new ATOM 432 N LYS A 29 12.415 12.836 -3.632 1.00 4.15 N ATOM 433 CA LYS A 29 12.899 14.016 -4.338 1.00 52.24 C ATOM 434 C LYS A 29 14.371 13.864 -4.708 1.00 12.20 C ATOM 435 O LYS A 29 14.741 13.977 -5.876 1.00 71.33 O ATOM 436 CB LYS A 29 12.705 15.267 -3.478 1.00 34.32 C ATOM 437 CG LYS A 29 11.404 16.000 -3.756 1.00 10.34 C ATOM 438 CD LYS A 29 10.280 15.499 -2.865 1.00 12.25 C ATOM 439 CE LYS A 29 9.444 14.438 -3.565 1.00 5.24 C ATOM 440 NZ LYS A 29 8.026 14.864 -3.723 1.00 23.03 N ATOM 0 H LYS A 29 12.094 13.017 -2.681 1.00 4.15 H new ATOM 0 HA LYS A 29 12.321 14.121 -5.256 1.00 52.24 H new ATOM 0 HB2 LYS A 29 12.735 14.983 -2.426 1.00 34.32 H new ATOM 0 HB3 LYS A 29 13.539 15.948 -3.648 1.00 34.32 H new ATOM 0 HG2 LYS A 29 11.547 17.069 -3.597 1.00 10.34 H new ATOM 0 HG3 LYS A 29 11.127 15.867 -4.802 1.00 10.34 H new ATOM 0 HD2 LYS A 29 10.698 15.087 -1.947 1.00 12.25 H new ATOM 0 HD3 LYS A 29 9.642 16.335 -2.577 1.00 12.25 H new ATOM 0 HE2 LYS A 29 9.871 14.227 -4.545 1.00 5.24 H new ATOM 0 HE3 LYS A 29 9.483 13.510 -2.994 1.00 5.24 H new ATOM 0 HZ1 LYS A 29 7.631 14.442 -4.588 1.00 23.03 H new ATOM 0 HZ2 LYS A 29 7.475 14.547 -2.900 1.00 23.03 H new ATOM 0 HZ3 LYS A 29 7.981 15.901 -3.792 1.00 23.03 H new ATOM 454 N GLN A 30 15.205 13.607 -3.705 1.00 75.24 N ATOM 455 CA GLN A 30 16.636 13.439 -3.927 1.00 31.43 C ATOM 456 C GLN A 30 16.904 12.315 -4.923 1.00 4.24 C ATOM 457 O GLN A 30 17.960 12.271 -5.554 1.00 25.51 O ATOM 458 CB GLN A 30 17.347 13.145 -2.605 1.00 32.25 C ATOM 459 CG GLN A 30 17.360 11.670 -2.236 1.00 2.25 C ATOM 460 CD GLN A 30 18.613 10.961 -2.710 1.00 4.31 C ATOM 461 OE1 GLN A 30 18.552 10.064 -3.551 1.00 4.10 O ATOM 462 NE2 GLN A 30 19.760 11.361 -2.172 1.00 13.12 N ATOM 0 H GLN A 30 14.914 13.511 -2.732 1.00 75.24 H new ATOM 0 HA GLN A 30 17.026 14.368 -4.342 1.00 31.43 H new ATOM 0 HB2 GLN A 30 18.374 13.505 -2.667 1.00 32.25 H new ATOM 0 HB3 GLN A 30 16.860 13.706 -1.807 1.00 32.25 H new ATOM 0 HG2 GLN A 30 17.278 11.569 -1.154 1.00 2.25 H new ATOM 0 HG3 GLN A 30 16.486 11.183 -2.669 1.00 2.25 H new ATOM 0 HE21 GLN A 30 19.765 12.108 -1.478 1.00 13.12 H new ATOM 0 HE22 GLN A 30 20.636 10.921 -2.453 1.00 13.12 H new ATOM 471 N PHE A 31 15.942 11.409 -5.058 1.00 61.22 N ATOM 472 CA PHE A 31 16.075 10.284 -5.977 1.00 23.15 C ATOM 473 C PHE A 31 15.822 10.724 -7.415 1.00 75.45 C ATOM 474 O PHE A 31 16.655 10.512 -8.298 1.00 33.23 O ATOM 475 CB PHE A 31 15.102 9.167 -5.593 1.00 51.34 C ATOM 476 CG PHE A 31 15.037 8.057 -6.602 1.00 74.53 C ATOM 477 CD1 PHE A 31 15.900 6.976 -6.520 1.00 2.14 C ATOM 478 CD2 PHE A 31 14.111 8.092 -7.633 1.00 4.50 C ATOM 479 CE1 PHE A 31 15.843 5.953 -7.447 1.00 54.22 C ATOM 480 CE2 PHE A 31 14.049 7.072 -8.563 1.00 52.14 C ATOM 481 CZ PHE A 31 14.915 6.001 -8.470 1.00 21.44 C ATOM 0 H PHE A 31 15.062 11.431 -4.543 1.00 61.22 H new ATOM 0 HA PHE A 31 17.095 9.907 -5.906 1.00 23.15 H new ATOM 0 HB2 PHE A 31 15.398 8.754 -4.629 1.00 51.34 H new ATOM 0 HB3 PHE A 31 14.106 9.591 -5.466 1.00 51.34 H new ATOM 0 HD1 PHE A 31 16.626 6.933 -5.722 1.00 2.14 H new ATOM 0 HD2 PHE A 31 13.430 8.927 -7.710 1.00 4.50 H new ATOM 0 HE1 PHE A 31 16.523 5.117 -7.372 1.00 54.22 H new ATOM 0 HE2 PHE A 31 13.324 7.113 -9.362 1.00 52.14 H new ATOM 0 HZ PHE A 31 14.867 5.202 -9.195 1.00 21.44 H new ATOM 491 N LEU A 32 14.665 11.336 -7.645 1.00 45.23 N ATOM 492 CA LEU A 32 14.300 11.806 -8.977 1.00 40.11 C ATOM 493 C LEU A 32 15.192 12.966 -9.409 1.00 74.10 C ATOM 494 O LEU A 32 15.632 13.031 -10.557 1.00 22.21 O ATOM 495 CB LEU A 32 12.833 12.239 -9.002 1.00 60.10 C ATOM 496 CG LEU A 32 12.400 13.207 -7.901 1.00 2.42 C ATOM 497 CD1 LEU A 32 12.510 14.646 -8.382 1.00 25.05 C ATOM 498 CD2 LEU A 32 10.980 12.901 -7.450 1.00 15.45 C ATOM 0 H LEU A 32 13.964 11.518 -6.927 1.00 45.23 H new ATOM 0 HA LEU A 32 14.442 10.983 -9.677 1.00 40.11 H new ATOM 0 HB2 LEU A 32 12.628 12.703 -9.967 1.00 60.10 H new ATOM 0 HB3 LEU A 32 12.210 11.347 -8.939 1.00 60.10 H new ATOM 0 HG LEU A 32 13.066 13.078 -7.048 1.00 2.42 H new ATOM 0 HD11 LEU A 32 12.198 15.321 -7.585 1.00 25.05 H new ATOM 0 HD12 LEU A 32 13.543 14.860 -8.655 1.00 25.05 H new ATOM 0 HD13 LEU A 32 11.868 14.789 -9.251 1.00 25.05 H new ATOM 0 HD21 LEU A 32 10.689 13.600 -6.666 1.00 15.45 H new ATOM 0 HD22 LEU A 32 10.300 13.001 -8.296 1.00 15.45 H new ATOM 0 HD23 LEU A 32 10.932 11.883 -7.064 1.00 15.45 H new ATOM 510 N LYS A 33 15.456 13.880 -8.481 1.00 73.42 N ATOM 511 CA LYS A 33 16.298 15.036 -8.763 1.00 52.04 C ATOM 512 C LYS A 33 17.653 14.601 -9.311 1.00 43.24 C ATOM 513 O LYS A 33 18.296 15.336 -10.062 1.00 63.22 O ATOM 514 CB LYS A 33 16.492 15.872 -7.497 1.00 4.34 C ATOM 515 CG LYS A 33 17.944 16.214 -7.210 1.00 44.15 C ATOM 516 CD LYS A 33 18.656 15.075 -6.500 1.00 70.35 C ATOM 517 CE LYS A 33 20.105 14.958 -6.948 1.00 30.42 C ATOM 518 NZ LYS A 33 21.044 15.523 -5.940 1.00 21.32 N ATOM 0 H LYS A 33 15.098 13.842 -7.526 1.00 73.42 H new ATOM 0 HA LYS A 33 15.798 15.643 -9.518 1.00 52.04 H new ATOM 0 HB2 LYS A 33 15.922 16.796 -7.591 1.00 4.34 H new ATOM 0 HB3 LYS A 33 16.081 15.329 -6.646 1.00 4.34 H new ATOM 0 HG2 LYS A 33 18.457 16.438 -8.145 1.00 44.15 H new ATOM 0 HG3 LYS A 33 17.992 17.113 -6.596 1.00 44.15 H new ATOM 0 HD2 LYS A 33 18.619 15.237 -5.423 1.00 70.35 H new ATOM 0 HD3 LYS A 33 18.136 14.138 -6.700 1.00 70.35 H new ATOM 0 HE2 LYS A 33 20.348 13.910 -7.123 1.00 30.42 H new ATOM 0 HE3 LYS A 33 20.235 15.478 -7.897 1.00 30.42 H new ATOM 0 HZ1 LYS A 33 21.948 15.754 -6.399 1.00 21.32 H new ATOM 0 HZ2 LYS A 33 20.634 16.386 -5.529 1.00 21.32 H new ATOM 0 HZ3 LYS A 33 21.207 14.824 -5.187 1.00 21.32 H new ATOM 532 N THR A 34 18.083 13.401 -8.932 1.00 53.45 N ATOM 533 CA THR A 34 19.361 12.869 -9.386 1.00 62.20 C ATOM 534 C THR A 34 19.254 12.312 -10.801 1.00 40.01 C ATOM 535 O THR A 34 20.250 12.218 -11.519 1.00 42.14 O ATOM 536 CB THR A 34 19.872 11.760 -8.447 1.00 64.55 C ATOM 537 OG1 THR A 34 21.280 11.911 -8.232 1.00 31.44 O ATOM 538 CG2 THR A 34 19.588 10.384 -9.031 1.00 25.41 C ATOM 0 H THR A 34 17.564 12.780 -8.312 1.00 53.45 H new ATOM 0 HA THR A 34 20.069 13.697 -9.378 1.00 62.20 H new ATOM 0 HB THR A 34 19.348 11.849 -7.496 1.00 64.55 H new ATOM 0 HG1 THR A 34 21.597 11.203 -7.633 1.00 31.44 H new ATOM 0 HG21 THR A 34 19.958 9.617 -8.351 1.00 25.41 H new ATOM 0 HG22 THR A 34 18.514 10.261 -9.167 1.00 25.41 H new ATOM 0 HG23 THR A 34 20.089 10.287 -9.994 1.00 25.41 H new ATOM 546 N LEU A 35 18.040 11.945 -11.197 1.00 24.52 N ATOM 547 CA LEU A 35 17.803 11.397 -12.528 1.00 13.20 C ATOM 548 C LEU A 35 17.804 12.502 -13.579 1.00 42.33 C ATOM 549 O LEU A 35 18.608 12.487 -14.512 1.00 63.50 O ATOM 550 CB LEU A 35 16.470 10.647 -12.562 1.00 50.10 C ATOM 551 CG LEU A 35 16.162 9.770 -11.348 1.00 64.30 C ATOM 552 CD1 LEU A 35 14.784 9.140 -11.480 1.00 2.43 C ATOM 553 CD2 LEU A 35 17.228 8.696 -11.183 1.00 34.44 C ATOM 0 H LEU A 35 17.205 12.017 -10.616 1.00 24.52 H new ATOM 0 HA LEU A 35 18.610 10.702 -12.757 1.00 13.20 H new ATOM 0 HB2 LEU A 35 15.668 11.377 -12.670 1.00 50.10 H new ATOM 0 HB3 LEU A 35 16.452 10.019 -13.453 1.00 50.10 H new ATOM 0 HG LEU A 35 16.167 10.399 -10.458 1.00 64.30 H new ATOM 0 HD11 LEU A 35 14.582 8.519 -10.607 1.00 2.43 H new ATOM 0 HD12 LEU A 35 14.030 9.924 -11.549 1.00 2.43 H new ATOM 0 HD13 LEU A 35 14.750 8.524 -12.379 1.00 2.43 H new ATOM 0 HD21 LEU A 35 16.993 8.081 -10.314 1.00 34.44 H new ATOM 0 HD22 LEU A 35 17.255 8.070 -12.075 1.00 34.44 H new ATOM 0 HD23 LEU A 35 18.201 9.167 -11.042 1.00 34.44 H new ATOM 565 N THR A 36 16.899 13.463 -13.422 1.00 3.43 N ATOM 566 CA THR A 36 16.797 14.577 -14.356 1.00 54.21 C ATOM 567 C THR A 36 16.640 15.902 -13.618 1.00 23.43 C ATOM 568 O THR A 36 17.038 16.953 -14.118 1.00 15.01 O ATOM 569 CB THR A 36 15.608 14.395 -15.318 1.00 54.43 C ATOM 570 OG1 THR A 36 15.464 15.557 -16.144 1.00 35.42 O ATOM 571 CG2 THR A 36 14.319 14.152 -14.547 1.00 3.42 C ATOM 0 H THR A 36 16.226 13.492 -12.656 1.00 3.43 H new ATOM 0 HA THR A 36 17.723 14.593 -14.931 1.00 54.21 H new ATOM 0 HB THR A 36 15.807 13.526 -15.945 1.00 54.43 H new ATOM 0 HG1 THR A 36 14.816 15.374 -16.856 1.00 35.42 H new ATOM 0 HG21 THR A 36 13.494 14.027 -15.248 1.00 3.42 H new ATOM 0 HG22 THR A 36 14.421 13.251 -13.942 1.00 3.42 H new ATOM 0 HG23 THR A 36 14.117 15.004 -13.898 1.00 3.42 H new ATOM 579 N GLY A 37 16.059 15.843 -12.423 1.00 51.22 N ATOM 580 CA GLY A 37 15.861 17.045 -11.635 1.00 1.51 C ATOM 581 C GLY A 37 17.169 17.697 -11.233 1.00 43.10 C ATOM 582 O GLY A 37 18.245 17.234 -11.614 1.00 13.13 O ATOM 0 H GLY A 37 15.722 14.984 -11.987 1.00 51.22 H new ATOM 0 HA2 GLY A 37 15.265 17.756 -12.207 1.00 1.51 H new ATOM 0 HA3 GLY A 37 15.291 16.799 -10.739 1.00 1.51 H new ATOM 586 N VAL A 38 17.079 18.776 -10.462 1.00 50.43 N ATOM 587 CA VAL A 38 18.265 19.494 -10.009 1.00 33.50 C ATOM 588 C VAL A 38 18.443 19.363 -8.501 1.00 34.15 C ATOM 589 O VAL A 38 17.478 19.456 -7.740 1.00 61.41 O ATOM 590 CB VAL A 38 18.193 20.987 -10.379 1.00 61.10 C ATOM 591 CG1 VAL A 38 16.798 21.535 -10.121 1.00 11.05 C ATOM 592 CG2 VAL A 38 19.237 21.778 -9.605 1.00 63.34 C ATOM 0 H VAL A 38 16.197 19.172 -10.138 1.00 50.43 H new ATOM 0 HA VAL A 38 19.120 19.044 -10.514 1.00 33.50 H new ATOM 0 HB VAL A 38 18.406 21.090 -11.443 1.00 61.10 H new ATOM 0 HG11 VAL A 38 16.767 22.591 -10.388 1.00 11.05 H new ATOM 0 HG12 VAL A 38 16.074 20.986 -10.724 1.00 11.05 H new ATOM 0 HG13 VAL A 38 16.552 21.421 -9.065 1.00 11.05 H new ATOM 0 HG21 VAL A 38 19.172 22.831 -9.879 1.00 63.34 H new ATOM 0 HG22 VAL A 38 19.057 21.669 -8.536 1.00 63.34 H new ATOM 0 HG23 VAL A 38 20.231 21.401 -9.846 1.00 63.34 H new ATOM 602 N LEU A 39 19.682 19.148 -8.073 1.00 71.31 N ATOM 603 CA LEU A 39 19.988 19.005 -6.654 1.00 33.21 C ATOM 604 C LEU A 39 19.457 20.194 -5.860 1.00 35.11 C ATOM 605 O LEU A 39 19.363 21.315 -6.361 1.00 65.40 O ATOM 606 CB LEU A 39 21.498 18.873 -6.448 1.00 52.22 C ATOM 607 CG LEU A 39 22.378 19.682 -7.402 1.00 61.51 C ATOM 608 CD1 LEU A 39 22.511 18.969 -8.739 1.00 54.12 C ATOM 609 CD2 LEU A 39 21.811 21.080 -7.595 1.00 10.41 C ATOM 0 H LEU A 39 20.491 19.069 -8.689 1.00 71.31 H new ATOM 0 HA LEU A 39 19.498 18.101 -6.291 1.00 33.21 H new ATOM 0 HB2 LEU A 39 21.733 19.172 -5.427 1.00 52.22 H new ATOM 0 HB3 LEU A 39 21.767 17.821 -6.541 1.00 52.22 H new ATOM 0 HG LEU A 39 23.371 19.773 -6.961 1.00 61.51 H new ATOM 0 HD11 LEU A 39 23.140 19.559 -9.405 1.00 54.12 H new ATOM 0 HD12 LEU A 39 22.964 17.989 -8.585 1.00 54.12 H new ATOM 0 HD13 LEU A 39 21.524 18.847 -9.186 1.00 54.12 H new ATOM 0 HD21 LEU A 39 22.450 21.641 -8.277 1.00 10.41 H new ATOM 0 HD22 LEU A 39 20.807 21.011 -8.013 1.00 10.41 H new ATOM 0 HD23 LEU A 39 21.769 21.592 -6.633 1.00 10.41 H new ATOM 621 N PRO A 40 19.101 19.947 -4.590 1.00 62.23 N ATOM 622 CA PRO A 40 18.576 20.985 -3.699 1.00 1.31 C ATOM 623 C PRO A 40 19.640 22.004 -3.306 1.00 2.41 C ATOM 624 O PRO A 40 19.322 23.127 -2.916 1.00 3.24 O ATOM 625 CB PRO A 40 18.111 20.197 -2.472 1.00 1.43 C ATOM 626 CG PRO A 40 18.940 18.960 -2.480 1.00 24.24 C ATOM 627 CD PRO A 40 19.185 18.635 -3.927 1.00 64.21 C ATOM 0 HA PRO A 40 17.786 21.568 -4.173 1.00 1.31 H new ATOM 0 HB2 PRO A 40 18.260 20.768 -1.555 1.00 1.43 H new ATOM 0 HB3 PRO A 40 17.048 19.962 -2.532 1.00 1.43 H new ATOM 0 HG2 PRO A 40 19.880 19.117 -1.951 1.00 24.24 H new ATOM 0 HG3 PRO A 40 18.424 18.141 -1.978 1.00 24.24 H new ATOM 0 HD2 PRO A 40 20.160 18.172 -4.075 1.00 64.21 H new ATOM 0 HD3 PRO A 40 18.440 17.940 -4.315 1.00 64.21 H new ATOM 635 N GLU A 41 20.904 21.605 -3.412 1.00 73.13 N ATOM 636 CA GLU A 41 22.014 22.485 -3.067 1.00 71.02 C ATOM 637 C GLU A 41 21.919 23.804 -3.828 1.00 45.24 C ATOM 638 O GLU A 41 22.222 24.868 -3.288 1.00 13.05 O ATOM 639 CB GLU A 41 23.349 21.802 -3.372 1.00 52.11 C ATOM 640 CG GLU A 41 24.560 22.658 -3.042 1.00 11.22 C ATOM 641 CD GLU A 41 24.532 23.185 -1.620 1.00 55.44 C ATOM 642 OE1 GLU A 41 24.565 22.362 -0.682 1.00 72.21 O ATOM 643 OE2 GLU A 41 24.476 24.421 -1.446 1.00 72.40 O ATOM 0 H GLU A 41 21.184 20.679 -3.734 1.00 73.13 H new ATOM 0 HA GLU A 41 21.958 22.697 -1.999 1.00 71.02 H new ATOM 0 HB2 GLU A 41 23.408 20.871 -2.808 1.00 52.11 H new ATOM 0 HB3 GLU A 41 23.379 21.537 -4.429 1.00 52.11 H new ATOM 0 HG2 GLU A 41 25.466 22.071 -3.190 1.00 11.22 H new ATOM 0 HG3 GLU A 41 24.607 23.497 -3.736 1.00 11.22 H new ATOM 650 N ARG A 42 21.499 23.726 -5.087 1.00 33.35 N ATOM 651 CA ARG A 42 21.366 24.912 -5.923 1.00 50.31 C ATOM 652 C ARG A 42 19.900 25.306 -6.079 1.00 41.33 C ATOM 653 O ARG A 42 19.560 26.489 -6.053 1.00 32.43 O ATOM 654 CB ARG A 42 21.988 24.665 -7.299 1.00 31.33 C ATOM 655 CG ARG A 42 23.472 24.987 -7.363 1.00 53.53 C ATOM 656 CD ARG A 42 24.322 23.763 -7.063 1.00 32.03 C ATOM 657 NE ARG A 42 25.679 24.124 -6.661 1.00 71.24 N ATOM 658 CZ ARG A 42 26.491 23.308 -5.998 1.00 74.13 C ATOM 659 NH1 ARG A 42 26.085 22.091 -5.664 1.00 75.21 N ATOM 660 NH2 ARG A 42 27.712 23.709 -5.668 1.00 72.24 N ATOM 0 H ARG A 42 21.245 22.853 -5.550 1.00 33.35 H new ATOM 0 HA ARG A 42 21.894 25.731 -5.435 1.00 50.31 H new ATOM 0 HB2 ARG A 42 21.839 23.621 -7.573 1.00 31.33 H new ATOM 0 HB3 ARG A 42 21.462 25.267 -8.040 1.00 31.33 H new ATOM 0 HG2 ARG A 42 23.720 25.369 -8.353 1.00 53.53 H new ATOM 0 HG3 ARG A 42 23.705 25.777 -6.649 1.00 53.53 H new ATOM 0 HD2 ARG A 42 23.852 23.181 -6.270 1.00 32.03 H new ATOM 0 HD3 ARG A 42 24.363 23.125 -7.946 1.00 32.03 H new ATOM 0 HE ARG A 42 26.022 25.054 -6.903 1.00 71.24 H new ATOM 0 HH11 ARG A 42 25.147 21.779 -5.916 1.00 75.21 H new ATOM 0 HH12 ARG A 42 26.711 21.466 -5.155 1.00 75.21 H new ATOM 0 HH21 ARG A 42 28.028 24.645 -5.923 1.00 72.24 H new ATOM 0 HH22 ARG A 42 28.335 23.082 -5.159 1.00 72.24 H new ATOM 674 N GLN A 43 19.038 24.308 -6.242 1.00 64.44 N ATOM 675 CA GLN A 43 17.610 24.551 -6.404 1.00 72.30 C ATOM 676 C GLN A 43 16.881 24.416 -5.071 1.00 75.24 C ATOM 677 O GLN A 43 17.364 23.758 -4.150 1.00 65.32 O ATOM 678 CB GLN A 43 17.018 23.577 -7.424 1.00 75.30 C ATOM 679 CG GLN A 43 16.559 22.262 -6.814 1.00 62.45 C ATOM 680 CD GLN A 43 15.249 22.392 -6.063 1.00 23.04 C ATOM 681 OE1 GLN A 43 14.277 23.055 -6.678 1.00 33.30 O flip ATOM 682 NE2 GLN A 43 15.113 21.903 -4.941 1.00 32.43 N flip ATOM 0 H GLN A 43 19.304 23.323 -6.265 1.00 64.44 H new ATOM 0 HA GLN A 43 17.479 25.570 -6.768 1.00 72.30 H new ATOM 0 HB2 GLN A 43 16.172 24.053 -7.920 1.00 75.30 H new ATOM 0 HB3 GLN A 43 17.763 23.371 -8.192 1.00 75.30 H new ATOM 0 HG2 GLN A 43 16.448 21.519 -7.604 1.00 62.45 H new ATOM 0 HG3 GLN A 43 17.328 21.893 -6.135 1.00 62.45 H new ATOM 0 HE21 GLN A 43 15.887 21.401 -4.506 1.00 32.43 H new ATOM 0 HE22 GLN A 43 14.226 22.000 -4.447 1.00 32.43 H new ATOM 691 N LYS A 44 15.713 25.044 -4.975 1.00 64.52 N ATOM 692 CA LYS A 44 14.915 24.994 -3.756 1.00 25.41 C ATOM 693 C LYS A 44 13.483 24.566 -4.060 1.00 23.31 C ATOM 694 O LYS A 44 12.899 24.982 -5.061 1.00 43.42 O ATOM 695 CB LYS A 44 14.915 26.360 -3.066 1.00 23.42 C ATOM 696 CG LYS A 44 14.345 27.475 -3.925 1.00 22.12 C ATOM 697 CD LYS A 44 12.838 27.586 -3.767 1.00 20.40 C ATOM 698 CE LYS A 44 12.407 29.025 -3.529 1.00 33.31 C ATOM 699 NZ LYS A 44 12.498 29.843 -4.769 1.00 40.54 N ATOM 0 H LYS A 44 15.298 25.594 -5.728 1.00 64.52 H new ATOM 0 HA LYS A 44 15.362 24.257 -3.089 1.00 25.41 H new ATOM 0 HB2 LYS A 44 14.338 26.292 -2.144 1.00 23.42 H new ATOM 0 HB3 LYS A 44 15.937 26.616 -2.785 1.00 23.42 H new ATOM 0 HG2 LYS A 44 14.811 28.421 -3.651 1.00 22.12 H new ATOM 0 HG3 LYS A 44 14.589 27.291 -4.971 1.00 22.12 H new ATOM 0 HD2 LYS A 44 12.348 27.202 -4.662 1.00 20.40 H new ATOM 0 HD3 LYS A 44 12.512 26.965 -2.933 1.00 20.40 H new ATOM 0 HE2 LYS A 44 11.382 29.041 -3.158 1.00 33.31 H new ATOM 0 HE3 LYS A 44 13.033 29.468 -2.755 1.00 33.31 H new ATOM 0 HZ1 LYS A 44 12.196 30.817 -4.565 1.00 40.54 H new ATOM 0 HZ2 LYS A 44 13.481 29.849 -5.109 1.00 40.54 H new ATOM 0 HZ3 LYS A 44 11.881 29.435 -5.500 1.00 40.54 H new ATOM 713 N LEU A 45 12.922 23.733 -3.190 1.00 2.31 N ATOM 714 CA LEU A 45 11.557 23.250 -3.365 1.00 12.14 C ATOM 715 C LEU A 45 10.554 24.393 -3.237 1.00 23.40 C ATOM 716 O LEU A 45 10.658 25.226 -2.336 1.00 33.24 O ATOM 717 CB LEU A 45 11.244 22.164 -2.334 1.00 75.11 C ATOM 718 CG LEU A 45 11.898 20.803 -2.573 1.00 44.01 C ATOM 719 CD1 LEU A 45 11.600 20.307 -3.979 1.00 64.24 C ATOM 720 CD2 LEU A 45 13.400 20.886 -2.342 1.00 21.22 C ATOM 0 H LEU A 45 13.391 23.378 -2.357 1.00 2.31 H new ATOM 0 HA LEU A 45 11.473 22.828 -4.366 1.00 12.14 H new ATOM 0 HB2 LEU A 45 11.550 22.524 -1.352 1.00 75.11 H new ATOM 0 HB3 LEU A 45 10.164 22.024 -2.300 1.00 75.11 H new ATOM 0 HG LEU A 45 11.480 20.090 -1.862 1.00 44.01 H new ATOM 0 HD11 LEU A 45 12.074 19.337 -4.131 1.00 64.24 H new ATOM 0 HD12 LEU A 45 10.522 20.209 -4.109 1.00 64.24 H new ATOM 0 HD13 LEU A 45 11.990 21.019 -4.706 1.00 64.24 H new ATOM 0 HD21 LEU A 45 13.850 19.908 -2.516 1.00 21.22 H new ATOM 0 HD22 LEU A 45 13.834 21.613 -3.029 1.00 21.22 H new ATOM 0 HD23 LEU A 45 13.594 21.196 -1.315 1.00 21.22 H new ATOM 732 N LEU A 46 9.583 24.425 -4.143 1.00 64.41 N ATOM 733 CA LEU A 46 8.560 25.464 -4.131 1.00 34.20 C ATOM 734 C LEU A 46 7.465 25.138 -3.120 1.00 74.34 C ATOM 735 O LEU A 46 7.268 25.864 -2.147 1.00 55.03 O ATOM 736 CB LEU A 46 7.951 25.624 -5.525 1.00 43.23 C ATOM 737 CG LEU A 46 8.851 26.270 -6.580 1.00 13.43 C ATOM 738 CD1 LEU A 46 9.790 25.239 -7.185 1.00 74.32 C ATOM 739 CD2 LEU A 46 8.012 26.932 -7.663 1.00 73.24 C ATOM 0 H LEU A 46 9.483 23.743 -4.895 1.00 64.41 H new ATOM 0 HA LEU A 46 9.033 26.401 -3.838 1.00 34.20 H new ATOM 0 HB2 LEU A 46 7.652 24.639 -5.885 1.00 43.23 H new ATOM 0 HB3 LEU A 46 7.043 26.220 -5.437 1.00 43.23 H new ATOM 0 HG LEU A 46 9.454 27.038 -6.095 1.00 13.43 H new ATOM 0 HD11 LEU A 46 10.422 25.717 -7.933 1.00 74.32 H new ATOM 0 HD12 LEU A 46 10.415 24.812 -6.401 1.00 74.32 H new ATOM 0 HD13 LEU A 46 9.207 24.447 -7.655 1.00 74.32 H new ATOM 0 HD21 LEU A 46 8.669 27.386 -8.405 1.00 73.24 H new ATOM 0 HD22 LEU A 46 7.383 26.183 -8.145 1.00 73.24 H new ATOM 0 HD23 LEU A 46 7.382 27.701 -7.216 1.00 73.24 H new ATOM 751 N GLY A 47 6.756 24.038 -3.358 1.00 13.03 N ATOM 752 CA GLY A 47 5.691 23.634 -2.459 1.00 32.45 C ATOM 753 C GLY A 47 6.116 22.523 -1.519 1.00 21.13 C ATOM 754 O GLY A 47 5.516 21.447 -1.505 1.00 65.04 O ATOM 0 H GLY A 47 6.900 23.420 -4.157 1.00 13.03 H new ATOM 0 HA2 GLY A 47 5.366 24.495 -1.875 1.00 32.45 H new ATOM 0 HA3 GLY A 47 4.832 23.303 -3.043 1.00 32.45 H new ATOM 758 N LEU A 48 7.154 22.782 -0.731 1.00 63.54 N ATOM 759 CA LEU A 48 7.661 21.794 0.216 1.00 40.34 C ATOM 760 C LEU A 48 6.587 21.410 1.229 1.00 44.33 C ATOM 761 O LEU A 48 6.692 20.385 1.902 1.00 75.54 O ATOM 762 CB LEU A 48 8.892 22.340 0.942 1.00 72.02 C ATOM 763 CG LEU A 48 8.674 23.604 1.774 1.00 23.03 C ATOM 764 CD1 LEU A 48 8.208 23.246 3.177 1.00 73.33 C ATOM 765 CD2 LEU A 48 9.950 24.432 1.830 1.00 52.01 C ATOM 0 H LEU A 48 7.661 23.667 -0.729 1.00 63.54 H new ATOM 0 HA LEU A 48 7.943 20.902 -0.343 1.00 40.34 H new ATOM 0 HB2 LEU A 48 9.278 21.560 1.598 1.00 72.02 H new ATOM 0 HB3 LEU A 48 9.665 22.545 0.201 1.00 72.02 H new ATOM 0 HG LEU A 48 7.897 24.201 1.296 1.00 23.03 H new ATOM 0 HD11 LEU A 48 8.058 24.158 3.754 1.00 73.33 H new ATOM 0 HD12 LEU A 48 7.269 22.695 3.119 1.00 73.33 H new ATOM 0 HD13 LEU A 48 8.962 22.628 3.664 1.00 73.33 H new ATOM 0 HD21 LEU A 48 9.777 25.328 2.426 1.00 52.01 H new ATOM 0 HD22 LEU A 48 10.747 23.843 2.284 1.00 52.01 H new ATOM 0 HD23 LEU A 48 10.242 24.719 0.820 1.00 52.01 H new ATOM 777 N LYS A 49 5.554 22.239 1.331 1.00 42.41 N ATOM 778 CA LYS A 49 4.458 21.986 2.259 1.00 43.32 C ATOM 779 C LYS A 49 3.161 21.709 1.506 1.00 11.20 C ATOM 780 O LYS A 49 2.901 22.300 0.458 1.00 44.23 O ATOM 781 CB LYS A 49 4.271 23.181 3.197 1.00 71.30 C ATOM 782 CG LYS A 49 4.867 24.472 2.664 1.00 52.21 C ATOM 783 CD LYS A 49 4.535 25.652 3.562 1.00 32.11 C ATOM 784 CE LYS A 49 4.474 26.952 2.775 1.00 72.01 C ATOM 785 NZ LYS A 49 5.824 27.396 2.331 1.00 23.42 N ATOM 0 H LYS A 49 5.453 23.093 0.782 1.00 42.41 H new ATOM 0 HA LYS A 49 4.710 21.105 2.849 1.00 43.32 H new ATOM 0 HB2 LYS A 49 3.206 23.329 3.375 1.00 71.30 H new ATOM 0 HB3 LYS A 49 4.727 22.951 4.160 1.00 71.30 H new ATOM 0 HG2 LYS A 49 5.949 24.368 2.583 1.00 52.21 H new ATOM 0 HG3 LYS A 49 4.489 24.661 1.659 1.00 52.21 H new ATOM 0 HD2 LYS A 49 3.578 25.478 4.054 1.00 32.11 H new ATOM 0 HD3 LYS A 49 5.286 25.736 4.347 1.00 32.11 H new ATOM 0 HE2 LYS A 49 3.831 26.820 1.905 1.00 72.01 H new ATOM 0 HE3 LYS A 49 4.021 27.729 3.391 1.00 72.01 H new ATOM 0 HZ1 LYS A 49 5.739 28.285 1.798 1.00 23.42 H new ATOM 0 HZ2 LYS A 49 6.431 27.547 3.162 1.00 23.42 H new ATOM 0 HZ3 LYS A 49 6.246 26.666 1.722 1.00 23.42 H new ATOM 799 N VAL A 50 2.348 20.808 2.048 1.00 23.32 N ATOM 800 CA VAL A 50 1.076 20.454 1.429 1.00 44.50 C ATOM 801 C VAL A 50 0.009 20.181 2.483 1.00 42.52 C ATOM 802 O VAL A 50 0.300 19.648 3.554 1.00 70.14 O ATOM 803 CB VAL A 50 1.217 19.216 0.524 1.00 5.02 C ATOM 804 CG1 VAL A 50 1.544 17.983 1.353 1.00 4.32 C ATOM 805 CG2 VAL A 50 -0.052 19.002 -0.287 1.00 25.01 C ATOM 0 H VAL A 50 2.548 20.309 2.915 1.00 23.32 H new ATOM 0 HA VAL A 50 0.772 21.306 0.821 1.00 44.50 H new ATOM 0 HB VAL A 50 2.040 19.386 -0.170 1.00 5.02 H new ATOM 0 HG11 VAL A 50 1.640 17.118 0.697 1.00 4.32 H new ATOM 0 HG12 VAL A 50 2.482 18.141 1.885 1.00 4.32 H new ATOM 0 HG13 VAL A 50 0.744 17.806 2.072 1.00 4.32 H new ATOM 0 HG21 VAL A 50 0.065 18.123 -0.921 1.00 25.01 H new ATOM 0 HG22 VAL A 50 -0.895 18.853 0.388 1.00 25.01 H new ATOM 0 HG23 VAL A 50 -0.237 19.877 -0.910 1.00 25.01 H new ATOM 815 N LYS A 51 -1.229 20.551 2.172 1.00 21.45 N ATOM 816 CA LYS A 51 -2.342 20.345 3.091 1.00 33.42 C ATOM 817 C LYS A 51 -2.049 20.972 4.450 1.00 15.12 C ATOM 818 O LYS A 51 -2.486 20.469 5.484 1.00 34.23 O ATOM 819 CB LYS A 51 -2.623 18.849 3.258 1.00 41.42 C ATOM 820 CG LYS A 51 -3.009 18.155 1.963 1.00 3.02 C ATOM 821 CD LYS A 51 -4.257 18.769 1.351 1.00 5.33 C ATOM 822 CE LYS A 51 -5.304 17.711 1.040 1.00 65.11 C ATOM 823 NZ LYS A 51 -6.668 18.296 0.929 1.00 13.43 N ATOM 0 H LYS A 51 -1.487 20.995 1.291 1.00 21.45 H new ATOM 0 HA LYS A 51 -3.223 20.829 2.669 1.00 33.42 H new ATOM 0 HB2 LYS A 51 -1.737 18.365 3.670 1.00 41.42 H new ATOM 0 HB3 LYS A 51 -3.425 18.717 3.984 1.00 41.42 H new ATOM 0 HG2 LYS A 51 -2.184 18.222 1.254 1.00 3.02 H new ATOM 0 HG3 LYS A 51 -3.180 17.096 2.154 1.00 3.02 H new ATOM 0 HD2 LYS A 51 -4.675 19.506 2.037 1.00 5.33 H new ATOM 0 HD3 LYS A 51 -3.992 19.300 0.437 1.00 5.33 H new ATOM 0 HE2 LYS A 51 -5.047 17.209 0.107 1.00 65.11 H new ATOM 0 HE3 LYS A 51 -5.297 16.952 1.822 1.00 65.11 H new ATOM 0 HZ1 LYS A 51 -7.353 17.543 0.716 1.00 13.43 H new ATOM 0 HZ2 LYS A 51 -6.924 18.753 1.827 1.00 13.43 H new ATOM 0 HZ3 LYS A 51 -6.682 19.002 0.165 1.00 13.43 H new ATOM 837 N GLY A 52 -1.308 22.076 4.440 1.00 21.23 N ATOM 838 CA GLY A 52 -0.971 22.754 5.678 1.00 11.40 C ATOM 839 C GLY A 52 0.224 22.133 6.373 1.00 1.22 C ATOM 840 O GLY A 52 0.777 22.711 7.309 1.00 20.34 O ATOM 0 H GLY A 52 -0.935 22.513 3.597 1.00 21.23 H new ATOM 0 HA2 GLY A 52 -0.761 23.803 5.469 1.00 11.40 H new ATOM 0 HA3 GLY A 52 -1.830 22.729 6.348 1.00 11.40 H new ATOM 844 N LYS A 53 0.624 20.951 5.916 1.00 11.41 N ATOM 845 CA LYS A 53 1.761 20.250 6.500 1.00 70.43 C ATOM 846 C LYS A 53 3.076 20.788 5.944 1.00 32.33 C ATOM 847 O LYS A 53 3.151 21.260 4.810 1.00 62.02 O ATOM 848 CB LYS A 53 1.655 18.748 6.225 1.00 65.11 C ATOM 849 CG LYS A 53 0.535 18.067 6.991 1.00 32.40 C ATOM 850 CD LYS A 53 0.764 18.135 8.492 1.00 75.43 C ATOM 851 CE LYS A 53 0.586 16.772 9.145 1.00 51.52 C ATOM 852 NZ LYS A 53 0.733 16.844 10.625 1.00 73.30 N ATOM 0 H LYS A 53 0.177 20.458 5.143 1.00 11.41 H new ATOM 0 HA LYS A 53 1.747 20.418 7.577 1.00 70.43 H new ATOM 0 HB2 LYS A 53 1.500 18.593 5.157 1.00 65.11 H new ATOM 0 HB3 LYS A 53 2.601 18.272 6.482 1.00 65.11 H new ATOM 0 HG2 LYS A 53 -0.415 18.541 6.745 1.00 32.40 H new ATOM 0 HG3 LYS A 53 0.462 17.025 6.680 1.00 32.40 H new ATOM 0 HD2 LYS A 53 1.769 18.507 8.691 1.00 75.43 H new ATOM 0 HD3 LYS A 53 0.067 18.846 8.936 1.00 75.43 H new ATOM 0 HE2 LYS A 53 -0.399 16.376 8.896 1.00 51.52 H new ATOM 0 HE3 LYS A 53 1.321 16.076 8.740 1.00 51.52 H new ATOM 0 HZ1 LYS A 53 0.605 15.896 11.033 1.00 73.30 H new ATOM 0 HZ2 LYS A 53 1.681 17.198 10.863 1.00 73.30 H new ATOM 0 HZ3 LYS A 53 0.015 17.488 11.014 1.00 73.30 H new ATOM 866 N PRO A 54 4.138 20.714 6.760 1.00 11.41 N ATOM 867 CA PRO A 54 5.470 21.188 6.370 1.00 35.43 C ATOM 868 C PRO A 54 6.107 20.308 5.301 1.00 62.25 C ATOM 869 O PRO A 54 6.861 20.790 4.455 1.00 32.34 O ATOM 870 CB PRO A 54 6.269 21.110 7.673 1.00 21.43 C ATOM 871 CG PRO A 54 5.579 20.064 8.479 1.00 20.32 C ATOM 872 CD PRO A 54 4.121 20.163 8.126 1.00 51.54 C ATOM 0 HA PRO A 54 5.437 22.186 5.934 1.00 35.43 H new ATOM 0 HB2 PRO A 54 7.309 20.843 7.484 1.00 21.43 H new ATOM 0 HB3 PRO A 54 6.276 22.069 8.191 1.00 21.43 H new ATOM 0 HG2 PRO A 54 5.970 19.073 8.248 1.00 20.32 H new ATOM 0 HG3 PRO A 54 5.734 20.228 9.545 1.00 20.32 H new ATOM 0 HD2 PRO A 54 3.632 19.189 8.161 1.00 51.54 H new ATOM 0 HD3 PRO A 54 3.584 20.814 8.815 1.00 51.54 H new ATOM 880 N ALA A 55 5.800 19.016 5.343 1.00 33.51 N ATOM 881 CA ALA A 55 6.341 18.069 4.376 1.00 41.24 C ATOM 882 C ALA A 55 7.781 18.416 4.015 1.00 44.41 C ATOM 883 O ALA A 55 8.164 18.378 2.846 1.00 0.41 O ATOM 884 CB ALA A 55 5.475 18.039 3.125 1.00 35.23 C ATOM 0 H ALA A 55 5.179 18.601 6.037 1.00 33.51 H new ATOM 0 HA ALA A 55 6.336 17.079 4.832 1.00 41.24 H new ATOM 0 HB1 ALA A 55 5.891 17.328 2.412 1.00 35.23 H new ATOM 0 HB2 ALA A 55 4.462 17.736 3.391 1.00 35.23 H new ATOM 0 HB3 ALA A 55 5.451 19.032 2.675 1.00 35.23 H new ATOM 890 N GLU A 56 8.575 18.755 5.026 1.00 12.24 N ATOM 891 CA GLU A 56 9.973 19.111 4.814 1.00 71.32 C ATOM 892 C GLU A 56 10.735 17.958 4.165 1.00 14.50 C ATOM 893 O GLU A 56 10.990 17.969 2.962 1.00 43.32 O ATOM 894 CB GLU A 56 10.633 19.490 6.141 1.00 63.11 C ATOM 895 CG GLU A 56 12.118 19.790 6.018 1.00 13.22 C ATOM 896 CD GLU A 56 12.447 21.239 6.322 1.00 71.12 C ATOM 897 OE1 GLU A 56 11.589 22.108 6.063 1.00 54.51 O ATOM 898 OE2 GLU A 56 13.562 21.503 6.818 1.00 50.24 O ATOM 0 H GLU A 56 8.274 18.791 6.000 1.00 12.24 H new ATOM 0 HA GLU A 56 10.005 19.969 4.143 1.00 71.32 H new ATOM 0 HB2 GLU A 56 10.127 20.364 6.552 1.00 63.11 H new ATOM 0 HB3 GLU A 56 10.493 18.676 6.852 1.00 63.11 H new ATOM 0 HG2 GLU A 56 12.673 19.145 6.699 1.00 13.22 H new ATOM 0 HG3 GLU A 56 12.451 19.550 5.008 1.00 13.22 H new ATOM 905 N ASN A 57 11.095 16.966 4.972 1.00 34.04 N ATOM 906 CA ASN A 57 11.828 15.806 4.478 1.00 2.41 C ATOM 907 C ASN A 57 11.632 14.606 5.398 1.00 33.44 C ATOM 908 O ASN A 57 11.501 13.472 4.937 1.00 23.30 O ATOM 909 CB ASN A 57 13.318 16.133 4.358 1.00 62.31 C ATOM 910 CG ASN A 57 13.769 17.161 5.377 1.00 12.13 C ATOM 911 OD1 ASN A 57 13.496 17.030 6.570 1.00 35.15 O ATOM 912 ND2 ASN A 57 14.463 18.192 4.910 1.00 1.21 N ATOM 0 H ASN A 57 10.891 16.942 5.971 1.00 34.04 H new ATOM 0 HA ASN A 57 11.437 15.553 3.493 1.00 2.41 H new ATOM 0 HB2 ASN A 57 13.899 15.220 4.486 1.00 62.31 H new ATOM 0 HB3 ASN A 57 13.526 16.505 3.355 1.00 62.31 H new ATOM 0 HD21 ASN A 57 14.793 18.916 5.548 1.00 1.21 H new ATOM 0 HD22 ASN A 57 14.666 18.260 3.913 1.00 1.21 H new ATOM 919 N ASP A 58 11.611 14.863 6.701 1.00 2.14 N ATOM 920 CA ASP A 58 11.429 13.804 7.687 1.00 11.23 C ATOM 921 C ASP A 58 10.047 13.172 7.556 1.00 32.33 C ATOM 922 O ASP A 58 9.760 12.147 8.176 1.00 41.14 O ATOM 923 CB ASP A 58 11.619 14.356 9.101 1.00 12.11 C ATOM 924 CG ASP A 58 11.376 13.308 10.169 1.00 30.02 C ATOM 925 OD1 ASP A 58 12.335 12.593 10.527 1.00 71.32 O ATOM 926 OD2 ASP A 58 10.227 13.202 10.647 1.00 52.31 O ATOM 0 H ASP A 58 11.718 15.796 7.099 1.00 2.14 H new ATOM 0 HA ASP A 58 12.180 13.036 7.502 1.00 11.23 H new ATOM 0 HB2 ASP A 58 12.632 14.746 9.203 1.00 12.11 H new ATOM 0 HB3 ASP A 58 10.938 15.193 9.256 1.00 12.11 H new ATOM 931 N VAL A 59 9.193 13.790 6.746 1.00 0.05 N ATOM 932 CA VAL A 59 7.841 13.288 6.534 1.00 72.11 C ATOM 933 C VAL A 59 7.835 12.124 5.550 1.00 63.43 C ATOM 934 O VAL A 59 8.627 12.088 4.608 1.00 45.21 O ATOM 935 CB VAL A 59 6.907 14.395 6.008 1.00 23.52 C ATOM 936 CG1 VAL A 59 5.461 13.925 6.023 1.00 73.31 C ATOM 937 CG2 VAL A 59 7.072 15.665 6.829 1.00 24.41 C ATOM 0 H VAL A 59 9.414 14.639 6.226 1.00 0.05 H new ATOM 0 HA VAL A 59 7.476 12.944 7.502 1.00 72.11 H new ATOM 0 HB VAL A 59 7.181 14.618 4.977 1.00 23.52 H new ATOM 0 HG11 VAL A 59 4.816 14.720 5.648 1.00 73.31 H new ATOM 0 HG12 VAL A 59 5.358 13.045 5.389 1.00 73.31 H new ATOM 0 HG13 VAL A 59 5.171 13.673 7.043 1.00 73.31 H new ATOM 0 HG21 VAL A 59 6.405 16.436 6.444 1.00 24.41 H new ATOM 0 HG22 VAL A 59 6.826 15.459 7.871 1.00 24.41 H new ATOM 0 HG23 VAL A 59 8.104 16.010 6.761 1.00 24.41 H new ATOM 947 N LYS A 60 6.936 11.171 5.774 1.00 42.35 N ATOM 948 CA LYS A 60 6.825 10.005 4.906 1.00 34.41 C ATOM 949 C LYS A 60 5.825 10.256 3.782 1.00 50.22 C ATOM 950 O LYS A 60 4.884 11.036 3.937 1.00 61.03 O ATOM 951 CB LYS A 60 6.398 8.779 5.717 1.00 10.24 C ATOM 952 CG LYS A 60 7.436 8.329 6.731 1.00 40.13 C ATOM 953 CD LYS A 60 7.221 6.883 7.145 1.00 15.11 C ATOM 954 CE LYS A 60 7.821 6.600 8.513 1.00 24.04 C ATOM 955 NZ LYS A 60 6.881 6.947 9.615 1.00 41.53 N ATOM 0 H LYS A 60 6.274 11.184 6.550 1.00 42.35 H new ATOM 0 HA LYS A 60 7.804 9.819 4.463 1.00 34.41 H new ATOM 0 HB2 LYS A 60 5.467 9.004 6.238 1.00 10.24 H new ATOM 0 HB3 LYS A 60 6.189 7.956 5.033 1.00 10.24 H new ATOM 0 HG2 LYS A 60 8.434 8.442 6.307 1.00 40.13 H new ATOM 0 HG3 LYS A 60 7.389 8.971 7.611 1.00 40.13 H new ATOM 0 HD2 LYS A 60 6.154 6.663 7.162 1.00 15.11 H new ATOM 0 HD3 LYS A 60 7.671 6.221 6.405 1.00 15.11 H new ATOM 0 HE2 LYS A 60 8.087 5.545 8.581 1.00 24.04 H new ATOM 0 HE3 LYS A 60 8.743 7.169 8.630 1.00 24.04 H new ATOM 0 HZ1 LYS A 60 7.328 6.739 10.531 1.00 41.53 H new ATOM 0 HZ2 LYS A 60 6.647 7.959 9.566 1.00 41.53 H new ATOM 0 HZ3 LYS A 60 6.011 6.385 9.519 1.00 41.53 H new ATOM 969 N LEU A 61 6.034 9.591 2.651 1.00 34.21 N ATOM 970 CA LEU A 61 5.149 9.741 1.501 1.00 44.24 C ATOM 971 C LEU A 61 3.689 9.581 1.911 1.00 2.14 C ATOM 972 O LEU A 61 2.838 10.390 1.544 1.00 60.31 O ATOM 973 CB LEU A 61 5.503 8.715 0.423 1.00 63.21 C ATOM 974 CG LEU A 61 6.992 8.553 0.114 1.00 71.44 C ATOM 975 CD1 LEU A 61 7.198 7.539 -1.001 1.00 41.25 C ATOM 976 CD2 LEU A 61 7.608 9.893 -0.261 1.00 20.24 C ATOM 0 H LEU A 61 6.808 8.943 2.506 1.00 34.21 H new ATOM 0 HA LEU A 61 5.285 10.745 1.098 1.00 44.24 H new ATOM 0 HB2 LEU A 61 5.108 7.746 0.728 1.00 63.21 H new ATOM 0 HB3 LEU A 61 4.989 8.993 -0.497 1.00 63.21 H new ATOM 0 HG LEU A 61 7.491 8.184 1.010 1.00 71.44 H new ATOM 0 HD11 LEU A 61 8.263 7.437 -1.207 1.00 41.25 H new ATOM 0 HD12 LEU A 61 6.793 6.574 -0.695 1.00 41.25 H new ATOM 0 HD13 LEU A 61 6.685 7.878 -1.901 1.00 41.25 H new ATOM 0 HD21 LEU A 61 8.668 9.758 -0.478 1.00 20.24 H new ATOM 0 HD22 LEU A 61 7.105 10.291 -1.143 1.00 20.24 H new ATOM 0 HD23 LEU A 61 7.493 10.591 0.568 1.00 20.24 H new ATOM 988 N GLY A 62 3.407 8.532 2.678 1.00 11.25 N ATOM 989 CA GLY A 62 2.049 8.286 3.129 1.00 44.34 C ATOM 990 C GLY A 62 1.649 9.186 4.281 1.00 55.34 C ATOM 991 O GLY A 62 0.474 9.261 4.639 1.00 54.12 O ATOM 0 H GLY A 62 4.094 7.848 2.995 1.00 11.25 H new ATOM 0 HA2 GLY A 62 1.360 8.437 2.298 1.00 44.34 H new ATOM 0 HA3 GLY A 62 1.954 7.244 3.436 1.00 44.34 H new ATOM 995 N ALA A 63 2.628 9.870 4.863 1.00 14.34 N ATOM 996 CA ALA A 63 2.371 10.770 5.981 1.00 33.33 C ATOM 997 C ALA A 63 1.811 12.103 5.496 1.00 24.21 C ATOM 998 O ALA A 63 1.016 12.742 6.186 1.00 72.02 O ATOM 999 CB ALA A 63 3.644 10.990 6.785 1.00 50.34 C ATOM 0 H ALA A 63 3.606 9.818 4.579 1.00 14.34 H new ATOM 0 HA ALA A 63 1.624 10.306 6.625 1.00 33.33 H new ATOM 0 HB1 ALA A 63 3.437 11.664 7.616 1.00 50.34 H new ATOM 0 HB2 ALA A 63 4.000 10.035 7.172 1.00 50.34 H new ATOM 0 HB3 ALA A 63 4.408 11.429 6.144 1.00 50.34 H new ATOM 1005 N LEU A 64 2.232 12.518 4.306 1.00 23.44 N ATOM 1006 CA LEU A 64 1.774 13.776 3.729 1.00 54.24 C ATOM 1007 C LEU A 64 0.365 13.633 3.160 1.00 4.24 C ATOM 1008 O LEU A 64 -0.367 14.614 3.033 1.00 14.54 O ATOM 1009 CB LEU A 64 2.735 14.236 2.631 1.00 15.40 C ATOM 1010 CG LEU A 64 4.196 13.820 2.800 1.00 30.24 C ATOM 1011 CD1 LEU A 64 4.698 13.115 1.550 1.00 45.22 C ATOM 1012 CD2 LEU A 64 5.062 15.030 3.117 1.00 3.04 C ATOM 0 H LEU A 64 2.890 12.001 3.722 1.00 23.44 H new ATOM 0 HA LEU A 64 1.752 14.524 4.521 1.00 54.24 H new ATOM 0 HB2 LEU A 64 2.376 13.850 1.677 1.00 15.40 H new ATOM 0 HB3 LEU A 64 2.692 15.324 2.571 1.00 15.40 H new ATOM 0 HG LEU A 64 4.261 13.123 3.636 1.00 30.24 H new ATOM 0 HD11 LEU A 64 5.740 12.826 1.689 1.00 45.22 H new ATOM 0 HD12 LEU A 64 4.096 12.225 1.368 1.00 45.22 H new ATOM 0 HD13 LEU A 64 4.619 13.788 0.696 1.00 45.22 H new ATOM 0 HD21 LEU A 64 6.099 14.715 3.234 1.00 3.04 H new ATOM 0 HD22 LEU A 64 4.992 15.751 2.303 1.00 3.04 H new ATOM 0 HD23 LEU A 64 4.717 15.492 4.042 1.00 3.04 H new ATOM 1024 N LYS A 65 -0.008 12.404 2.821 1.00 13.04 N ATOM 1025 CA LYS A 65 -1.330 12.130 2.270 1.00 40.31 C ATOM 1026 C LYS A 65 -1.515 12.830 0.927 1.00 2.02 C ATOM 1027 O LYS A 65 -2.601 13.320 0.615 1.00 0.34 O ATOM 1028 CB LYS A 65 -2.417 12.584 3.247 1.00 21.42 C ATOM 1029 CG LYS A 65 -2.182 12.122 4.675 1.00 0.00 C ATOM 1030 CD LYS A 65 -2.304 10.613 4.800 1.00 33.34 C ATOM 1031 CE LYS A 65 -1.882 10.132 6.180 1.00 25.11 C ATOM 1032 NZ LYS A 65 -3.039 10.030 7.111 1.00 54.11 N ATOM 0 H LYS A 65 0.587 11.581 2.918 1.00 13.04 H new ATOM 0 HA LYS A 65 -1.416 11.054 2.115 1.00 40.31 H new ATOM 0 HB2 LYS A 65 -2.477 13.672 3.231 1.00 21.42 H new ATOM 0 HB3 LYS A 65 -3.381 12.207 2.906 1.00 21.42 H new ATOM 0 HG2 LYS A 65 -1.191 12.436 5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.903 12.602 5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.334 10.313 4.608 1.00 33.34 H new ATOM 0 HD3 LYS A 65 -1.686 10.133 4.041 1.00 33.34 H new ATOM 0 HE2 LYS A 65 -1.399 9.159 6.093 1.00 25.11 H new ATOM 0 HE3 LYS A 65 -1.143 10.818 6.593 1.00 25.11 H new ATOM 0 HZ1 LYS A 65 -2.709 9.699 8.040 1.00 54.11 H new ATOM 0 HZ2 LYS A 65 -3.485 10.964 7.214 1.00 54.11 H new ATOM 0 HZ3 LYS A 65 -3.733 9.356 6.730 1.00 54.11 H new ATOM 1046 N LEU A 66 -0.449 12.872 0.135 1.00 20.15 N ATOM 1047 CA LEU A 66 -0.494 13.510 -1.175 1.00 52.44 C ATOM 1048 C LEU A 66 -0.895 12.510 -2.255 1.00 25.10 C ATOM 1049 O LEU A 66 -0.655 11.309 -2.124 1.00 0.41 O ATOM 1050 CB LEU A 66 0.865 14.125 -1.512 1.00 65.14 C ATOM 1051 CG LEU A 66 0.976 15.641 -1.347 1.00 43.04 C ATOM 1052 CD1 LEU A 66 2.400 16.104 -1.613 1.00 42.20 C ATOM 1053 CD2 LEU A 66 0.001 16.351 -2.275 1.00 12.13 C ATOM 0 H LEU A 66 0.457 12.471 0.378 1.00 20.15 H new ATOM 0 HA LEU A 66 -1.244 14.300 -1.141 1.00 52.44 H new ATOM 0 HB2 LEU A 66 1.620 13.655 -0.882 1.00 65.14 H new ATOM 0 HB3 LEU A 66 1.109 13.873 -2.544 1.00 65.14 H new ATOM 0 HG LEU A 66 0.719 15.895 -0.319 1.00 43.04 H new ATOM 0 HD11 LEU A 66 2.460 17.185 -1.491 1.00 42.20 H new ATOM 0 HD12 LEU A 66 3.077 15.621 -0.908 1.00 42.20 H new ATOM 0 HD13 LEU A 66 2.685 15.838 -2.631 1.00 42.20 H new ATOM 0 HD21 LEU A 66 0.094 17.429 -2.144 1.00 12.13 H new ATOM 0 HD22 LEU A 66 0.227 16.090 -3.309 1.00 12.13 H new ATOM 0 HD23 LEU A 66 -1.017 16.043 -2.038 1.00 12.13 H new ATOM 1065 N LYS A 67 -1.504 13.012 -3.323 1.00 41.54 N ATOM 1066 CA LYS A 67 -1.935 12.165 -4.429 1.00 22.45 C ATOM 1067 C LYS A 67 -0.734 11.603 -5.184 1.00 13.04 C ATOM 1068 O LYS A 67 0.381 12.117 -5.095 1.00 20.22 O ATOM 1069 CB LYS A 67 -2.829 12.955 -5.386 1.00 41.24 C ATOM 1070 CG LYS A 67 -4.313 12.792 -5.108 1.00 30.41 C ATOM 1071 CD LYS A 67 -4.985 14.132 -4.862 1.00 73.03 C ATOM 1072 CE LYS A 67 -4.607 14.705 -3.505 1.00 34.42 C ATOM 1073 NZ LYS A 67 -5.688 14.508 -2.499 1.00 71.44 N ATOM 0 H LYS A 67 -1.711 14.003 -3.447 1.00 41.54 H new ATOM 0 HA LYS A 67 -2.504 11.332 -4.015 1.00 22.45 H new ATOM 0 HB2 LYS A 67 -2.570 14.012 -5.322 1.00 41.24 H new ATOM 0 HB3 LYS A 67 -2.623 12.637 -6.408 1.00 41.24 H new ATOM 0 HG2 LYS A 67 -4.790 12.295 -5.953 1.00 30.41 H new ATOM 0 HG3 LYS A 67 -4.453 12.149 -4.239 1.00 30.41 H new ATOM 0 HD2 LYS A 67 -4.699 14.833 -5.646 1.00 73.03 H new ATOM 0 HD3 LYS A 67 -6.067 14.013 -4.919 1.00 73.03 H new ATOM 0 HE2 LYS A 67 -3.692 14.230 -3.152 1.00 34.42 H new ATOM 0 HE3 LYS A 67 -4.395 15.769 -3.606 1.00 34.42 H new ATOM 0 HZ1 LYS A 67 -5.392 14.912 -1.588 1.00 71.44 H new ATOM 0 HZ2 LYS A 67 -6.555 14.983 -2.823 1.00 71.44 H new ATOM 0 HZ3 LYS A 67 -5.873 13.491 -2.383 1.00 71.44 H new ATOM 1087 N PRO A 68 -0.966 10.524 -5.946 1.00 44.11 N ATOM 1088 CA PRO A 68 0.085 9.871 -6.733 1.00 53.01 C ATOM 1089 C PRO A 68 0.543 10.726 -7.910 1.00 24.42 C ATOM 1090 O PRO A 68 1.719 10.720 -8.271 1.00 42.25 O ATOM 1091 CB PRO A 68 -0.590 8.591 -7.233 1.00 14.32 C ATOM 1092 CG PRO A 68 -2.046 8.910 -7.244 1.00 4.11 C ATOM 1093 CD PRO A 68 -2.270 9.859 -6.099 1.00 74.12 C ATOM 0 HA PRO A 68 0.985 9.693 -6.144 1.00 53.01 H new ATOM 0 HB2 PRO A 68 -0.237 8.320 -8.228 1.00 14.32 H new ATOM 0 HB3 PRO A 68 -0.374 7.748 -6.577 1.00 14.32 H new ATOM 0 HG2 PRO A 68 -2.339 9.364 -8.191 1.00 4.11 H new ATOM 0 HG3 PRO A 68 -2.644 8.007 -7.125 1.00 4.11 H new ATOM 0 HD2 PRO A 68 -3.062 10.574 -6.319 1.00 74.12 H new ATOM 0 HD3 PRO A 68 -2.561 9.331 -5.191 1.00 74.12 H new ATOM 1101 N ASN A 69 -0.393 11.459 -8.503 1.00 3.31 N ATOM 1102 CA ASN A 69 -0.084 12.319 -9.639 1.00 43.44 C ATOM 1103 C ASN A 69 0.577 13.615 -9.178 1.00 32.25 C ATOM 1104 O ASN A 69 1.174 14.339 -9.974 1.00 51.44 O ATOM 1105 CB ASN A 69 -1.357 12.635 -10.427 1.00 44.53 C ATOM 1106 CG ASN A 69 -1.853 11.445 -11.225 1.00 14.20 C ATOM 1107 OD1 ASN A 69 -1.144 10.918 -12.082 1.00 2.31 O ATOM 1108 ND2 ASN A 69 -3.079 11.016 -10.946 1.00 3.01 N ATOM 0 H ASN A 69 -1.372 11.475 -8.216 1.00 3.31 H new ATOM 0 HA ASN A 69 0.614 11.787 -10.286 1.00 43.44 H new ATOM 0 HB2 ASN A 69 -2.137 12.957 -9.738 1.00 44.53 H new ATOM 0 HB3 ASN A 69 -1.165 13.468 -11.103 1.00 44.53 H new ATOM 0 HD21 ASN A 69 -3.468 10.219 -11.451 1.00 3.01 H new ATOM 0 HD22 ASN A 69 -3.632 11.483 -10.227 1.00 3.01 H new ATOM 1115 N THR A 70 0.466 13.901 -7.884 1.00 21.42 N ATOM 1116 CA THR A 70 1.051 15.108 -7.315 1.00 43.11 C ATOM 1117 C THR A 70 2.338 15.489 -8.039 1.00 13.21 C ATOM 1118 O THR A 70 3.282 14.702 -8.105 1.00 72.35 O ATOM 1119 CB THR A 70 1.352 14.933 -5.815 1.00 5.54 C ATOM 1120 OG1 THR A 70 0.130 14.792 -5.083 1.00 32.02 O ATOM 1121 CG2 THR A 70 2.136 16.122 -5.278 1.00 31.10 C ATOM 0 H THR A 70 -0.024 13.312 -7.211 1.00 21.42 H new ATOM 0 HA THR A 70 0.317 15.904 -7.440 1.00 43.11 H new ATOM 0 HB THR A 70 1.955 14.034 -5.691 1.00 5.54 H new ATOM 0 HG1 THR A 70 0.060 13.878 -4.737 1.00 32.02 H new ATOM 0 HG21 THR A 70 2.337 15.976 -4.217 1.00 31.10 H new ATOM 0 HG22 THR A 70 3.079 16.209 -5.817 1.00 31.10 H new ATOM 0 HG23 THR A 70 1.554 17.033 -5.415 1.00 31.10 H new ATOM 1129 N LYS A 71 2.369 16.702 -8.580 1.00 44.21 N ATOM 1130 CA LYS A 71 3.541 17.190 -9.298 1.00 60.10 C ATOM 1131 C LYS A 71 4.457 17.982 -8.370 1.00 70.24 C ATOM 1132 O LYS A 71 3.991 18.663 -7.456 1.00 62.14 O ATOM 1133 CB LYS A 71 3.114 18.065 -10.479 1.00 34.42 C ATOM 1134 CG LYS A 71 1.975 17.474 -11.292 1.00 40.24 C ATOM 1135 CD LYS A 71 0.652 18.150 -10.972 1.00 61.51 C ATOM 1136 CE LYS A 71 -0.256 18.202 -12.191 1.00 34.11 C ATOM 1137 NZ LYS A 71 -1.403 19.131 -11.989 1.00 24.12 N ATOM 0 H LYS A 71 1.596 17.366 -8.535 1.00 44.21 H new ATOM 0 HA LYS A 71 4.091 16.327 -9.673 1.00 60.10 H new ATOM 0 HB2 LYS A 71 2.813 19.044 -10.105 1.00 34.42 H new ATOM 0 HB3 LYS A 71 3.972 18.223 -11.132 1.00 34.42 H new ATOM 0 HG2 LYS A 71 2.192 17.581 -12.355 1.00 40.24 H new ATOM 0 HG3 LYS A 71 1.897 16.406 -11.089 1.00 40.24 H new ATOM 0 HD2 LYS A 71 0.152 17.611 -10.167 1.00 61.51 H new ATOM 0 HD3 LYS A 71 0.837 19.162 -10.611 1.00 61.51 H new ATOM 0 HE2 LYS A 71 0.320 18.520 -13.060 1.00 34.11 H new ATOM 0 HE3 LYS A 71 -0.632 17.202 -12.407 1.00 34.11 H new ATOM 0 HZ1 LYS A 71 -1.998 19.138 -12.842 1.00 24.12 H new ATOM 0 HZ2 LYS A 71 -1.968 18.814 -11.175 1.00 24.12 H new ATOM 0 HZ3 LYS A 71 -1.045 20.091 -11.808 1.00 24.12 H new ATOM 1151 N ILE A 72 5.760 17.889 -8.612 1.00 61.14 N ATOM 1152 CA ILE A 72 6.740 18.599 -7.800 1.00 20.01 C ATOM 1153 C ILE A 72 7.495 19.633 -8.628 1.00 51.20 C ATOM 1154 O ILE A 72 7.978 19.336 -9.720 1.00 24.11 O ATOM 1155 CB ILE A 72 7.753 17.629 -7.164 1.00 31.14 C ATOM 1156 CG1 ILE A 72 7.022 16.487 -6.454 1.00 41.11 C ATOM 1157 CG2 ILE A 72 8.658 18.371 -6.191 1.00 60.35 C ATOM 1158 CD1 ILE A 72 6.077 16.956 -5.370 1.00 25.14 C ATOM 0 H ILE A 72 6.161 17.329 -9.364 1.00 61.14 H new ATOM 0 HA ILE A 72 6.187 19.104 -7.009 1.00 20.01 H new ATOM 0 HB ILE A 72 8.372 17.204 -7.954 1.00 31.14 H new ATOM 0 HG12 ILE A 72 6.460 15.912 -7.191 1.00 41.11 H new ATOM 0 HG13 ILE A 72 7.758 15.812 -6.016 1.00 41.11 H new ATOM 0 HG21 ILE A 72 9.368 17.672 -5.750 1.00 60.35 H new ATOM 0 HG22 ILE A 72 9.201 19.153 -6.723 1.00 60.35 H new ATOM 0 HG23 ILE A 72 8.054 18.820 -5.403 1.00 60.35 H new ATOM 0 HD11 ILE A 72 5.594 16.094 -4.910 1.00 25.14 H new ATOM 0 HD12 ILE A 72 6.636 17.505 -4.613 1.00 25.14 H new ATOM 0 HD13 ILE A 72 5.319 17.607 -5.805 1.00 25.14 H new ATOM 1170 N MET A 73 7.593 20.849 -8.100 1.00 23.22 N ATOM 1171 CA MET A 73 8.293 21.927 -8.789 1.00 75.13 C ATOM 1172 C MET A 73 9.681 22.141 -8.195 1.00 41.44 C ATOM 1173 O MET A 73 9.871 22.037 -6.984 1.00 12.00 O ATOM 1174 CB MET A 73 7.484 23.223 -8.707 1.00 31.05 C ATOM 1175 CG MET A 73 6.215 23.202 -9.543 1.00 34.34 C ATOM 1176 SD MET A 73 5.076 24.532 -9.111 1.00 21.41 S ATOM 1177 CE MET A 73 4.380 23.900 -7.586 1.00 44.21 C ATOM 0 H MET A 73 7.197 21.112 -7.198 1.00 23.22 H new ATOM 0 HA MET A 73 8.406 21.643 -9.835 1.00 75.13 H new ATOM 0 HB2 MET A 73 7.220 23.412 -7.666 1.00 31.05 H new ATOM 0 HB3 MET A 73 8.110 24.054 -9.033 1.00 31.05 H new ATOM 0 HG2 MET A 73 6.478 23.283 -10.598 1.00 34.34 H new ATOM 0 HG3 MET A 73 5.714 22.243 -9.412 1.00 34.34 H new ATOM 0 HE1 MET A 73 3.502 24.487 -7.316 1.00 44.21 H new ATOM 0 HE2 MET A 73 4.092 22.858 -7.722 1.00 44.21 H new ATOM 0 HE3 MET A 73 5.122 23.971 -6.791 1.00 44.21 H new ATOM 1187 N MET A 74 10.648 22.441 -9.056 1.00 42.32 N ATOM 1188 CA MET A 74 12.019 22.671 -8.615 1.00 41.33 C ATOM 1189 C MET A 74 12.597 23.923 -9.267 1.00 42.24 C ATOM 1190 O MET A 74 12.701 24.005 -10.491 1.00 1.12 O ATOM 1191 CB MET A 74 12.894 21.460 -8.945 1.00 55.03 C ATOM 1192 CG MET A 74 12.365 20.155 -8.373 1.00 21.15 C ATOM 1193 SD MET A 74 12.897 18.715 -9.319 1.00 54.32 S ATOM 1194 CE MET A 74 13.547 17.674 -8.015 1.00 61.12 C ATOM 0 H MET A 74 10.508 22.530 -10.062 1.00 42.32 H new ATOM 0 HA MET A 74 12.007 22.818 -7.535 1.00 41.33 H new ATOM 0 HB2 MET A 74 12.976 21.366 -10.028 1.00 55.03 H new ATOM 0 HB3 MET A 74 13.900 21.634 -8.563 1.00 55.03 H new ATOM 0 HG2 MET A 74 12.702 20.052 -7.342 1.00 21.15 H new ATOM 0 HG3 MET A 74 11.276 20.188 -8.351 1.00 21.15 H new ATOM 0 HE1 MET A 74 14.043 16.808 -8.454 1.00 61.12 H new ATOM 0 HE2 MET A 74 14.264 18.240 -7.421 1.00 61.12 H new ATOM 0 HE3 MET A 74 12.730 17.339 -7.376 1.00 61.12 H new ATOM 1204 N MET A 75 12.971 24.896 -8.442 1.00 63.34 N ATOM 1205 CA MET A 75 13.540 26.143 -8.940 1.00 53.12 C ATOM 1206 C MET A 75 15.032 26.222 -8.632 1.00 75.21 C ATOM 1207 O MET A 75 15.441 26.151 -7.474 1.00 75.10 O ATOM 1208 CB MET A 75 12.816 27.341 -8.322 1.00 75.24 C ATOM 1209 CG MET A 75 11.373 27.481 -8.780 1.00 34.53 C ATOM 1210 SD MET A 75 11.140 28.842 -9.939 1.00 62.31 S ATOM 1211 CE MET A 75 10.529 30.120 -8.843 1.00 30.50 C ATOM 0 H MET A 75 12.890 24.845 -7.426 1.00 63.34 H new ATOM 0 HA MET A 75 13.409 26.166 -10.022 1.00 53.12 H new ATOM 0 HB2 MET A 75 12.837 27.247 -7.236 1.00 75.24 H new ATOM 0 HB3 MET A 75 13.359 28.252 -8.573 1.00 75.24 H new ATOM 0 HG2 MET A 75 11.053 26.551 -9.249 1.00 34.53 H new ATOM 0 HG3 MET A 75 10.734 27.636 -7.911 1.00 34.53 H new ATOM 0 HE1 MET A 75 10.337 31.028 -9.414 1.00 30.50 H new ATOM 0 HE2 MET A 75 9.604 29.785 -8.373 1.00 30.50 H new ATOM 0 HE3 MET A 75 11.273 30.326 -8.074 1.00 30.50 H new ATOM 1221 N GLY A 76 15.840 26.369 -9.677 1.00 64.42 N ATOM 1222 CA GLY A 76 17.278 26.454 -9.496 1.00 72.14 C ATOM 1223 C GLY A 76 18.040 26.203 -10.783 1.00 12.43 C ATOM 1224 O GLY A 76 17.503 26.382 -11.877 1.00 2.13 O ATOM 0 H GLY A 76 15.525 26.431 -10.645 1.00 64.42 H new ATOM 0 HA2 GLY A 76 17.535 27.441 -9.112 1.00 72.14 H new ATOM 0 HA3 GLY A 76 17.590 25.728 -8.745 1.00 72.14 H new ATOM 1228 N THR A 77 19.297 25.789 -10.653 1.00 55.43 N ATOM 1229 CA THR A 77 20.135 25.517 -11.814 1.00 33.10 C ATOM 1230 C THR A 77 20.870 24.190 -11.662 1.00 10.21 C ATOM 1231 O THR A 77 21.229 23.792 -10.554 1.00 2.44 O ATOM 1232 CB THR A 77 21.166 26.639 -12.039 1.00 15.35 C ATOM 1233 OG1 THR A 77 22.065 26.275 -13.091 1.00 61.24 O ATOM 1234 CG2 THR A 77 21.952 26.915 -10.766 1.00 34.44 C ATOM 0 H THR A 77 19.757 25.635 -9.755 1.00 55.43 H new ATOM 0 HA THR A 77 19.472 25.466 -12.677 1.00 33.10 H new ATOM 0 HB THR A 77 20.628 27.545 -12.319 1.00 15.35 H new ATOM 0 HG1 THR A 77 22.716 26.994 -13.228 1.00 61.24 H new ATOM 0 HG21 THR A 77 22.674 27.711 -10.949 1.00 34.44 H new ATOM 0 HG22 THR A 77 21.267 27.221 -9.975 1.00 34.44 H new ATOM 0 HG23 THR A 77 22.479 26.011 -10.460 1.00 34.44 H new ATOM 1242 N ARG A 78 21.091 23.510 -12.782 1.00 24.11 N ATOM 1243 CA ARG A 78 21.784 22.227 -12.772 1.00 50.13 C ATOM 1244 C ARG A 78 23.237 22.397 -12.337 1.00 74.30 C ATOM 1245 O ARG A 78 23.792 23.492 -12.411 1.00 65.14 O ATOM 1246 CB ARG A 78 21.728 21.583 -14.159 1.00 32.34 C ATOM 1247 CG ARG A 78 20.453 20.794 -14.412 1.00 44.15 C ATOM 1248 CD ARG A 78 19.491 21.563 -15.304 1.00 70.23 C ATOM 1249 NE ARG A 78 19.626 21.186 -16.709 1.00 23.43 N ATOM 1250 CZ ARG A 78 19.280 19.995 -17.187 1.00 3.54 C ATOM 1251 NH1 ARG A 78 18.781 19.072 -16.377 1.00 14.00 N ATOM 1252 NH2 ARG A 78 19.433 19.727 -18.477 1.00 45.30 N ATOM 0 H ARG A 78 20.801 23.826 -13.707 1.00 24.11 H new ATOM 0 HA ARG A 78 21.282 21.577 -12.056 1.00 50.13 H new ATOM 0 HB2 ARG A 78 21.820 22.362 -14.916 1.00 32.34 H new ATOM 0 HB3 ARG A 78 22.585 20.920 -14.278 1.00 32.34 H new ATOM 0 HG2 ARG A 78 20.700 19.840 -14.878 1.00 44.15 H new ATOM 0 HG3 ARG A 78 19.969 20.568 -13.462 1.00 44.15 H new ATOM 0 HD2 ARG A 78 18.468 21.380 -14.976 1.00 70.23 H new ATOM 0 HD3 ARG A 78 19.673 22.632 -15.197 1.00 70.23 H new ATOM 0 HE ARG A 78 20.007 21.874 -17.359 1.00 23.43 H new ATOM 0 HH11 ARG A 78 18.662 19.275 -15.385 1.00 14.00 H new ATOM 0 HH12 ARG A 78 18.516 18.159 -16.746 1.00 14.00 H new ATOM 0 HH21 ARG A 78 19.816 20.435 -19.103 1.00 45.30 H new ATOM 0 HH22 ARG A 78 19.167 18.813 -18.843 1.00 45.30 H new ATOM 1266 N GLU A 79 23.844 21.305 -11.882 1.00 42.15 N ATOM 1267 CA GLU A 79 25.231 21.334 -11.434 1.00 44.52 C ATOM 1268 C GLU A 79 26.188 21.229 -12.618 1.00 62.03 C ATOM 1269 O GLU A 79 25.760 21.126 -13.767 1.00 62.52 O ATOM 1270 CB GLU A 79 25.496 20.195 -10.448 1.00 0.25 C ATOM 1271 CG GLU A 79 25.394 20.615 -8.991 1.00 15.41 C ATOM 1272 CD GLU A 79 26.501 21.566 -8.579 1.00 14.23 C ATOM 1273 OE1 GLU A 79 26.415 22.762 -8.928 1.00 43.22 O ATOM 1274 OE2 GLU A 79 27.452 21.115 -7.907 1.00 72.25 O ATOM 0 H GLU A 79 23.397 20.391 -11.814 1.00 42.15 H new ATOM 0 HA GLU A 79 25.404 22.286 -10.933 1.00 44.52 H new ATOM 0 HB2 GLU A 79 24.785 19.390 -10.636 1.00 0.25 H new ATOM 0 HB3 GLU A 79 26.491 19.791 -10.632 1.00 0.25 H new ATOM 0 HG2 GLU A 79 24.429 21.092 -8.821 1.00 15.41 H new ATOM 0 HG3 GLU A 79 25.428 19.728 -8.358 1.00 15.41 H new ATOM 1281 N GLU A 80 27.485 21.257 -12.328 1.00 22.31 N ATOM 1282 CA GLU A 80 28.502 21.166 -13.369 1.00 25.33 C ATOM 1283 C GLU A 80 28.422 22.360 -14.314 1.00 54.55 C ATOM 1284 O GLU A 80 27.413 23.065 -14.357 1.00 71.21 O ATOM 1285 CB GLU A 80 28.341 19.865 -14.158 1.00 24.31 C ATOM 1286 CG GLU A 80 29.628 19.065 -14.283 1.00 15.42 C ATOM 1287 CD GLU A 80 30.190 19.081 -15.691 1.00 74.11 C ATOM 1288 OE1 GLU A 80 29.495 18.605 -16.613 1.00 53.51 O ATOM 1289 OE2 GLU A 80 31.325 19.569 -15.871 1.00 0.14 O ATOM 0 H GLU A 80 27.856 21.342 -11.382 1.00 22.31 H new ATOM 0 HA GLU A 80 29.480 21.172 -12.887 1.00 25.33 H new ATOM 0 HB2 GLU A 80 27.585 19.247 -13.673 1.00 24.31 H new ATOM 0 HB3 GLU A 80 27.970 20.099 -15.156 1.00 24.31 H new ATOM 0 HG2 GLU A 80 30.371 19.469 -13.595 1.00 15.42 H new ATOM 0 HG3 GLU A 80 29.441 18.034 -13.982 1.00 15.42 H new ATOM 1296 N SER A 81 29.492 22.583 -15.071 1.00 32.51 N ATOM 1297 CA SER A 81 29.545 23.694 -16.013 1.00 54.21 C ATOM 1298 C SER A 81 28.900 23.311 -17.342 1.00 4.10 C ATOM 1299 O SER A 81 28.657 22.128 -17.575 1.00 53.23 O ATOM 1300 CB SER A 81 30.994 24.128 -16.242 1.00 72.21 C ATOM 1301 OG SER A 81 31.853 23.575 -15.260 1.00 72.10 O ATOM 0 H SER A 81 30.334 22.008 -15.050 1.00 32.51 H new ATOM 0 HA SER A 81 28.987 24.527 -15.585 1.00 54.21 H new ATOM 0 HB2 SER A 81 31.319 23.812 -17.233 1.00 72.21 H new ATOM 0 HB3 SER A 81 31.060 25.216 -16.216 1.00 72.21 H new ATOM 0 HG SER A 81 32.773 23.866 -15.429 1.00 72.10 H new HETATM 1307 N NH2 A 90 28.642 24.309 -18.174 1.00 72.13 N TER 1309 NH2 A 90