USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 943 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 SER OG : rot 122:sc= 0.862 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= -0.629 USER MOD Set 2.1: A 105 TYR OH : rot 15:sc= -0.222 USER MOD Set 2.2: A 124 ASN : amide:sc= -2.27 K(o=-2.5,f=-8.2!) USER MOD Set 3.1: A 76 LYS NZ :NH3+ -109:sc= -1.24 (180deg=-3.85!) USER MOD Set 3.2: A 90 HIS : no HD1:sc= -0.641 K(o=-1.9,f=-1.4) USER MOD Set 4.1: A 31 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.31) USER MOD Set 4.2: A 46 SER OG : rot 180:sc= -0.0047 USER MOD Set 5.1: A 13 MET CE :methyl -117:sc= -3.8 (180deg=-7.15!) USER MOD Set 5.2: A 15 LYS NZ :NH3+ -114:sc= -0.459 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0779 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 33:sc= 0.325 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -142:sc= -0.354 (180deg=-1.83!) USER MOD Single : A 10 CYS SG : rot -95:sc= 0.34 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.38! K(o=-3.4!,f=-0.35) USER MOD Single : A 35 LYS NZ :NH3+ 137:sc= -0.9 (180deg=-3.78!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 115:sc= 0.972 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1.5) USER MOD Single : A 59 THR OG1 : rot -177:sc= 2.01 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 29:sc= 0.77 USER MOD Single : A 70 LYS NZ :NH3+ -124:sc= 0.726 (180deg=-0.0032) USER MOD Single : A 75 THR OG1 : rot 90:sc= 1.36 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 165:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.0071) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.7!) USER MOD Single : A 100 SER OG : rot 180:sc= -0.18 USER MOD Single : A 106 THR OG1 : rot -127:sc= 1.17 USER MOD Single : A 110 MET CE :methyl -167:sc= 0 (180deg=-0.25) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 34:sc= 0.00652 USER MOD Single : A 119 MET CE :methyl -167:sc= -1.6 (180deg=-1.76!) USER MOD Single : A 123 THR OG1 : rot 22:sc= 0.272 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.704 -15.179 16.642 1.00 74.13 N ATOM 2 CA GLY A 1 2.053 -14.923 17.913 1.00 34.14 C ATOM 3 C GLY A 1 1.874 -13.443 18.187 1.00 1.51 C ATOM 4 O GLY A 1 2.466 -12.592 17.522 1.00 72.31 O ATOM 0 H1 GLY A 1 2.043 -15.669 16.006 1.00 74.13 H new ATOM 0 H2 GLY A 1 2.993 -14.277 16.212 1.00 74.13 H new ATOM 0 H3 GLY A 1 3.543 -15.774 16.795 1.00 74.13 H new ATOM 0 HA2 GLY A 1 1.079 -15.411 17.923 1.00 34.14 H new ATOM 0 HA3 GLY A 1 2.641 -15.369 18.715 1.00 34.14 H new ATOM 8 N PRO A 2 1.042 -13.119 19.187 1.00 21.03 N ATOM 9 CA PRO A 2 0.768 -11.730 19.569 1.00 2.31 C ATOM 10 C PRO A 2 1.972 -11.061 20.224 1.00 61.30 C ATOM 11 O PRO A 2 2.176 -9.855 20.086 1.00 14.21 O ATOM 12 CB PRO A 2 -0.382 -11.858 20.571 1.00 23.42 C ATOM 13 CG PRO A 2 -0.244 -13.230 21.134 1.00 33.11 C ATOM 14 CD PRO A 2 0.303 -14.081 20.021 1.00 34.03 C ATOM 0 HA PRO A 2 0.532 -11.109 18.705 1.00 2.31 H new ATOM 0 HB2 PRO A 2 -0.312 -11.101 21.352 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -1.348 -11.725 20.084 1.00 23.42 H new ATOM 0 HG2 PRO A 2 0.426 -13.234 21.994 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -1.206 -13.609 21.478 1.00 33.11 H new ATOM 0 HD2 PRO A 2 0.955 -14.868 20.400 1.00 34.03 H new ATOM 0 HD3 PRO A 2 -0.494 -14.570 19.460 1.00 34.03 H new ATOM 22 N THR A 3 2.768 -11.851 20.936 1.00 23.42 N ATOM 23 CA THR A 3 3.951 -11.335 21.613 1.00 41.32 C ATOM 24 C THR A 3 5.111 -12.321 21.521 1.00 20.13 C ATOM 25 O THR A 3 4.973 -13.491 21.877 1.00 54.11 O ATOM 26 CB THR A 3 3.664 -11.035 23.096 1.00 33.42 C ATOM 27 OG1 THR A 3 3.264 -12.232 23.770 1.00 11.12 O ATOM 28 CG2 THR A 3 2.576 -9.981 23.233 1.00 11.31 C ATOM 0 H THR A 3 2.615 -12.852 21.059 1.00 23.42 H new ATOM 0 HA THR A 3 4.224 -10.408 21.109 1.00 41.32 H new ATOM 0 HB THR A 3 4.578 -10.652 23.550 1.00 33.42 H new ATOM 0 HG1 THR A 3 3.725 -13.000 23.374 1.00 11.12 H new ATOM 0 HG21 THR A 3 2.390 -9.785 24.289 1.00 11.31 H new ATOM 0 HG22 THR A 3 2.897 -9.061 22.744 1.00 11.31 H new ATOM 0 HG23 THR A 3 1.660 -10.340 22.764 1.00 11.31 H new ATOM 36 N GLY A 4 6.254 -11.841 21.042 1.00 1.33 N ATOM 37 CA GLY A 4 7.421 -12.693 20.913 1.00 1.34 C ATOM 38 C GLY A 4 8.691 -11.904 20.666 1.00 45.41 C ATOM 39 O GLY A 4 9.249 -11.939 19.568 1.00 60.11 O ATOM 0 H GLY A 4 6.393 -10.876 20.741 1.00 1.33 H new ATOM 0 HA2 GLY A 4 7.536 -13.286 21.820 1.00 1.34 H new ATOM 0 HA3 GLY A 4 7.267 -13.393 20.092 1.00 1.34 H new ATOM 43 N THR A 5 9.150 -11.188 21.688 1.00 12.54 N ATOM 44 CA THR A 5 10.360 -10.384 21.575 1.00 74.23 C ATOM 45 C THR A 5 11.529 -11.217 21.061 1.00 64.14 C ATOM 46 O THR A 5 11.625 -12.410 21.347 1.00 14.45 O ATOM 47 CB THR A 5 10.747 -9.759 22.929 1.00 71.41 C ATOM 48 OG1 THR A 5 12.059 -9.193 22.850 1.00 32.23 O ATOM 49 CG2 THR A 5 10.703 -10.799 24.038 1.00 53.45 C ATOM 0 H THR A 5 8.702 -11.149 22.603 1.00 12.54 H new ATOM 0 HA THR A 5 10.144 -9.588 20.863 1.00 74.23 H new ATOM 0 HB THR A 5 10.027 -8.974 23.161 1.00 71.41 H new ATOM 0 HG1 THR A 5 12.297 -8.796 23.714 1.00 32.23 H new ATOM 0 HG21 THR A 5 10.980 -10.334 24.984 1.00 53.45 H new ATOM 0 HG22 THR A 5 9.695 -11.206 24.115 1.00 53.45 H new ATOM 0 HG23 THR A 5 11.403 -11.603 23.811 1.00 53.45 H new ATOM 57 N GLY A 6 12.414 -10.582 20.302 1.00 24.13 N ATOM 58 CA GLY A 6 13.565 -11.280 19.760 1.00 71.40 C ATOM 59 C GLY A 6 13.198 -12.203 18.615 1.00 43.52 C ATOM 60 O GLY A 6 13.034 -13.408 18.808 1.00 52.21 O ATOM 0 H GLY A 6 12.355 -9.595 20.052 1.00 24.13 H new ATOM 0 HA2 GLY A 6 14.298 -10.551 19.414 1.00 71.40 H new ATOM 0 HA3 GLY A 6 14.040 -11.859 20.551 1.00 71.40 H new ATOM 64 N GLU A 7 13.065 -11.636 17.420 1.00 62.41 N ATOM 65 CA GLU A 7 12.711 -12.416 16.239 1.00 61.05 C ATOM 66 C GLU A 7 13.922 -12.611 15.333 1.00 62.33 C ATOM 67 O GLU A 7 14.681 -11.674 15.082 1.00 20.21 O ATOM 68 CB GLU A 7 11.586 -11.729 15.465 1.00 41.31 C ATOM 69 CG GLU A 7 12.021 -10.456 14.760 1.00 34.13 C ATOM 70 CD GLU A 7 10.848 -9.626 14.276 1.00 31.31 C ATOM 71 OE1 GLU A 7 10.117 -10.098 13.381 1.00 35.02 O1- ATOM 72 OE2 GLU A 7 10.662 -8.504 14.793 1.00 50.32 O ATOM 0 H GLU A 7 13.197 -10.640 17.244 1.00 62.41 H new ATOM 0 HA GLU A 7 12.367 -13.395 16.572 1.00 61.05 H new ATOM 0 HB2 GLU A 7 11.187 -12.425 14.727 1.00 41.31 H new ATOM 0 HB3 GLU A 7 10.774 -11.494 16.153 1.00 41.31 H new ATOM 0 HG2 GLU A 7 12.628 -9.858 15.440 1.00 34.13 H new ATOM 0 HG3 GLU A 7 12.654 -10.714 13.911 1.00 34.13 H new ATOM 79 N SER A 8 14.098 -13.835 14.844 1.00 11.13 N ATOM 80 CA SER A 8 15.219 -14.155 13.968 1.00 73.41 C ATOM 81 C SER A 8 14.935 -13.711 12.537 1.00 2.22 C ATOM 82 O SER A 8 14.561 -14.519 11.686 1.00 44.50 O ATOM 83 CB SER A 8 15.507 -15.657 14.001 1.00 62.10 C ATOM 84 OG SER A 8 16.844 -15.928 13.615 1.00 14.33 O ATOM 0 H SER A 8 13.478 -14.621 15.040 1.00 11.13 H new ATOM 0 HA SER A 8 16.095 -13.616 14.329 1.00 73.41 H new ATOM 0 HB2 SER A 8 15.330 -16.043 15.005 1.00 62.10 H new ATOM 0 HB3 SER A 8 14.820 -16.177 13.334 1.00 62.10 H new ATOM 0 HG SER A 8 17.004 -16.894 13.646 1.00 14.33 H new ATOM 90 N LYS A 9 15.114 -12.420 12.277 1.00 44.32 N ATOM 91 CA LYS A 9 14.879 -11.866 10.950 1.00 23.33 C ATOM 92 C LYS A 9 16.186 -11.736 10.174 1.00 33.34 C ATOM 93 O LYS A 9 17.179 -11.227 10.695 1.00 14.24 O ATOM 94 CB LYS A 9 14.199 -10.498 11.058 1.00 44.14 C ATOM 95 CG LYS A 9 13.973 -9.824 9.717 1.00 44.04 C ATOM 96 CD LYS A 9 13.064 -8.613 9.847 1.00 2.52 C ATOM 97 CE LYS A 9 13.754 -7.474 10.582 1.00 53.35 C ATOM 98 NZ LYS A 9 12.776 -6.537 11.198 1.00 32.34 N1+ ATOM 0 H LYS A 9 15.422 -11.737 12.970 1.00 44.32 H new ATOM 0 HA LYS A 9 14.223 -12.549 10.410 1.00 23.33 H new ATOM 0 HB2 LYS A 9 13.240 -10.617 11.561 1.00 44.14 H new ATOM 0 HB3 LYS A 9 14.809 -9.847 11.684 1.00 44.14 H new ATOM 0 HG2 LYS A 9 14.931 -9.517 9.297 1.00 44.04 H new ATOM 0 HG3 LYS A 9 13.533 -10.537 9.020 1.00 44.04 H new ATOM 0 HD2 LYS A 9 12.760 -8.277 8.856 1.00 2.52 H new ATOM 0 HD3 LYS A 9 12.156 -8.894 10.380 1.00 2.52 H new ATOM 0 HE2 LYS A 9 14.403 -7.882 11.357 1.00 53.35 H new ATOM 0 HE3 LYS A 9 14.392 -6.928 9.887 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 13.126 -5.562 11.109 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 11.861 -6.622 10.712 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 12.657 -6.772 12.204 1.00 32.34 H new ATOM 112 N CYS A 10 16.177 -12.196 8.928 1.00 72.52 N ATOM 113 CA CYS A 10 17.362 -12.131 8.081 1.00 50.34 C ATOM 114 C CYS A 10 17.297 -10.927 7.147 1.00 44.02 C ATOM 115 O CYS A 10 16.233 -10.361 6.897 1.00 44.02 O ATOM 116 CB CYS A 10 17.504 -13.417 7.265 1.00 33.40 C ATOM 117 SG CYS A 10 18.446 -14.718 8.095 1.00 22.45 S ATOM 0 H CYS A 10 15.362 -12.618 8.482 1.00 72.52 H new ATOM 0 HA CYS A 10 18.233 -12.021 8.727 1.00 50.34 H new ATOM 0 HB2 CYS A 10 16.510 -13.797 7.030 1.00 33.40 H new ATOM 0 HB3 CYS A 10 17.988 -13.181 6.317 1.00 33.40 H new ATOM 0 HG CYS A 10 19.687 -14.667 7.712 1.00 22.45 H new ATOM 123 N PRO A 11 18.463 -10.523 6.620 1.00 41.21 N ATOM 124 CA PRO A 11 18.565 -9.381 5.707 1.00 32.44 C ATOM 125 C PRO A 11 17.937 -9.668 4.347 1.00 33.11 C ATOM 126 O PRO A 11 17.391 -8.772 3.703 1.00 40.40 O ATOM 127 CB PRO A 11 20.075 -9.173 5.566 1.00 52.53 C ATOM 128 CG PRO A 11 20.670 -10.508 5.854 1.00 50.33 C ATOM 129 CD PRO A 11 19.771 -11.150 6.875 1.00 12.12 C ATOM 0 HA PRO A 11 18.034 -8.508 6.086 1.00 32.44 H new ATOM 0 HB2 PRO A 11 20.336 -8.831 4.564 1.00 52.53 H new ATOM 0 HB3 PRO A 11 20.438 -8.419 6.265 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.728 -11.113 4.949 1.00 50.33 H new ATOM 0 HG3 PRO A 11 21.686 -10.408 6.236 1.00 50.33 H new ATOM 0 HD2 PRO A 11 19.729 -12.232 6.750 1.00 12.12 H new ATOM 0 HD3 PRO A 11 20.117 -10.960 7.891 1.00 12.12 H new ATOM 137 N LEU A 12 18.018 -10.922 3.916 1.00 24.44 N ATOM 138 CA LEU A 12 17.458 -11.327 2.632 1.00 13.33 C ATOM 139 C LEU A 12 16.222 -12.200 2.830 1.00 62.23 C ATOM 140 O LEU A 12 16.236 -13.145 3.617 1.00 61.54 O ATOM 141 CB LEU A 12 18.505 -12.084 1.813 1.00 1.41 C ATOM 142 CG LEU A 12 18.237 -12.181 0.310 1.00 23.13 C ATOM 143 CD1 LEU A 12 18.423 -10.826 -0.354 1.00 43.24 C ATOM 144 CD2 LEU A 12 19.150 -13.218 -0.327 1.00 3.34 C ATOM 0 H LEU A 12 18.466 -11.676 4.437 1.00 24.44 H new ATOM 0 HA LEU A 12 17.163 -10.428 2.091 1.00 13.33 H new ATOM 0 HB2 LEU A 12 19.471 -11.601 1.960 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.590 -13.094 2.213 1.00 1.41 H new ATOM 0 HG LEU A 12 17.204 -12.495 0.164 1.00 23.13 H new ATOM 0 HD11 LEU A 12 18.228 -10.915 -1.423 1.00 43.24 H new ATOM 0 HD12 LEU A 12 17.729 -10.108 0.083 1.00 43.24 H new ATOM 0 HD13 LEU A 12 19.446 -10.482 -0.199 1.00 43.24 H new ATOM 0 HD21 LEU A 12 18.946 -13.274 -1.396 1.00 3.34 H new ATOM 0 HD22 LEU A 12 20.190 -12.932 -0.170 1.00 3.34 H new ATOM 0 HD23 LEU A 12 18.969 -14.191 0.129 1.00 3.34 H new ATOM 156 N MET A 13 15.155 -11.877 2.106 1.00 42.14 N ATOM 157 CA MET A 13 13.911 -12.632 2.199 1.00 33.41 C ATOM 158 C MET A 13 13.359 -12.944 0.811 1.00 40.04 C ATOM 159 O MET A 13 13.074 -12.037 0.029 1.00 53.03 O ATOM 160 CB MET A 13 12.875 -11.854 3.010 1.00 72.22 C ATOM 161 CG MET A 13 11.836 -12.739 3.681 1.00 31.44 C ATOM 162 SD MET A 13 10.338 -11.839 4.124 1.00 1.33 S ATOM 163 CE MET A 13 9.095 -12.816 3.282 1.00 15.23 C ATOM 0 H MET A 13 15.127 -11.098 1.449 1.00 42.14 H new ATOM 0 HA MET A 13 14.124 -13.573 2.706 1.00 33.41 H new ATOM 0 HB2 MET A 13 13.388 -11.269 3.773 1.00 72.22 H new ATOM 0 HB3 MET A 13 12.368 -11.147 2.353 1.00 72.22 H new ATOM 0 HG2 MET A 13 11.577 -13.560 3.012 1.00 31.44 H new ATOM 0 HG3 MET A 13 12.267 -13.183 4.578 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.604 -12.205 2.524 1.00 15.23 H new ATOM 0 HE2 MET A 13 9.568 -13.674 2.805 1.00 15.23 H new ATOM 0 HE3 MET A 13 8.355 -13.164 4.003 1.00 15.23 H new ATOM 173 N VAL A 14 13.211 -14.231 0.514 1.00 0.34 N ATOM 174 CA VAL A 14 12.692 -14.661 -0.779 1.00 54.11 C ATOM 175 C VAL A 14 11.275 -15.208 -0.648 1.00 75.31 C ATOM 176 O VAL A 14 11.059 -16.268 -0.060 1.00 44.51 O ATOM 177 CB VAL A 14 13.590 -15.739 -1.415 1.00 71.42 C ATOM 178 CG1 VAL A 14 13.094 -16.095 -2.808 1.00 65.25 C ATOM 179 CG2 VAL A 14 15.036 -15.269 -1.460 1.00 54.20 C ATOM 0 H VAL A 14 13.443 -14.993 1.151 1.00 0.34 H new ATOM 0 HA VAL A 14 12.681 -13.782 -1.423 1.00 54.11 H new ATOM 0 HB VAL A 14 13.542 -16.636 -0.798 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.741 -16.858 -3.241 1.00 65.25 H new ATOM 0 HG12 VAL A 14 12.075 -16.477 -2.745 1.00 65.25 H new ATOM 0 HG13 VAL A 14 13.110 -15.206 -3.438 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.656 -16.043 -1.912 1.00 54.20 H new ATOM 0 HG22 VAL A 14 15.104 -14.357 -2.053 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.386 -15.070 -0.447 1.00 54.20 H new ATOM 189 N LYS A 15 10.312 -14.480 -1.202 1.00 45.14 N ATOM 190 CA LYS A 15 8.914 -14.892 -1.150 1.00 34.42 C ATOM 191 C LYS A 15 8.502 -15.585 -2.444 1.00 3.44 C ATOM 192 O LYS A 15 8.526 -14.984 -3.518 1.00 33.44 O ATOM 193 CB LYS A 15 8.013 -13.680 -0.901 1.00 23.14 C ATOM 194 CG LYS A 15 6.622 -14.047 -0.413 1.00 20.51 C ATOM 195 CD LYS A 15 6.550 -14.064 1.105 1.00 21.44 C ATOM 196 CE LYS A 15 6.163 -12.701 1.660 1.00 61.00 C ATOM 197 NZ LYS A 15 5.967 -12.739 3.136 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.474 -13.601 -1.693 1.00 45.14 H new ATOM 0 HA LYS A 15 8.800 -15.598 -0.328 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.487 -13.030 -0.166 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.926 -13.107 -1.824 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.898 -13.333 -0.805 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.346 -15.027 -0.802 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.823 -14.809 1.428 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.515 -14.363 1.513 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.939 -11.975 1.415 1.00 61.00 H new ATOM 0 HE3 LYS A 15 5.245 -12.361 1.180 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.968 -12.556 3.358 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 6.236 -13.676 3.498 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 6.560 -12.011 3.584 1.00 31.20 H new ATOM 211 N VAL A 16 8.125 -16.855 -2.336 1.00 43.13 N ATOM 212 CA VAL A 16 7.705 -17.630 -3.497 1.00 14.13 C ATOM 213 C VAL A 16 6.188 -17.777 -3.541 1.00 22.53 C ATOM 214 O VAL A 16 5.610 -18.585 -2.813 1.00 43.30 O ATOM 215 CB VAL A 16 8.345 -19.032 -3.497 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.932 -19.806 -4.740 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.860 -18.925 -3.403 1.00 0.34 C ATOM 0 H VAL A 16 8.102 -17.369 -1.455 1.00 43.13 H new ATOM 0 HA VAL A 16 8.040 -17.085 -4.379 1.00 14.13 H new ATOM 0 HB VAL A 16 7.988 -19.577 -2.623 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.393 -20.794 -4.724 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.847 -19.912 -4.759 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.259 -19.268 -5.629 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.296 -19.924 -3.404 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.239 -18.363 -4.257 1.00 0.34 H new ATOM 0 HG23 VAL A 16 10.132 -18.412 -2.481 1.00 0.34 H new ATOM 227 N LEU A 17 5.549 -16.991 -4.401 1.00 52.23 N ATOM 228 CA LEU A 17 4.097 -17.033 -4.542 1.00 52.32 C ATOM 229 C LEU A 17 3.698 -17.580 -5.908 1.00 63.31 C ATOM 230 O LEU A 17 4.479 -17.531 -6.860 1.00 71.44 O ATOM 231 CB LEU A 17 3.506 -15.636 -4.346 1.00 44.04 C ATOM 232 CG LEU A 17 2.726 -15.413 -3.049 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.554 -14.605 -2.062 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.405 -14.715 -3.335 1.00 53.44 C ATOM 0 H LEU A 17 6.013 -16.317 -5.011 1.00 52.23 H new ATOM 0 HA LEU A 17 3.701 -17.699 -3.776 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.318 -14.911 -4.387 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.845 -15.422 -5.186 1.00 44.04 H new ATOM 0 HG LEU A 17 2.512 -16.385 -2.604 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.984 -14.456 -1.145 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.474 -15.142 -1.834 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.798 -13.637 -2.499 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.863 -14.564 -2.401 1.00 53.44 H new ATOM 0 HD22 LEU A 17 1.597 -13.749 -3.803 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.806 -15.330 -4.007 1.00 53.44 H new ATOM 246 N ASP A 18 2.479 -18.098 -6.000 1.00 52.03 N ATOM 247 CA ASP A 18 1.975 -18.651 -7.251 1.00 1.53 C ATOM 248 C ASP A 18 1.059 -17.655 -7.956 1.00 31.30 C ATOM 249 O ASP A 18 0.173 -17.066 -7.338 1.00 2.31 O ATOM 250 CB ASP A 18 1.222 -19.957 -6.990 1.00 21.40 C ATOM 251 CG ASP A 18 1.189 -20.859 -8.208 1.00 31.11 C ATOM 252 OD1 ASP A 18 1.257 -20.332 -9.338 1.00 53.44 O ATOM 253 OD2 ASP A 18 1.094 -22.091 -8.032 1.00 31.41 O1- ATOM 0 H ASP A 18 1.821 -18.147 -5.222 1.00 52.03 H new ATOM 0 HA ASP A 18 2.828 -18.855 -7.898 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.694 -20.486 -6.162 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.201 -19.729 -6.682 1.00 21.40 H new ATOM 258 N ALA A 19 1.282 -17.469 -9.253 1.00 54.11 N ATOM 259 CA ALA A 19 0.476 -16.545 -10.042 1.00 4.04 C ATOM 260 C ALA A 19 -0.802 -17.214 -10.536 1.00 72.45 C ATOM 261 O ALA A 19 -1.797 -16.545 -10.815 1.00 54.10 O ATOM 262 CB ALA A 19 1.283 -16.011 -11.216 1.00 64.31 C ATOM 0 H ALA A 19 2.014 -17.946 -9.780 1.00 54.11 H new ATOM 0 HA ALA A 19 0.193 -15.710 -9.401 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.669 -15.322 -11.796 1.00 64.31 H new ATOM 0 HB2 ALA A 19 2.163 -15.487 -10.844 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.596 -16.841 -11.850 1.00 64.31 H new ATOM 268 N VAL A 20 -0.767 -18.538 -10.644 1.00 1.32 N ATOM 269 CA VAL A 20 -1.923 -19.299 -11.105 1.00 4.11 C ATOM 270 C VAL A 20 -2.880 -19.594 -9.957 1.00 34.21 C ATOM 271 O VAL A 20 -4.096 -19.637 -10.144 1.00 24.34 O ATOM 272 CB VAL A 20 -1.496 -20.627 -11.759 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.714 -21.481 -12.075 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.678 -20.364 -13.014 1.00 1.33 C ATOM 0 H VAL A 20 0.049 -19.107 -10.419 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.431 -18.684 -11.848 1.00 4.11 H new ATOM 0 HB VAL A 20 -0.870 -21.175 -11.054 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.394 -22.415 -12.536 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.255 -21.698 -11.154 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.368 -20.943 -12.761 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.385 -21.313 -13.463 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.276 -19.795 -13.726 1.00 1.33 H new ATOM 0 HG23 VAL A 20 0.214 -19.795 -12.754 1.00 1.33 H new ATOM 284 N ARG A 21 -2.323 -19.797 -8.767 1.00 70.43 N ATOM 285 CA ARG A 21 -3.128 -20.089 -7.587 1.00 40.24 C ATOM 286 C ARG A 21 -3.322 -18.836 -6.737 1.00 25.13 C ATOM 287 O ARG A 21 -4.276 -18.739 -5.967 1.00 25.45 O ATOM 288 CB ARG A 21 -2.465 -21.187 -6.751 1.00 54.04 C ATOM 289 CG ARG A 21 -1.932 -22.345 -7.580 1.00 23.13 C ATOM 290 CD ARG A 21 -1.305 -23.415 -6.701 1.00 70.24 C ATOM 291 NE ARG A 21 -2.254 -23.951 -5.729 1.00 32.25 N ATOM 292 CZ ARG A 21 -3.274 -24.737 -6.055 1.00 13.33 C ATOM 293 NH1 ARG A 21 -3.475 -25.078 -7.320 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -4.094 -25.185 -5.113 1.00 42.11 N ATOM 0 H ARG A 21 -1.318 -19.765 -8.595 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.106 -20.435 -7.922 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.645 -20.752 -6.180 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.188 -21.569 -6.030 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.743 -22.781 -8.163 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.192 -21.976 -8.290 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.931 -24.225 -7.327 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.447 -22.996 -6.176 1.00 70.24 H new ATOM 0 HE ARG A 21 -2.127 -23.709 -4.746 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -2.845 -24.737 -8.046 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -4.259 -25.682 -7.567 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -3.941 -24.926 -4.138 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -4.877 -25.789 -5.363 1.00 42.11 H new ATOM 308 N GLY A 22 -2.409 -17.881 -6.884 1.00 14.01 N ATOM 309 CA GLY A 22 -2.498 -16.648 -6.123 1.00 71.33 C ATOM 310 C GLY A 22 -2.182 -16.848 -4.654 1.00 55.30 C ATOM 311 O GLY A 22 -2.598 -16.057 -3.809 1.00 35.44 O ATOM 0 H GLY A 22 -1.610 -17.939 -7.516 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -1.809 -15.915 -6.543 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.502 -16.235 -6.222 1.00 71.33 H new ATOM 315 N SER A 23 -1.444 -17.910 -4.349 1.00 52.31 N ATOM 316 CA SER A 23 -1.077 -18.216 -2.971 1.00 31.20 C ATOM 317 C SER A 23 0.387 -18.636 -2.879 1.00 73.43 C ATOM 318 O SER A 23 1.009 -19.031 -3.865 1.00 43.22 O ATOM 319 CB SER A 23 -1.973 -19.325 -2.416 1.00 51.44 C ATOM 320 OG SER A 23 -3.132 -18.785 -1.804 1.00 24.23 O ATOM 0 H SER A 23 -1.088 -18.573 -5.037 1.00 52.31 H new ATOM 0 HA SER A 23 -1.216 -17.314 -2.375 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.264 -19.999 -3.221 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.417 -19.917 -1.690 1.00 51.44 H new ATOM 0 HG SER A 23 -3.689 -19.514 -1.459 1.00 24.23 H new ATOM 326 N PRO A 24 0.952 -18.548 -1.666 1.00 13.40 N ATOM 327 CA PRO A 24 2.349 -18.914 -1.414 1.00 34.35 C ATOM 328 C PRO A 24 2.583 -20.417 -1.522 1.00 53.53 C ATOM 329 O PRO A 24 1.783 -21.215 -1.033 1.00 40.42 O ATOM 330 CB PRO A 24 2.588 -18.437 0.020 1.00 12.41 C ATOM 331 CG PRO A 24 1.238 -18.437 0.650 1.00 62.31 C ATOM 332 CD PRO A 24 0.270 -18.084 -0.446 1.00 53.31 C ATOM 0 HA PRO A 24 3.025 -18.468 -2.144 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.272 -19.101 0.549 1.00 12.41 H new ATOM 0 HB3 PRO A 24 3.033 -17.442 0.037 1.00 12.41 H new ATOM 0 HG2 PRO A 24 1.006 -19.413 1.076 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.187 -17.714 1.464 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.691 -18.581 -0.309 1.00 53.31 H new ATOM 0 HD3 PRO A 24 0.073 -17.012 -0.479 1.00 53.31 H new ATOM 340 N ALA A 25 3.683 -20.796 -2.164 1.00 24.51 N ATOM 341 CA ALA A 25 4.022 -22.204 -2.333 1.00 10.44 C ATOM 342 C ALA A 25 4.711 -22.755 -1.089 1.00 33.45 C ATOM 343 O ALA A 25 5.426 -22.034 -0.393 1.00 43.13 O ATOM 344 CB ALA A 25 4.908 -22.389 -3.556 1.00 61.41 C ATOM 0 H ALA A 25 4.355 -20.148 -2.576 1.00 24.51 H new ATOM 0 HA ALA A 25 3.097 -22.761 -2.480 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.154 -23.445 -3.671 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.380 -22.041 -4.444 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.826 -21.814 -3.431 1.00 61.41 H new ATOM 350 N ILE A 26 4.490 -24.037 -0.816 1.00 22.35 N ATOM 351 CA ILE A 26 5.091 -24.684 0.345 1.00 34.21 C ATOM 352 C ILE A 26 6.178 -25.666 -0.076 1.00 14.43 C ATOM 353 O ILE A 26 6.057 -26.341 -1.098 1.00 25.11 O ATOM 354 CB ILE A 26 4.035 -25.431 1.181 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.113 -24.434 1.887 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.710 -26.343 2.193 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.052 -25.092 2.740 1.00 11.52 C ATOM 0 H ILE A 26 3.900 -24.647 -1.382 1.00 22.35 H new ATOM 0 HA ILE A 26 5.533 -23.895 0.954 1.00 34.21 H new ATOM 0 HB ILE A 26 3.432 -26.045 0.513 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.715 -23.776 2.514 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.629 -23.807 1.139 1.00 3.20 H new ATOM 0 HG21 ILE A 26 3.951 -26.864 2.776 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.329 -27.072 1.670 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.334 -25.748 2.859 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.436 -24.325 3.210 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.426 -25.729 2.115 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.529 -25.697 3.511 1.00 11.52 H new ATOM 369 N ASN A 27 7.239 -25.743 0.720 1.00 12.42 N ATOM 370 CA ASN A 27 8.349 -26.644 0.431 1.00 73.32 C ATOM 371 C ASN A 27 8.965 -26.330 -0.928 1.00 13.34 C ATOM 372 O ASN A 27 9.146 -27.219 -1.760 1.00 65.22 O ATOM 373 CB ASN A 27 7.873 -28.098 0.464 1.00 73.52 C ATOM 374 CG ASN A 27 7.740 -28.631 1.878 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.019 -29.801 2.141 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.313 -27.772 2.796 1.00 31.42 N ATOM 0 H ASN A 27 7.354 -25.192 1.571 1.00 12.42 H new ATOM 0 HA ASN A 27 9.111 -26.500 1.197 1.00 73.32 H new ATOM 0 HB2 ASN A 27 6.911 -28.174 -0.042 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.575 -28.720 -0.091 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.205 -28.073 3.765 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.093 -26.811 2.533 1.00 31.42 H new ATOM 383 N VAL A 28 9.285 -25.059 -1.147 1.00 10.34 N ATOM 384 CA VAL A 28 9.883 -24.627 -2.404 1.00 3.15 C ATOM 385 C VAL A 28 11.405 -24.604 -2.310 1.00 50.12 C ATOM 386 O VAL A 28 11.991 -23.656 -1.787 1.00 52.30 O ATOM 387 CB VAL A 28 9.384 -23.228 -2.812 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.152 -22.718 -4.023 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.889 -23.257 -3.090 1.00 33.20 C ATOM 0 H VAL A 28 9.140 -24.310 -0.470 1.00 10.34 H new ATOM 0 HA VAL A 28 9.579 -25.348 -3.163 1.00 3.15 H new ATOM 0 HB VAL A 28 9.563 -22.541 -1.985 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.785 -21.729 -4.296 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.213 -22.658 -3.782 1.00 40.10 H new ATOM 0 HG13 VAL A 28 10.008 -23.402 -4.859 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.553 -22.261 -3.377 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.683 -23.957 -3.900 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.358 -23.575 -2.193 1.00 33.20 H new ATOM 399 N ALA A 29 12.040 -25.653 -2.821 1.00 21.11 N ATOM 400 CA ALA A 29 13.494 -25.753 -2.797 1.00 13.43 C ATOM 401 C ALA A 29 14.139 -24.521 -3.422 1.00 73.30 C ATOM 402 O ALA A 29 14.077 -24.323 -4.636 1.00 24.22 O ATOM 403 CB ALA A 29 13.949 -27.012 -3.519 1.00 1.22 C ATOM 0 H ALA A 29 11.570 -26.446 -3.257 1.00 21.11 H new ATOM 0 HA ALA A 29 13.812 -25.810 -1.756 1.00 13.43 H new ATOM 0 HB1 ALA A 29 15.037 -27.073 -3.493 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.524 -27.887 -3.027 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.612 -26.979 -4.555 1.00 1.22 H new ATOM 409 N VAL A 30 14.759 -23.694 -2.585 1.00 52.51 N ATOM 410 CA VAL A 30 15.415 -22.480 -3.056 1.00 62.05 C ATOM 411 C VAL A 30 16.896 -22.482 -2.695 1.00 64.44 C ATOM 412 O VAL A 30 17.284 -22.945 -1.621 1.00 3.33 O ATOM 413 CB VAL A 30 14.756 -21.220 -2.465 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.402 -19.964 -3.031 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.258 -21.226 -2.735 1.00 50.55 C ATOM 0 H VAL A 30 14.820 -23.843 -1.578 1.00 52.51 H new ATOM 0 HA VAL A 30 15.307 -22.462 -4.141 1.00 62.05 H new ATOM 0 HB VAL A 30 14.908 -21.224 -1.386 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.923 -19.084 -2.602 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.463 -19.957 -2.783 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.283 -19.950 -4.114 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.808 -20.328 -2.310 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.082 -21.246 -3.811 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.809 -22.108 -2.278 1.00 50.55 H new ATOM 425 N HIS A 31 17.720 -21.960 -3.597 1.00 4.33 N ATOM 426 CA HIS A 31 19.161 -21.901 -3.374 1.00 20.44 C ATOM 427 C HIS A 31 19.699 -20.502 -3.667 1.00 70.41 C ATOM 428 O HIS A 31 19.169 -19.788 -4.518 1.00 62.13 O ATOM 429 CB HIS A 31 19.878 -22.929 -4.249 1.00 42.03 C ATOM 430 CG HIS A 31 19.150 -24.233 -4.356 1.00 51.24 C ATOM 431 ND1 HIS A 31 18.980 -24.903 -5.550 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.550 -24.994 -3.411 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.303 -26.018 -5.334 1.00 63.14 C ATOM 434 NE2 HIS A 31 18.031 -26.097 -4.044 1.00 23.04 N ATOM 0 H HIS A 31 17.415 -21.572 -4.490 1.00 4.33 H new ATOM 0 HA HIS A 31 19.351 -22.133 -2.326 1.00 20.44 H new ATOM 0 HB2 HIS A 31 20.012 -22.514 -5.248 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.873 -23.110 -3.842 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.490 -24.775 -2.355 1.00 21.01 H new ATOM 0 HE1 HIS A 31 18.020 -26.741 -6.085 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.519 -26.854 -3.591 1.00 23.04 H new ATOM 442 N VAL A 32 20.753 -20.118 -2.955 1.00 33.14 N ATOM 443 CA VAL A 32 21.362 -18.807 -3.139 1.00 13.25 C ATOM 444 C VAL A 32 22.874 -18.920 -3.299 1.00 62.02 C ATOM 445 O VAL A 32 23.553 -19.525 -2.468 1.00 63.22 O ATOM 446 CB VAL A 32 21.051 -17.872 -1.955 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.462 -16.443 -2.279 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.575 -17.942 -1.594 1.00 30.45 C ATOM 0 H VAL A 32 21.203 -20.696 -2.245 1.00 33.14 H new ATOM 0 HA VAL A 32 20.934 -18.385 -4.048 1.00 13.25 H new ATOM 0 HB VAL A 32 21.629 -18.204 -1.092 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.234 -15.798 -1.431 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.532 -16.410 -2.483 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.914 -16.097 -3.155 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.373 -17.275 -0.756 1.00 30.45 H new ATOM 0 HG22 VAL A 32 18.976 -17.638 -2.452 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.317 -18.964 -1.315 1.00 30.45 H new ATOM 458 N PHE A 33 23.395 -18.334 -4.372 1.00 14.51 N ATOM 459 CA PHE A 33 24.829 -18.371 -4.641 1.00 10.33 C ATOM 460 C PHE A 33 25.388 -16.960 -4.796 1.00 51.44 C ATOM 461 O PHE A 33 24.649 -16.014 -5.071 1.00 61.13 O ATOM 462 CB PHE A 33 25.110 -19.185 -5.906 1.00 54.22 C ATOM 463 CG PHE A 33 24.718 -20.630 -5.787 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.385 -21.005 -5.822 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.684 -21.614 -5.642 1.00 63.43 C ATOM 466 CE1 PHE A 33 23.020 -22.334 -5.713 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.325 -22.944 -5.535 1.00 51.24 C ATOM 468 CZ PHE A 33 23.992 -23.304 -5.569 1.00 15.51 C ATOM 0 H PHE A 33 22.847 -17.829 -5.069 1.00 14.51 H new ATOM 0 HA PHE A 33 25.322 -18.848 -3.794 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.573 -18.739 -6.743 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.173 -19.123 -6.140 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.621 -20.250 -5.936 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.728 -21.338 -5.612 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.977 -22.613 -5.740 1.00 31.23 H new ATOM 0 HE2 PHE A 33 26.087 -23.702 -5.425 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.710 -24.343 -5.483 1.00 15.51 H new ATOM 478 N ARG A 34 26.699 -16.826 -4.619 1.00 32.15 N ATOM 479 CA ARG A 34 27.358 -15.532 -4.737 1.00 13.44 C ATOM 480 C ARG A 34 28.395 -15.550 -5.856 1.00 21.02 C ATOM 481 O ARG A 34 29.026 -16.574 -6.118 1.00 3.34 O ATOM 482 CB ARG A 34 28.026 -15.153 -3.414 1.00 72.25 C ATOM 483 CG ARG A 34 28.868 -13.890 -3.497 1.00 3.34 C ATOM 484 CD ARG A 34 29.239 -13.376 -2.114 1.00 53.42 C ATOM 485 NE ARG A 34 29.791 -12.026 -2.161 1.00 31.04 N ATOM 486 CZ ARG A 34 31.056 -11.760 -2.469 1.00 34.30 C ATOM 487 NH1 ARG A 34 31.894 -12.746 -2.755 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 31.483 -10.503 -2.491 1.00 2.43 N ATOM 0 H ARG A 34 27.325 -17.599 -4.393 1.00 32.15 H new ATOM 0 HA ARG A 34 26.600 -14.787 -4.980 1.00 13.44 H new ATOM 0 HB2 ARG A 34 27.257 -15.017 -2.654 1.00 72.25 H new ATOM 0 HB3 ARG A 34 28.657 -15.979 -3.085 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.775 -14.093 -4.066 1.00 3.34 H new ATOM 0 HG3 ARG A 34 28.318 -13.120 -4.037 1.00 3.34 H new ATOM 0 HD2 ARG A 34 28.356 -13.384 -1.476 1.00 53.42 H new ATOM 0 HD3 ARG A 34 29.966 -14.049 -1.660 1.00 53.42 H new ATOM 0 HE ARG A 34 29.172 -11.244 -1.946 1.00 31.04 H new ATOM 0 HH11 ARG A 34 31.569 -13.713 -2.739 1.00 44.53 H new ATOM 0 HH12 ARG A 34 32.864 -12.538 -2.991 1.00 44.53 H new ATOM 0 HH21 ARG A 34 30.840 -9.742 -2.272 1.00 2.43 H new ATOM 0 HH22 ARG A 34 32.454 -10.298 -2.727 1.00 2.43 H new ATOM 502 N LYS A 35 28.567 -14.409 -6.516 1.00 54.20 N ATOM 503 CA LYS A 35 29.527 -14.291 -7.606 1.00 73.31 C ATOM 504 C LYS A 35 30.945 -14.127 -7.067 1.00 71.34 C ATOM 505 O LYS A 35 31.291 -13.085 -6.512 1.00 63.22 O ATOM 506 CB LYS A 35 29.170 -13.104 -8.502 1.00 24.12 C ATOM 507 CG LYS A 35 30.273 -12.722 -9.474 1.00 14.42 C ATOM 508 CD LYS A 35 30.672 -13.895 -10.354 1.00 34.13 C ATOM 509 CE LYS A 35 29.685 -14.098 -11.494 1.00 42.22 C ATOM 510 NZ LYS A 35 29.740 -15.483 -12.036 1.00 53.31 N1+ ATOM 0 H LYS A 35 28.053 -13.552 -6.314 1.00 54.20 H new ATOM 0 HA LYS A 35 29.485 -15.207 -8.195 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.268 -13.343 -9.065 1.00 24.12 H new ATOM 0 HB3 LYS A 35 28.936 -12.244 -7.875 1.00 24.12 H new ATOM 0 HG2 LYS A 35 29.938 -11.895 -10.099 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.143 -12.370 -8.919 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.669 -13.724 -10.761 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.725 -14.802 -9.751 1.00 34.13 H new ATOM 0 HE2 LYS A 35 28.675 -13.886 -11.142 1.00 42.22 H new ATOM 0 HE3 LYS A 35 29.901 -13.387 -12.292 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.773 -15.831 -12.198 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 30.263 -15.484 -12.935 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.222 -16.104 -11.355 1.00 53.31 H new ATOM 524 N ALA A 36 31.761 -15.162 -7.236 1.00 33.44 N ATOM 525 CA ALA A 36 33.142 -15.130 -6.770 1.00 70.02 C ATOM 526 C ALA A 36 33.997 -14.222 -7.648 1.00 20.11 C ATOM 527 O ALA A 36 33.491 -13.569 -8.560 1.00 35.22 O ATOM 528 CB ALA A 36 33.721 -16.537 -6.741 1.00 3.22 C ATOM 0 H ALA A 36 31.490 -16.033 -7.692 1.00 33.44 H new ATOM 0 HA ALA A 36 33.149 -14.724 -5.758 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.753 -16.499 -6.391 1.00 3.22 H new ATOM 0 HB2 ALA A 36 33.132 -17.159 -6.067 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.694 -16.962 -7.744 1.00 3.22 H new ATOM 534 N ALA A 37 35.295 -14.185 -7.365 1.00 24.23 N ATOM 535 CA ALA A 37 36.220 -13.358 -8.130 1.00 41.33 C ATOM 536 C ALA A 37 36.680 -14.073 -9.395 1.00 62.24 C ATOM 537 O ALA A 37 37.412 -13.508 -10.209 1.00 15.13 O ATOM 538 CB ALA A 37 37.418 -12.975 -7.273 1.00 20.34 C ATOM 0 H ALA A 37 35.730 -14.718 -6.612 1.00 24.23 H new ATOM 0 HA ALA A 37 35.695 -12.451 -8.428 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.101 -12.358 -7.857 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.078 -12.416 -6.402 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.935 -13.877 -6.946 1.00 20.34 H new ATOM 544 N ASP A 38 36.247 -15.320 -9.555 1.00 62.14 N ATOM 545 CA ASP A 38 36.615 -16.113 -10.722 1.00 4.12 C ATOM 546 C ASP A 38 35.448 -16.212 -11.700 1.00 0.42 C ATOM 547 O ASP A 38 35.377 -17.141 -12.504 1.00 23.13 O ATOM 548 CB ASP A 38 37.059 -17.513 -10.294 1.00 0.10 C ATOM 549 CG ASP A 38 38.116 -18.091 -11.214 1.00 65.21 C ATOM 550 OD1 ASP A 38 39.197 -17.477 -11.336 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 37.863 -19.158 -11.811 1.00 5.41 O ATOM 0 H ASP A 38 35.641 -15.802 -8.891 1.00 62.14 H new ATOM 0 HA ASP A 38 37.445 -15.615 -11.223 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.449 -17.472 -9.277 1.00 0.10 H new ATOM 0 HB3 ASP A 38 36.194 -18.176 -10.277 1.00 0.10 H new ATOM 556 N ASP A 39 34.536 -15.251 -11.625 1.00 22.23 N ATOM 557 CA ASP A 39 33.372 -15.229 -12.503 1.00 13.11 C ATOM 558 C ASP A 39 32.538 -16.494 -12.330 1.00 31.25 C ATOM 559 O ASP A 39 31.940 -16.993 -13.285 1.00 44.13 O ATOM 560 CB ASP A 39 33.811 -15.088 -13.962 1.00 2.13 C ATOM 561 CG ASP A 39 34.515 -13.772 -14.229 1.00 55.52 C ATOM 562 OD1 ASP A 39 34.110 -12.751 -13.637 1.00 75.13 O1- ATOM 563 OD2 ASP A 39 35.472 -13.765 -15.033 1.00 22.43 O ATOM 0 H ASP A 39 34.580 -14.475 -10.964 1.00 22.23 H new ATOM 0 HA ASP A 39 32.758 -14.370 -12.231 1.00 13.11 H new ATOM 0 HB2 ASP A 39 34.477 -15.912 -14.220 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.939 -15.168 -14.611 1.00 2.13 H new ATOM 568 N THR A 40 32.502 -17.012 -11.106 1.00 30.11 N ATOM 569 CA THR A 40 31.744 -18.219 -10.808 1.00 25.33 C ATOM 570 C THR A 40 30.737 -17.975 -9.689 1.00 51.15 C ATOM 571 O THR A 40 30.782 -16.945 -9.016 1.00 63.30 O ATOM 572 CB THR A 40 32.672 -19.381 -10.404 1.00 62.55 C ATOM 573 OG1 THR A 40 33.365 -19.054 -9.194 1.00 73.04 O ATOM 574 CG2 THR A 40 33.677 -19.678 -11.506 1.00 33.22 C ATOM 0 H THR A 40 32.990 -16.613 -10.304 1.00 30.11 H new ATOM 0 HA THR A 40 31.211 -18.490 -11.720 1.00 25.33 H new ATOM 0 HB THR A 40 32.060 -20.269 -10.244 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.952 -19.797 -8.942 1.00 73.04 H new ATOM 0 HG21 THR A 40 34.321 -20.502 -11.198 1.00 33.22 H new ATOM 0 HG22 THR A 40 33.147 -19.953 -12.418 1.00 33.22 H new ATOM 0 HG23 THR A 40 34.284 -18.792 -11.693 1.00 33.22 H new ATOM 582 N TRP A 41 29.832 -18.927 -9.496 1.00 51.02 N ATOM 583 CA TRP A 41 28.815 -18.815 -8.457 1.00 63.44 C ATOM 584 C TRP A 41 29.069 -19.816 -7.335 1.00 42.43 C ATOM 585 O TRP A 41 28.999 -21.027 -7.545 1.00 72.23 O ATOM 586 CB TRP A 41 27.423 -19.038 -9.051 1.00 61.33 C ATOM 587 CG TRP A 41 27.097 -18.096 -10.170 1.00 74.13 C ATOM 588 CD1 TRP A 41 27.138 -18.367 -11.508 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.682 -16.731 -10.048 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.774 -17.253 -12.224 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.488 -16.237 -11.352 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.453 -15.880 -8.963 1.00 51.42 C ATOM 593 CZ2 TRP A 41 26.077 -14.929 -11.598 1.00 72.03 C ATOM 594 CZ3 TRP A 41 26.045 -14.583 -9.210 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.860 -14.117 -10.518 1.00 4.00 C ATOM 0 H TRP A 41 29.781 -19.785 -10.045 1.00 51.02 H new ATOM 0 HA TRP A 41 28.868 -17.810 -8.039 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.351 -20.063 -9.416 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.678 -18.927 -8.263 1.00 61.33 H new ATOM 0 HD1 TRP A 41 27.416 -19.317 -11.939 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.725 -17.192 -13.241 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.592 -16.230 -7.951 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.935 -14.568 -12.606 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 25.865 -13.916 -8.379 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.540 -13.098 -10.677 1.00 4.00 H new ATOM 606 N GLU A 42 29.364 -19.303 -6.145 1.00 14.31 N ATOM 607 CA GLU A 42 29.630 -20.154 -4.991 1.00 22.31 C ATOM 608 C GLU A 42 28.387 -20.289 -4.117 1.00 30.22 C ATOM 609 O GLU A 42 27.473 -19.465 -4.163 1.00 23.11 O ATOM 610 CB GLU A 42 30.788 -19.587 -4.167 1.00 42.11 C ATOM 611 CG GLU A 42 32.158 -19.999 -4.677 1.00 72.32 C ATOM 612 CD GLU A 42 33.128 -20.318 -3.556 1.00 0.20 C ATOM 613 OE1 GLU A 42 33.104 -21.464 -3.061 1.00 22.45 O ATOM 614 OE2 GLU A 42 33.909 -19.422 -3.174 1.00 22.10 O1- ATOM 0 H GLU A 42 29.425 -18.303 -5.955 1.00 14.31 H new ATOM 0 HA GLU A 42 29.905 -21.143 -5.357 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.723 -18.499 -4.165 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.681 -19.914 -3.133 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.054 -20.872 -5.321 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.569 -19.197 -5.290 1.00 72.32 H new ATOM 621 N PRO A 43 28.350 -21.353 -3.302 1.00 55.32 N ATOM 622 CA PRO A 43 27.224 -21.621 -2.402 1.00 0.45 C ATOM 623 C PRO A 43 27.145 -20.618 -1.257 1.00 61.23 C ATOM 624 O PRO A 43 28.077 -20.496 -0.460 1.00 55.41 O ATOM 625 CB PRO A 43 27.526 -23.023 -1.865 1.00 61.34 C ATOM 626 CG PRO A 43 29.005 -23.161 -1.977 1.00 40.42 C ATOM 627 CD PRO A 43 29.403 -22.376 -3.195 1.00 75.22 C ATOM 0 HA PRO A 43 26.265 -21.543 -2.914 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.195 -23.131 -0.832 1.00 61.34 H new ATOM 0 HB3 PRO A 43 27.012 -23.789 -2.446 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.501 -22.777 -1.086 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.293 -24.208 -2.076 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.389 -21.927 -3.079 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.443 -23.006 -4.084 1.00 75.22 H new ATOM 635 N PHE A 44 26.029 -19.902 -1.178 1.00 1.12 N ATOM 636 CA PHE A 44 25.829 -18.909 -0.130 1.00 62.35 C ATOM 637 C PHE A 44 24.837 -19.411 0.914 1.00 72.22 C ATOM 638 O PHE A 44 25.145 -19.467 2.104 1.00 41.04 O ATOM 639 CB PHE A 44 25.331 -17.593 -0.733 1.00 22.21 C ATOM 640 CG PHE A 44 25.102 -16.516 0.288 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.148 -16.046 1.066 1.00 54.50 C ATOM 642 CD2 PHE A 44 23.840 -15.972 0.470 1.00 44.44 C ATOM 643 CE1 PHE A 44 25.940 -15.053 2.005 1.00 13.33 C ATOM 644 CE2 PHE A 44 23.627 -14.980 1.408 1.00 23.30 C ATOM 645 CZ PHE A 44 24.677 -14.521 2.177 1.00 2.44 C ATOM 0 H PHE A 44 25.248 -19.991 -1.828 1.00 1.12 H new ATOM 0 HA PHE A 44 26.787 -18.737 0.360 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.057 -17.240 -1.465 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.401 -17.778 -1.270 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.137 -16.460 0.937 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.014 -16.328 -0.128 1.00 44.44 H new ATOM 0 HE1 PHE A 44 26.764 -14.694 2.603 1.00 13.33 H new ATOM 0 HE2 PHE A 44 22.639 -14.564 1.539 1.00 23.30 H new ATOM 0 HZ PHE A 44 24.511 -13.747 2.912 1.00 2.44 H new ATOM 655 N ALA A 45 23.642 -19.775 0.459 1.00 74.54 N ATOM 656 CA ALA A 45 22.604 -20.274 1.352 1.00 71.13 C ATOM 657 C ALA A 45 21.587 -21.121 0.593 1.00 63.11 C ATOM 658 O ALA A 45 21.662 -21.251 -0.629 1.00 0.42 O ATOM 659 CB ALA A 45 21.910 -19.117 2.054 1.00 14.12 C ATOM 0 H ALA A 45 23.369 -19.733 -0.523 1.00 74.54 H new ATOM 0 HA ALA A 45 23.079 -20.907 2.102 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.137 -19.505 2.718 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.640 -18.554 2.636 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.455 -18.461 1.312 1.00 14.12 H new ATOM 665 N SER A 46 20.638 -21.696 1.325 1.00 60.52 N ATOM 666 CA SER A 46 19.609 -22.533 0.721 1.00 52.32 C ATOM 667 C SER A 46 18.518 -22.869 1.734 1.00 40.50 C ATOM 668 O SER A 46 18.765 -22.910 2.939 1.00 65.02 O ATOM 669 CB SER A 46 20.227 -23.822 0.175 1.00 70.12 C ATOM 670 OG SER A 46 19.285 -24.882 0.182 1.00 13.53 O ATOM 0 H SER A 46 20.561 -21.597 2.337 1.00 60.52 H new ATOM 0 HA SER A 46 19.159 -21.977 -0.101 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.585 -23.656 -0.841 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.093 -24.097 0.777 1.00 70.12 H new ATOM 0 HG SER A 46 19.704 -25.694 -0.173 1.00 13.53 H new ATOM 676 N GLY A 47 17.309 -23.107 1.235 1.00 11.14 N ATOM 677 CA GLY A 47 16.197 -23.436 2.107 1.00 1.53 C ATOM 678 C GLY A 47 14.889 -23.570 1.354 1.00 63.12 C ATOM 679 O GLY A 47 14.840 -23.378 0.140 1.00 62.23 O ATOM 0 H GLY A 47 17.080 -23.078 0.242 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.411 -24.370 2.626 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.096 -22.663 2.869 1.00 1.53 H new ATOM 683 N LYS A 48 13.825 -23.904 2.076 1.00 51.41 N ATOM 684 CA LYS A 48 12.509 -24.067 1.470 1.00 3.33 C ATOM 685 C LYS A 48 11.509 -23.083 2.068 1.00 14.54 C ATOM 686 O LYS A 48 11.715 -22.560 3.165 1.00 53.10 O ATOM 687 CB LYS A 48 12.008 -25.500 1.662 1.00 54.50 C ATOM 688 CG LYS A 48 12.859 -26.542 0.958 1.00 35.21 C ATOM 689 CD LYS A 48 12.403 -27.953 1.291 1.00 13.00 C ATOM 690 CE LYS A 48 13.372 -28.993 0.751 1.00 55.05 C ATOM 691 NZ LYS A 48 13.015 -30.368 1.198 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.848 -24.067 3.083 1.00 51.41 H new ATOM 0 HA LYS A 48 12.601 -23.862 0.403 1.00 3.33 H new ATOM 0 HB2 LYS A 48 11.980 -25.726 2.728 1.00 54.50 H new ATOM 0 HB3 LYS A 48 10.984 -25.570 1.294 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.808 -26.387 -0.120 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.902 -26.418 1.249 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.315 -28.063 2.372 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.412 -28.125 0.871 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.376 -28.955 -0.338 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.383 -28.754 1.082 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.699 -31.048 0.809 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.036 -30.412 2.237 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.060 -30.606 0.861 1.00 60.34 H new ATOM 705 N THR A 49 10.423 -22.834 1.343 1.00 35.43 N ATOM 706 CA THR A 49 9.391 -21.913 1.802 1.00 51.31 C ATOM 707 C THR A 49 8.335 -22.638 2.630 1.00 3.20 C ATOM 708 O THR A 49 8.306 -23.868 2.676 1.00 55.41 O ATOM 709 CB THR A 49 8.702 -21.205 0.621 1.00 40.10 C ATOM 710 OG1 THR A 49 8.014 -22.163 -0.191 1.00 34.44 O ATOM 711 CG2 THR A 49 9.719 -20.453 -0.225 1.00 72.54 C ATOM 0 H THR A 49 10.235 -23.258 0.434 1.00 35.43 H new ATOM 0 HA THR A 49 9.888 -21.168 2.423 1.00 51.31 H new ATOM 0 HB THR A 49 7.985 -20.489 1.023 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.050 -21.993 -0.151 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.210 -19.960 -1.054 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.221 -19.705 0.389 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.456 -21.154 -0.617 1.00 72.54 H new ATOM 719 N SER A 50 7.470 -21.869 3.282 1.00 13.14 N ATOM 720 CA SER A 50 6.414 -22.439 4.110 1.00 23.01 C ATOM 721 C SER A 50 5.039 -21.991 3.623 1.00 61.40 C ATOM 722 O SER A 50 4.904 -21.449 2.526 1.00 4.13 O ATOM 723 CB SER A 50 6.606 -22.031 5.573 1.00 14.25 C ATOM 724 OG SER A 50 7.974 -22.086 5.941 1.00 22.21 O ATOM 0 H SER A 50 7.479 -20.849 3.253 1.00 13.14 H new ATOM 0 HA SER A 50 6.473 -23.525 4.032 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.225 -21.021 5.725 1.00 14.25 H new ATOM 0 HB3 SER A 50 6.026 -22.691 6.217 1.00 14.25 H new ATOM 0 HG SER A 50 8.071 -21.819 6.879 1.00 22.21 H new ATOM 730 N GLU A 51 4.022 -22.223 4.447 1.00 40.23 N ATOM 731 CA GLU A 51 2.657 -21.844 4.099 1.00 60.32 C ATOM 732 C GLU A 51 2.561 -20.346 3.827 1.00 42.55 C ATOM 733 O GLU A 51 1.621 -19.879 3.183 1.00 73.13 O ATOM 734 CB GLU A 51 1.694 -22.232 5.223 1.00 71.34 C ATOM 735 CG GLU A 51 2.199 -21.868 6.609 1.00 5.20 C ATOM 736 CD GLU A 51 1.176 -21.092 7.417 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.719 -20.034 6.935 1.00 51.42 O1- ATOM 738 OE2 GLU A 51 0.833 -21.542 8.530 1.00 12.23 O ATOM 0 H GLU A 51 4.117 -22.671 5.359 1.00 40.23 H new ATOM 0 HA GLU A 51 2.379 -22.379 3.191 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.735 -21.742 5.054 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.514 -23.306 5.181 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.465 -22.779 7.145 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.109 -21.275 6.516 1.00 5.20 H new ATOM 745 N SER A 52 3.540 -19.596 4.323 1.00 0.31 N ATOM 746 CA SER A 52 3.564 -18.150 4.138 1.00 24.21 C ATOM 747 C SER A 52 4.329 -17.777 2.871 1.00 24.50 C ATOM 748 O SER A 52 4.203 -16.664 2.361 1.00 12.24 O ATOM 749 CB SER A 52 4.201 -17.470 5.351 1.00 63.01 C ATOM 750 OG SER A 52 3.258 -17.301 6.395 1.00 15.33 O ATOM 0 H SER A 52 4.327 -19.966 4.856 1.00 0.31 H new ATOM 0 HA SER A 52 2.535 -17.804 4.035 1.00 24.21 H new ATOM 0 HB2 SER A 52 5.040 -18.068 5.708 1.00 63.01 H new ATOM 0 HB3 SER A 52 4.602 -16.500 5.059 1.00 63.01 H new ATOM 0 HG SER A 52 3.690 -16.866 7.159 1.00 15.33 H new ATOM 756 N GLY A 53 5.124 -18.717 2.369 1.00 45.14 N ATOM 757 CA GLY A 53 5.899 -18.470 1.167 1.00 60.22 C ATOM 758 C GLY A 53 7.220 -17.787 1.459 1.00 74.10 C ATOM 759 O GLY A 53 8.009 -17.532 0.550 1.00 12.51 O ATOM 0 H GLY A 53 5.245 -19.646 2.773 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.087 -19.416 0.659 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.317 -17.851 0.484 1.00 60.22 H new ATOM 763 N GLU A 54 7.461 -17.488 2.733 1.00 43.33 N ATOM 764 CA GLU A 54 8.697 -16.828 3.140 1.00 51.21 C ATOM 765 C GLU A 54 9.719 -17.847 3.634 1.00 32.34 C ATOM 766 O GLU A 54 9.361 -18.876 4.208 1.00 45.34 O ATOM 767 CB GLU A 54 8.412 -15.800 4.238 1.00 52.21 C ATOM 768 CG GLU A 54 7.999 -16.421 5.561 1.00 3.13 C ATOM 769 CD GLU A 54 7.283 -15.439 6.468 1.00 12.04 C ATOM 770 OE1 GLU A 54 6.600 -14.536 5.943 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 7.407 -15.575 7.703 1.00 3.21 O ATOM 0 H GLU A 54 6.819 -17.692 3.499 1.00 43.33 H new ATOM 0 HA GLU A 54 9.111 -16.316 2.271 1.00 51.21 H new ATOM 0 HB2 GLU A 54 9.303 -15.192 4.394 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.623 -15.129 3.899 1.00 52.21 H new ATOM 0 HG2 GLU A 54 7.348 -17.274 5.370 1.00 3.13 H new ATOM 0 HG3 GLU A 54 8.884 -16.802 6.071 1.00 3.13 H new ATOM 778 N LEU A 55 10.994 -17.553 3.406 1.00 2.41 N ATOM 779 CA LEU A 55 12.072 -18.442 3.828 1.00 22.44 C ATOM 780 C LEU A 55 13.168 -17.665 4.551 1.00 75.42 C ATOM 781 O LEU A 55 13.950 -16.948 3.926 1.00 42.00 O ATOM 782 CB LEU A 55 12.661 -19.171 2.618 1.00 1.43 C ATOM 783 CG LEU A 55 14.022 -19.834 2.832 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.951 -20.844 3.966 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.495 -20.502 1.549 1.00 12.22 C ATOM 0 H LEU A 55 11.307 -16.706 2.931 1.00 2.41 H new ATOM 0 HA LEU A 55 11.656 -19.175 4.519 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.953 -19.936 2.299 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.751 -18.459 1.798 1.00 1.43 H new ATOM 0 HG LEU A 55 14.743 -19.063 3.105 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.929 -21.306 4.104 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.656 -20.339 4.885 1.00 65.40 H new ATOM 0 HD13 LEU A 55 13.218 -21.613 3.723 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.465 -20.969 1.718 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.774 -21.262 1.247 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.585 -19.754 0.761 1.00 12.22 H new ATOM 797 N HIS A 56 13.220 -17.816 5.871 1.00 62.22 N ATOM 798 CA HIS A 56 14.223 -17.130 6.679 1.00 52.21 C ATOM 799 C HIS A 56 15.247 -18.120 7.227 1.00 65.14 C ATOM 800 O HIS A 56 15.058 -19.332 7.145 1.00 61.43 O ATOM 801 CB HIS A 56 13.553 -16.381 7.832 1.00 44.24 C ATOM 802 CG HIS A 56 12.601 -15.317 7.380 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.757 -13.984 7.694 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.474 -15.397 6.634 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.768 -13.289 7.160 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.975 -14.123 6.512 1.00 75.35 N ATOM 0 H HIS A 56 12.581 -18.406 6.403 1.00 62.22 H new ATOM 0 HA HIS A 56 14.741 -16.413 6.042 1.00 52.21 H new ATOM 0 HB2 HIS A 56 13.017 -17.096 8.456 1.00 44.24 H new ATOM 0 HB3 HIS A 56 14.323 -15.927 8.456 1.00 44.24 H new ATOM 0 HD2 HIS A 56 11.047 -16.295 6.213 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.631 -12.221 7.240 1.00 13.10 H new ATOM 0 HE2 HIS A 56 10.130 -13.863 6.004 1.00 75.35 H new ATOM 814 N GLY A 57 16.332 -17.592 7.785 1.00 54.50 N ATOM 815 CA GLY A 57 17.371 -18.443 8.337 1.00 51.11 C ATOM 816 C GLY A 57 18.287 -19.006 7.269 1.00 44.14 C ATOM 817 O GLY A 57 18.739 -20.147 7.368 1.00 3.50 O ATOM 0 H GLY A 57 16.510 -16.591 7.865 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.961 -17.872 9.054 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.910 -19.264 8.886 1.00 51.11 H new ATOM 821 N LEU A 58 18.560 -18.207 6.243 1.00 1.11 N ATOM 822 CA LEU A 58 19.427 -18.634 5.151 1.00 53.45 C ATOM 823 C LEU A 58 20.896 -18.434 5.511 1.00 62.15 C ATOM 824 O LEU A 58 21.679 -19.384 5.519 1.00 35.35 O ATOM 825 CB LEU A 58 19.093 -17.858 3.876 1.00 64.24 C ATOM 826 CG LEU A 58 18.045 -18.490 2.959 1.00 4.24 C ATOM 827 CD1 LEU A 58 17.766 -17.590 1.766 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.501 -19.866 2.498 1.00 62.04 C ATOM 0 H LEU A 58 18.193 -17.260 6.145 1.00 1.11 H new ATOM 0 HA LEU A 58 19.256 -19.697 4.978 1.00 53.45 H new ATOM 0 HB2 LEU A 58 18.746 -16.864 4.160 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.012 -17.724 3.305 1.00 64.24 H new ATOM 0 HG LEU A 58 17.119 -18.606 3.523 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.018 -18.057 1.125 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.394 -16.627 2.116 1.00 55.53 H new ATOM 0 HD13 LEU A 58 18.686 -17.440 1.200 1.00 55.53 H new ATOM 0 HD21 LEU A 58 17.743 -20.301 1.846 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.440 -19.774 1.952 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.647 -20.510 3.365 1.00 62.04 H new ATOM 840 N THR A 59 21.263 -17.192 5.812 1.00 11.10 N ATOM 841 CA THR A 59 22.636 -16.868 6.175 1.00 32.02 C ATOM 842 C THR A 59 22.679 -15.858 7.316 1.00 65.34 C ATOM 843 O THR A 59 21.641 -15.430 7.821 1.00 12.31 O ATOM 844 CB THR A 59 23.416 -16.300 4.974 1.00 50.44 C ATOM 845 OG1 THR A 59 22.612 -15.342 4.276 1.00 55.13 O ATOM 846 CG2 THR A 59 23.826 -17.413 4.021 1.00 44.44 C ATOM 0 H THR A 59 20.628 -16.394 5.811 1.00 11.10 H new ATOM 0 HA THR A 59 23.105 -17.798 6.497 1.00 32.02 H new ATOM 0 HB THR A 59 24.316 -15.814 5.351 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.100 -15.015 3.492 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.375 -16.989 3.181 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.461 -18.126 4.546 1.00 44.44 H new ATOM 0 HG23 THR A 59 22.936 -17.923 3.652 1.00 44.44 H new ATOM 854 N THR A 60 23.888 -15.478 7.719 1.00 54.44 N ATOM 855 CA THR A 60 24.067 -14.518 8.802 1.00 13.13 C ATOM 856 C THR A 60 24.525 -13.167 8.268 1.00 21.15 C ATOM 857 O THR A 60 24.807 -13.022 7.078 1.00 14.52 O ATOM 858 CB THR A 60 25.091 -15.023 9.836 1.00 25.41 C ATOM 859 OG1 THR A 60 26.313 -15.379 9.183 1.00 64.13 O ATOM 860 CG2 THR A 60 24.546 -16.225 10.594 1.00 52.01 C ATOM 0 H THR A 60 24.758 -15.821 7.311 1.00 54.44 H new ATOM 0 HA THR A 60 23.098 -14.404 9.287 1.00 13.13 H new ATOM 0 HB THR A 60 25.282 -14.220 10.548 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.959 -15.697 9.848 1.00 64.13 H new ATOM 0 HG21 THR A 60 25.286 -16.564 11.319 1.00 52.01 H new ATOM 0 HG22 THR A 60 23.631 -15.942 11.115 1.00 52.01 H new ATOM 0 HG23 THR A 60 24.330 -17.030 9.892 1.00 52.01 H new ATOM 868 N GLU A 61 24.598 -12.179 9.154 1.00 22.20 N ATOM 869 CA GLU A 61 25.022 -10.838 8.770 1.00 34.44 C ATOM 870 C GLU A 61 26.528 -10.794 8.522 1.00 75.15 C ATOM 871 O GLU A 61 27.015 -9.976 7.742 1.00 20.20 O ATOM 872 CB GLU A 61 24.644 -9.829 9.856 1.00 63.34 C ATOM 873 CG GLU A 61 24.470 -8.412 9.334 1.00 15.31 C ATOM 874 CD GLU A 61 24.438 -7.381 10.447 1.00 74.31 C ATOM 875 OE1 GLU A 61 23.416 -7.313 11.161 1.00 31.33 O ATOM 876 OE2 GLU A 61 25.433 -6.643 10.603 1.00 53.10 O1- ATOM 0 H GLU A 61 24.369 -12.282 10.143 1.00 22.20 H new ATOM 0 HA GLU A 61 24.510 -10.574 7.845 1.00 34.44 H new ATOM 0 HB2 GLU A 61 23.717 -10.149 10.331 1.00 63.34 H new ATOM 0 HB3 GLU A 61 25.414 -9.832 10.627 1.00 63.34 H new ATOM 0 HG2 GLU A 61 25.286 -8.178 8.650 1.00 15.31 H new ATOM 0 HG3 GLU A 61 23.545 -8.351 8.760 1.00 15.31 H new ATOM 883 N GLU A 62 27.258 -11.679 9.193 1.00 42.53 N ATOM 884 CA GLU A 62 28.708 -11.741 9.047 1.00 43.33 C ATOM 885 C GLU A 62 29.093 -12.426 7.739 1.00 65.32 C ATOM 886 O GLU A 62 30.164 -12.172 7.187 1.00 62.24 O ATOM 887 CB GLU A 62 29.331 -12.485 10.229 1.00 54.13 C ATOM 888 CG GLU A 62 28.776 -12.060 11.578 1.00 32.32 C ATOM 889 CD GLU A 62 29.863 -11.679 12.563 1.00 63.21 C ATOM 890 OE1 GLU A 62 30.754 -12.517 12.816 1.00 22.34 O1- ATOM 891 OE2 GLU A 62 29.823 -10.544 13.081 1.00 12.42 O ATOM 0 H GLU A 62 26.870 -12.363 9.843 1.00 42.53 H new ATOM 0 HA GLU A 62 29.090 -10.720 9.029 1.00 43.33 H new ATOM 0 HB2 GLU A 62 29.169 -13.555 10.100 1.00 54.13 H new ATOM 0 HB3 GLU A 62 30.409 -12.323 10.222 1.00 54.13 H new ATOM 0 HG2 GLU A 62 28.104 -11.213 11.439 1.00 32.32 H new ATOM 0 HG3 GLU A 62 28.182 -12.874 11.995 1.00 32.32 H new ATOM 898 N GLU A 63 28.215 -13.296 7.251 1.00 72.05 N ATOM 899 CA GLU A 63 28.465 -14.019 6.010 1.00 4.24 C ATOM 900 C GLU A 63 27.857 -13.282 4.819 1.00 63.22 C ATOM 901 O GLU A 63 28.362 -13.365 3.700 1.00 24.32 O ATOM 902 CB GLU A 63 27.891 -15.434 6.093 1.00 2.20 C ATOM 903 CG GLU A 63 27.910 -16.178 4.768 1.00 63.03 C ATOM 904 CD GLU A 63 28.186 -17.661 4.936 1.00 12.25 C ATOM 905 OE1 GLU A 63 29.374 -18.044 4.943 1.00 13.21 O ATOM 906 OE2 GLU A 63 27.215 -18.435 5.059 1.00 44.51 O1- ATOM 0 H GLU A 63 27.324 -13.517 7.696 1.00 72.05 H new ATOM 0 HA GLU A 63 29.544 -14.080 5.867 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.458 -16.004 6.828 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.864 -15.380 6.455 1.00 2.20 H new ATOM 0 HG2 GLU A 63 26.951 -16.045 4.267 1.00 63.03 H new ATOM 0 HG3 GLU A 63 28.671 -15.741 4.121 1.00 63.03 H new ATOM 913 N PHE A 64 26.769 -12.561 5.069 1.00 65.55 N ATOM 914 CA PHE A 64 26.090 -11.809 4.020 1.00 2.44 C ATOM 915 C PHE A 64 26.883 -10.560 3.646 1.00 64.41 C ATOM 916 O PHE A 64 26.838 -9.549 4.347 1.00 23.03 O ATOM 917 CB PHE A 64 24.682 -11.417 4.472 1.00 11.52 C ATOM 918 CG PHE A 64 23.855 -10.797 3.383 1.00 62.32 C ATOM 919 CD1 PHE A 64 24.011 -9.462 3.051 1.00 2.21 C ATOM 920 CD2 PHE A 64 22.918 -11.550 2.693 1.00 23.14 C ATOM 921 CE1 PHE A 64 23.251 -8.888 2.050 1.00 22.10 C ATOM 922 CE2 PHE A 64 22.156 -10.982 1.690 1.00 23.23 C ATOM 923 CZ PHE A 64 22.321 -9.649 1.368 1.00 20.10 C ATOM 0 H PHE A 64 26.338 -12.482 5.990 1.00 65.55 H new ATOM 0 HA PHE A 64 26.016 -12.448 3.140 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.169 -12.303 4.847 1.00 11.52 H new ATOM 0 HB3 PHE A 64 24.758 -10.716 5.304 1.00 11.52 H new ATOM 0 HD1 PHE A 64 24.736 -8.862 3.581 1.00 2.21 H new ATOM 0 HD2 PHE A 64 22.782 -12.592 2.942 1.00 23.14 H new ATOM 0 HE1 PHE A 64 23.384 -7.846 1.801 1.00 22.10 H new ATOM 0 HE2 PHE A 64 21.431 -11.580 1.158 1.00 23.23 H new ATOM 0 HZ PHE A 64 21.725 -9.203 0.586 1.00 20.10 H new ATOM 933 N VAL A 65 27.610 -10.638 2.535 1.00 21.05 N ATOM 934 CA VAL A 65 28.412 -9.515 2.066 1.00 15.40 C ATOM 935 C VAL A 65 27.805 -8.891 0.815 1.00 44.42 C ATOM 936 O VAL A 65 26.767 -9.336 0.329 1.00 15.41 O ATOM 937 CB VAL A 65 29.859 -9.947 1.761 1.00 4.22 C ATOM 938 CG1 VAL A 65 30.626 -10.194 3.051 1.00 44.35 C ATOM 939 CG2 VAL A 65 29.869 -11.187 0.879 1.00 3.14 C ATOM 0 H VAL A 65 27.659 -11.468 1.944 1.00 21.05 H new ATOM 0 HA VAL A 65 28.423 -8.777 2.868 1.00 15.40 H new ATOM 0 HB VAL A 65 30.355 -9.140 1.221 1.00 4.22 H new ATOM 0 HG11 VAL A 65 31.646 -10.498 2.815 1.00 44.35 H new ATOM 0 HG12 VAL A 65 30.648 -9.279 3.642 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.135 -10.982 3.621 1.00 44.35 H new ATOM 0 HG21 VAL A 65 30.899 -11.479 0.673 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.356 -12.002 1.391 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.359 -10.970 -0.059 1.00 3.14 H new ATOM 949 N GLU A 66 28.462 -7.856 0.298 1.00 71.12 N ATOM 950 CA GLU A 66 27.985 -7.170 -0.897 1.00 72.12 C ATOM 951 C GLU A 66 28.446 -7.894 -2.160 1.00 23.14 C ATOM 952 O GLU A 66 29.370 -8.705 -2.121 1.00 1.30 O ATOM 953 CB GLU A 66 28.486 -5.724 -0.916 1.00 3.54 C ATOM 954 CG GLU A 66 27.709 -4.823 -1.861 1.00 73.15 C ATOM 955 CD GLU A 66 28.094 -3.363 -1.723 1.00 11.41 C ATOM 956 OE1 GLU A 66 28.263 -2.901 -0.575 1.00 4.44 O1- ATOM 957 OE2 GLU A 66 28.226 -2.683 -2.762 1.00 63.51 O ATOM 0 H GLU A 66 29.324 -7.475 0.688 1.00 71.12 H new ATOM 0 HA GLU A 66 26.895 -7.170 -0.874 1.00 72.12 H new ATOM 0 HB2 GLU A 66 28.428 -5.315 0.093 1.00 3.54 H new ATOM 0 HB3 GLU A 66 29.538 -5.716 -1.203 1.00 3.54 H new ATOM 0 HG2 GLU A 66 27.882 -5.145 -2.888 1.00 73.15 H new ATOM 0 HG3 GLU A 66 26.642 -4.933 -1.667 1.00 73.15 H new ATOM 964 N GLY A 67 27.791 -7.596 -3.278 1.00 24.52 N ATOM 965 CA GLY A 67 28.144 -8.227 -4.536 1.00 43.11 C ATOM 966 C GLY A 67 26.942 -8.810 -5.251 1.00 53.01 C ATOM 967 O GLY A 67 25.799 -8.531 -4.886 1.00 30.33 O ATOM 0 H GLY A 67 27.022 -6.928 -3.335 1.00 24.52 H new ATOM 0 HA2 GLY A 67 28.627 -7.495 -5.183 1.00 43.11 H new ATOM 0 HA3 GLY A 67 28.871 -9.018 -4.351 1.00 43.11 H new ATOM 971 N ILE A 68 27.198 -9.620 -6.272 1.00 63.14 N ATOM 972 CA ILE A 68 26.126 -10.242 -7.039 1.00 74.20 C ATOM 973 C ILE A 68 25.748 -11.598 -6.455 1.00 31.45 C ATOM 974 O ILE A 68 26.592 -12.309 -5.910 1.00 12.54 O ATOM 975 CB ILE A 68 26.525 -10.426 -8.516 1.00 73.34 C ATOM 976 CG1 ILE A 68 27.107 -9.126 -9.075 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.325 -10.872 -9.337 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.619 -9.092 -9.078 1.00 72.12 C ATOM 0 H ILE A 68 28.138 -9.861 -6.587 1.00 63.14 H new ATOM 0 HA ILE A 68 25.268 -9.572 -6.983 1.00 74.20 H new ATOM 0 HB ILE A 68 27.290 -11.200 -8.577 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.747 -8.985 -10.094 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.734 -8.288 -8.486 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.623 -10.998 -10.378 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.951 -11.820 -8.950 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.540 -10.119 -9.273 1.00 20.00 H new ATOM 0 HD11 ILE A 68 28.961 -8.141 -9.487 1.00 72.12 H new ATOM 0 HD12 ILE A 68 28.987 -9.201 -8.058 1.00 72.12 H new ATOM 0 HD13 ILE A 68 29.000 -9.909 -9.691 1.00 72.12 H new ATOM 990 N TYR A 69 24.473 -11.953 -6.573 1.00 70.53 N ATOM 991 CA TYR A 69 23.980 -13.224 -6.056 1.00 5.55 C ATOM 992 C TYR A 69 22.988 -13.859 -7.025 1.00 31.10 C ATOM 993 O TYR A 69 22.202 -13.167 -7.670 1.00 43.33 O ATOM 994 CB TYR A 69 23.320 -13.022 -4.691 1.00 75.15 C ATOM 995 CG TYR A 69 24.299 -12.688 -3.588 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.862 -11.421 -3.492 1.00 43.05 C ATOM 997 CD2 TYR A 69 24.661 -13.639 -2.643 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.757 -11.112 -2.486 1.00 42.14 C ATOM 999 CE2 TYR A 69 25.555 -13.338 -1.632 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.100 -12.074 -1.559 1.00 12.51 C ATOM 1001 OH TYR A 69 26.990 -11.771 -0.555 1.00 52.05 O ATOM 0 H TYR A 69 23.761 -11.377 -7.023 1.00 70.53 H new ATOM 0 HA TYR A 69 24.831 -13.896 -5.944 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.585 -12.221 -4.767 1.00 75.15 H new ATOM 0 HB3 TYR A 69 22.777 -13.928 -4.422 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.595 -10.665 -4.216 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.237 -14.631 -2.699 1.00 31.25 H new ATOM 0 HE1 TYR A 69 26.186 -10.123 -2.426 1.00 42.14 H new ATOM 0 HE2 TYR A 69 25.825 -14.089 -0.904 1.00 72.34 H new ATOM 0 HH TYR A 69 26.931 -10.816 -0.343 1.00 52.05 H new ATOM 1011 N LYS A 70 23.031 -15.184 -7.120 1.00 53.33 N ATOM 1012 CA LYS A 70 22.136 -15.916 -8.008 1.00 53.10 C ATOM 1013 C LYS A 70 21.212 -16.834 -7.213 1.00 14.23 C ATOM 1014 O LYS A 70 21.671 -17.698 -6.466 1.00 71.33 O ATOM 1015 CB LYS A 70 22.943 -16.737 -9.016 1.00 4.23 C ATOM 1016 CG LYS A 70 22.098 -17.339 -10.125 1.00 73.02 C ATOM 1017 CD LYS A 70 22.855 -18.421 -10.879 1.00 24.44 C ATOM 1018 CE LYS A 70 22.848 -19.739 -10.119 1.00 24.25 C ATOM 1019 NZ LYS A 70 23.342 -20.865 -10.958 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.676 -15.772 -6.593 1.00 53.33 H new ATOM 0 HA LYS A 70 21.525 -15.191 -8.545 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.710 -16.101 -9.459 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.460 -17.539 -8.488 1.00 4.23 H new ATOM 0 HG2 LYS A 70 21.186 -17.760 -9.701 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.795 -16.555 -10.819 1.00 73.02 H new ATOM 0 HD2 LYS A 70 22.405 -18.564 -11.861 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.884 -18.100 -11.043 1.00 24.44 H new ATOM 0 HE2 LYS A 70 23.471 -19.649 -9.229 1.00 24.25 H new ATOM 0 HE3 LYS A 70 21.836 -19.957 -9.779 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 22.623 -21.616 -10.990 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.529 -20.523 -11.922 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.220 -21.244 -10.549 1.00 5.14 H new ATOM 1033 N VAL A 71 19.907 -16.641 -7.380 1.00 73.11 N ATOM 1034 CA VAL A 71 18.919 -17.453 -6.680 1.00 34.45 C ATOM 1035 C VAL A 71 18.249 -18.442 -7.628 1.00 63.22 C ATOM 1036 O VAL A 71 17.925 -18.103 -8.765 1.00 63.42 O ATOM 1037 CB VAL A 71 17.837 -16.577 -6.021 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.746 -17.443 -5.412 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.456 -15.667 -4.970 1.00 13.51 C ATOM 0 H VAL A 71 19.510 -15.930 -7.994 1.00 73.11 H new ATOM 0 HA VAL A 71 19.453 -18.002 -5.905 1.00 34.45 H new ATOM 0 HB VAL A 71 17.383 -15.951 -6.789 1.00 32.41 H new ATOM 0 HG11 VAL A 71 15.991 -16.806 -4.951 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.284 -18.048 -6.192 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.180 -18.097 -4.655 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.677 -15.055 -4.514 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.937 -16.273 -4.202 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.197 -15.020 -5.440 1.00 13.51 H new ATOM 1049 N GLU A 72 18.044 -19.665 -7.150 1.00 52.24 N ATOM 1050 CA GLU A 72 17.413 -20.703 -7.956 1.00 34.02 C ATOM 1051 C GLU A 72 16.214 -21.304 -7.227 1.00 45.41 C ATOM 1052 O GLU A 72 16.360 -21.909 -6.164 1.00 32.53 O ATOM 1053 CB GLU A 72 18.421 -21.803 -8.293 1.00 24.24 C ATOM 1054 CG GLU A 72 19.474 -21.373 -9.301 1.00 50.22 C ATOM 1055 CD GLU A 72 19.794 -22.461 -10.309 1.00 65.25 C ATOM 1056 OE1 GLU A 72 18.863 -23.189 -10.711 1.00 13.41 O ATOM 1057 OE2 GLU A 72 20.975 -22.583 -10.695 1.00 24.10 O1- ATOM 0 H GLU A 72 18.305 -19.961 -6.210 1.00 52.24 H new ATOM 0 HA GLU A 72 17.063 -20.245 -8.881 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.916 -22.124 -7.377 1.00 24.24 H new ATOM 0 HB3 GLU A 72 17.886 -22.668 -8.685 1.00 24.24 H new ATOM 0 HG2 GLU A 72 19.126 -20.485 -9.828 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.385 -21.093 -8.772 1.00 50.22 H new ATOM 1064 N ILE A 73 15.030 -21.133 -7.806 1.00 61.12 N ATOM 1065 CA ILE A 73 13.807 -21.658 -7.212 1.00 75.21 C ATOM 1066 C ILE A 73 13.357 -22.933 -7.916 1.00 61.50 C ATOM 1067 O ILE A 73 13.350 -23.007 -9.145 1.00 61.15 O ATOM 1068 CB ILE A 73 12.666 -20.625 -7.267 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.155 -19.265 -6.766 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.478 -21.103 -6.444 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.091 -18.190 -6.801 1.00 64.32 C ATOM 0 H ILE A 73 14.892 -20.635 -8.685 1.00 61.12 H new ATOM 0 HA ILE A 73 14.034 -21.882 -6.170 1.00 75.21 H new ATOM 0 HB ILE A 73 12.345 -20.515 -8.303 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.518 -19.372 -5.744 1.00 2.24 H new ATOM 0 HG13 ILE A 73 14.002 -18.946 -7.373 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.680 -20.362 -6.493 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.118 -22.051 -6.842 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.785 -21.238 -5.407 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.508 -17.253 -6.432 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.744 -18.054 -7.825 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.253 -18.487 -6.171 1.00 64.32 H new ATOM 1083 N ASP A 74 12.981 -23.936 -7.130 1.00 20.43 N ATOM 1084 CA ASP A 74 12.528 -25.209 -7.678 1.00 51.21 C ATOM 1085 C ASP A 74 11.005 -25.293 -7.666 1.00 25.22 C ATOM 1086 O ASP A 74 10.401 -25.677 -6.664 1.00 75.54 O ATOM 1087 CB ASP A 74 13.121 -26.372 -6.882 1.00 1.22 C ATOM 1088 CG ASP A 74 14.600 -26.566 -7.156 1.00 72.00 C ATOM 1089 OD1 ASP A 74 15.230 -25.633 -7.697 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 15.128 -27.649 -6.828 1.00 5.22 O ATOM 0 H ASP A 74 12.981 -23.892 -6.111 1.00 20.43 H new ATOM 0 HA ASP A 74 12.871 -25.275 -8.711 1.00 51.21 H new ATOM 0 HB2 ASP A 74 12.972 -26.193 -5.817 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.585 -27.288 -7.129 1.00 1.22 H new ATOM 1095 N THR A 75 10.388 -24.930 -8.787 1.00 25.23 N ATOM 1096 CA THR A 75 8.936 -24.963 -8.906 1.00 73.01 C ATOM 1097 C THR A 75 8.447 -26.353 -9.295 1.00 65.31 C ATOM 1098 O THR A 75 7.301 -26.717 -9.029 1.00 53.44 O ATOM 1099 CB THR A 75 8.434 -23.944 -9.946 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.682 -24.433 -11.269 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.119 -22.599 -9.760 1.00 30.20 C ATOM 0 H THR A 75 10.872 -24.610 -9.626 1.00 25.23 H new ATOM 0 HA THR A 75 8.533 -24.700 -7.928 1.00 73.01 H new ATOM 0 HB THR A 75 7.362 -23.810 -9.803 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.910 -24.954 -11.575 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.748 -21.896 -10.506 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.905 -22.216 -8.762 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.196 -22.720 -9.879 1.00 30.20 H new ATOM 1109 N LYS A 76 9.322 -27.128 -9.927 1.00 33.31 N ATOM 1110 CA LYS A 76 8.980 -28.480 -10.352 1.00 53.53 C ATOM 1111 C LYS A 76 8.485 -29.312 -9.174 1.00 52.22 C ATOM 1112 O LYS A 76 7.700 -30.245 -9.347 1.00 33.40 O ATOM 1113 CB LYS A 76 10.195 -29.157 -10.993 1.00 42.11 C ATOM 1114 CG LYS A 76 11.182 -29.715 -9.983 1.00 35.11 C ATOM 1115 CD LYS A 76 11.955 -28.607 -9.288 1.00 64.45 C ATOM 1116 CE LYS A 76 12.815 -27.824 -10.269 1.00 4.34 C ATOM 1117 NZ LYS A 76 14.262 -27.916 -9.933 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.274 -26.842 -10.156 1.00 33.31 H new ATOM 0 HA LYS A 76 8.179 -28.411 -11.088 1.00 53.53 H new ATOM 0 HB2 LYS A 76 9.852 -29.966 -11.638 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.708 -28.437 -11.630 1.00 42.11 H new ATOM 0 HG2 LYS A 76 10.648 -30.308 -9.241 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.879 -30.386 -10.486 1.00 35.11 H new ATOM 0 HD2 LYS A 76 11.258 -27.930 -8.794 1.00 64.45 H new ATOM 0 HD3 LYS A 76 12.587 -29.036 -8.511 1.00 64.45 H new ATOM 0 HE2 LYS A 76 12.652 -28.203 -11.278 1.00 4.34 H new ATOM 0 HE3 LYS A 76 12.507 -26.778 -10.267 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 14.593 -26.999 -9.571 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 14.404 -28.647 -9.207 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 14.801 -28.166 -10.786 1.00 11.00 H new ATOM 1131 N SER A 77 8.945 -28.967 -7.975 1.00 50.35 N ATOM 1132 CA SER A 77 8.549 -29.684 -6.769 1.00 24.21 C ATOM 1133 C SER A 77 7.169 -29.236 -6.300 1.00 74.33 C ATOM 1134 O SER A 77 6.427 -30.008 -5.691 1.00 24.13 O ATOM 1135 CB SER A 77 9.575 -29.459 -5.657 1.00 2.11 C ATOM 1136 OG SER A 77 10.874 -29.842 -6.076 1.00 64.04 O ATOM 0 H SER A 77 9.592 -28.195 -7.813 1.00 50.35 H new ATOM 0 HA SER A 77 8.506 -30.747 -7.005 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.578 -28.408 -5.368 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.291 -30.032 -4.774 1.00 2.11 H new ATOM 0 HG SER A 77 11.512 -29.687 -5.348 1.00 64.04 H new ATOM 1142 N TYR A 78 6.830 -27.984 -6.587 1.00 62.35 N ATOM 1143 CA TYR A 78 5.539 -27.432 -6.194 1.00 72.42 C ATOM 1144 C TYR A 78 4.461 -27.783 -7.215 1.00 51.41 C ATOM 1145 O TYR A 78 3.280 -27.873 -6.881 1.00 23.54 O ATOM 1146 CB TYR A 78 5.636 -25.913 -6.040 1.00 12.14 C ATOM 1147 CG TYR A 78 4.381 -25.279 -5.483 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.802 -25.752 -4.312 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.776 -24.208 -6.128 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.654 -25.176 -3.801 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.629 -23.624 -5.623 1.00 34.34 C ATOM 1152 CZ TYR A 78 2.073 -24.113 -4.459 1.00 21.50 C ATOM 1153 OH TYR A 78 0.931 -23.536 -3.951 1.00 72.23 O ATOM 0 H TYR A 78 7.432 -27.332 -7.091 1.00 62.35 H new ATOM 0 HA TYR A 78 5.262 -27.871 -5.236 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.474 -25.676 -5.385 1.00 12.14 H new ATOM 0 HB3 TYR A 78 5.856 -25.471 -7.012 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.256 -26.583 -3.793 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.209 -23.825 -7.040 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.214 -25.557 -2.891 1.00 24.52 H new ATOM 0 HE2 TYR A 78 2.172 -22.791 -6.136 1.00 34.34 H new ATOM 0 HH TYR A 78 0.784 -22.668 -4.381 1.00 72.23 H new ATOM 1163 N TRP A 79 4.878 -27.980 -8.460 1.00 73.24 N ATOM 1164 CA TRP A 79 3.949 -28.323 -9.532 1.00 62.55 C ATOM 1165 C TRP A 79 3.581 -29.801 -9.481 1.00 11.32 C ATOM 1166 O TRP A 79 2.524 -30.205 -9.966 1.00 34.45 O ATOM 1167 CB TRP A 79 4.560 -27.982 -10.892 1.00 35.20 C ATOM 1168 CG TRP A 79 4.802 -26.516 -11.085 1.00 34.11 C ATOM 1169 CD1 TRP A 79 5.968 -25.922 -11.477 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.856 -25.459 -10.891 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.803 -24.559 -11.540 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.516 -24.250 -11.186 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.515 -25.417 -10.500 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.880 -23.015 -11.100 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.885 -24.190 -10.415 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.566 -23.002 -10.714 1.00 2.41 C ATOM 0 H TRP A 79 5.852 -27.908 -8.753 1.00 73.24 H new ATOM 0 HA TRP A 79 3.040 -27.738 -9.393 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.504 -28.516 -11.002 1.00 35.20 H new ATOM 0 HB3 TRP A 79 3.897 -28.340 -11.680 1.00 35.20 H new ATOM 0 HD1 TRP A 79 6.885 -26.446 -11.704 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.522 -23.887 -11.807 1.00 13.12 H new ATOM 0 HE3 TRP A 79 1.981 -26.327 -10.269 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.404 -22.099 -11.330 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.849 -24.146 -10.113 1.00 34.34 H new ATOM 0 HH2 TRP A 79 2.045 -22.059 -10.639 1.00 2.41 H new ATOM 1187 N LYS A 80 4.460 -30.605 -8.893 1.00 14.35 N ATOM 1188 CA LYS A 80 4.227 -32.040 -8.778 1.00 74.13 C ATOM 1189 C LYS A 80 3.274 -32.346 -7.626 1.00 72.35 C ATOM 1190 O LYS A 80 2.658 -33.411 -7.585 1.00 42.42 O ATOM 1191 CB LYS A 80 5.552 -32.777 -8.568 1.00 2.35 C ATOM 1192 CG LYS A 80 6.073 -32.696 -7.143 1.00 11.13 C ATOM 1193 CD LYS A 80 5.874 -34.005 -6.400 1.00 4.54 C ATOM 1194 CE LYS A 80 7.057 -34.942 -6.592 1.00 14.23 C ATOM 1195 NZ LYS A 80 6.826 -36.267 -5.953 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.341 -30.287 -8.488 1.00 14.35 H new ATOM 0 HA LYS A 80 3.770 -32.384 -9.706 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.423 -33.825 -8.840 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.300 -32.362 -9.244 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.133 -32.442 -7.156 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.560 -31.894 -6.612 1.00 11.13 H new ATOM 0 HD2 LYS A 80 5.737 -33.804 -5.338 1.00 4.54 H new ATOM 0 HD3 LYS A 80 4.964 -34.490 -6.753 1.00 4.54 H new ATOM 0 HE2 LYS A 80 7.241 -35.080 -7.657 1.00 14.23 H new ATOM 0 HE3 LYS A 80 7.953 -34.487 -6.170 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 7.655 -36.876 -6.107 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 6.675 -36.138 -4.932 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 5.986 -36.713 -6.373 1.00 15.12 H new ATOM 1209 N ALA A 81 3.157 -31.405 -6.696 1.00 25.24 N ATOM 1210 CA ALA A 81 2.277 -31.573 -5.547 1.00 60.14 C ATOM 1211 C ALA A 81 0.816 -31.639 -5.979 1.00 25.04 C ATOM 1212 O ALA A 81 0.020 -32.379 -5.400 1.00 75.40 O ATOM 1213 CB ALA A 81 2.485 -30.440 -4.552 1.00 62.23 C ATOM 0 H ALA A 81 3.661 -30.518 -6.716 1.00 25.24 H new ATOM 0 HA ALA A 81 2.528 -32.517 -5.063 1.00 60.14 H new ATOM 0 HB1 ALA A 81 1.821 -30.579 -3.699 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.520 -30.441 -4.210 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.263 -29.488 -5.033 1.00 62.23 H new ATOM 1219 N LEU A 82 0.470 -30.860 -6.998 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.896 -30.830 -7.508 1.00 42.14 C ATOM 1221 C LEU A 82 -0.985 -31.514 -8.869 1.00 63.11 C ATOM 1222 O LEU A 82 -2.054 -31.964 -9.281 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.389 -29.386 -7.617 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.308 -28.305 -7.592 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.568 -28.398 -8.832 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.938 -26.924 -7.484 1.00 52.23 C ATOM 0 H LEU A 82 1.116 -30.241 -7.487 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.531 -31.372 -6.807 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.954 -29.285 -8.543 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -2.083 -29.197 -6.798 1.00 1.31 H new ATOM 0 HG LEU A 82 0.320 -28.466 -6.716 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.332 -27.621 -8.797 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.047 -29.376 -8.866 1.00 30.23 H new ATOM 0 HD13 LEU A 82 -0.046 -28.263 -9.722 1.00 30.23 H new ATOM 0 HD21 LEU A 82 -0.154 -26.167 -7.467 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.589 -26.753 -8.341 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.522 -26.861 -6.566 1.00 52.23 H new ATOM 1238 N GLY A 83 0.147 -31.589 -9.563 1.00 74.15 N ATOM 1239 CA GLY A 83 0.175 -32.221 -10.869 1.00 24.44 C ATOM 1240 C GLY A 83 -0.053 -31.233 -11.996 1.00 53.33 C ATOM 1241 O GLY A 83 -0.836 -31.493 -12.910 1.00 44.53 O ATOM 0 H GLY A 83 1.044 -31.224 -9.244 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.137 -32.713 -11.011 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.589 -32.997 -10.910 1.00 24.44 H new ATOM 1245 N ILE A 84 0.632 -30.096 -11.931 1.00 11.52 N ATOM 1246 CA ILE A 84 0.499 -29.065 -12.954 1.00 73.53 C ATOM 1247 C ILE A 84 1.497 -29.283 -14.087 1.00 73.31 C ATOM 1248 O ILE A 84 2.644 -29.665 -13.852 1.00 12.13 O ATOM 1249 CB ILE A 84 0.707 -27.658 -12.366 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.643 -26.993 -12.088 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.539 -26.806 -13.312 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.605 -27.875 -11.322 1.00 31.45 C ATOM 0 H ILE A 84 1.284 -29.865 -11.181 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.515 -29.139 -13.346 1.00 73.53 H new ATOM 0 HB ILE A 84 1.246 -27.750 -11.423 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.477 -26.075 -11.525 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -1.100 -26.708 -13.035 1.00 42.11 H new ATOM 0 HG21 ILE A 84 1.677 -25.814 -12.882 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.511 -27.274 -13.464 1.00 54.52 H new ATOM 0 HG23 ILE A 84 1.025 -26.718 -14.269 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.540 -27.339 -11.161 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.800 -28.782 -11.893 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -1.168 -28.140 -10.359 1.00 31.45 H new ATOM 1264 N SER A 85 1.053 -29.037 -15.315 1.00 52.21 N ATOM 1265 CA SER A 85 1.906 -29.207 -16.485 1.00 24.12 C ATOM 1266 C SER A 85 3.216 -28.442 -16.319 1.00 3.33 C ATOM 1267 O SER A 85 3.255 -27.212 -16.351 1.00 53.24 O ATOM 1268 CB SER A 85 1.182 -28.731 -17.746 1.00 54.52 C ATOM 1269 OG SER A 85 1.799 -29.243 -18.913 1.00 23.32 O ATOM 0 H SER A 85 0.107 -28.719 -15.526 1.00 52.21 H new ATOM 0 HA SER A 85 2.134 -30.268 -16.585 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.140 -29.049 -17.713 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.182 -27.642 -17.779 1.00 54.52 H new ATOM 0 HG SER A 85 1.316 -28.925 -19.704 1.00 23.32 H new ATOM 1275 N PRO A 86 4.316 -29.187 -16.136 1.00 42.12 N ATOM 1276 CA PRO A 86 5.648 -28.602 -15.961 1.00 71.24 C ATOM 1277 C PRO A 86 6.175 -27.964 -17.242 1.00 40.35 C ATOM 1278 O PRO A 86 6.540 -28.660 -18.189 1.00 12.43 O ATOM 1279 CB PRO A 86 6.514 -29.801 -15.566 1.00 45.12 C ATOM 1280 CG PRO A 86 5.812 -30.981 -16.144 1.00 24.31 C ATOM 1281 CD PRO A 86 4.344 -30.658 -16.086 1.00 65.12 C ATOM 0 HA PRO A 86 5.646 -27.799 -15.224 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.525 -29.708 -15.963 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.604 -29.885 -14.483 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.132 -31.161 -17.170 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.036 -31.885 -15.577 1.00 24.31 H new ATOM 0 HD2 PRO A 86 3.802 -31.099 -16.923 1.00 65.12 H new ATOM 0 HD3 PRO A 86 3.885 -31.038 -15.173 1.00 65.12 H new ATOM 1289 N MET A 87 6.210 -26.635 -17.266 1.00 43.33 N ATOM 1290 CA MET A 87 6.694 -25.905 -18.431 1.00 1.42 C ATOM 1291 C MET A 87 8.145 -25.476 -18.241 1.00 55.04 C ATOM 1292 O MET A 87 8.884 -25.305 -19.211 1.00 10.13 O ATOM 1293 CB MET A 87 5.817 -24.678 -18.689 1.00 20.04 C ATOM 1294 CG MET A 87 4.366 -25.018 -18.987 1.00 72.24 C ATOM 1295 SD MET A 87 4.096 -25.458 -20.714 1.00 22.31 S ATOM 1296 CE MET A 87 3.867 -23.838 -21.445 1.00 35.42 C ATOM 0 H MET A 87 5.909 -26.043 -16.492 1.00 43.33 H new ATOM 0 HA MET A 87 6.641 -26.570 -19.293 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.857 -24.024 -17.818 1.00 20.04 H new ATOM 0 HB3 MET A 87 6.229 -24.117 -19.528 1.00 20.04 H new ATOM 0 HG2 MET A 87 4.053 -25.847 -18.352 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.737 -24.165 -18.731 1.00 72.24 H new ATOM 0 HE1 MET A 87 3.689 -23.944 -22.515 1.00 35.42 H new ATOM 0 HE2 MET A 87 3.011 -23.347 -20.982 1.00 35.42 H new ATOM 0 HE3 MET A 87 4.761 -23.236 -21.284 1.00 35.42 H new ATOM 1306 N HIS A 88 8.547 -25.305 -16.986 1.00 0.52 N ATOM 1307 CA HIS A 88 9.912 -24.896 -16.669 1.00 51.21 C ATOM 1308 C HIS A 88 10.411 -25.600 -15.411 1.00 23.12 C ATOM 1309 O HIS A 88 9.728 -25.619 -14.388 1.00 50.35 O ATOM 1310 CB HIS A 88 9.983 -23.381 -16.484 1.00 24.12 C ATOM 1311 CG HIS A 88 10.196 -22.629 -17.761 1.00 62.11 C ATOM 1312 ND1 HIS A 88 9.538 -21.456 -18.063 1.00 74.54 N ATOM 1313 CD2 HIS A 88 11.001 -22.891 -18.818 1.00 20.22 C ATOM 1314 CE1 HIS A 88 9.928 -21.028 -19.251 1.00 21.10 C ATOM 1315 NE2 HIS A 88 10.816 -21.880 -19.730 1.00 3.14 N ATOM 0 H HIS A 88 7.948 -25.443 -16.172 1.00 0.52 H new ATOM 0 HA HIS A 88 10.554 -25.182 -17.502 1.00 51.21 H new ATOM 0 HB2 HIS A 88 9.059 -23.037 -16.020 1.00 24.12 H new ATOM 0 HB3 HIS A 88 10.793 -23.145 -15.794 1.00 24.12 H new ATOM 0 HD2 HIS A 88 11.664 -23.737 -18.924 1.00 20.22 H new ATOM 0 HE1 HIS A 88 9.580 -20.134 -19.746 1.00 21.10 H new ATOM 0 HE2 HIS A 88 11.288 -21.801 -20.631 1.00 3.14 H new ATOM 1323 N GLU A 89 11.605 -26.177 -15.496 1.00 53.32 N ATOM 1324 CA GLU A 89 12.194 -26.883 -14.363 1.00 13.34 C ATOM 1325 C GLU A 89 12.310 -25.965 -13.151 1.00 2.34 C ATOM 1326 O GLU A 89 11.538 -26.075 -12.197 1.00 33.31 O ATOM 1327 CB GLU A 89 13.573 -27.431 -14.736 1.00 13.54 C ATOM 1328 CG GLU A 89 13.521 -28.620 -15.680 1.00 22.51 C ATOM 1329 CD GLU A 89 14.883 -29.245 -15.907 1.00 44.10 C ATOM 1330 OE1 GLU A 89 15.261 -30.143 -15.123 1.00 31.10 O1- ATOM 1331 OE2 GLU A 89 15.571 -28.839 -16.866 1.00 63.34 O ATOM 0 H GLU A 89 12.183 -26.170 -16.336 1.00 53.32 H new ATOM 0 HA GLU A 89 11.538 -27.715 -14.105 1.00 13.34 H new ATOM 0 HB2 GLU A 89 14.157 -26.636 -15.199 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.097 -27.723 -13.826 1.00 13.54 H new ATOM 0 HG2 GLU A 89 12.844 -29.372 -15.275 1.00 22.51 H new ATOM 0 HG3 GLU A 89 13.108 -28.301 -16.637 1.00 22.51 H new ATOM 1338 N HIS A 90 13.280 -25.058 -13.193 1.00 12.33 N ATOM 1339 CA HIS A 90 13.499 -24.119 -12.098 1.00 64.04 C ATOM 1340 C HIS A 90 13.708 -22.704 -12.630 1.00 64.34 C ATOM 1341 O HIS A 90 14.040 -22.512 -13.799 1.00 61.10 O ATOM 1342 CB HIS A 90 14.707 -24.547 -11.264 1.00 14.33 C ATOM 1343 CG HIS A 90 15.904 -24.910 -12.088 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.556 -26.121 -11.977 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.568 -24.215 -13.040 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.568 -26.154 -12.824 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.597 -25.009 -13.482 1.00 64.31 N ATOM 0 H HIS A 90 13.928 -24.953 -13.974 1.00 12.33 H new ATOM 0 HA HIS A 90 12.611 -24.123 -11.465 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.975 -23.737 -10.585 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.428 -25.401 -10.647 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.332 -23.220 -13.388 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.255 -26.977 -12.956 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.274 -24.756 -14.202 1.00 64.31 H new ATOM 1355 N ALA A 91 13.512 -21.716 -11.762 1.00 30.43 N ATOM 1356 CA ALA A 91 13.680 -20.320 -12.144 1.00 4.31 C ATOM 1357 C ALA A 91 14.938 -19.727 -11.519 1.00 13.54 C ATOM 1358 O ALA A 91 15.055 -19.645 -10.297 1.00 55.12 O ATOM 1359 CB ALA A 91 12.456 -19.511 -11.738 1.00 53.12 C ATOM 0 H ALA A 91 13.237 -21.857 -10.790 1.00 30.43 H new ATOM 0 HA ALA A 91 13.789 -20.276 -13.228 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.595 -18.470 -12.029 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.573 -19.912 -12.236 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.322 -19.571 -10.658 1.00 53.12 H new ATOM 1365 N GLU A 92 15.879 -19.318 -12.366 1.00 71.53 N ATOM 1366 CA GLU A 92 17.129 -18.735 -11.894 1.00 22.11 C ATOM 1367 C GLU A 92 17.179 -17.240 -12.192 1.00 21.04 C ATOM 1368 O GLU A 92 16.903 -16.808 -13.312 1.00 35.42 O ATOM 1369 CB GLU A 92 18.323 -19.437 -12.547 1.00 20.12 C ATOM 1370 CG GLU A 92 18.125 -20.933 -12.726 1.00 3.34 C ATOM 1371 CD GLU A 92 17.760 -21.308 -14.149 1.00 5.13 C ATOM 1372 OE1 GLU A 92 16.566 -21.202 -14.501 1.00 1.44 O1- ATOM 1373 OE2 GLU A 92 18.667 -21.706 -14.909 1.00 51.43 O ATOM 0 H GLU A 92 15.799 -19.380 -13.381 1.00 71.53 H new ATOM 0 HA GLU A 92 17.180 -18.874 -10.814 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.512 -18.985 -13.521 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.211 -19.267 -11.939 1.00 20.12 H new ATOM 0 HG2 GLU A 92 19.039 -21.453 -12.441 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.340 -21.275 -12.052 1.00 3.34 H new ATOM 1380 N VAL A 93 17.530 -16.452 -11.180 1.00 13.33 N ATOM 1381 CA VAL A 93 17.617 -15.005 -11.332 1.00 70.50 C ATOM 1382 C VAL A 93 18.869 -14.455 -10.658 1.00 3.53 C ATOM 1383 O VAL A 93 19.283 -14.939 -9.605 1.00 12.13 O ATOM 1384 CB VAL A 93 16.379 -14.304 -10.742 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.492 -12.795 -10.903 1.00 23.41 C ATOM 1386 CG2 VAL A 93 15.109 -14.824 -11.398 1.00 45.53 C ATOM 0 H VAL A 93 17.759 -16.792 -10.246 1.00 13.33 H new ATOM 0 HA VAL A 93 17.666 -14.801 -12.402 1.00 70.50 H new ATOM 0 HB VAL A 93 16.329 -14.529 -9.677 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.608 -12.317 -10.480 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.381 -12.439 -10.383 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.568 -12.547 -11.962 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.244 -14.318 -10.969 1.00 45.53 H new ATOM 0 HG22 VAL A 93 15.148 -14.631 -12.470 1.00 45.53 H new ATOM 0 HG23 VAL A 93 15.024 -15.897 -11.226 1.00 45.53 H new ATOM 1396 N VAL A 94 19.468 -13.440 -11.272 1.00 2.22 N ATOM 1397 CA VAL A 94 20.672 -12.822 -10.730 1.00 2.02 C ATOM 1398 C VAL A 94 20.382 -11.422 -10.201 1.00 12.31 C ATOM 1399 O VAL A 94 19.700 -10.630 -10.853 1.00 50.11 O ATOM 1400 CB VAL A 94 21.785 -12.737 -11.792 1.00 14.01 C ATOM 1401 CG1 VAL A 94 23.022 -12.063 -11.216 1.00 20.21 C ATOM 1402 CG2 VAL A 94 22.121 -14.123 -12.323 1.00 30.43 C ATOM 0 H VAL A 94 19.139 -13.028 -12.145 1.00 2.22 H new ATOM 0 HA VAL A 94 21.010 -13.454 -9.909 1.00 2.02 H new ATOM 0 HB VAL A 94 21.425 -12.132 -12.624 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.798 -12.012 -11.980 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.768 -11.055 -10.889 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.388 -12.639 -10.366 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.909 -14.044 -13.072 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.462 -14.754 -11.502 1.00 30.43 H new ATOM 0 HG23 VAL A 94 21.233 -14.564 -12.775 1.00 30.43 H new ATOM 1412 N PHE A 95 20.904 -11.122 -9.017 1.00 1.21 N ATOM 1413 CA PHE A 95 20.702 -9.817 -8.400 1.00 71.43 C ATOM 1414 C PHE A 95 22.036 -9.169 -8.046 1.00 71.25 C ATOM 1415 O PHE A 95 22.825 -9.722 -7.278 1.00 40.21 O ATOM 1416 CB PHE A 95 19.839 -9.952 -7.143 1.00 71.11 C ATOM 1417 CG PHE A 95 18.578 -10.739 -7.363 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.591 -12.123 -7.307 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.381 -10.095 -7.626 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.433 -12.849 -7.509 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.219 -10.816 -7.830 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.245 -12.195 -7.771 1.00 23.11 C ATOM 0 H PHE A 95 21.471 -11.766 -8.465 1.00 1.21 H new ATOM 0 HA PHE A 95 20.188 -9.179 -9.119 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.425 -10.432 -6.359 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.579 -8.957 -6.782 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.517 -12.640 -7.103 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.355 -9.016 -7.672 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.457 -13.928 -7.462 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.292 -10.301 -8.035 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.339 -12.761 -7.929 1.00 23.11 H new ATOM 1432 N THR A 96 22.284 -7.992 -8.613 1.00 53.44 N ATOM 1433 CA THR A 96 23.523 -7.268 -8.359 1.00 53.12 C ATOM 1434 C THR A 96 23.341 -6.234 -7.254 1.00 30.54 C ATOM 1435 O THR A 96 22.394 -5.448 -7.277 1.00 64.13 O ATOM 1436 CB THR A 96 24.030 -6.560 -9.630 1.00 32.55 C ATOM 1437 OG1 THR A 96 24.161 -7.504 -10.698 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.370 -5.885 -9.377 1.00 22.52 C ATOM 0 H THR A 96 21.643 -7.520 -9.251 1.00 53.44 H new ATOM 0 HA THR A 96 24.260 -8.006 -8.043 1.00 53.12 H new ATOM 0 HB THR A 96 23.303 -5.797 -9.907 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.482 -7.045 -11.502 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.707 -5.392 -10.289 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.261 -5.145 -8.584 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.103 -6.633 -9.077 1.00 22.52 H new ATOM 1446 N ALA A 97 24.253 -6.240 -6.287 1.00 62.01 N ATOM 1447 CA ALA A 97 24.194 -5.301 -5.174 1.00 43.35 C ATOM 1448 C ALA A 97 25.329 -4.286 -5.252 1.00 12.42 C ATOM 1449 O ALA A 97 26.447 -4.619 -5.642 1.00 52.21 O ATOM 1450 CB ALA A 97 24.240 -6.049 -3.850 1.00 10.43 C ATOM 0 H ALA A 97 25.042 -6.885 -6.252 1.00 62.01 H new ATOM 0 HA ALA A 97 23.251 -4.757 -5.238 1.00 43.35 H new ATOM 0 HB1 ALA A 97 24.195 -5.335 -3.027 1.00 10.43 H new ATOM 0 HB2 ALA A 97 23.391 -6.729 -3.787 1.00 10.43 H new ATOM 0 HB3 ALA A 97 25.167 -6.619 -3.786 1.00 10.43 H new ATOM 1456 N ASN A 98 25.033 -3.045 -4.878 1.00 22.42 N ATOM 1457 CA ASN A 98 26.030 -1.981 -4.906 1.00 70.24 C ATOM 1458 C ASN A 98 26.003 -1.176 -3.611 1.00 0.21 C ATOM 1459 O ASN A 98 26.374 -0.002 -3.589 1.00 44.32 O ATOM 1460 CB ASN A 98 25.783 -1.055 -6.100 1.00 53.32 C ATOM 1461 CG ASN A 98 27.002 -0.221 -6.444 1.00 65.42 C ATOM 1462 OD1 ASN A 98 28.137 -0.618 -6.178 1.00 61.01 O ATOM 1463 ND2 ASN A 98 26.772 0.943 -7.041 1.00 50.32 N ATOM 0 H ASN A 98 24.112 -2.752 -4.552 1.00 22.42 H new ATOM 0 HA ASN A 98 27.013 -2.440 -5.007 1.00 70.24 H new ATOM 0 HB2 ASN A 98 25.497 -1.652 -6.966 1.00 53.32 H new ATOM 0 HB3 ASN A 98 24.945 -0.395 -5.877 1.00 53.32 H new ATOM 0 HD21 ASN A 98 27.552 1.547 -7.298 1.00 50.32 H new ATOM 0 HD22 ASN A 98 25.815 1.232 -7.243 1.00 50.32 H new ATOM 1470 N ASP A 99 25.563 -1.815 -2.532 1.00 15.12 N ATOM 1471 CA ASP A 99 25.489 -1.160 -1.232 1.00 4.24 C ATOM 1472 C ASP A 99 25.238 -2.178 -0.124 1.00 73.21 C ATOM 1473 O ASP A 99 24.504 -3.148 -0.313 1.00 53.11 O ATOM 1474 CB ASP A 99 24.382 -0.104 -1.231 1.00 62.12 C ATOM 1475 CG ASP A 99 23.007 -0.706 -1.443 1.00 13.14 C ATOM 1476 OD1 ASP A 99 22.669 -1.017 -2.604 1.00 52.50 O1- ATOM 1477 OD2 ASP A 99 22.269 -0.865 -0.448 1.00 55.13 O ATOM 0 H ASP A 99 25.252 -2.786 -2.533 1.00 15.12 H new ATOM 0 HA ASP A 99 26.446 -0.673 -1.044 1.00 4.24 H new ATOM 0 HB2 ASP A 99 24.398 0.434 -0.283 1.00 62.12 H new ATOM 0 HB3 ASP A 99 24.580 0.627 -2.015 1.00 62.12 H new ATOM 1482 N SER A 100 25.853 -1.950 1.033 1.00 64.11 N ATOM 1483 CA SER A 100 25.701 -2.851 2.169 1.00 51.44 C ATOM 1484 C SER A 100 25.208 -2.095 3.399 1.00 2.13 C ATOM 1485 O SER A 100 25.118 -0.867 3.392 1.00 24.13 O ATOM 1486 CB SER A 100 27.029 -3.543 2.481 1.00 72.33 C ATOM 1487 OG SER A 100 26.866 -4.533 3.480 1.00 61.25 O ATOM 0 H SER A 100 26.461 -1.150 1.208 1.00 64.11 H new ATOM 0 HA SER A 100 24.960 -3.606 1.905 1.00 51.44 H new ATOM 0 HB2 SER A 100 27.427 -3.999 1.574 1.00 72.33 H new ATOM 0 HB3 SER A 100 27.758 -2.804 2.813 1.00 72.33 H new ATOM 0 HG SER A 100 27.729 -4.961 3.660 1.00 61.25 H new ATOM 1493 N GLY A 101 24.890 -2.837 4.455 1.00 42.21 N ATOM 1494 CA GLY A 101 24.409 -2.221 5.678 1.00 53.22 C ATOM 1495 C GLY A 101 23.172 -2.905 6.225 1.00 10.13 C ATOM 1496 O GLY A 101 22.593 -3.787 5.591 1.00 41.01 O ATOM 0 H GLY A 101 24.957 -3.854 4.486 1.00 42.21 H new ATOM 0 HA2 GLY A 101 25.198 -2.249 6.430 1.00 53.22 H new ATOM 0 HA3 GLY A 101 24.186 -1.171 5.489 1.00 53.22 H new ATOM 1500 N PRO A 102 22.750 -2.497 7.431 1.00 72.31 N ATOM 1501 CA PRO A 102 21.571 -3.064 8.090 1.00 62.41 C ATOM 1502 C PRO A 102 20.272 -2.672 7.395 1.00 55.41 C ATOM 1503 O PRO A 102 19.954 -1.488 7.275 1.00 30.03 O ATOM 1504 CB PRO A 102 21.627 -2.463 9.497 1.00 3.05 C ATOM 1505 CG PRO A 102 22.391 -1.195 9.336 1.00 21.03 C ATOM 1506 CD PRO A 102 23.392 -1.449 8.243 1.00 22.35 C ATOM 0 HA PRO A 102 21.582 -4.154 8.076 1.00 62.41 H new ATOM 0 HB2 PRO A 102 20.627 -2.276 9.888 1.00 3.05 H new ATOM 0 HB3 PRO A 102 22.121 -3.137 10.196 1.00 3.05 H new ATOM 0 HG2 PRO A 102 21.728 -0.371 9.074 1.00 21.03 H new ATOM 0 HG3 PRO A 102 22.890 -0.919 10.265 1.00 21.03 H new ATOM 0 HD2 PRO A 102 23.586 -0.550 7.658 1.00 22.35 H new ATOM 0 HD3 PRO A 102 24.350 -1.781 8.644 1.00 22.35 H new ATOM 1514 N ARG A 103 19.524 -3.671 6.938 1.00 52.42 N ATOM 1515 CA ARG A 103 18.260 -3.430 6.253 1.00 64.24 C ATOM 1516 C ARG A 103 17.501 -4.735 6.036 1.00 1.20 C ATOM 1517 O ARG A 103 18.104 -5.794 5.859 1.00 43.01 O ATOM 1518 CB ARG A 103 18.507 -2.742 4.910 1.00 21.14 C ATOM 1519 CG ARG A 103 19.561 -3.430 4.057 1.00 71.15 C ATOM 1520 CD ARG A 103 19.586 -2.870 2.644 1.00 40.02 C ATOM 1521 NE ARG A 103 20.703 -3.399 1.866 1.00 23.44 N ATOM 1522 CZ ARG A 103 20.769 -4.653 1.434 1.00 72.30 C ATOM 1523 NH1 ARG A 103 19.786 -5.503 1.702 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 21.819 -5.061 0.731 1.00 23.55 N ATOM 0 H ARG A 103 19.772 -4.656 7.030 1.00 52.42 H new ATOM 0 HA ARG A 103 17.654 -2.778 6.882 1.00 64.24 H new ATOM 0 HB2 ARG A 103 17.570 -2.703 4.354 1.00 21.14 H new ATOM 0 HB3 ARG A 103 18.814 -1.712 5.090 1.00 21.14 H new ATOM 0 HG2 ARG A 103 20.541 -3.305 4.517 1.00 71.15 H new ATOM 0 HG3 ARG A 103 19.360 -4.501 4.022 1.00 71.15 H new ATOM 0 HD2 ARG A 103 18.649 -3.110 2.142 1.00 40.02 H new ATOM 0 HD3 ARG A 103 19.656 -1.783 2.686 1.00 40.02 H new ATOM 0 HE ARG A 103 21.475 -2.771 1.642 1.00 23.44 H new ATOM 0 HH11 ARG A 103 18.977 -5.194 2.241 1.00 12.31 H new ATOM 0 HH12 ARG A 103 19.839 -6.466 1.369 1.00 12.31 H new ATOM 0 HH21 ARG A 103 22.577 -4.411 0.522 1.00 23.55 H new ATOM 0 HH22 ARG A 103 21.868 -6.025 0.400 1.00 23.55 H new ATOM 1538 N ARG A 104 16.175 -4.652 6.052 1.00 42.23 N ATOM 1539 CA ARG A 104 15.334 -5.827 5.860 1.00 3.34 C ATOM 1540 C ARG A 104 14.564 -5.734 4.545 1.00 11.24 C ATOM 1541 O ARG A 104 13.452 -5.206 4.501 1.00 3.33 O ATOM 1542 CB ARG A 104 14.355 -5.978 7.026 1.00 1.21 C ATOM 1543 CG ARG A 104 13.660 -4.681 7.410 1.00 52.32 C ATOM 1544 CD ARG A 104 12.288 -4.942 8.013 1.00 23.35 C ATOM 1545 NE ARG A 104 11.386 -5.587 7.063 1.00 23.43 N ATOM 1546 CZ ARG A 104 10.872 -4.973 6.002 1.00 61.22 C ATOM 1547 NH1 ARG A 104 11.170 -3.704 5.759 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 10.059 -5.627 5.184 1.00 61.40 N ATOM 0 H ARG A 104 15.660 -3.783 6.196 1.00 42.23 H new ATOM 0 HA ARG A 104 15.981 -6.703 5.823 1.00 3.34 H new ATOM 0 HB2 ARG A 104 13.601 -6.720 6.763 1.00 1.21 H new ATOM 0 HB3 ARG A 104 14.892 -6.363 7.893 1.00 1.21 H new ATOM 0 HG2 ARG A 104 14.275 -4.135 8.125 1.00 52.32 H new ATOM 0 HG3 ARG A 104 13.557 -4.047 6.529 1.00 52.32 H new ATOM 0 HD2 ARG A 104 12.394 -5.571 8.897 1.00 23.35 H new ATOM 0 HD3 ARG A 104 11.852 -3.999 8.344 1.00 23.35 H new ATOM 0 HE ARG A 104 11.136 -6.563 7.222 1.00 23.43 H new ATOM 0 HH11 ARG A 104 11.794 -3.198 6.387 1.00 21.23 H new ATOM 0 HH12 ARG A 104 10.775 -3.234 4.944 1.00 21.23 H new ATOM 0 HH21 ARG A 104 9.827 -6.603 5.368 1.00 61.40 H new ATOM 0 HH22 ARG A 104 9.666 -5.154 4.370 1.00 61.40 H new ATOM 1562 N TYR A 105 15.163 -6.249 3.478 1.00 64.52 N ATOM 1563 CA TYR A 105 14.535 -6.222 2.162 1.00 43.23 C ATOM 1564 C TYR A 105 13.950 -7.586 1.808 1.00 12.34 C ATOM 1565 O TYR A 105 14.484 -8.625 2.199 1.00 73.32 O ATOM 1566 CB TYR A 105 15.550 -5.800 1.098 1.00 4.01 C ATOM 1567 CG TYR A 105 15.614 -4.304 0.884 1.00 12.10 C ATOM 1568 CD1 TYR A 105 15.682 -3.430 1.962 1.00 32.04 C ATOM 1569 CD2 TYR A 105 15.609 -3.766 -0.397 1.00 71.31 C ATOM 1570 CE1 TYR A 105 15.740 -2.064 1.770 1.00 72.42 C ATOM 1571 CE2 TYR A 105 15.670 -2.399 -0.597 1.00 24.24 C ATOM 1572 CZ TYR A 105 15.734 -1.553 0.489 1.00 22.41 C ATOM 1573 OH TYR A 105 15.794 -0.192 0.294 1.00 41.31 O ATOM 0 H TYR A 105 16.082 -6.690 3.498 1.00 64.52 H new ATOM 0 HA TYR A 105 13.723 -5.495 2.191 1.00 43.23 H new ATOM 0 HB2 TYR A 105 16.538 -6.160 1.386 1.00 4.01 H new ATOM 0 HB3 TYR A 105 15.297 -6.283 0.154 1.00 4.01 H new ATOM 0 HD1 TYR A 105 15.690 -3.826 2.967 1.00 32.04 H new ATOM 0 HD2 TYR A 105 15.557 -4.426 -1.250 1.00 71.31 H new ATOM 0 HE1 TYR A 105 15.790 -1.399 2.619 1.00 72.42 H new ATOM 0 HE2 TYR A 105 15.667 -1.996 -1.599 1.00 24.24 H new ATOM 0 HH TYR A 105 16.073 0.246 1.125 1.00 41.31 H new ATOM 1583 N THR A 106 12.848 -7.576 1.065 1.00 61.33 N ATOM 1584 CA THR A 106 12.189 -8.811 0.660 1.00 12.11 C ATOM 1585 C THR A 106 11.867 -8.798 -0.831 1.00 32.31 C ATOM 1586 O THR A 106 11.410 -7.788 -1.368 1.00 11.53 O ATOM 1587 CB THR A 106 10.887 -9.040 1.451 1.00 42.34 C ATOM 1588 OG1 THR A 106 11.174 -9.120 2.852 1.00 34.34 O ATOM 1589 CG2 THR A 106 10.194 -10.316 0.996 1.00 20.22 C ATOM 0 H THR A 106 12.393 -6.726 0.732 1.00 61.33 H new ATOM 0 HA THR A 106 12.883 -9.624 0.874 1.00 12.11 H new ATOM 0 HB THR A 106 10.221 -8.198 1.264 1.00 42.34 H new ATOM 0 HG1 THR A 106 10.790 -9.944 3.218 1.00 34.34 H new ATOM 0 HG21 THR A 106 9.277 -10.456 1.569 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.952 -10.240 -0.064 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.856 -11.167 1.157 1.00 20.22 H new ATOM 1597 N ILE A 107 12.110 -9.924 -1.493 1.00 71.42 N ATOM 1598 CA ILE A 107 11.844 -10.042 -2.921 1.00 74.04 C ATOM 1599 C ILE A 107 10.561 -10.824 -3.180 1.00 33.14 C ATOM 1600 O ILE A 107 10.416 -11.962 -2.735 1.00 43.14 O ATOM 1601 CB ILE A 107 13.009 -10.731 -3.656 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.307 -9.948 -3.447 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.697 -10.863 -5.139 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.227 -8.511 -3.911 1.00 2.32 C ATOM 0 H ILE A 107 12.490 -10.767 -1.063 1.00 71.42 H new ATOM 0 HA ILE A 107 11.732 -9.028 -3.305 1.00 74.04 H new ATOM 0 HB ILE A 107 13.139 -11.731 -3.242 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.566 -9.966 -2.388 1.00 62.44 H new ATOM 0 HG13 ILE A 107 15.114 -10.449 -3.981 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.530 -11.352 -5.644 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.794 -11.459 -5.269 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.543 -9.873 -5.568 1.00 32.41 H new ATOM 0 HD11 ILE A 107 15.182 -8.017 -3.732 1.00 2.32 H new ATOM 0 HD12 ILE A 107 13.999 -8.485 -4.977 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.442 -7.994 -3.359 1.00 2.32 H new ATOM 1616 N ALA A 108 9.633 -10.207 -3.904 1.00 44.40 N ATOM 1617 CA ALA A 108 8.364 -10.846 -4.224 1.00 61.41 C ATOM 1618 C ALA A 108 8.396 -11.460 -5.620 1.00 62.14 C ATOM 1619 O ALA A 108 8.441 -10.745 -6.621 1.00 70.45 O ATOM 1620 CB ALA A 108 7.224 -9.844 -4.112 1.00 74.04 C ATOM 0 H ALA A 108 9.737 -9.265 -4.280 1.00 44.40 H new ATOM 0 HA ALA A 108 8.198 -11.649 -3.505 1.00 61.41 H new ATOM 0 HB1 ALA A 108 6.282 -10.336 -4.354 1.00 74.04 H new ATOM 0 HB2 ALA A 108 7.180 -9.456 -3.094 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.393 -9.022 -4.807 1.00 74.04 H new ATOM 1626 N ALA A 109 8.372 -12.787 -5.679 1.00 63.14 N ATOM 1627 CA ALA A 109 8.397 -13.496 -6.952 1.00 74.21 C ATOM 1628 C ALA A 109 7.123 -14.310 -7.152 1.00 35.54 C ATOM 1629 O ALA A 109 6.593 -14.893 -6.206 1.00 62.10 O ATOM 1630 CB ALA A 109 9.620 -14.398 -7.030 1.00 25.13 C ATOM 0 H ALA A 109 8.335 -13.393 -4.859 1.00 63.14 H new ATOM 0 HA ALA A 109 8.453 -12.756 -7.751 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.626 -14.921 -7.986 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.523 -13.795 -6.941 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.588 -15.125 -6.219 1.00 25.13 H new ATOM 1636 N MET A 110 6.637 -14.346 -8.389 1.00 70.32 N ATOM 1637 CA MET A 110 5.425 -15.090 -8.712 1.00 45.12 C ATOM 1638 C MET A 110 5.726 -16.221 -9.690 1.00 15.33 C ATOM 1639 O MET A 110 6.580 -16.084 -10.568 1.00 41.41 O ATOM 1640 CB MET A 110 4.369 -14.154 -9.303 1.00 74.03 C ATOM 1641 CG MET A 110 3.597 -13.369 -8.256 1.00 13.10 C ATOM 1642 SD MET A 110 1.874 -13.105 -8.714 1.00 31.04 S ATOM 1643 CE MET A 110 1.034 -13.885 -7.338 1.00 0.14 C ATOM 0 H MET A 110 7.064 -13.869 -9.183 1.00 70.32 H new ATOM 0 HA MET A 110 5.038 -15.525 -7.790 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.855 -13.455 -9.984 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.667 -14.740 -9.896 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.638 -13.901 -7.305 1.00 13.10 H new ATOM 0 HG3 MET A 110 4.080 -12.404 -8.103 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.021 -14.011 -7.580 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.481 -14.860 -7.144 1.00 0.14 H new ATOM 0 HE3 MET A 110 1.130 -13.259 -6.451 1.00 0.14 H new ATOM 1653 N LEU A 111 5.019 -17.335 -9.536 1.00 31.10 N ATOM 1654 CA LEU A 111 5.211 -18.490 -10.407 1.00 3.04 C ATOM 1655 C LEU A 111 4.092 -18.584 -11.439 1.00 63.32 C ATOM 1656 O LEU A 111 2.916 -18.680 -11.088 1.00 10.01 O ATOM 1657 CB LEU A 111 5.267 -19.775 -9.578 1.00 34.42 C ATOM 1658 CG LEU A 111 6.664 -20.293 -9.237 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.552 -19.157 -8.756 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.583 -21.391 -8.187 1.00 11.55 C ATOM 0 H LEU A 111 4.308 -17.463 -8.816 1.00 31.10 H new ATOM 0 HA LEU A 111 6.157 -18.365 -10.934 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.726 -19.607 -8.647 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.734 -20.556 -10.119 1.00 34.42 H new ATOM 0 HG LEU A 111 7.106 -20.713 -10.140 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.542 -19.545 -8.518 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.636 -18.404 -9.540 1.00 40.44 H new ATOM 0 HD13 LEU A 111 7.115 -18.706 -7.865 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.587 -21.748 -7.956 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.121 -20.996 -7.282 1.00 11.55 H new ATOM 0 HD23 LEU A 111 5.983 -22.217 -8.570 1.00 11.55 H new ATOM 1672 N SER A 112 4.468 -18.560 -12.714 1.00 73.51 N ATOM 1673 CA SER A 112 3.497 -18.641 -13.798 1.00 51.32 C ATOM 1674 C SER A 112 4.104 -19.319 -15.023 1.00 24.21 C ATOM 1675 O SER A 112 4.754 -18.687 -15.855 1.00 14.52 O ATOM 1676 CB SER A 112 2.996 -17.244 -14.170 1.00 2.41 C ATOM 1677 OG SER A 112 3.948 -16.253 -13.822 1.00 5.42 O ATOM 0 H SER A 112 5.438 -18.485 -13.021 1.00 73.51 H new ATOM 0 HA SER A 112 2.655 -19.241 -13.452 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.794 -17.199 -15.240 1.00 2.41 H new ATOM 0 HB3 SER A 112 2.054 -17.044 -13.659 1.00 2.41 H new ATOM 0 HG SER A 112 4.198 -15.745 -14.622 1.00 5.42 H new ATOM 1683 N PRO A 113 3.889 -20.638 -15.136 1.00 54.43 N ATOM 1684 CA PRO A 113 4.406 -21.432 -16.255 1.00 23.13 C ATOM 1685 C PRO A 113 3.706 -21.106 -17.569 1.00 42.52 C ATOM 1686 O PRO A 113 4.335 -21.072 -18.627 1.00 32.13 O ATOM 1687 CB PRO A 113 4.109 -22.874 -15.835 1.00 11.42 C ATOM 1688 CG PRO A 113 2.953 -22.765 -14.902 1.00 14.31 C ATOM 1689 CD PRO A 113 3.123 -21.456 -14.181 1.00 11.21 C ATOM 0 HA PRO A 113 5.462 -21.236 -16.439 1.00 23.13 H new ATOM 0 HB2 PRO A 113 3.865 -23.495 -16.697 1.00 11.42 H new ATOM 0 HB3 PRO A 113 4.970 -23.330 -15.347 1.00 11.42 H new ATOM 0 HG2 PRO A 113 2.009 -22.791 -15.446 1.00 14.31 H new ATOM 0 HG3 PRO A 113 2.939 -23.598 -14.199 1.00 14.31 H new ATOM 0 HD2 PRO A 113 2.162 -21.001 -13.942 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.658 -21.582 -13.240 1.00 11.21 H new ATOM 1697 N TYR A 114 2.401 -20.865 -17.496 1.00 23.21 N ATOM 1698 CA TYR A 114 1.616 -20.543 -18.681 1.00 4.41 C ATOM 1699 C TYR A 114 1.796 -19.080 -19.073 1.00 5.12 C ATOM 1700 O TYR A 114 1.953 -18.755 -20.251 1.00 62.34 O ATOM 1701 CB TYR A 114 0.135 -20.838 -18.433 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.120 -22.211 -17.854 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.130 -23.338 -18.665 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.351 -22.381 -16.494 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.364 -24.594 -18.140 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.584 -23.633 -15.960 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.590 -24.737 -16.787 1.00 23.21 C ATOM 1708 OH TYR A 114 -0.821 -25.986 -16.261 1.00 44.10 O ATOM 0 H TYR A 114 1.865 -20.887 -16.628 1.00 23.21 H new ATOM 0 HA TYR A 114 1.972 -21.166 -19.502 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.268 -20.086 -17.754 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.408 -20.743 -19.373 1.00 10.22 H new ATOM 0 HD1 TYR A 114 0.048 -23.231 -19.725 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -0.348 -21.519 -15.844 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.370 -25.460 -18.786 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -0.761 -23.747 -14.901 1.00 70.43 H new ATOM 0 HH TYR A 114 -0.960 -25.913 -15.294 1.00 44.10 H new ATOM 1718 N SER A 115 1.773 -18.200 -18.077 1.00 54.30 N ATOM 1719 CA SER A 115 1.931 -16.771 -18.317 1.00 50.32 C ATOM 1720 C SER A 115 3.400 -16.366 -18.244 1.00 24.11 C ATOM 1721 O SER A 115 4.273 -17.198 -17.999 1.00 43.12 O ATOM 1722 CB SER A 115 1.118 -15.968 -17.298 1.00 73.32 C ATOM 1723 OG SER A 115 -0.234 -15.846 -17.706 1.00 23.24 O ATOM 0 H SER A 115 1.647 -18.452 -17.097 1.00 54.30 H new ATOM 0 HA SER A 115 1.562 -16.554 -19.319 1.00 50.32 H new ATOM 0 HB2 SER A 115 1.165 -16.457 -16.325 1.00 73.32 H new ATOM 0 HB3 SER A 115 1.556 -14.977 -17.179 1.00 73.32 H new ATOM 0 HG SER A 115 -0.732 -15.331 -17.038 1.00 23.24 H new ATOM 1729 N TYR A 116 3.665 -15.082 -18.458 1.00 51.11 N ATOM 1730 CA TYR A 116 5.028 -14.566 -18.419 1.00 44.22 C ATOM 1731 C TYR A 116 5.571 -14.566 -16.993 1.00 31.31 C ATOM 1732 O TYR A 116 4.810 -14.648 -16.028 1.00 23.43 O ATOM 1733 CB TYR A 116 5.076 -13.150 -18.995 1.00 65.40 C ATOM 1734 CG TYR A 116 4.486 -12.103 -18.077 1.00 71.35 C ATOM 1735 CD1 TYR A 116 3.110 -11.938 -17.972 1.00 11.14 C ATOM 1736 CD2 TYR A 116 5.304 -11.279 -17.315 1.00 61.42 C ATOM 1737 CE1 TYR A 116 2.568 -10.983 -17.136 1.00 2.33 C ATOM 1738 CE2 TYR A 116 4.770 -10.321 -16.475 1.00 43.15 C ATOM 1739 CZ TYR A 116 3.401 -10.176 -16.389 1.00 73.22 C ATOM 1740 OH TYR A 116 2.863 -9.224 -15.553 1.00 0.32 O ATOM 0 H TYR A 116 2.954 -14.379 -18.660 1.00 51.11 H new ATOM 0 HA TYR A 116 5.654 -15.220 -19.026 1.00 44.22 H new ATOM 0 HB2 TYR A 116 6.112 -12.890 -19.211 1.00 65.40 H new ATOM 0 HB3 TYR A 116 4.539 -13.134 -19.943 1.00 65.40 H new ATOM 0 HD1 TYR A 116 2.454 -12.568 -18.554 1.00 11.14 H new ATOM 0 HD2 TYR A 116 6.376 -11.389 -17.380 1.00 61.42 H new ATOM 0 HE1 TYR A 116 1.496 -10.868 -17.067 1.00 2.33 H new ATOM 0 HE2 TYR A 116 5.421 -9.689 -15.889 1.00 43.15 H new ATOM 0 HH TYR A 116 3.585 -8.742 -15.099 1.00 0.32 H new ATOM 1750 N SER A 117 6.890 -14.473 -16.869 1.00 62.40 N ATOM 1751 CA SER A 117 7.537 -14.466 -15.562 1.00 41.11 C ATOM 1752 C SER A 117 7.221 -13.177 -14.808 1.00 1.43 C ATOM 1753 O SER A 117 7.296 -12.082 -15.367 1.00 74.14 O ATOM 1754 CB SER A 117 9.051 -14.622 -15.717 1.00 43.31 C ATOM 1755 OG SER A 117 9.566 -13.692 -16.655 1.00 60.44 O ATOM 0 H SER A 117 7.533 -14.401 -17.658 1.00 62.40 H new ATOM 0 HA SER A 117 7.150 -15.308 -14.987 1.00 41.11 H new ATOM 0 HB2 SER A 117 9.536 -14.476 -14.752 1.00 43.31 H new ATOM 0 HB3 SER A 117 9.284 -15.636 -16.040 1.00 43.31 H new ATOM 0 HG SER A 117 9.055 -12.858 -16.603 1.00 60.44 H new ATOM 1761 N THR A 118 6.869 -13.315 -13.534 1.00 44.23 N ATOM 1762 CA THR A 118 6.542 -12.165 -12.702 1.00 62.12 C ATOM 1763 C THR A 118 7.450 -12.093 -11.480 1.00 51.22 C ATOM 1764 O THR A 118 7.581 -13.063 -10.735 1.00 52.03 O ATOM 1765 CB THR A 118 5.074 -12.209 -12.235 1.00 41.11 C ATOM 1766 OG1 THR A 118 4.595 -13.558 -12.251 1.00 53.34 O ATOM 1767 CG2 THR A 118 4.197 -11.342 -13.126 1.00 30.23 C ATOM 0 H THR A 118 6.803 -14.213 -13.056 1.00 44.23 H new ATOM 0 HA THR A 118 6.694 -11.278 -13.316 1.00 62.12 H new ATOM 0 HB THR A 118 5.027 -11.820 -11.218 1.00 41.11 H new ATOM 0 HG1 THR A 118 3.662 -13.577 -11.952 1.00 53.34 H new ATOM 0 HG21 THR A 118 3.165 -11.389 -12.777 1.00 30.23 H new ATOM 0 HG22 THR A 118 4.547 -10.310 -13.088 1.00 30.23 H new ATOM 0 HG23 THR A 118 4.250 -11.705 -14.152 1.00 30.23 H new ATOM 1775 N MET A 119 8.074 -10.937 -11.279 1.00 51.10 N ATOM 1776 CA MET A 119 8.969 -10.739 -10.146 1.00 43.42 C ATOM 1777 C MET A 119 9.047 -9.264 -9.765 1.00 2.14 C ATOM 1778 O MET A 119 8.792 -8.387 -10.590 1.00 61.44 O ATOM 1779 CB MET A 119 10.367 -11.268 -10.473 1.00 20.41 C ATOM 1780 CG MET A 119 10.678 -12.606 -9.823 1.00 61.24 C ATOM 1781 SD MET A 119 12.217 -13.329 -10.423 1.00 43.35 S ATOM 1782 CE MET A 119 13.078 -13.621 -8.880 1.00 1.53 C ATOM 0 H MET A 119 7.976 -10.123 -11.886 1.00 51.10 H new ATOM 0 HA MET A 119 8.568 -11.294 -9.298 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.465 -11.367 -11.554 1.00 20.41 H new ATOM 0 HB3 MET A 119 11.108 -10.536 -10.151 1.00 20.41 H new ATOM 0 HG2 MET A 119 10.740 -12.475 -8.743 1.00 61.24 H new ATOM 0 HG3 MET A 119 9.858 -13.298 -10.014 1.00 61.24 H new ATOM 0 HE1 MET A 119 14.125 -13.847 -9.084 1.00 1.53 H new ATOM 0 HE2 MET A 119 13.014 -12.731 -8.254 1.00 1.53 H new ATOM 0 HE3 MET A 119 12.620 -14.463 -8.361 1.00 1.53 H new ATOM 1792 N ALA A 120 9.401 -8.998 -8.512 1.00 51.45 N ATOM 1793 CA ALA A 120 9.514 -7.629 -8.024 1.00 71.34 C ATOM 1794 C ALA A 120 10.801 -7.434 -7.231 1.00 72.32 C ATOM 1795 O ALA A 120 11.043 -8.124 -6.240 1.00 32.22 O ATOM 1796 CB ALA A 120 8.306 -7.272 -7.171 1.00 12.35 C ATOM 0 H ALA A 120 9.615 -9.713 -7.816 1.00 51.45 H new ATOM 0 HA ALA A 120 9.545 -6.963 -8.886 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.403 -6.247 -6.813 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.399 -7.363 -7.769 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.249 -7.950 -6.319 1.00 12.35 H new ATOM 1802 N VAL A 121 11.626 -6.489 -7.672 1.00 53.02 N ATOM 1803 CA VAL A 121 12.889 -6.203 -7.002 1.00 21.22 C ATOM 1804 C VAL A 121 12.900 -4.789 -6.432 1.00 45.24 C ATOM 1805 O VAL A 121 12.378 -3.857 -7.044 1.00 55.42 O ATOM 1806 CB VAL A 121 14.083 -6.368 -7.961 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.397 -6.245 -7.204 1.00 73.31 C ATOM 1808 CG2 VAL A 121 14.001 -7.701 -8.690 1.00 33.42 C ATOM 0 H VAL A 121 11.442 -5.909 -8.490 1.00 53.02 H new ATOM 0 HA VAL A 121 12.985 -6.921 -6.187 1.00 21.22 H new ATOM 0 HB VAL A 121 14.043 -5.571 -8.703 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.229 -6.364 -7.898 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.455 -5.264 -6.733 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.449 -7.019 -6.438 1.00 73.31 H new ATOM 0 HG21 VAL A 121 14.852 -7.801 -9.363 1.00 33.42 H new ATOM 0 HG22 VAL A 121 14.015 -8.514 -7.964 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.076 -7.745 -9.266 1.00 33.42 H new ATOM 1818 N VAL A 122 13.501 -4.636 -5.256 1.00 24.04 N ATOM 1819 CA VAL A 122 13.582 -3.335 -4.603 1.00 52.24 C ATOM 1820 C VAL A 122 15.018 -2.826 -4.570 1.00 2.02 C ATOM 1821 O VAL A 122 15.912 -3.485 -4.038 1.00 64.54 O ATOM 1822 CB VAL A 122 13.038 -3.394 -3.163 1.00 41.24 C ATOM 1823 CG1 VAL A 122 12.949 -1.997 -2.568 1.00 71.54 C ATOM 1824 CG2 VAL A 122 11.681 -4.081 -3.135 1.00 53.13 C ATOM 0 H VAL A 122 13.939 -5.397 -4.736 1.00 24.04 H new ATOM 0 HA VAL A 122 12.969 -2.649 -5.188 1.00 52.24 H new ATOM 0 HB VAL A 122 13.729 -3.978 -2.555 1.00 41.24 H new ATOM 0 HG11 VAL A 122 12.563 -2.059 -1.551 1.00 71.54 H new ATOM 0 HG12 VAL A 122 13.940 -1.544 -2.553 1.00 71.54 H new ATOM 0 HG13 VAL A 122 12.280 -1.386 -3.174 1.00 71.54 H new ATOM 0 HG21 VAL A 122 11.311 -4.114 -2.110 1.00 53.13 H new ATOM 0 HG22 VAL A 122 10.979 -3.525 -3.756 1.00 53.13 H new ATOM 0 HG23 VAL A 122 11.779 -5.097 -3.518 1.00 53.13 H new ATOM 1834 N THR A 123 15.235 -1.646 -5.143 1.00 65.41 N ATOM 1835 CA THR A 123 16.564 -1.046 -5.182 1.00 45.23 C ATOM 1836 C THR A 123 16.790 -0.136 -3.980 1.00 73.22 C ATOM 1837 O THR A 123 15.968 0.728 -3.681 1.00 50.41 O ATOM 1838 CB THR A 123 16.779 -0.236 -6.474 1.00 11.34 C ATOM 1839 OG1 THR A 123 15.853 0.855 -6.527 1.00 23.43 O ATOM 1840 CG2 THR A 123 16.601 -1.118 -7.701 1.00 1.51 C ATOM 0 H THR A 123 14.507 -1.086 -5.587 1.00 65.41 H new ATOM 0 HA THR A 123 17.282 -1.866 -5.155 1.00 45.23 H new ATOM 0 HB THR A 123 17.798 0.152 -6.469 1.00 11.34 H new ATOM 0 HG1 THR A 123 15.546 1.068 -5.621 1.00 23.43 H new ATOM 0 HG21 THR A 123 16.758 -0.524 -8.602 1.00 1.51 H new ATOM 0 HG22 THR A 123 17.326 -1.932 -7.672 1.00 1.51 H new ATOM 0 HG23 THR A 123 15.592 -1.531 -7.709 1.00 1.51 H new ATOM 1848 N ASN A 124 17.914 -0.334 -3.297 1.00 2.14 N ATOM 1849 CA ASN A 124 18.248 0.471 -2.127 1.00 14.35 C ATOM 1850 C ASN A 124 18.277 1.955 -2.478 1.00 21.24 C ATOM 1851 O ASN A 124 18.387 2.341 -3.643 1.00 34.35 O ATOM 1852 CB ASN A 124 19.603 0.043 -1.559 1.00 43.11 C ATOM 1853 CG ASN A 124 19.479 -1.083 -0.552 1.00 33.41 C ATOM 1854 OD1 ASN A 124 18.978 -0.888 0.555 1.00 65.11 O ATOM 1855 ND2 ASN A 124 19.935 -2.271 -0.932 1.00 53.22 N ATOM 0 H ASN A 124 18.608 -1.044 -3.533 1.00 2.14 H new ATOM 0 HA ASN A 124 17.477 0.310 -1.373 1.00 14.35 H new ATOM 0 HB2 ASN A 124 20.252 -0.273 -2.375 1.00 43.11 H new ATOM 0 HB3 ASN A 124 20.082 0.900 -1.085 1.00 43.11 H new ATOM 0 HD21 ASN A 124 19.877 -3.067 -0.296 1.00 53.22 H new ATOM 0 HD22 ASN A 124 20.343 -2.388 -1.860 1.00 53.22 H new ATOM 1862 N PRO A 125 18.177 2.808 -1.449 1.00 1.24 N ATOM 1863 CA PRO A 125 18.189 4.264 -1.624 1.00 4.12 C ATOM 1864 C PRO A 125 19.558 4.784 -2.049 1.00 22.32 C ATOM 1865 O PRO A 125 20.512 4.762 -1.270 1.00 40.34 O ATOM 1866 CB PRO A 125 17.825 4.790 -0.233 1.00 23.43 C ATOM 1867 CG PRO A 125 18.248 3.712 0.704 1.00 21.31 C ATOM 1868 CD PRO A 125 18.042 2.418 -0.036 1.00 10.43 C ATOM 0 HA PRO A 125 17.506 4.587 -2.409 1.00 4.12 H new ATOM 0 HB2 PRO A 125 18.340 5.726 -0.017 1.00 23.43 H new ATOM 0 HB3 PRO A 125 16.756 4.988 -0.152 1.00 23.43 H new ATOM 0 HG2 PRO A 125 19.292 3.834 0.994 1.00 21.31 H new ATOM 0 HG3 PRO A 125 17.657 3.737 1.620 1.00 21.31 H new ATOM 0 HD2 PRO A 125 18.783 1.671 0.247 1.00 10.43 H new ATOM 0 HD3 PRO A 125 17.062 1.989 0.170 1.00 10.43 H new ATOM 1876 N LYS A 126 19.649 5.253 -3.288 1.00 1.50 N ATOM 1877 CA LYS A 126 20.900 5.783 -3.818 1.00 65.42 C ATOM 1878 C LYS A 126 21.072 7.251 -3.443 1.00 33.33 C ATOM 1879 O LYS A 126 22.194 7.750 -3.356 1.00 12.21 O ATOM 1880 CB LYS A 126 20.941 5.625 -5.339 1.00 4.33 C ATOM 1881 CG LYS A 126 19.834 6.378 -6.058 1.00 21.32 C ATOM 1882 CD LYS A 126 20.263 7.792 -6.414 1.00 73.25 C ATOM 1883 CE LYS A 126 19.626 8.256 -7.715 1.00 21.43 C ATOM 1884 NZ LYS A 126 20.475 9.254 -8.423 1.00 72.12 N1+ ATOM 0 H LYS A 126 18.870 5.277 -3.946 1.00 1.50 H new ATOM 0 HA LYS A 126 21.721 5.216 -3.378 1.00 65.42 H new ATOM 0 HB2 LYS A 126 21.906 5.975 -5.707 1.00 4.33 H new ATOM 0 HB3 LYS A 126 20.870 4.566 -5.588 1.00 4.33 H new ATOM 0 HG2 LYS A 126 19.557 5.841 -6.965 1.00 21.32 H new ATOM 0 HG3 LYS A 126 18.947 6.414 -5.426 1.00 21.32 H new ATOM 0 HD2 LYS A 126 19.985 8.472 -5.609 1.00 73.25 H new ATOM 0 HD3 LYS A 126 21.349 7.832 -6.504 1.00 73.25 H new ATOM 0 HE2 LYS A 126 19.458 7.396 -8.364 1.00 21.43 H new ATOM 0 HE3 LYS A 126 18.650 8.693 -7.506 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 20.006 9.545 -9.305 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 20.615 10.085 -7.814 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 21.398 8.829 -8.646 1.00 72.12 H new ATOM 1898 N GLU A 127 19.954 7.935 -3.220 1.00 63.52 N ATOM 1899 CA GLU A 127 19.984 9.346 -2.853 1.00 4.22 C ATOM 1900 C GLU A 127 20.654 9.542 -1.497 1.00 54.22 C ATOM 1901 O GLU A 127 21.096 10.641 -1.165 1.00 33.32 O ATOM 1902 CB GLU A 127 18.565 9.917 -2.820 1.00 12.12 C ATOM 1903 CG GLU A 127 17.830 9.799 -4.145 1.00 23.42 C ATOM 1904 CD GLU A 127 16.606 10.691 -4.215 1.00 72.31 C ATOM 1905 OE1 GLU A 127 16.350 11.425 -3.238 1.00 44.44 O1- ATOM 1906 OE2 GLU A 127 15.905 10.655 -5.247 1.00 54.12 O ATOM 0 H GLU A 127 19.018 7.536 -3.287 1.00 63.52 H new ATOM 0 HA GLU A 127 20.565 9.878 -3.606 1.00 4.22 H new ATOM 0 HB2 GLU A 127 17.993 9.401 -2.049 1.00 12.12 H new ATOM 0 HB3 GLU A 127 18.612 10.967 -2.532 1.00 12.12 H new ATOM 0 HG2 GLU A 127 18.510 10.057 -4.957 1.00 23.42 H new ATOM 0 HG3 GLU A 127 17.529 8.763 -4.298 1.00 23.42 H new TER 1913 GLU A 127