USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 964 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 114 TYR OH : rot 15:sc= 0.65 USER MOD Set 1.2: A 118 GLN : amide:sc= 0.693 K(o=1.3,f=0.34) USER MOD Set 2.1: A 24 ASN : amide:sc= -0.238 K(o=-0.81,f=-5.2!) USER MOD Set 2.2: A 107 MET CE :methyl 130:sc= -0.574 (180deg=-1.62) USER MOD Single : A 1 MET CE :methyl -149:sc= -0.495 (180deg=-2.24!) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.46 (180deg=0.0937) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 103:sc= 0.145 USER MOD Single : A 39 GLN : amide:sc= -0.0156 K(o=-0.016,f=-1.9) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 6:sc= 0.174 USER MOD Single : A 43 LYS NZ :NH3+ -119:sc= 0 (180deg=-1.48) USER MOD Single : A 44 THR OG1 : rot 170:sc= 0.419 USER MOD Single : A 53 GLN : amide:sc= -0.0123 K(o=-0.012,f=-0.64) USER MOD Single : A 55 TYR OH : rot 15:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.277 USER MOD Single : A 68 THR OG1 : rot -170:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 87:sc= 1.3 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0.0387 USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.083) USER MOD Single : A 81 GLN : amide:sc= -0.135 K(o=-0.14,f=-2.9!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot -30:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.441 K(o=-0.44,f=-3.9) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -76:sc= 0.838 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 109 ASN : amide:sc= -1.02 X(o=-1,f=-0.61) USER MOD Single : A 117 SER OG : rot 90:sc= 0.0256 USER MOD Single : A 119 GLN : amide:sc= -2.5 K(o=-2.5,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.430 -9.055 -6.969 1.00 34.44 N ATOM 2 CA MET A 1 -5.127 -9.652 -8.281 1.00 42.21 C ATOM 3 C MET A 1 -3.676 -9.336 -8.651 1.00 44.25 C ATOM 4 O MET A 1 -2.873 -9.099 -7.743 1.00 63.02 O ATOM 5 CB MET A 1 -6.179 -9.273 -9.336 1.00 13.32 C ATOM 6 CG MET A 1 -6.313 -7.770 -9.592 1.00 4.33 C ATOM 7 SD MET A 1 -7.961 -7.326 -10.180 1.00 10.54 S ATOM 8 CE MET A 1 -8.234 -5.848 -9.173 1.00 63.15 C ATOM 0 H1 MET A 1 -5.802 -9.788 -6.332 1.00 34.44 H new ATOM 0 H2 MET A 1 -4.562 -8.651 -6.563 1.00 34.44 H new ATOM 0 H3 MET A 1 -6.140 -8.304 -7.085 1.00 34.44 H new ATOM 0 HA MET A 1 -5.201 -10.738 -8.234 1.00 42.21 H new ATOM 0 HB2 MET A 1 -5.927 -9.767 -10.275 1.00 13.32 H new ATOM 0 HB3 MET A 1 -7.147 -9.662 -9.021 1.00 13.32 H new ATOM 0 HG2 MET A 1 -6.098 -7.225 -8.673 1.00 4.33 H new ATOM 0 HG3 MET A 1 -5.570 -7.460 -10.327 1.00 4.33 H new ATOM 0 HE1 MET A 1 -9.298 -5.745 -8.959 1.00 63.15 H new ATOM 0 HE2 MET A 1 -7.683 -5.939 -8.237 1.00 63.15 H new ATOM 0 HE3 MET A 1 -7.886 -4.969 -9.715 1.00 63.15 H new ATOM 18 N GLY A 2 -3.322 -9.315 -9.941 1.00 40.34 N ATOM 19 CA GLY A 2 -1.992 -9.016 -10.450 1.00 52.32 C ATOM 20 C GLY A 2 -2.041 -7.736 -11.270 1.00 2.20 C ATOM 21 O GLY A 2 -1.915 -7.761 -12.495 1.00 54.14 O ATOM 0 H GLY A 2 -3.989 -9.516 -10.686 1.00 40.34 H new ATOM 0 HA2 GLY A 2 -1.291 -8.905 -9.623 1.00 52.32 H new ATOM 0 HA3 GLY A 2 -1.632 -9.841 -11.064 1.00 52.32 H new ATOM 25 N ILE A 3 -2.267 -6.620 -10.584 1.00 34.34 N ATOM 26 CA ILE A 3 -2.167 -5.271 -11.145 1.00 75.40 C ATOM 27 C ILE A 3 -0.673 -4.928 -11.235 1.00 33.54 C ATOM 28 O ILE A 3 0.149 -5.601 -10.608 1.00 41.15 O ATOM 29 CB ILE A 3 -2.952 -4.244 -10.283 1.00 11.33 C ATOM 30 CG1 ILE A 3 -4.300 -4.827 -9.812 1.00 50.21 C ATOM 31 CG2 ILE A 3 -3.249 -2.942 -11.061 1.00 21.44 C ATOM 32 CD1 ILE A 3 -5.095 -3.868 -8.921 1.00 41.44 C ATOM 0 H ILE A 3 -2.531 -6.625 -9.599 1.00 34.34 H new ATOM 0 HA ILE A 3 -2.617 -5.229 -12.137 1.00 75.40 H new ATOM 0 HB ILE A 3 -2.315 -4.021 -9.427 1.00 11.33 H new ATOM 0 HG12 ILE A 3 -4.901 -5.085 -10.684 1.00 50.21 H new ATOM 0 HG13 ILE A 3 -4.117 -5.752 -9.266 1.00 50.21 H new ATOM 0 HG21 ILE A 3 -3.799 -2.253 -10.420 1.00 21.44 H new ATOM 0 HG22 ILE A 3 -2.311 -2.480 -11.370 1.00 21.44 H new ATOM 0 HG23 ILE A 3 -3.847 -3.173 -11.943 1.00 21.44 H new ATOM 0 HD11 ILE A 3 -6.032 -4.339 -8.625 1.00 41.44 H new ATOM 0 HD12 ILE A 3 -4.512 -3.630 -8.032 1.00 41.44 H new ATOM 0 HD13 ILE A 3 -5.308 -2.952 -9.472 1.00 41.44 H new ATOM 44 N THR A 4 -0.339 -3.885 -11.985 1.00 42.13 N ATOM 45 CA THR A 4 0.975 -3.250 -12.055 1.00 43.13 C ATOM 46 C THR A 4 0.944 -1.980 -11.191 1.00 21.53 C ATOM 47 O THR A 4 -0.111 -1.352 -11.101 1.00 24.22 O ATOM 48 CB THR A 4 1.238 -2.869 -13.522 1.00 53.22 C ATOM 49 OG1 THR A 4 0.998 -3.969 -14.375 1.00 74.42 O ATOM 50 CG2 THR A 4 2.664 -2.401 -13.787 1.00 61.41 C ATOM 0 H THR A 4 -1.017 -3.432 -12.598 1.00 42.13 H new ATOM 0 HA THR A 4 1.757 -3.919 -11.696 1.00 43.13 H new ATOM 0 HB THR A 4 0.555 -2.043 -13.724 1.00 53.22 H new ATOM 0 HG1 THR A 4 1.169 -3.706 -15.304 1.00 74.42 H new ATOM 0 HG21 THR A 4 2.774 -2.150 -14.842 1.00 61.41 H new ATOM 0 HG22 THR A 4 2.877 -1.521 -13.180 1.00 61.41 H new ATOM 0 HG23 THR A 4 3.362 -3.197 -13.529 1.00 61.41 H new ATOM 58 N ILE A 5 2.079 -1.549 -10.627 1.00 74.24 N ATOM 59 CA ILE A 5 2.271 -0.191 -10.119 1.00 5.32 C ATOM 60 C ILE A 5 3.361 0.471 -10.963 1.00 34.33 C ATOM 61 O ILE A 5 4.245 -0.207 -11.501 1.00 54.11 O ATOM 62 CB ILE A 5 2.681 -0.182 -8.624 1.00 71.30 C ATOM 63 CG1 ILE A 5 1.940 -1.216 -7.763 1.00 62.24 C ATOM 64 CG2 ILE A 5 2.525 1.212 -7.994 1.00 12.41 C ATOM 65 CD1 ILE A 5 0.436 -0.999 -7.655 1.00 3.03 C ATOM 0 H ILE A 5 2.899 -2.144 -10.511 1.00 74.24 H new ATOM 0 HA ILE A 5 1.330 0.354 -10.191 1.00 5.32 H new ATOM 0 HB ILE A 5 3.734 -0.464 -8.631 1.00 71.30 H new ATOM 0 HG12 ILE A 5 2.121 -2.208 -8.176 1.00 62.24 H new ATOM 0 HG13 ILE A 5 2.367 -1.206 -6.760 1.00 62.24 H new ATOM 0 HG21 ILE A 5 2.823 1.173 -6.946 1.00 12.41 H new ATOM 0 HG22 ILE A 5 3.157 1.924 -8.525 1.00 12.41 H new ATOM 0 HG23 ILE A 5 1.484 1.528 -8.064 1.00 12.41 H new ATOM 0 HD11 ILE A 5 0.000 -1.777 -7.028 1.00 3.03 H new ATOM 0 HD12 ILE A 5 0.240 -0.023 -7.211 1.00 3.03 H new ATOM 0 HD13 ILE A 5 -0.010 -1.041 -8.649 1.00 3.03 H new ATOM 77 N THR A 6 3.327 1.795 -11.010 1.00 61.34 N ATOM 78 CA THR A 6 4.328 2.640 -11.639 1.00 23.14 C ATOM 79 C THR A 6 4.875 3.648 -10.627 1.00 43.11 C ATOM 80 O THR A 6 4.202 4.023 -9.666 1.00 10.44 O ATOM 81 CB THR A 6 3.698 3.315 -12.872 1.00 12.33 C ATOM 82 OG1 THR A 6 2.339 3.638 -12.635 1.00 44.15 O ATOM 83 CG2 THR A 6 3.746 2.361 -14.061 1.00 24.14 C ATOM 0 H THR A 6 2.567 2.332 -10.592 1.00 61.34 H new ATOM 0 HA THR A 6 5.178 2.048 -11.977 1.00 23.14 H new ATOM 0 HB THR A 6 4.263 4.225 -13.077 1.00 12.33 H new ATOM 0 HG1 THR A 6 1.961 4.067 -13.431 1.00 44.15 H new ATOM 0 HG21 THR A 6 3.300 2.842 -14.931 1.00 24.14 H new ATOM 0 HG22 THR A 6 4.782 2.104 -14.280 1.00 24.14 H new ATOM 0 HG23 THR A 6 3.190 1.454 -13.823 1.00 24.14 H new ATOM 91 N ASP A 7 6.111 4.091 -10.854 1.00 55.34 N ATOM 92 CA ASP A 7 6.813 5.116 -10.100 1.00 41.11 C ATOM 93 C ASP A 7 5.992 6.400 -10.049 1.00 73.45 C ATOM 94 O ASP A 7 6.023 7.082 -9.028 1.00 31.33 O ATOM 95 CB ASP A 7 8.190 5.394 -10.729 1.00 23.20 C ATOM 96 CG ASP A 7 9.169 4.216 -10.700 1.00 51.40 C ATOM 97 OD1 ASP A 7 8.804 3.091 -10.292 1.00 0.35 O ATOM 98 OD2 ASP A 7 10.300 4.381 -11.213 1.00 44.41 O ATOM 0 H ASP A 7 6.678 3.719 -11.615 1.00 55.34 H new ATOM 0 HA ASP A 7 6.957 4.755 -9.082 1.00 41.11 H new ATOM 0 HB2 ASP A 7 8.044 5.699 -11.765 1.00 23.20 H new ATOM 0 HB3 ASP A 7 8.645 6.237 -10.210 1.00 23.20 H new ATOM 103 N GLU A 8 5.228 6.711 -11.106 1.00 54.04 N ATOM 104 CA GLU A 8 4.357 7.882 -11.117 1.00 60.21 C ATOM 105 C GLU A 8 3.288 7.756 -10.022 1.00 40.45 C ATOM 106 O GLU A 8 3.075 8.686 -9.238 1.00 43.24 O ATOM 107 CB GLU A 8 3.771 8.170 -12.520 1.00 33.34 C ATOM 108 CG GLU A 8 2.492 7.391 -12.867 1.00 64.01 C ATOM 109 CD GLU A 8 1.858 7.725 -14.221 1.00 34.31 C ATOM 110 OE1 GLU A 8 1.791 8.917 -14.595 1.00 4.11 O ATOM 111 OE2 GLU A 8 1.323 6.786 -14.865 1.00 51.13 O ATOM 0 H GLU A 8 5.200 6.162 -11.965 1.00 54.04 H new ATOM 0 HA GLU A 8 4.958 8.760 -10.883 1.00 60.21 H new ATOM 0 HB2 GLU A 8 3.560 9.237 -12.596 1.00 33.34 H new ATOM 0 HB3 GLU A 8 4.531 7.941 -13.268 1.00 33.34 H new ATOM 0 HG2 GLU A 8 2.721 6.325 -12.846 1.00 64.01 H new ATOM 0 HG3 GLU A 8 1.754 7.574 -12.086 1.00 64.01 H new ATOM 118 N LEU A 9 2.658 6.575 -9.952 1.00 51.25 N ATOM 119 CA LEU A 9 1.612 6.237 -9.004 1.00 33.42 C ATOM 120 C LEU A 9 2.116 6.348 -7.583 1.00 73.31 C ATOM 121 O LEU A 9 1.381 6.754 -6.691 1.00 15.02 O ATOM 122 CB LEU A 9 1.063 4.847 -9.262 1.00 43.31 C ATOM 123 CG LEU A 9 -0.328 5.013 -9.866 1.00 43.12 C ATOM 124 CD1 LEU A 9 -1.407 5.531 -8.902 1.00 12.13 C ATOM 125 CD2 LEU A 9 -0.318 5.703 -11.229 1.00 13.42 C ATOM 0 H LEU A 9 2.879 5.805 -10.584 1.00 51.25 H new ATOM 0 HA LEU A 9 0.801 6.952 -9.141 1.00 33.42 H new ATOM 0 HB2 LEU A 9 1.714 4.297 -9.942 1.00 43.31 H new ATOM 0 HB3 LEU A 9 1.014 4.275 -8.335 1.00 43.31 H new ATOM 0 HG LEU A 9 -0.653 3.991 -10.063 1.00 43.12 H new ATOM 0 HD11 LEU A 9 -2.357 5.613 -9.430 1.00 12.13 H new ATOM 0 HD12 LEU A 9 -1.514 4.837 -8.068 1.00 12.13 H new ATOM 0 HD13 LEU A 9 -1.116 6.511 -8.523 1.00 12.13 H new ATOM 0 HD21 LEU A 9 -1.339 5.789 -11.601 1.00 13.42 H new ATOM 0 HD22 LEU A 9 0.117 6.698 -11.130 1.00 13.42 H new ATOM 0 HD23 LEU A 9 0.275 5.116 -11.930 1.00 13.42 H new ATOM 137 N LEU A 10 3.355 5.917 -7.372 1.00 51.31 N ATOM 138 CA LEU A 10 4.025 5.926 -6.087 1.00 70.31 C ATOM 139 C LEU A 10 4.318 7.371 -5.691 1.00 41.55 C ATOM 140 O LEU A 10 3.937 7.796 -4.597 1.00 12.41 O ATOM 141 CB LEU A 10 5.284 5.053 -6.182 1.00 1.31 C ATOM 142 CG LEU A 10 4.925 3.556 -6.306 1.00 24.22 C ATOM 143 CD1 LEU A 10 6.024 2.775 -7.027 1.00 54.43 C ATOM 144 CD2 LEU A 10 4.676 2.942 -4.926 1.00 32.12 C ATOM 0 H LEU A 10 3.936 5.540 -8.120 1.00 51.31 H new ATOM 0 HA LEU A 10 3.399 5.503 -5.302 1.00 70.31 H new ATOM 0 HB2 LEU A 10 5.876 5.359 -7.044 1.00 1.31 H new ATOM 0 HB3 LEU A 10 5.903 5.208 -5.299 1.00 1.31 H new ATOM 0 HG LEU A 10 4.012 3.490 -6.897 1.00 24.22 H new ATOM 0 HD11 LEU A 10 5.739 1.725 -7.097 1.00 54.43 H new ATOM 0 HD12 LEU A 10 6.161 3.181 -8.029 1.00 54.43 H new ATOM 0 HD13 LEU A 10 6.957 2.861 -6.470 1.00 54.43 H new ATOM 0 HD21 LEU A 10 4.425 1.887 -5.037 1.00 32.12 H new ATOM 0 HD22 LEU A 10 5.575 3.039 -4.317 1.00 32.12 H new ATOM 0 HD23 LEU A 10 3.851 3.462 -4.440 1.00 32.12 H new ATOM 156 N TRP A 11 4.952 8.151 -6.574 1.00 72.44 N ATOM 157 CA TRP A 11 5.242 9.556 -6.318 1.00 1.13 C ATOM 158 C TRP A 11 3.983 10.362 -6.023 1.00 45.44 C ATOM 159 O TRP A 11 4.047 11.267 -5.194 1.00 2.14 O ATOM 160 CB TRP A 11 6.006 10.195 -7.480 1.00 44.43 C ATOM 161 CG TRP A 11 7.493 10.118 -7.355 1.00 21.41 C ATOM 162 CD1 TRP A 11 8.324 9.481 -8.206 1.00 62.15 C ATOM 163 CD2 TRP A 11 8.341 10.703 -6.321 1.00 21.34 C ATOM 164 NE1 TRP A 11 9.622 9.627 -7.766 1.00 23.31 N ATOM 165 CE2 TRP A 11 9.687 10.318 -6.577 1.00 30.33 C ATOM 166 CE3 TRP A 11 8.111 11.520 -5.193 1.00 13.23 C ATOM 167 CZ2 TRP A 11 10.742 10.655 -5.717 1.00 1.40 C ATOM 168 CZ3 TRP A 11 9.167 11.902 -4.342 1.00 32.55 C ATOM 169 CH2 TRP A 11 10.478 11.457 -4.593 1.00 35.15 C ATOM 0 H TRP A 11 5.276 7.821 -7.483 1.00 72.44 H new ATOM 0 HA TRP A 11 5.873 9.577 -5.429 1.00 1.13 H new ATOM 0 HB2 TRP A 11 5.706 9.709 -8.408 1.00 44.43 H new ATOM 0 HB3 TRP A 11 5.714 11.242 -7.560 1.00 44.43 H new ATOM 0 HD1 TRP A 11 8.020 8.942 -9.091 1.00 62.15 H new ATOM 0 HE1 TRP A 11 10.437 9.266 -8.262 1.00 23.31 H new ATOM 0 HE3 TRP A 11 7.108 11.858 -4.979 1.00 13.23 H new ATOM 0 HZ2 TRP A 11 11.744 10.303 -5.915 1.00 1.40 H new ATOM 0 HZ3 TRP A 11 8.969 12.539 -3.493 1.00 32.55 H new ATOM 0 HH2 TRP A 11 11.280 11.731 -3.923 1.00 35.15 H new ATOM 180 N ALA A 12 2.849 10.042 -6.648 1.00 54.05 N ATOM 181 CA ALA A 12 1.602 10.766 -6.440 1.00 33.13 C ATOM 182 C ALA A 12 1.216 10.810 -4.957 1.00 51.52 C ATOM 183 O ALA A 12 0.767 11.854 -4.469 1.00 32.43 O ATOM 184 CB ALA A 12 0.510 10.119 -7.291 1.00 15.02 C ATOM 0 H ALA A 12 2.773 9.272 -7.313 1.00 54.05 H new ATOM 0 HA ALA A 12 1.730 11.803 -6.751 1.00 33.13 H new ATOM 0 HB1 ALA A 12 -0.429 10.652 -7.144 1.00 15.02 H new ATOM 0 HB2 ALA A 12 0.793 10.165 -8.343 1.00 15.02 H new ATOM 0 HB3 ALA A 12 0.386 9.078 -6.994 1.00 15.02 H new ATOM 190 N ILE A 13 1.423 9.706 -4.231 1.00 52.42 N ATOM 191 CA ILE A 13 1.106 9.621 -2.814 1.00 70.35 C ATOM 192 C ILE A 13 2.140 10.418 -2.004 1.00 73.43 C ATOM 193 O ILE A 13 1.772 11.161 -1.093 1.00 53.05 O ATOM 194 CB ILE A 13 1.024 8.150 -2.363 1.00 13.42 C ATOM 195 CG1 ILE A 13 0.034 7.322 -3.211 1.00 40.23 C ATOM 196 CG2 ILE A 13 0.532 8.097 -0.919 1.00 65.54 C ATOM 197 CD1 ILE A 13 0.708 6.106 -3.816 1.00 53.51 C ATOM 0 H ILE A 13 1.816 8.848 -4.617 1.00 52.42 H new ATOM 0 HA ILE A 13 0.126 10.063 -2.634 1.00 70.35 H new ATOM 0 HB ILE A 13 2.023 7.729 -2.477 1.00 13.42 H new ATOM 0 HG12 ILE A 13 -0.803 7.004 -2.589 1.00 40.23 H new ATOM 0 HG13 ILE A 13 -0.377 7.945 -4.005 1.00 40.23 H new ATOM 0 HG21 ILE A 13 0.472 7.059 -0.593 1.00 65.54 H new ATOM 0 HG22 ILE A 13 1.227 8.639 -0.278 1.00 65.54 H new ATOM 0 HG23 ILE A 13 -0.455 8.556 -0.854 1.00 65.54 H new ATOM 0 HD11 ILE A 13 -0.016 5.545 -4.407 1.00 53.51 H new ATOM 0 HD12 ILE A 13 1.529 6.426 -4.457 1.00 53.51 H new ATOM 0 HD13 ILE A 13 1.096 5.471 -3.019 1.00 53.51 H new ATOM 209 N LEU A 14 3.438 10.257 -2.292 1.00 54.22 N ATOM 210 CA LEU A 14 4.526 10.988 -1.659 1.00 50.44 C ATOM 211 C LEU A 14 4.328 12.495 -1.782 1.00 52.24 C ATOM 212 O LEU A 14 4.569 13.207 -0.808 1.00 40.32 O ATOM 213 CB LEU A 14 5.849 10.571 -2.317 1.00 63.33 C ATOM 214 CG LEU A 14 6.466 9.290 -1.740 1.00 64.53 C ATOM 215 CD1 LEU A 14 5.512 8.129 -1.496 1.00 53.53 C ATOM 216 CD2 LEU A 14 7.586 8.811 -2.668 1.00 51.40 C ATOM 0 H LEU A 14 3.762 9.592 -2.994 1.00 54.22 H new ATOM 0 HA LEU A 14 4.544 10.747 -0.596 1.00 50.44 H new ATOM 0 HB2 LEU A 14 5.681 10.430 -3.385 1.00 63.33 H new ATOM 0 HB3 LEU A 14 6.566 11.385 -2.211 1.00 63.33 H new ATOM 0 HG LEU A 14 6.824 9.579 -0.752 1.00 64.53 H new ATOM 0 HD11 LEU A 14 6.065 7.283 -1.088 1.00 53.53 H new ATOM 0 HD12 LEU A 14 4.741 8.434 -0.788 1.00 53.53 H new ATOM 0 HD13 LEU A 14 5.045 7.838 -2.437 1.00 53.53 H new ATOM 0 HD21 LEU A 14 8.029 7.901 -2.264 1.00 51.40 H new ATOM 0 HD22 LEU A 14 7.176 8.607 -3.657 1.00 51.40 H new ATOM 0 HD23 LEU A 14 8.351 9.584 -2.744 1.00 51.40 H new ATOM 228 N LYS A 15 3.911 12.978 -2.958 1.00 52.52 N ATOM 229 CA LYS A 15 3.610 14.383 -3.178 1.00 61.24 C ATOM 230 C LYS A 15 2.384 14.759 -2.360 1.00 50.20 C ATOM 231 O LYS A 15 2.544 15.300 -1.262 1.00 53.53 O ATOM 232 CB LYS A 15 3.453 14.718 -4.679 1.00 4.34 C ATOM 233 CG LYS A 15 4.733 14.594 -5.526 1.00 31.45 C ATOM 234 CD LYS A 15 5.956 15.264 -4.889 1.00 2.25 C ATOM 235 CE LYS A 15 7.103 15.381 -5.896 1.00 55.21 C ATOM 236 NZ LYS A 15 7.086 16.661 -6.636 1.00 11.11 N ATOM 0 H LYS A 15 3.775 12.395 -3.784 1.00 52.52 H new ATOM 0 HA LYS A 15 4.452 14.987 -2.839 1.00 61.24 H new ATOM 0 HB2 LYS A 15 2.694 14.060 -5.102 1.00 4.34 H new ATOM 0 HB3 LYS A 15 3.077 15.737 -4.768 1.00 4.34 H new ATOM 0 HG2 LYS A 15 4.951 13.538 -5.689 1.00 31.45 H new ATOM 0 HG3 LYS A 15 4.555 15.037 -6.506 1.00 31.45 H new ATOM 0 HD2 LYS A 15 5.684 16.255 -4.525 1.00 2.25 H new ATOM 0 HD3 LYS A 15 6.283 14.686 -4.025 1.00 2.25 H new ATOM 0 HE2 LYS A 15 8.053 15.282 -5.371 1.00 55.21 H new ATOM 0 HE3 LYS A 15 7.044 14.555 -6.605 1.00 55.21 H new ATOM 0 HZ1 LYS A 15 7.883 16.687 -7.303 1.00 11.11 H new ATOM 0 HZ2 LYS A 15 6.192 16.747 -7.161 1.00 11.11 H new ATOM 0 HZ3 LYS A 15 7.170 17.451 -5.965 1.00 11.11 H new ATOM 250 N ASP A 16 1.174 14.532 -2.880 1.00 51.33 N ATOM 251 CA ASP A 16 -0.068 15.016 -2.265 1.00 63.42 C ATOM 252 C ASP A 16 -1.336 14.680 -3.055 1.00 52.31 C ATOM 253 O ASP A 16 -2.421 15.041 -2.600 1.00 15.24 O ATOM 254 CB ASP A 16 -0.029 16.556 -2.088 1.00 22.31 C ATOM 255 CG ASP A 16 -0.243 17.035 -0.651 1.00 31.02 C ATOM 256 OD1 ASP A 16 -0.603 16.259 0.268 1.00 13.41 O ATOM 257 OD2 ASP A 16 0.015 18.234 -0.400 1.00 1.05 O ATOM 0 H ASP A 16 1.027 14.006 -3.742 1.00 51.33 H new ATOM 0 HA ASP A 16 -0.118 14.498 -1.307 1.00 63.42 H new ATOM 0 HB2 ASP A 16 0.934 16.925 -2.441 1.00 22.31 H new ATOM 0 HB3 ASP A 16 -0.794 17.002 -2.724 1.00 22.31 H new ATOM 262 N GLU A 17 -1.229 14.074 -4.240 1.00 74.31 N ATOM 263 CA GLU A 17 -2.288 13.943 -5.210 1.00 21.22 C ATOM 264 C GLU A 17 -3.311 12.912 -4.734 1.00 31.04 C ATOM 265 O GLU A 17 -4.520 13.168 -4.760 1.00 42.50 O ATOM 266 CB GLU A 17 -1.575 13.525 -6.504 1.00 13.31 C ATOM 267 CG GLU A 17 -2.554 13.057 -7.562 1.00 44.31 C ATOM 268 CD GLU A 17 -1.880 12.444 -8.784 1.00 72.32 C ATOM 269 OE1 GLU A 17 -0.990 13.087 -9.385 1.00 23.33 O ATOM 270 OE2 GLU A 17 -2.232 11.291 -9.117 1.00 32.14 O ATOM 0 H GLU A 17 -0.357 13.646 -4.551 1.00 74.31 H new ATOM 0 HA GLU A 17 -2.856 14.861 -5.362 1.00 21.22 H new ATOM 0 HB2 GLU A 17 -0.999 14.366 -6.889 1.00 13.31 H new ATOM 0 HB3 GLU A 17 -0.866 12.726 -6.286 1.00 13.31 H new ATOM 0 HG2 GLU A 17 -3.229 12.323 -7.122 1.00 44.31 H new ATOM 0 HG3 GLU A 17 -3.165 13.902 -7.879 1.00 44.31 H new ATOM 277 N LEU A 18 -2.830 11.734 -4.316 1.00 4.44 N ATOM 278 CA LEU A 18 -3.708 10.768 -3.682 1.00 74.01 C ATOM 279 C LEU A 18 -4.208 11.386 -2.394 1.00 3.53 C ATOM 280 O LEU A 18 -3.549 12.213 -1.765 1.00 2.03 O ATOM 281 CB LEU A 18 -3.018 9.437 -3.361 1.00 62.01 C ATOM 282 CG LEU A 18 -3.145 8.342 -4.426 1.00 31.23 C ATOM 283 CD1 LEU A 18 -4.564 7.835 -4.629 1.00 52.45 C ATOM 284 CD2 LEU A 18 -2.491 8.738 -5.750 1.00 72.24 C ATOM 0 H LEU A 18 -1.858 11.440 -4.407 1.00 4.44 H new ATOM 0 HA LEU A 18 -4.516 10.539 -4.377 1.00 74.01 H new ATOM 0 HB2 LEU A 18 -1.959 9.631 -3.192 1.00 62.01 H new ATOM 0 HB3 LEU A 18 -3.426 9.055 -2.425 1.00 62.01 H new ATOM 0 HG LEU A 18 -2.587 7.497 -4.024 1.00 31.23 H new ATOM 0 HD11 LEU A 18 -4.568 7.063 -5.398 1.00 52.45 H new ATOM 0 HD12 LEU A 18 -4.939 7.418 -3.694 1.00 52.45 H new ATOM 0 HD13 LEU A 18 -5.204 8.660 -4.940 1.00 52.45 H new ATOM 0 HD21 LEU A 18 -2.609 7.928 -6.470 1.00 72.24 H new ATOM 0 HD22 LEU A 18 -2.967 9.639 -6.136 1.00 72.24 H new ATOM 0 HD23 LEU A 18 -1.430 8.929 -5.589 1.00 72.24 H new ATOM 296 N SER A 19 -5.328 10.868 -1.935 1.00 43.14 N ATOM 297 CA SER A 19 -5.998 11.305 -0.717 1.00 64.31 C ATOM 298 C SER A 19 -6.114 10.115 0.228 1.00 43.22 C ATOM 299 O SER A 19 -5.579 9.053 -0.063 1.00 34.51 O ATOM 300 CB SER A 19 -7.341 11.953 -1.066 1.00 12.12 C ATOM 301 OG SER A 19 -7.137 13.150 -1.799 1.00 62.15 O ATOM 0 H SER A 19 -5.816 10.108 -2.410 1.00 43.14 H new ATOM 0 HA SER A 19 -5.422 12.072 -0.199 1.00 64.31 H new ATOM 0 HB2 SER A 19 -7.945 11.260 -1.651 1.00 12.12 H new ATOM 0 HB3 SER A 19 -7.896 12.168 -0.153 1.00 12.12 H new ATOM 0 HG SER A 19 -8.004 13.552 -2.017 1.00 62.15 H new ATOM 307 N ASP A 20 -6.767 10.299 1.368 1.00 72.20 N ATOM 308 CA ASP A 20 -7.002 9.269 2.376 1.00 40.13 C ATOM 309 C ASP A 20 -7.774 8.102 1.757 1.00 23.03 C ATOM 310 O ASP A 20 -7.223 7.010 1.604 1.00 14.22 O ATOM 311 CB ASP A 20 -7.704 9.861 3.623 1.00 73.24 C ATOM 312 CG ASP A 20 -8.633 11.042 3.331 1.00 51.30 C ATOM 313 OD1 ASP A 20 -9.466 10.921 2.409 1.00 21.23 O ATOM 314 OD2 ASP A 20 -8.376 12.133 3.898 1.00 63.40 O ATOM 0 H ASP A 20 -7.163 11.203 1.627 1.00 72.20 H new ATOM 0 HA ASP A 20 -6.045 8.879 2.724 1.00 40.13 H new ATOM 0 HB2 ASP A 20 -8.281 9.073 4.107 1.00 73.24 H new ATOM 0 HB3 ASP A 20 -6.943 10.182 4.334 1.00 73.24 H new ATOM 319 N ALA A 21 -9.023 8.340 1.355 1.00 2.44 N ATOM 320 CA ALA A 21 -9.884 7.326 0.761 1.00 61.14 C ATOM 321 C ALA A 21 -9.346 6.805 -0.582 1.00 51.33 C ATOM 322 O ALA A 21 -9.700 5.703 -0.998 1.00 54.31 O ATOM 323 CB ALA A 21 -11.289 7.913 0.593 1.00 0.31 C ATOM 0 H ALA A 21 -9.467 9.255 1.435 1.00 2.44 H new ATOM 0 HA ALA A 21 -9.912 6.466 1.430 1.00 61.14 H new ATOM 0 HB1 ALA A 21 -11.945 7.165 0.149 1.00 0.31 H new ATOM 0 HB2 ALA A 21 -11.680 8.206 1.567 1.00 0.31 H new ATOM 0 HB3 ALA A 21 -11.243 8.787 -0.057 1.00 0.31 H new ATOM 329 N GLU A 22 -8.498 7.579 -1.263 1.00 44.43 N ATOM 330 CA GLU A 22 -7.948 7.195 -2.558 1.00 42.22 C ATOM 331 C GLU A 22 -6.730 6.275 -2.356 1.00 34.24 C ATOM 332 O GLU A 22 -6.603 5.249 -3.021 1.00 31.13 O ATOM 333 CB GLU A 22 -7.574 8.426 -3.388 1.00 0.45 C ATOM 334 CG GLU A 22 -8.681 9.460 -3.602 1.00 34.21 C ATOM 335 CD GLU A 22 -9.741 9.072 -4.633 1.00 41.10 C ATOM 336 OE1 GLU A 22 -10.439 8.058 -4.407 1.00 53.01 O ATOM 337 OE2 GLU A 22 -9.946 9.826 -5.609 1.00 62.15 O ATOM 0 H GLU A 22 -8.176 8.488 -0.930 1.00 44.43 H new ATOM 0 HA GLU A 22 -8.712 6.650 -3.112 1.00 42.22 H new ATOM 0 HB2 GLU A 22 -6.732 8.921 -2.905 1.00 0.45 H new ATOM 0 HB3 GLU A 22 -7.228 8.088 -4.365 1.00 0.45 H new ATOM 0 HG2 GLU A 22 -9.175 9.643 -2.648 1.00 34.21 H new ATOM 0 HG3 GLU A 22 -8.224 10.400 -3.910 1.00 34.21 H new ATOM 344 N ALA A 23 -5.805 6.636 -1.454 1.00 31.11 N ATOM 345 CA ALA A 23 -4.562 5.897 -1.245 1.00 21.13 C ATOM 346 C ALA A 23 -4.852 4.526 -0.645 1.00 4.40 C ATOM 347 O ALA A 23 -4.177 3.555 -0.996 1.00 15.43 O ATOM 348 CB ALA A 23 -3.618 6.670 -0.315 1.00 40.23 C ATOM 0 H ALA A 23 -5.903 7.452 -0.850 1.00 31.11 H new ATOM 0 HA ALA A 23 -4.080 5.772 -2.215 1.00 21.13 H new ATOM 0 HB1 ALA A 23 -2.699 6.101 -0.174 1.00 40.23 H new ATOM 0 HB2 ALA A 23 -3.381 7.637 -0.759 1.00 40.23 H new ATOM 0 HB3 ALA A 23 -4.102 6.823 0.650 1.00 40.23 H new ATOM 354 N ASN A 24 -5.854 4.461 0.237 1.00 32.04 N ATOM 355 CA ASN A 24 -6.372 3.206 0.767 1.00 15.54 C ATOM 356 C ASN A 24 -6.845 2.354 -0.410 1.00 72.14 C ATOM 357 O ASN A 24 -6.402 1.214 -0.544 1.00 11.33 O ATOM 358 CB ASN A 24 -7.494 3.460 1.799 1.00 41.14 C ATOM 359 CG ASN A 24 -7.029 3.550 3.259 1.00 62.51 C ATOM 360 OD1 ASN A 24 -5.898 3.231 3.621 1.00 3.31 O ATOM 361 ND2 ASN A 24 -7.891 3.983 4.165 1.00 14.24 N ATOM 0 H ASN A 24 -6.329 5.286 0.603 1.00 32.04 H new ATOM 0 HA ASN A 24 -5.590 2.668 1.303 1.00 15.54 H new ATOM 0 HB2 ASN A 24 -8.003 4.388 1.538 1.00 41.14 H new ATOM 0 HB3 ASN A 24 -8.229 2.660 1.717 1.00 41.14 H new ATOM 0 HD21 ASN A 24 -7.612 4.047 5.144 1.00 14.24 H new ATOM 0 HD22 ASN A 24 -8.834 4.252 3.884 1.00 14.24 H new ATOM 368 N ALA A 25 -7.672 2.920 -1.299 1.00 54.40 N ATOM 369 CA ALA A 25 -8.213 2.215 -2.452 1.00 31.11 C ATOM 370 C ALA A 25 -7.121 1.552 -3.299 1.00 43.13 C ATOM 371 O ALA A 25 -7.268 0.367 -3.596 1.00 42.04 O ATOM 372 CB ALA A 25 -9.101 3.136 -3.293 1.00 33.14 C ATOM 0 H ALA A 25 -7.983 3.889 -1.231 1.00 54.40 H new ATOM 0 HA ALA A 25 -8.836 1.407 -2.069 1.00 31.11 H new ATOM 0 HB1 ALA A 25 -9.492 2.584 -4.148 1.00 33.14 H new ATOM 0 HB2 ALA A 25 -9.930 3.497 -2.684 1.00 33.14 H new ATOM 0 HB3 ALA A 25 -8.514 3.984 -3.646 1.00 33.14 H new ATOM 378 N LEU A 26 -6.025 2.243 -3.668 1.00 74.41 N ATOM 379 CA LEU A 26 -4.951 1.632 -4.459 1.00 12.45 C ATOM 380 C LEU A 26 -4.325 0.398 -3.792 1.00 30.11 C ATOM 381 O LEU A 26 -3.886 -0.512 -4.494 1.00 3.51 O ATOM 382 CB LEU A 26 -3.830 2.649 -4.700 1.00 30.31 C ATOM 383 CG LEU A 26 -4.171 3.900 -5.526 1.00 31.14 C ATOM 384 CD1 LEU A 26 -2.893 4.744 -5.615 1.00 32.43 C ATOM 385 CD2 LEU A 26 -4.678 3.573 -6.934 1.00 53.23 C ATOM 0 H LEU A 26 -5.865 3.222 -3.429 1.00 74.41 H new ATOM 0 HA LEU A 26 -5.416 1.316 -5.392 1.00 12.45 H new ATOM 0 HB2 LEU A 26 -3.460 2.978 -3.729 1.00 30.31 H new ATOM 0 HB3 LEU A 26 -3.008 2.132 -5.196 1.00 30.31 H new ATOM 0 HG LEU A 26 -4.983 4.435 -5.033 1.00 31.14 H new ATOM 0 HD11 LEU A 26 -3.092 5.645 -6.195 1.00 32.43 H new ATOM 0 HD12 LEU A 26 -2.570 5.022 -4.612 1.00 32.43 H new ATOM 0 HD13 LEU A 26 -2.108 4.165 -6.101 1.00 32.43 H new ATOM 0 HD21 LEU A 26 -4.901 4.499 -7.465 1.00 53.23 H new ATOM 0 HD22 LEU A 26 -3.912 3.019 -7.477 1.00 53.23 H new ATOM 0 HD23 LEU A 26 -5.582 2.968 -6.864 1.00 53.23 H new ATOM 397 N VAL A 27 -4.267 0.316 -2.462 1.00 2.34 N ATOM 398 CA VAL A 27 -3.792 -0.903 -1.805 1.00 33.41 C ATOM 399 C VAL A 27 -4.860 -1.991 -1.948 1.00 52.23 C ATOM 400 O VAL A 27 -4.558 -3.141 -2.280 1.00 10.55 O ATOM 401 CB VAL A 27 -3.436 -0.610 -0.335 1.00 32.11 C ATOM 402 CG1 VAL A 27 -3.051 -1.884 0.434 1.00 43.54 C ATOM 403 CG2 VAL A 27 -2.268 0.382 -0.267 1.00 71.43 C ATOM 0 H VAL A 27 -4.538 1.066 -1.827 1.00 2.34 H new ATOM 0 HA VAL A 27 -2.880 -1.263 -2.280 1.00 33.41 H new ATOM 0 HB VAL A 27 -4.325 -0.186 0.131 1.00 32.11 H new ATOM 0 HG11 VAL A 27 -2.808 -1.627 1.465 1.00 43.54 H new ATOM 0 HG12 VAL A 27 -3.887 -2.583 0.421 1.00 43.54 H new ATOM 0 HG13 VAL A 27 -2.184 -2.346 -0.038 1.00 43.54 H new ATOM 0 HG21 VAL A 27 -2.022 0.584 0.776 1.00 71.43 H new ATOM 0 HG22 VAL A 27 -1.399 -0.044 -0.769 1.00 71.43 H new ATOM 0 HG23 VAL A 27 -2.551 1.312 -0.760 1.00 71.43 H new ATOM 413 N TRP A 28 -6.118 -1.629 -1.708 1.00 22.42 N ATOM 414 CA TRP A 28 -7.238 -2.551 -1.664 1.00 20.44 C ATOM 415 C TRP A 28 -7.459 -3.230 -3.025 1.00 14.30 C ATOM 416 O TRP A 28 -7.697 -4.448 -3.075 1.00 53.22 O ATOM 417 CB TRP A 28 -8.458 -1.776 -1.142 1.00 74.44 C ATOM 418 CG TRP A 28 -8.317 -1.125 0.221 1.00 74.14 C ATOM 419 CD1 TRP A 28 -7.309 -1.299 1.115 1.00 32.55 C ATOM 420 CD2 TRP A 28 -9.254 -0.224 0.886 1.00 53.25 C ATOM 421 NE1 TRP A 28 -7.557 -0.574 2.265 1.00 55.12 N ATOM 422 CE2 TRP A 28 -8.775 0.058 2.199 1.00 0.25 C ATOM 423 CE3 TRP A 28 -10.496 0.336 0.531 1.00 52.24 C ATOM 424 CZ2 TRP A 28 -9.525 0.780 3.138 1.00 2.23 C ATOM 425 CZ3 TRP A 28 -11.261 1.067 1.459 1.00 21.51 C ATOM 426 CH2 TRP A 28 -10.787 1.268 2.767 1.00 33.25 C ATOM 0 H TRP A 28 -6.388 -0.661 -1.535 1.00 22.42 H new ATOM 0 HA TRP A 28 -7.041 -3.378 -0.981 1.00 20.44 H new ATOM 0 HB2 TRP A 28 -8.704 -1.000 -1.867 1.00 74.44 H new ATOM 0 HB3 TRP A 28 -9.306 -2.460 -1.107 1.00 74.44 H new ATOM 0 HD1 TRP A 28 -6.438 -1.916 0.950 1.00 32.55 H new ATOM 0 HE1 TRP A 28 -6.919 -0.516 3.059 1.00 55.12 H new ATOM 0 HE3 TRP A 28 -10.869 0.202 -0.474 1.00 52.24 H new ATOM 0 HZ2 TRP A 28 -9.138 0.958 4.130 1.00 2.23 H new ATOM 0 HZ3 TRP A 28 -12.217 1.475 1.165 1.00 21.51 H new ATOM 0 HH2 TRP A 28 -11.394 1.798 3.486 1.00 33.25 H new ATOM 437 N GLN A 29 -7.306 -2.484 -4.132 1.00 21.25 N ATOM 438 CA GLN A 29 -7.319 -3.070 -5.476 1.00 14.24 C ATOM 439 C GLN A 29 -6.174 -4.085 -5.640 1.00 54.14 C ATOM 440 O GLN A 29 -6.397 -5.209 -6.100 1.00 4.24 O ATOM 441 CB GLN A 29 -7.325 -1.996 -6.589 1.00 23.34 C ATOM 442 CG GLN A 29 -6.217 -0.962 -6.502 1.00 71.43 C ATOM 443 CD GLN A 29 -5.879 -0.260 -7.811 1.00 4.33 C ATOM 444 OE1 GLN A 29 -4.750 -0.324 -8.295 1.00 62.34 O ATOM 445 NE2 GLN A 29 -6.816 0.427 -8.425 1.00 10.14 N ATOM 0 H GLN A 29 -7.172 -1.473 -4.119 1.00 21.25 H new ATOM 0 HA GLN A 29 -8.257 -3.614 -5.589 1.00 14.24 H new ATOM 0 HB2 GLN A 29 -7.256 -2.497 -7.554 1.00 23.34 H new ATOM 0 HB3 GLN A 29 -8.284 -1.479 -6.566 1.00 23.34 H new ATOM 0 HG2 GLN A 29 -6.502 -0.209 -5.768 1.00 71.43 H new ATOM 0 HG3 GLN A 29 -5.317 -1.449 -6.126 1.00 71.43 H new ATOM 0 HE21 GLN A 29 -7.753 0.482 -8.026 1.00 10.14 H new ATOM 0 HE22 GLN A 29 -6.606 0.906 -9.301 1.00 10.14 H new ATOM 454 N ALA A 30 -4.948 -3.700 -5.268 1.00 4.44 N ATOM 455 CA ALA A 30 -3.723 -4.458 -5.506 1.00 15.41 C ATOM 456 C ALA A 30 -3.783 -5.830 -4.843 1.00 31.44 C ATOM 457 O ALA A 30 -3.477 -6.837 -5.497 1.00 11.02 O ATOM 458 CB ALA A 30 -2.508 -3.652 -5.041 1.00 3.11 C ATOM 0 H ALA A 30 -4.780 -2.822 -4.777 1.00 4.44 H new ATOM 0 HA ALA A 30 -3.623 -4.632 -6.577 1.00 15.41 H new ATOM 0 HB1 ALA A 30 -1.599 -4.226 -5.223 1.00 3.11 H new ATOM 0 HB2 ALA A 30 -2.461 -2.713 -5.593 1.00 3.11 H new ATOM 0 HB3 ALA A 30 -2.597 -3.442 -3.975 1.00 3.11 H new ATOM 464 N LEU A 31 -4.224 -5.912 -3.580 1.00 31.43 N ATOM 465 CA LEU A 31 -4.430 -7.211 -2.937 1.00 32.35 C ATOM 466 C LEU A 31 -5.499 -7.956 -3.714 1.00 32.24 C ATOM 467 O LEU A 31 -5.230 -9.053 -4.205 1.00 70.41 O ATOM 468 CB LEU A 31 -4.817 -7.122 -1.447 1.00 44.11 C ATOM 469 CG LEU A 31 -3.659 -6.950 -0.444 1.00 64.22 C ATOM 470 CD1 LEU A 31 -2.469 -7.878 -0.687 1.00 3.24 C ATOM 471 CD2 LEU A 31 -3.267 -5.483 -0.382 1.00 25.12 C ATOM 0 H LEU A 31 -4.441 -5.106 -2.994 1.00 31.43 H new ATOM 0 HA LEU A 31 -3.478 -7.741 -2.954 1.00 32.35 H new ATOM 0 HB2 LEU A 31 -5.503 -6.284 -1.322 1.00 44.11 H new ATOM 0 HB3 LEU A 31 -5.366 -8.026 -1.183 1.00 44.11 H new ATOM 0 HG LEU A 31 -4.022 -7.264 0.535 1.00 64.22 H new ATOM 0 HD11 LEU A 31 -1.701 -7.690 0.064 1.00 3.24 H new ATOM 0 HD12 LEU A 31 -2.797 -8.915 -0.619 1.00 3.24 H new ATOM 0 HD13 LEU A 31 -2.059 -7.692 -1.680 1.00 3.24 H new ATOM 0 HD21 LEU A 31 -2.448 -5.355 0.326 1.00 25.12 H new ATOM 0 HD22 LEU A 31 -2.948 -5.149 -1.370 1.00 25.12 H new ATOM 0 HD23 LEU A 31 -4.123 -4.891 -0.058 1.00 25.12 H new ATOM 483 N GLY A 32 -6.664 -7.331 -3.912 1.00 62.44 N ATOM 484 CA GLY A 32 -7.752 -7.894 -4.699 1.00 33.41 C ATOM 485 C GLY A 32 -9.092 -7.919 -3.981 1.00 21.32 C ATOM 486 O GLY A 32 -9.945 -8.711 -4.372 1.00 2.04 O ATOM 0 H GLY A 32 -6.875 -6.411 -3.524 1.00 62.44 H new ATOM 0 HA2 GLY A 32 -7.856 -7.318 -5.619 1.00 33.41 H new ATOM 0 HA3 GLY A 32 -7.488 -8.911 -4.988 1.00 33.41 H new ATOM 490 N TYR A 33 -9.275 -7.117 -2.929 1.00 11.22 N ATOM 491 CA TYR A 33 -10.551 -7.063 -2.220 1.00 43.55 C ATOM 492 C TYR A 33 -11.619 -6.384 -3.082 1.00 31.24 C ATOM 493 O TYR A 33 -12.798 -6.682 -2.953 1.00 5.31 O ATOM 494 CB TYR A 33 -10.394 -6.310 -0.897 1.00 14.51 C ATOM 495 CG TYR A 33 -9.577 -7.037 0.155 1.00 42.30 C ATOM 496 CD1 TYR A 33 -8.175 -6.909 0.171 1.00 34.53 C ATOM 497 CD2 TYR A 33 -10.224 -7.771 1.167 1.00 4.21 C ATOM 498 CE1 TYR A 33 -7.417 -7.483 1.205 1.00 60.55 C ATOM 499 CE2 TYR A 33 -9.479 -8.351 2.209 1.00 20.42 C ATOM 500 CZ TYR A 33 -8.070 -8.211 2.227 1.00 24.32 C ATOM 501 OH TYR A 33 -7.329 -8.752 3.229 1.00 34.23 O ATOM 0 H TYR A 33 -8.557 -6.499 -2.552 1.00 11.22 H new ATOM 0 HA TYR A 33 -10.868 -8.085 -2.011 1.00 43.55 H new ATOM 0 HB2 TYR A 33 -9.927 -5.346 -1.097 1.00 14.51 H new ATOM 0 HB3 TYR A 33 -11.385 -6.106 -0.491 1.00 14.51 H new ATOM 0 HD1 TYR A 33 -7.678 -6.365 -0.618 1.00 34.53 H new ATOM 0 HD2 TYR A 33 -11.297 -7.889 1.143 1.00 4.21 H new ATOM 0 HE1 TYR A 33 -6.343 -7.369 1.220 1.00 60.55 H new ATOM 0 HE2 TYR A 33 -9.979 -8.901 2.992 1.00 20.42 H new ATOM 0 HH TYR A 33 -7.423 -8.205 4.037 1.00 34.23 H new ATOM 511 N VAL A 34 -11.220 -5.407 -3.899 1.00 54.23 N ATOM 512 CA VAL A 34 -11.909 -4.964 -5.117 1.00 55.55 C ATOM 513 C VAL A 34 -13.437 -4.880 -4.974 1.00 65.11 C ATOM 514 O VAL A 34 -14.144 -5.825 -5.333 1.00 64.32 O ATOM 515 CB VAL A 34 -11.388 -5.604 -6.416 1.00 21.43 C ATOM 516 CG1 VAL A 34 -11.528 -7.129 -6.532 1.00 64.31 C ATOM 517 CG2 VAL A 34 -12.079 -4.914 -7.600 1.00 14.25 C ATOM 0 H VAL A 34 -10.367 -4.877 -3.722 1.00 54.23 H new ATOM 0 HA VAL A 34 -11.616 -3.921 -5.241 1.00 55.55 H new ATOM 0 HB VAL A 34 -10.309 -5.448 -6.412 1.00 21.43 H new ATOM 0 HG11 VAL A 34 -11.126 -7.459 -7.490 1.00 64.31 H new ATOM 0 HG12 VAL A 34 -10.977 -7.608 -5.722 1.00 64.31 H new ATOM 0 HG13 VAL A 34 -12.581 -7.404 -6.466 1.00 64.31 H new ATOM 0 HG21 VAL A 34 -11.725 -5.352 -8.533 1.00 14.25 H new ATOM 0 HG22 VAL A 34 -13.158 -5.050 -7.522 1.00 14.25 H new ATOM 0 HG23 VAL A 34 -11.846 -3.849 -7.587 1.00 14.25 H new ATOM 527 N TRP A 35 -13.923 -3.748 -4.473 1.00 3.41 N ATOM 528 CA TRP A 35 -15.297 -3.526 -4.055 1.00 33.40 C ATOM 529 C TRP A 35 -16.308 -4.079 -5.055 1.00 4.31 C ATOM 530 O TRP A 35 -16.389 -3.587 -6.186 1.00 53.11 O ATOM 531 CB TRP A 35 -15.504 -2.026 -3.905 1.00 23.30 C ATOM 532 CG TRP A 35 -16.926 -1.664 -3.626 1.00 44.24 C ATOM 533 CD1 TRP A 35 -17.827 -1.331 -4.575 1.00 52.43 C ATOM 534 CD2 TRP A 35 -17.673 -1.776 -2.385 1.00 11.14 C ATOM 535 NE1 TRP A 35 -19.084 -1.263 -4.021 1.00 74.00 N ATOM 536 CE2 TRP A 35 -19.051 -1.545 -2.671 1.00 24.11 C ATOM 537 CE3 TRP A 35 -17.328 -2.091 -1.056 1.00 12.31 C ATOM 538 CZ2 TRP A 35 -20.036 -1.632 -1.679 1.00 64.04 C ATOM 539 CZ3 TRP A 35 -18.303 -2.142 -0.043 1.00 65.14 C ATOM 540 CH2 TRP A 35 -19.653 -1.906 -0.354 1.00 63.13 C ATOM 0 H TRP A 35 -13.338 -2.923 -4.343 1.00 3.41 H new ATOM 0 HA TRP A 35 -15.461 -4.051 -3.114 1.00 33.40 H new ATOM 0 HB2 TRP A 35 -14.874 -1.656 -3.096 1.00 23.30 H new ATOM 0 HB3 TRP A 35 -15.179 -1.526 -4.817 1.00 23.30 H new ATOM 0 HD1 TRP A 35 -17.595 -1.146 -5.613 1.00 52.43 H new ATOM 0 HE1 TRP A 35 -19.931 -1.034 -4.541 1.00 74.00 H new ATOM 0 HE3 TRP A 35 -16.297 -2.297 -0.810 1.00 12.31 H new ATOM 0 HZ2 TRP A 35 -21.077 -1.490 -1.929 1.00 64.04 H new ATOM 0 HZ3 TRP A 35 -18.014 -2.363 0.974 1.00 65.14 H new ATOM 0 HH2 TRP A 35 -20.398 -1.935 0.427 1.00 63.13 H new ATOM 551 N ASP A 36 -17.069 -5.094 -4.659 1.00 55.12 N ATOM 552 CA ASP A 36 -18.122 -5.643 -5.485 1.00 34.23 C ATOM 553 C ASP A 36 -19.411 -4.874 -5.284 1.00 54.53 C ATOM 554 O ASP A 36 -20.196 -5.117 -4.367 1.00 63.14 O ATOM 555 CB ASP A 36 -18.319 -7.138 -5.265 1.00 11.44 C ATOM 556 CG ASP A 36 -18.477 -7.737 -6.650 1.00 13.32 C ATOM 557 OD1 ASP A 36 -17.435 -8.016 -7.276 1.00 74.34 O ATOM 558 OD2 ASP A 36 -19.590 -7.727 -7.221 1.00 34.13 O ATOM 0 H ASP A 36 -16.968 -5.555 -3.755 1.00 55.12 H new ATOM 0 HA ASP A 36 -17.813 -5.528 -6.524 1.00 34.23 H new ATOM 0 HB2 ASP A 36 -17.466 -7.573 -4.745 1.00 11.44 H new ATOM 0 HB3 ASP A 36 -19.199 -7.331 -4.652 1.00 11.44 H new ATOM 563 N GLU A 37 -19.623 -3.928 -6.184 1.00 13.32 N ATOM 564 CA GLU A 37 -20.804 -3.091 -6.273 1.00 44.41 C ATOM 565 C GLU A 37 -22.080 -3.913 -6.465 1.00 11.04 C ATOM 566 O GLU A 37 -23.146 -3.452 -6.067 1.00 51.30 O ATOM 567 CB GLU A 37 -20.514 -2.132 -7.427 1.00 52.34 C ATOM 568 CG GLU A 37 -21.598 -1.110 -7.779 1.00 52.23 C ATOM 569 CD GLU A 37 -21.181 -0.290 -9.006 1.00 61.10 C ATOM 570 OE1 GLU A 37 -19.978 0.045 -9.122 1.00 64.04 O ATOM 571 OE2 GLU A 37 -22.038 -0.023 -9.879 1.00 42.52 O ATOM 0 H GLU A 37 -18.939 -3.714 -6.909 1.00 13.32 H new ATOM 0 HA GLU A 37 -20.996 -2.543 -5.351 1.00 44.41 H new ATOM 0 HB2 GLU A 37 -19.600 -1.587 -7.191 1.00 52.34 H new ATOM 0 HB3 GLU A 37 -20.309 -2.727 -8.317 1.00 52.34 H new ATOM 0 HG2 GLU A 37 -22.539 -1.623 -7.979 1.00 52.23 H new ATOM 0 HG3 GLU A 37 -21.770 -0.446 -6.932 1.00 52.23 H new ATOM 578 N ALA A 38 -21.984 -5.133 -7.007 1.00 3.31 N ATOM 579 CA ALA A 38 -23.124 -6.037 -7.085 1.00 2.04 C ATOM 580 C ALA A 38 -23.505 -6.547 -5.694 1.00 73.21 C ATOM 581 O ALA A 38 -24.682 -6.627 -5.346 1.00 55.02 O ATOM 582 CB ALA A 38 -22.784 -7.246 -7.967 1.00 31.51 C ATOM 0 H ALA A 38 -21.122 -5.513 -7.398 1.00 3.31 H new ATOM 0 HA ALA A 38 -23.959 -5.483 -7.514 1.00 2.04 H new ATOM 0 HB1 ALA A 38 -23.644 -7.913 -8.017 1.00 31.51 H new ATOM 0 HB2 ALA A 38 -22.531 -6.904 -8.971 1.00 31.51 H new ATOM 0 HB3 ALA A 38 -21.935 -7.780 -7.541 1.00 31.51 H new ATOM 588 N GLN A 39 -22.501 -6.956 -4.917 1.00 65.32 N ATOM 589 CA GLN A 39 -22.692 -7.667 -3.659 1.00 15.21 C ATOM 590 C GLN A 39 -22.828 -6.675 -2.502 1.00 13.01 C ATOM 591 O GLN A 39 -23.177 -7.075 -1.393 1.00 21.44 O ATOM 592 CB GLN A 39 -21.538 -8.661 -3.413 1.00 62.43 C ATOM 593 CG GLN A 39 -21.119 -9.470 -4.629 1.00 11.05 C ATOM 594 CD GLN A 39 -19.916 -10.359 -4.327 1.00 20.24 C ATOM 595 OE1 GLN A 39 -18.812 -9.941 -3.980 1.00 44.14 O ATOM 596 NE2 GLN A 39 -20.137 -11.640 -4.443 1.00 1.34 N ATOM 0 H GLN A 39 -21.520 -6.799 -5.150 1.00 65.32 H new ATOM 0 HA GLN A 39 -23.616 -8.242 -3.720 1.00 15.21 H new ATOM 0 HB2 GLN A 39 -20.673 -8.107 -3.048 1.00 62.43 H new ATOM 0 HB3 GLN A 39 -21.834 -9.349 -2.621 1.00 62.43 H new ATOM 0 HG2 GLN A 39 -21.954 -10.087 -4.961 1.00 11.05 H new ATOM 0 HG3 GLN A 39 -20.876 -8.795 -5.449 1.00 11.05 H new ATOM 0 HE21 GLN A 39 -21.056 -11.975 -4.731 1.00 1.34 H new ATOM 0 HE22 GLN A 39 -19.390 -12.306 -4.245 1.00 1.34 H new ATOM 605 N SER A 40 -22.552 -5.398 -2.768 1.00 10.44 N ATOM 606 CA SER A 40 -22.350 -4.326 -1.815 1.00 1.33 C ATOM 607 C SER A 40 -21.310 -4.695 -0.751 1.00 11.03 C ATOM 608 O SER A 40 -21.441 -4.318 0.418 1.00 71.21 O ATOM 609 CB SER A 40 -23.678 -3.879 -1.207 1.00 11.00 C ATOM 610 OG SER A 40 -24.733 -3.856 -2.156 1.00 23.42 O ATOM 0 H SER A 40 -22.459 -5.070 -3.729 1.00 10.44 H new ATOM 0 HA SER A 40 -21.940 -3.472 -2.354 1.00 1.33 H new ATOM 0 HB2 SER A 40 -23.944 -4.550 -0.390 1.00 11.00 H new ATOM 0 HB3 SER A 40 -23.560 -2.885 -0.777 1.00 11.00 H new ATOM 0 HG SER A 40 -25.560 -3.566 -1.718 1.00 23.42 H new ATOM 616 N CYS A 41 -20.287 -5.464 -1.131 1.00 74.40 N ATOM 617 CA CYS A 41 -19.275 -5.957 -0.216 1.00 12.33 C ATOM 618 C CYS A 41 -17.937 -6.009 -0.923 1.00 45.33 C ATOM 619 O CYS A 41 -17.855 -6.055 -2.148 1.00 21.41 O ATOM 620 CB CYS A 41 -19.640 -7.367 0.268 1.00 2.12 C ATOM 621 SG CYS A 41 -21.087 -7.358 1.353 1.00 22.11 S ATOM 0 H CYS A 41 -20.143 -5.761 -2.096 1.00 74.40 H new ATOM 0 HA CYS A 41 -19.218 -5.285 0.641 1.00 12.33 H new ATOM 0 HB2 CYS A 41 -19.836 -8.006 -0.593 1.00 2.12 H new ATOM 0 HB3 CYS A 41 -18.792 -7.799 0.799 1.00 2.12 H new ATOM 0 HG CYS A 41 -21.588 -6.159 1.399 1.00 22.11 H new ATOM 627 N TRP A 42 -16.879 -6.086 -0.129 1.00 71.23 N ATOM 628 CA TRP A 42 -15.557 -6.431 -0.605 1.00 12.23 C ATOM 629 C TRP A 42 -15.632 -7.859 -1.146 1.00 71.10 C ATOM 630 O TRP A 42 -16.139 -8.768 -0.482 1.00 73.41 O ATOM 631 CB TRP A 42 -14.576 -6.242 0.556 1.00 43.05 C ATOM 632 CG TRP A 42 -14.574 -4.819 1.037 1.00 74.54 C ATOM 633 CD1 TRP A 42 -15.197 -4.319 2.135 1.00 13.11 C ATOM 634 CD2 TRP A 42 -14.024 -3.671 0.328 1.00 75.51 C ATOM 635 NE1 TRP A 42 -15.112 -2.938 2.114 1.00 71.12 N ATOM 636 CE2 TRP A 42 -14.392 -2.489 1.029 1.00 65.30 C ATOM 637 CE3 TRP A 42 -13.281 -3.515 -0.862 1.00 71.41 C ATOM 638 CZ2 TRP A 42 -14.046 -1.214 0.565 1.00 61.32 C ATOM 639 CZ3 TRP A 42 -12.924 -2.238 -1.334 1.00 31.41 C ATOM 640 CH2 TRP A 42 -13.326 -1.089 -0.633 1.00 12.45 C ATOM 0 H TRP A 42 -16.920 -5.908 0.874 1.00 71.23 H new ATOM 0 HA TRP A 42 -15.200 -5.797 -1.417 1.00 12.23 H new ATOM 0 HB2 TRP A 42 -14.847 -6.906 1.377 1.00 43.05 H new ATOM 0 HB3 TRP A 42 -13.572 -6.523 0.237 1.00 43.05 H new ATOM 0 HD1 TRP A 42 -15.681 -4.905 2.902 1.00 13.11 H new ATOM 0 HE1 TRP A 42 -15.531 -2.328 2.816 1.00 71.12 H new ATOM 0 HE3 TRP A 42 -12.981 -4.390 -1.420 1.00 71.41 H new ATOM 0 HZ2 TRP A 42 -14.331 -0.335 1.124 1.00 61.32 H new ATOM 0 HZ3 TRP A 42 -12.340 -2.141 -2.237 1.00 31.41 H new ATOM 0 HH2 TRP A 42 -13.081 -0.109 -1.016 1.00 12.45 H new ATOM 651 N LYS A 43 -15.225 -8.058 -2.395 1.00 52.34 N ATOM 652 CA LYS A 43 -14.959 -9.323 -3.003 1.00 23.45 C ATOM 653 C LYS A 43 -13.773 -9.951 -2.273 1.00 32.22 C ATOM 654 O LYS A 43 -12.960 -9.225 -1.703 1.00 11.23 O ATOM 655 CB LYS A 43 -14.584 -8.950 -4.439 1.00 73.10 C ATOM 656 CG LYS A 43 -14.898 -10.136 -5.304 1.00 21.45 C ATOM 657 CD LYS A 43 -14.101 -10.149 -6.602 1.00 53.31 C ATOM 658 CE LYS A 43 -14.637 -9.057 -7.521 1.00 71.14 C ATOM 659 NZ LYS A 43 -14.140 -9.142 -8.903 1.00 72.43 N ATOM 0 H LYS A 43 -15.067 -7.281 -3.036 1.00 52.34 H new ATOM 0 HA LYS A 43 -15.785 -10.033 -2.968 1.00 23.45 H new ATOM 0 HB2 LYS A 43 -15.145 -8.075 -4.768 1.00 73.10 H new ATOM 0 HB3 LYS A 43 -13.527 -8.694 -4.506 1.00 73.10 H new ATOM 0 HG2 LYS A 43 -14.692 -11.050 -4.747 1.00 21.45 H new ATOM 0 HG3 LYS A 43 -15.963 -10.138 -5.537 1.00 21.45 H new ATOM 0 HD2 LYS A 43 -13.043 -9.983 -6.397 1.00 53.31 H new ATOM 0 HD3 LYS A 43 -14.183 -11.123 -7.085 1.00 53.31 H new ATOM 0 HE2 LYS A 43 -15.726 -9.109 -7.533 1.00 71.14 H new ATOM 0 HE3 LYS A 43 -14.369 -8.085 -7.108 1.00 71.14 H new ATOM 0 HZ1 LYS A 43 -13.613 -8.276 -9.136 1.00 72.43 H new ATOM 0 HZ2 LYS A 43 -13.512 -9.966 -8.996 1.00 72.43 H new ATOM 0 HZ3 LYS A 43 -14.944 -9.244 -9.555 1.00 72.43 H new ATOM 673 N THR A 44 -13.568 -11.266 -2.381 1.00 10.03 N ATOM 674 CA THR A 44 -12.261 -11.812 -2.026 1.00 13.03 C ATOM 675 C THR A 44 -11.727 -12.833 -3.031 1.00 11.41 C ATOM 676 O THR A 44 -10.625 -13.335 -2.846 1.00 52.30 O ATOM 677 CB THR A 44 -12.210 -12.283 -0.562 1.00 51.10 C ATOM 678 OG1 THR A 44 -12.822 -13.528 -0.322 1.00 63.12 O ATOM 679 CG2 THR A 44 -12.753 -11.304 0.467 1.00 33.33 C ATOM 0 H THR A 44 -14.259 -11.946 -2.698 1.00 10.03 H new ATOM 0 HA THR A 44 -11.554 -10.985 -2.096 1.00 13.03 H new ATOM 0 HB THR A 44 -11.132 -12.369 -0.426 1.00 51.10 H new ATOM 0 HG1 THR A 44 -12.608 -13.828 0.586 1.00 63.12 H new ATOM 0 HG21 THR A 44 -12.668 -11.739 1.463 1.00 33.33 H new ATOM 0 HG22 THR A 44 -12.180 -10.377 0.425 1.00 33.33 H new ATOM 0 HG23 THR A 44 -13.800 -11.093 0.251 1.00 33.33 H new ATOM 687 N ASP A 45 -12.418 -13.099 -4.144 1.00 1.12 N ATOM 688 CA ASP A 45 -12.016 -14.125 -5.108 1.00 11.21 C ATOM 689 C ASP A 45 -10.640 -13.802 -5.668 1.00 11.42 C ATOM 690 O ASP A 45 -9.869 -14.689 -6.023 1.00 4.32 O ATOM 691 CB ASP A 45 -12.960 -14.119 -6.314 1.00 63.25 C ATOM 692 CG ASP A 45 -14.427 -14.352 -5.985 1.00 50.01 C ATOM 693 OD1 ASP A 45 -15.052 -13.416 -5.440 1.00 54.44 O ATOM 694 OD2 ASP A 45 -14.989 -15.383 -6.431 1.00 54.53 O ATOM 0 H ASP A 45 -13.274 -12.607 -4.401 1.00 1.12 H new ATOM 0 HA ASP A 45 -12.031 -15.083 -4.588 1.00 11.21 H new ATOM 0 HB2 ASP A 45 -12.866 -13.161 -6.825 1.00 63.25 H new ATOM 0 HB3 ASP A 45 -12.634 -14.887 -7.015 1.00 63.25 H new ATOM 699 N LEU A 46 -10.371 -12.498 -5.783 1.00 41.41 N ATOM 700 CA LEU A 46 -9.252 -11.950 -6.506 1.00 62.41 C ATOM 701 C LEU A 46 -8.085 -11.597 -5.585 1.00 43.21 C ATOM 702 O LEU A 46 -7.153 -10.938 -6.052 1.00 73.42 O ATOM 703 CB LEU A 46 -9.712 -10.741 -7.348 1.00 3.50 C ATOM 704 CG LEU A 46 -10.614 -11.084 -8.549 1.00 65.21 C ATOM 705 CD1 LEU A 46 -10.849 -9.817 -9.381 1.00 3.11 C ATOM 706 CD2 LEU A 46 -9.995 -12.147 -9.460 1.00 40.25 C ATOM 0 H LEU A 46 -10.956 -11.781 -5.355 1.00 41.41 H new ATOM 0 HA LEU A 46 -8.876 -12.717 -7.183 1.00 62.41 H new ATOM 0 HB2 LEU A 46 -10.247 -10.048 -6.698 1.00 3.50 H new ATOM 0 HB3 LEU A 46 -8.829 -10.217 -7.715 1.00 3.50 H new ATOM 0 HG LEU A 46 -11.548 -11.479 -8.149 1.00 65.21 H new ATOM 0 HD11 LEU A 46 -11.487 -10.054 -10.233 1.00 3.11 H new ATOM 0 HD12 LEU A 46 -11.334 -9.061 -8.764 1.00 3.11 H new ATOM 0 HD13 LEU A 46 -9.893 -9.434 -9.739 1.00 3.11 H new ATOM 0 HD21 LEU A 46 -10.670 -12.352 -10.291 1.00 40.25 H new ATOM 0 HD22 LEU A 46 -9.043 -11.784 -9.848 1.00 40.25 H new ATOM 0 HD23 LEU A 46 -9.830 -13.062 -8.891 1.00 40.25 H new ATOM 718 N VAL A 47 -8.140 -11.967 -4.302 1.00 72.13 N ATOM 719 CA VAL A 47 -7.100 -11.763 -3.298 1.00 44.53 C ATOM 720 C VAL A 47 -6.552 -13.096 -2.780 1.00 73.42 C ATOM 721 O VAL A 47 -7.242 -14.113 -2.806 1.00 61.34 O ATOM 722 CB VAL A 47 -7.560 -10.709 -2.262 1.00 35.34 C ATOM 723 CG1 VAL A 47 -8.981 -10.764 -1.736 1.00 22.11 C ATOM 724 CG2 VAL A 47 -6.607 -10.550 -1.061 1.00 64.12 C ATOM 0 H VAL A 47 -8.957 -12.442 -3.919 1.00 72.13 H new ATOM 0 HA VAL A 47 -6.209 -11.313 -3.735 1.00 44.53 H new ATOM 0 HB VAL A 47 -7.529 -9.835 -2.912 1.00 35.34 H new ATOM 0 HG11 VAL A 47 -9.136 -9.956 -1.021 1.00 22.11 H new ATOM 0 HG12 VAL A 47 -9.680 -10.654 -2.565 1.00 22.11 H new ATOM 0 HG13 VAL A 47 -9.150 -11.722 -1.243 1.00 22.11 H new ATOM 0 HG21 VAL A 47 -7.000 -9.793 -0.382 1.00 64.12 H new ATOM 0 HG22 VAL A 47 -6.523 -11.501 -0.535 1.00 64.12 H new ATOM 0 HG23 VAL A 47 -5.623 -10.243 -1.415 1.00 64.12 H new ATOM 734 N ALA A 48 -5.286 -13.104 -2.343 1.00 34.11 N ATOM 735 CA ALA A 48 -4.628 -14.297 -1.831 1.00 71.33 C ATOM 736 C ALA A 48 -5.287 -14.708 -0.509 1.00 23.52 C ATOM 737 O ALA A 48 -5.650 -13.827 0.282 1.00 35.22 O ATOM 738 CB ALA A 48 -3.139 -14.002 -1.629 1.00 24.40 C ATOM 0 H ALA A 48 -4.692 -12.275 -2.338 1.00 34.11 H new ATOM 0 HA ALA A 48 -4.728 -15.119 -2.540 1.00 71.33 H new ATOM 0 HB1 ALA A 48 -2.640 -14.892 -1.245 1.00 24.40 H new ATOM 0 HB2 ALA A 48 -2.692 -13.718 -2.582 1.00 24.40 H new ATOM 0 HB3 ALA A 48 -3.023 -13.186 -0.916 1.00 24.40 H new ATOM 744 N PRO A 49 -5.407 -16.013 -0.213 1.00 73.52 N ATOM 745 CA PRO A 49 -6.184 -16.476 0.926 1.00 14.41 C ATOM 746 C PRO A 49 -5.547 -16.020 2.236 1.00 54.31 C ATOM 747 O PRO A 49 -6.266 -15.593 3.137 1.00 3.20 O ATOM 748 CB PRO A 49 -6.308 -17.992 0.781 1.00 14.03 C ATOM 749 CG PRO A 49 -5.098 -18.370 -0.064 1.00 23.04 C ATOM 750 CD PRO A 49 -4.812 -17.136 -0.921 1.00 23.03 C ATOM 0 HA PRO A 49 -7.185 -16.045 0.949 1.00 14.41 H new ATOM 0 HB2 PRO A 49 -6.292 -18.490 1.750 1.00 14.03 H new ATOM 0 HB3 PRO A 49 -7.241 -18.273 0.293 1.00 14.03 H new ATOM 0 HG2 PRO A 49 -4.242 -18.622 0.563 1.00 23.04 H new ATOM 0 HG3 PRO A 49 -5.307 -19.242 -0.684 1.00 23.04 H new ATOM 0 HD2 PRO A 49 -3.740 -16.991 -1.052 1.00 23.03 H new ATOM 0 HD3 PRO A 49 -5.243 -17.243 -1.916 1.00 23.03 H new ATOM 758 N GLU A 50 -4.212 -15.982 2.304 1.00 0.22 N ATOM 759 CA GLU A 50 -3.475 -15.514 3.471 1.00 33.41 C ATOM 760 C GLU A 50 -3.817 -14.072 3.863 1.00 12.14 C ATOM 761 O GLU A 50 -3.541 -13.692 5.001 1.00 64.33 O ATOM 762 CB GLU A 50 -1.968 -15.661 3.223 1.00 32.30 C ATOM 763 CG GLU A 50 -1.390 -14.668 2.206 1.00 0.35 C ATOM 764 CD GLU A 50 0.123 -14.823 2.119 1.00 24.54 C ATOM 765 OE1 GLU A 50 0.580 -15.898 1.675 1.00 61.11 O ATOM 766 OE2 GLU A 50 0.860 -13.882 2.488 1.00 42.14 O ATOM 0 H GLU A 50 -3.610 -16.281 1.537 1.00 0.22 H new ATOM 0 HA GLU A 50 -3.777 -16.138 4.312 1.00 33.41 H new ATOM 0 HB2 GLU A 50 -1.443 -15.538 4.170 1.00 32.30 H new ATOM 0 HB3 GLU A 50 -1.767 -16.675 2.876 1.00 32.30 H new ATOM 0 HG2 GLU A 50 -1.837 -14.838 1.227 1.00 0.35 H new ATOM 0 HG3 GLU A 50 -1.642 -13.649 2.499 1.00 0.35 H new ATOM 773 N TRP A 51 -4.386 -13.275 2.944 1.00 23.43 N ATOM 774 CA TRP A 51 -4.884 -11.937 3.221 1.00 2.51 C ATOM 775 C TRP A 51 -6.368 -11.991 3.582 1.00 12.23 C ATOM 776 O TRP A 51 -6.759 -11.523 4.654 1.00 1.13 O ATOM 777 CB TRP A 51 -4.603 -10.972 2.054 1.00 44.11 C ATOM 778 CG TRP A 51 -3.241 -10.347 2.105 1.00 54.13 C ATOM 779 CD1 TRP A 51 -2.116 -10.884 1.589 1.00 15.45 C ATOM 780 CD2 TRP A 51 -2.826 -9.112 2.768 1.00 73.23 C ATOM 781 NE1 TRP A 51 -1.023 -10.128 1.978 1.00 12.32 N ATOM 782 CE2 TRP A 51 -1.402 -9.014 2.702 1.00 14.25 C ATOM 783 CE3 TRP A 51 -3.509 -8.076 3.440 1.00 3.14 C ATOM 784 CZ2 TRP A 51 -0.692 -7.963 3.318 1.00 21.04 C ATOM 785 CZ3 TRP A 51 -2.808 -7.044 4.083 1.00 54.50 C ATOM 786 CH2 TRP A 51 -1.407 -6.983 4.026 1.00 42.35 C ATOM 0 H TRP A 51 -4.511 -13.557 1.972 1.00 23.43 H new ATOM 0 HA TRP A 51 -4.345 -11.540 4.081 1.00 2.51 H new ATOM 0 HB2 TRP A 51 -4.710 -11.512 1.113 1.00 44.11 H new ATOM 0 HB3 TRP A 51 -5.356 -10.183 2.057 1.00 44.11 H new ATOM 0 HD1 TRP A 51 -2.074 -11.767 0.968 1.00 15.45 H new ATOM 0 HE1 TRP A 51 -0.056 -10.365 1.757 1.00 12.32 H new ATOM 0 HE3 TRP A 51 -4.589 -8.077 3.460 1.00 3.14 H new ATOM 0 HZ2 TRP A 51 0.384 -7.912 3.247 1.00 21.04 H new ATOM 0 HZ3 TRP A 51 -3.353 -6.288 4.628 1.00 54.50 H new ATOM 0 HH2 TRP A 51 -0.880 -6.184 4.526 1.00 42.35 H new ATOM 797 N ARG A 52 -7.228 -12.535 2.715 1.00 1.14 N ATOM 798 CA ARG A 52 -8.672 -12.463 2.972 1.00 62.12 C ATOM 799 C ARG A 52 -9.131 -13.273 4.191 1.00 14.43 C ATOM 800 O ARG A 52 -10.230 -13.035 4.677 1.00 35.24 O ATOM 801 CB ARG A 52 -9.480 -12.809 1.725 1.00 30.32 C ATOM 802 CG ARG A 52 -9.360 -14.260 1.230 1.00 74.12 C ATOM 803 CD ARG A 52 -8.941 -14.271 -0.248 1.00 71.11 C ATOM 804 NE ARG A 52 -9.025 -15.588 -0.892 1.00 10.40 N ATOM 805 CZ ARG A 52 -10.138 -16.256 -1.209 1.00 34.01 C ATOM 806 NH1 ARG A 52 -11.345 -15.815 -0.884 1.00 13.01 N ATOM 807 NH2 ARG A 52 -10.031 -17.397 -1.862 1.00 1.51 N ATOM 0 H ARG A 52 -6.963 -13.016 1.855 1.00 1.14 H new ATOM 0 HA ARG A 52 -8.872 -11.422 3.228 1.00 62.12 H new ATOM 0 HB2 ARG A 52 -10.531 -12.600 1.926 1.00 30.32 H new ATOM 0 HB3 ARG A 52 -9.171 -12.143 0.919 1.00 30.32 H new ATOM 0 HG2 ARG A 52 -8.627 -14.799 1.830 1.00 74.12 H new ATOM 0 HG3 ARG A 52 -10.313 -14.776 1.352 1.00 74.12 H new ATOM 0 HD2 ARG A 52 -9.571 -13.571 -0.797 1.00 71.11 H new ATOM 0 HD3 ARG A 52 -7.917 -13.907 -0.325 1.00 71.11 H new ATOM 0 HE ARG A 52 -8.140 -16.041 -1.122 1.00 10.40 H new ATOM 0 HH11 ARG A 52 -11.447 -14.937 -0.374 1.00 13.01 H new ATOM 0 HH12 ARG A 52 -12.172 -16.353 -1.144 1.00 13.01 H new ATOM 0 HH21 ARG A 52 -9.110 -17.755 -2.116 1.00 1.51 H new ATOM 0 HH22 ARG A 52 -10.869 -17.922 -2.113 1.00 1.51 H new ATOM 821 N GLN A 53 -8.271 -14.144 4.722 1.00 53.23 N ATOM 822 CA GLN A 53 -8.516 -15.112 5.778 1.00 11.04 C ATOM 823 C GLN A 53 -9.320 -14.528 6.938 1.00 55.11 C ATOM 824 O GLN A 53 -10.317 -15.121 7.350 1.00 50.44 O ATOM 825 CB GLN A 53 -7.131 -15.545 6.301 1.00 23.01 C ATOM 826 CG GLN A 53 -6.763 -16.999 6.026 1.00 65.23 C ATOM 827 CD GLN A 53 -5.306 -17.288 6.406 1.00 11.02 C ATOM 828 OE1 GLN A 53 -4.609 -16.488 7.027 1.00 1.23 O ATOM 829 NE2 GLN A 53 -4.796 -18.458 6.075 1.00 15.24 N ATOM 0 H GLN A 53 -7.307 -14.189 4.393 1.00 53.23 H new ATOM 0 HA GLN A 53 -9.099 -15.941 5.376 1.00 11.04 H new ATOM 0 HB2 GLN A 53 -6.373 -14.903 5.852 1.00 23.01 H new ATOM 0 HB3 GLN A 53 -7.096 -15.375 7.377 1.00 23.01 H new ATOM 0 HG2 GLN A 53 -7.425 -17.656 6.590 1.00 65.23 H new ATOM 0 HG3 GLN A 53 -6.916 -17.221 4.970 1.00 65.23 H new ATOM 0 HE21 GLN A 53 -5.361 -19.133 5.560 1.00 15.24 H new ATOM 0 HE22 GLN A 53 -3.837 -18.688 6.334 1.00 15.24 H new ATOM 838 N ASP A 54 -8.870 -13.392 7.470 1.00 53.13 N ATOM 839 CA ASP A 54 -9.239 -12.913 8.798 1.00 34.24 C ATOM 840 C ASP A 54 -9.678 -11.448 8.727 1.00 23.42 C ATOM 841 O ASP A 54 -9.701 -10.748 9.737 1.00 71.03 O ATOM 842 CB ASP A 54 -8.042 -13.050 9.754 1.00 44.14 C ATOM 843 CG ASP A 54 -7.653 -14.486 10.076 1.00 51.32 C ATOM 844 OD1 ASP A 54 -8.523 -15.269 10.514 1.00 1.52 O ATOM 845 OD2 ASP A 54 -6.450 -14.812 9.913 1.00 13.33 O ATOM 0 H ASP A 54 -8.228 -12.769 6.980 1.00 53.13 H new ATOM 0 HA ASP A 54 -10.068 -13.514 9.171 1.00 34.24 H new ATOM 0 HB2 ASP A 54 -7.182 -12.544 9.315 1.00 44.14 H new ATOM 0 HB3 ASP A 54 -8.275 -12.533 10.685 1.00 44.14 H new ATOM 850 N TYR A 55 -9.922 -10.944 7.513 1.00 62.22 N ATOM 851 CA TYR A 55 -10.038 -9.519 7.220 1.00 44.33 C ATOM 852 C TYR A 55 -11.464 -9.214 6.738 1.00 61.12 C ATOM 853 O TYR A 55 -11.671 -9.045 5.534 1.00 72.21 O ATOM 854 CB TYR A 55 -8.952 -9.097 6.205 1.00 1.01 C ATOM 855 CG TYR A 55 -7.601 -8.750 6.813 1.00 11.45 C ATOM 856 CD1 TYR A 55 -6.957 -9.620 7.713 1.00 33.41 C ATOM 857 CD2 TYR A 55 -6.954 -7.549 6.459 1.00 55.51 C ATOM 858 CE1 TYR A 55 -5.762 -9.247 8.342 1.00 34.43 C ATOM 859 CE2 TYR A 55 -5.771 -7.157 7.105 1.00 75.51 C ATOM 860 CZ TYR A 55 -5.195 -7.984 8.094 1.00 10.12 C ATOM 861 OH TYR A 55 -4.091 -7.588 8.784 1.00 75.54 O ATOM 0 H TYR A 55 -10.047 -11.533 6.690 1.00 62.22 H new ATOM 0 HA TYR A 55 -9.867 -8.929 8.120 1.00 44.33 H new ATOM 0 HB2 TYR A 55 -8.813 -9.906 5.487 1.00 1.01 H new ATOM 0 HB3 TYR A 55 -9.314 -8.234 5.646 1.00 1.01 H new ATOM 0 HD1 TYR A 55 -7.390 -10.587 7.921 1.00 33.41 H new ATOM 0 HD2 TYR A 55 -7.372 -6.924 5.683 1.00 55.51 H new ATOM 0 HE1 TYR A 55 -5.274 -9.932 9.020 1.00 34.43 H new ATOM 0 HE2 TYR A 55 -5.300 -6.220 6.845 1.00 75.51 H new ATOM 0 HH TYR A 55 -3.685 -8.364 9.224 1.00 75.54 H new ATOM 871 N PRO A 56 -12.483 -9.186 7.616 1.00 11.52 N ATOM 872 CA PRO A 56 -13.873 -8.943 7.230 1.00 1.04 C ATOM 873 C PRO A 56 -14.136 -7.510 6.742 1.00 23.33 C ATOM 874 O PRO A 56 -15.222 -7.240 6.223 1.00 22.53 O ATOM 875 CB PRO A 56 -14.707 -9.277 8.472 1.00 32.02 C ATOM 876 CG PRO A 56 -13.745 -9.004 9.623 1.00 4.03 C ATOM 877 CD PRO A 56 -12.394 -9.422 9.047 1.00 54.31 C ATOM 0 HA PRO A 56 -14.139 -9.564 6.374 1.00 1.04 H new ATOM 0 HB2 PRO A 56 -15.599 -8.654 8.537 1.00 32.02 H new ATOM 0 HB3 PRO A 56 -15.042 -10.314 8.465 1.00 32.02 H new ATOM 0 HG2 PRO A 56 -13.752 -7.954 9.915 1.00 4.03 H new ATOM 0 HG3 PRO A 56 -14.002 -9.583 10.510 1.00 4.03 H new ATOM 0 HD2 PRO A 56 -11.584 -8.842 9.489 1.00 54.31 H new ATOM 0 HD3 PRO A 56 -12.187 -10.471 9.258 1.00 54.31 H new ATOM 885 N GLU A 57 -13.164 -6.606 6.839 1.00 64.31 N ATOM 886 CA GLU A 57 -13.171 -5.262 6.269 1.00 40.43 C ATOM 887 C GLU A 57 -11.760 -4.965 5.739 1.00 22.13 C ATOM 888 O GLU A 57 -10.810 -5.674 6.094 1.00 73.34 O ATOM 889 CB GLU A 57 -13.614 -4.239 7.333 1.00 31.04 C ATOM 890 CG GLU A 57 -15.144 -4.118 7.388 1.00 54.31 C ATOM 891 CD GLU A 57 -15.593 -3.007 8.345 1.00 31.32 C ATOM 892 OE1 GLU A 57 -15.143 -3.036 9.516 1.00 61.11 O ATOM 893 OE2 GLU A 57 -16.404 -2.147 7.922 1.00 1.32 O ATOM 0 H GLU A 57 -12.302 -6.804 7.346 1.00 64.31 H new ATOM 0 HA GLU A 57 -13.882 -5.191 5.446 1.00 40.43 H new ATOM 0 HB2 GLU A 57 -13.236 -4.540 8.310 1.00 31.04 H new ATOM 0 HB3 GLU A 57 -13.178 -3.266 7.108 1.00 31.04 H new ATOM 0 HG2 GLU A 57 -15.529 -3.914 6.389 1.00 54.31 H new ATOM 0 HG3 GLU A 57 -15.573 -5.068 7.707 1.00 54.31 H new ATOM 900 N PRO A 58 -11.587 -3.962 4.868 1.00 24.43 N ATOM 901 CA PRO A 58 -10.287 -3.658 4.301 1.00 3.24 C ATOM 902 C PRO A 58 -9.404 -2.931 5.337 1.00 72.45 C ATOM 903 O PRO A 58 -9.912 -2.366 6.307 1.00 73.31 O ATOM 904 CB PRO A 58 -10.605 -2.791 3.089 1.00 24.11 C ATOM 905 CG PRO A 58 -11.829 -2.008 3.544 1.00 22.22 C ATOM 906 CD PRO A 58 -12.599 -3.080 4.310 1.00 3.12 C ATOM 0 HA PRO A 58 -9.719 -4.544 4.016 1.00 3.24 H new ATOM 0 HB2 PRO A 58 -9.775 -2.132 2.835 1.00 24.11 H new ATOM 0 HB3 PRO A 58 -10.816 -3.393 2.205 1.00 24.11 H new ATOM 0 HG2 PRO A 58 -11.564 -1.161 4.176 1.00 22.22 H new ATOM 0 HG3 PRO A 58 -12.400 -1.612 2.704 1.00 22.22 H new ATOM 0 HD2 PRO A 58 -13.210 -2.637 5.096 1.00 3.12 H new ATOM 0 HD3 PRO A 58 -13.274 -3.625 3.650 1.00 3.12 H new ATOM 914 N PRO A 59 -8.073 -2.959 5.169 1.00 54.54 N ATOM 915 CA PRO A 59 -7.155 -2.350 6.114 1.00 22.34 C ATOM 916 C PRO A 59 -7.105 -0.825 5.965 1.00 31.23 C ATOM 917 O PRO A 59 -6.572 -0.298 4.985 1.00 1.45 O ATOM 918 CB PRO A 59 -5.807 -3.011 5.844 1.00 73.43 C ATOM 919 CG PRO A 59 -5.874 -3.416 4.373 1.00 52.43 C ATOM 920 CD PRO A 59 -7.352 -3.708 4.152 1.00 34.31 C ATOM 0 HA PRO A 59 -7.471 -2.508 7.145 1.00 22.34 H new ATOM 0 HB2 PRO A 59 -4.982 -2.323 6.030 1.00 73.43 H new ATOM 0 HB3 PRO A 59 -5.652 -3.876 6.488 1.00 73.43 H new ATOM 0 HG2 PRO A 59 -5.521 -2.618 3.720 1.00 52.43 H new ATOM 0 HG3 PRO A 59 -5.257 -4.291 4.169 1.00 52.43 H new ATOM 0 HD2 PRO A 59 -7.663 -3.405 3.152 1.00 34.31 H new ATOM 0 HD3 PRO A 59 -7.555 -4.776 4.239 1.00 34.31 H new ATOM 928 N ASP A 60 -7.621 -0.121 6.971 1.00 62.23 N ATOM 929 CA ASP A 60 -7.390 1.302 7.199 1.00 70.31 C ATOM 930 C ASP A 60 -5.990 1.500 7.782 1.00 54.22 C ATOM 931 O ASP A 60 -5.774 1.230 8.967 1.00 14.14 O ATOM 932 CB ASP A 60 -8.428 1.861 8.181 1.00 74.13 C ATOM 933 CG ASP A 60 -8.470 3.388 8.134 1.00 63.33 C ATOM 934 OD1 ASP A 60 -7.394 4.031 8.143 1.00 41.32 O ATOM 935 OD2 ASP A 60 -9.603 3.924 8.086 1.00 14.20 O ATOM 0 H ASP A 60 -8.231 -0.541 7.672 1.00 62.23 H new ATOM 0 HA ASP A 60 -7.478 1.830 6.250 1.00 70.31 H new ATOM 0 HB2 ASP A 60 -9.413 1.460 7.940 1.00 74.13 H new ATOM 0 HB3 ASP A 60 -8.189 1.532 9.192 1.00 74.13 H new ATOM 940 N PHE A 61 -5.015 1.916 6.973 1.00 75.13 N ATOM 941 CA PHE A 61 -3.657 2.187 7.456 1.00 22.43 C ATOM 942 C PHE A 61 -3.498 3.598 8.032 1.00 13.24 C ATOM 943 O PHE A 61 -2.397 3.951 8.468 1.00 65.02 O ATOM 944 CB PHE A 61 -2.638 2.025 6.322 1.00 32.12 C ATOM 945 CG PHE A 61 -2.627 0.669 5.659 1.00 52.00 C ATOM 946 CD1 PHE A 61 -3.487 0.415 4.577 1.00 74.13 C ATOM 947 CD2 PHE A 61 -1.743 -0.332 6.105 1.00 65.55 C ATOM 948 CE1 PHE A 61 -3.456 -0.829 3.937 1.00 62.22 C ATOM 949 CE2 PHE A 61 -1.728 -1.586 5.476 1.00 42.03 C ATOM 950 CZ PHE A 61 -2.583 -1.830 4.391 1.00 50.32 C ATOM 0 H PHE A 61 -5.140 2.074 5.973 1.00 75.13 H new ATOM 0 HA PHE A 61 -3.476 1.464 8.251 1.00 22.43 H new ATOM 0 HB2 PHE A 61 -2.839 2.781 5.563 1.00 32.12 H new ATOM 0 HB3 PHE A 61 -1.643 2.227 6.718 1.00 32.12 H new ATOM 0 HD1 PHE A 61 -4.171 1.179 4.240 1.00 74.13 H new ATOM 0 HD2 PHE A 61 -1.076 -0.134 6.931 1.00 65.55 H new ATOM 0 HE1 PHE A 61 -4.104 -1.019 3.094 1.00 62.22 H new ATOM 0 HE2 PHE A 61 -1.061 -2.360 5.826 1.00 42.03 H new ATOM 0 HZ PHE A 61 -2.569 -2.793 3.902 1.00 50.32 H new ATOM 960 N ILE A 62 -4.529 4.441 7.981 1.00 54.25 N ATOM 961 CA ILE A 62 -4.432 5.850 8.337 1.00 51.31 C ATOM 962 C ILE A 62 -4.766 5.939 9.822 1.00 45.20 C ATOM 963 O ILE A 62 -3.937 6.418 10.600 1.00 71.12 O ATOM 964 CB ILE A 62 -5.351 6.699 7.421 1.00 60.24 C ATOM 965 CG1 ILE A 62 -4.953 6.496 5.937 1.00 23.22 C ATOM 966 CG2 ILE A 62 -5.253 8.193 7.788 1.00 64.25 C ATOM 967 CD1 ILE A 62 -5.938 7.081 4.927 1.00 34.34 C ATOM 0 H ILE A 62 -5.464 4.158 7.688 1.00 54.25 H new ATOM 0 HA ILE A 62 -3.435 6.260 8.179 1.00 51.31 H new ATOM 0 HB ILE A 62 -6.380 6.371 7.566 1.00 60.24 H new ATOM 0 HG12 ILE A 62 -3.974 6.947 5.772 1.00 23.22 H new ATOM 0 HG13 ILE A 62 -4.849 5.428 5.746 1.00 23.22 H new ATOM 0 HG21 ILE A 62 -5.905 8.772 7.134 1.00 64.25 H new ATOM 0 HG22 ILE A 62 -5.560 8.334 8.824 1.00 64.25 H new ATOM 0 HG23 ILE A 62 -4.224 8.531 7.666 1.00 64.25 H new ATOM 0 HD11 ILE A 62 -5.578 6.891 3.916 1.00 34.34 H new ATOM 0 HD12 ILE A 62 -6.914 6.614 5.058 1.00 34.34 H new ATOM 0 HD13 ILE A 62 -6.026 8.156 5.085 1.00 34.34 H new ATOM 979 N ALA A 63 -5.939 5.449 10.228 1.00 52.22 N ATOM 980 CA ALA A 63 -6.269 5.294 11.635 1.00 32.43 C ATOM 981 C ALA A 63 -5.422 4.168 12.226 1.00 4.03 C ATOM 982 O ALA A 63 -4.569 4.407 13.084 1.00 63.33 O ATOM 983 CB ALA A 63 -7.765 5.009 11.804 1.00 52.34 C ATOM 0 H ALA A 63 -6.678 5.152 9.591 1.00 52.22 H new ATOM 0 HA ALA A 63 -6.048 6.219 12.168 1.00 32.43 H new ATOM 0 HB1 ALA A 63 -7.996 4.895 12.863 1.00 52.34 H new ATOM 0 HB2 ALA A 63 -8.342 5.838 11.393 1.00 52.34 H new ATOM 0 HB3 ALA A 63 -8.022 4.091 11.276 1.00 52.34 H new ATOM 989 N SER A 64 -5.657 2.943 11.763 1.00 2.30 N ATOM 990 CA SER A 64 -5.158 1.729 12.383 1.00 75.34 C ATOM 991 C SER A 64 -3.794 1.340 11.808 1.00 33.01 C ATOM 992 O SER A 64 -3.339 1.931 10.825 1.00 25.12 O ATOM 993 CB SER A 64 -6.244 0.658 12.207 1.00 41.22 C ATOM 994 OG SER A 64 -6.371 -0.127 13.370 1.00 45.10 O ATOM 0 H SER A 64 -6.213 2.768 10.926 1.00 2.30 H new ATOM 0 HA SER A 64 -4.972 1.863 13.449 1.00 75.34 H new ATOM 0 HB2 SER A 64 -7.197 1.135 11.980 1.00 41.22 H new ATOM 0 HB3 SER A 64 -5.997 0.020 11.358 1.00 41.22 H new ATOM 0 HG SER A 64 -7.070 -0.801 13.235 1.00 45.10 H new ATOM 1000 N ARG A 65 -3.099 0.363 12.405 1.00 41.02 N ATOM 1001 CA ARG A 65 -1.990 -0.304 11.719 1.00 63.52 C ATOM 1002 C ARG A 65 -1.904 -1.812 12.025 1.00 43.51 C ATOM 1003 O ARG A 65 -0.804 -2.324 12.238 1.00 43.04 O ATOM 1004 CB ARG A 65 -0.680 0.470 12.018 1.00 31.10 C ATOM 1005 CG ARG A 65 -0.286 0.780 13.475 1.00 3.14 C ATOM 1006 CD ARG A 65 0.085 -0.465 14.283 1.00 24.34 C ATOM 1007 NE ARG A 65 0.517 -0.159 15.658 1.00 25.02 N ATOM 1008 CZ ARG A 65 1.470 -0.828 16.318 1.00 21.34 C ATOM 1009 NH1 ARG A 65 2.316 -1.623 15.666 1.00 20.45 N ATOM 1010 NH2 ARG A 65 1.581 -0.708 17.634 1.00 21.24 N ATOM 0 H ARG A 65 -3.283 0.022 13.349 1.00 41.02 H new ATOM 0 HA ARG A 65 -2.169 -0.274 10.644 1.00 63.52 H new ATOM 0 HB2 ARG A 65 0.139 -0.095 11.573 1.00 31.10 H new ATOM 0 HB3 ARG A 65 -0.736 1.421 11.488 1.00 31.10 H new ATOM 0 HG2 ARG A 65 0.558 1.470 13.476 1.00 3.14 H new ATOM 0 HG3 ARG A 65 -1.115 1.290 13.967 1.00 3.14 H new ATOM 0 HD2 ARG A 65 -0.774 -1.135 14.320 1.00 24.34 H new ATOM 0 HD3 ARG A 65 0.884 -0.999 13.769 1.00 24.34 H new ATOM 0 HE ARG A 65 0.059 0.615 16.139 1.00 25.02 H new ATOM 0 HH11 ARG A 65 2.241 -1.727 14.654 1.00 20.45 H new ATOM 0 HH12 ARG A 65 3.039 -2.128 16.179 1.00 20.45 H new ATOM 0 HH21 ARG A 65 0.939 -0.104 18.147 1.00 21.24 H new ATOM 0 HH22 ARG A 65 2.309 -1.220 18.133 1.00 21.24 H new ATOM 1024 N PRO A 66 -2.986 -2.592 11.869 1.00 52.34 N ATOM 1025 CA PRO A 66 -2.945 -4.031 12.048 1.00 64.23 C ATOM 1026 C PRO A 66 -2.182 -4.651 10.882 1.00 45.12 C ATOM 1027 O PRO A 66 -1.194 -5.366 11.076 1.00 62.14 O ATOM 1028 CB PRO A 66 -4.409 -4.490 12.113 1.00 52.04 C ATOM 1029 CG PRO A 66 -5.145 -3.417 11.317 1.00 73.32 C ATOM 1030 CD PRO A 66 -4.357 -2.170 11.674 1.00 62.23 C ATOM 0 HA PRO A 66 -2.428 -4.339 12.957 1.00 64.23 H new ATOM 0 HB2 PRO A 66 -4.541 -5.479 11.674 1.00 52.04 H new ATOM 0 HB3 PRO A 66 -4.768 -4.547 13.141 1.00 52.04 H new ATOM 0 HG2 PRO A 66 -5.128 -3.619 10.246 1.00 73.32 H new ATOM 0 HG3 PRO A 66 -6.192 -3.337 11.610 1.00 73.32 H new ATOM 0 HD2 PRO A 66 -4.425 -1.427 10.879 1.00 62.23 H new ATOM 0 HD3 PRO A 66 -4.753 -1.707 12.578 1.00 62.23 H new ATOM 1038 N ALA A 67 -2.617 -4.340 9.658 1.00 61.11 N ATOM 1039 CA ALA A 67 -2.107 -4.931 8.440 1.00 24.32 C ATOM 1040 C ALA A 67 -0.697 -4.475 8.129 1.00 10.33 C ATOM 1041 O ALA A 67 -0.041 -5.131 7.337 1.00 11.54 O ATOM 1042 CB ALA A 67 -3.022 -4.581 7.276 1.00 13.02 C ATOM 0 H ALA A 67 -3.352 -3.652 9.494 1.00 61.11 H new ATOM 0 HA ALA A 67 -2.081 -6.011 8.588 1.00 24.32 H new ATOM 0 HB1 ALA A 67 -2.634 -5.028 6.361 1.00 13.02 H new ATOM 0 HB2 ALA A 67 -4.023 -4.966 7.472 1.00 13.02 H new ATOM 0 HB3 ALA A 67 -3.066 -3.498 7.160 1.00 13.02 H new ATOM 1048 N THR A 68 -0.195 -3.416 8.752 1.00 24.21 N ATOM 1049 CA THR A 68 1.189 -2.997 8.626 1.00 62.12 C ATOM 1050 C THR A 68 2.152 -4.138 9.011 1.00 20.34 C ATOM 1051 O THR A 68 3.170 -4.345 8.345 1.00 33.23 O ATOM 1052 CB THR A 68 1.342 -1.718 9.458 1.00 43.21 C ATOM 1053 OG1 THR A 68 0.403 -0.762 8.991 1.00 73.40 O ATOM 1054 CG2 THR A 68 2.738 -1.134 9.348 1.00 41.24 C ATOM 0 H THR A 68 -0.748 -2.818 9.366 1.00 24.21 H new ATOM 0 HA THR A 68 1.458 -2.769 7.595 1.00 62.12 H new ATOM 0 HB THR A 68 1.166 -1.967 10.505 1.00 43.21 H new ATOM 0 HG1 THR A 68 0.591 0.108 9.400 1.00 73.40 H new ATOM 0 HG21 THR A 68 2.803 -0.229 9.953 1.00 41.24 H new ATOM 0 HG22 THR A 68 3.466 -1.862 9.705 1.00 41.24 H new ATOM 0 HG23 THR A 68 2.950 -0.890 8.307 1.00 41.24 H new ATOM 1062 N VAL A 69 1.797 -4.969 9.996 1.00 23.42 N ATOM 1063 CA VAL A 69 2.534 -6.189 10.324 1.00 32.04 C ATOM 1064 C VAL A 69 2.507 -7.140 9.120 1.00 32.34 C ATOM 1065 O VAL A 69 3.532 -7.697 8.722 1.00 13.35 O ATOM 1066 CB VAL A 69 1.916 -6.838 11.583 1.00 22.32 C ATOM 1067 CG1 VAL A 69 2.658 -8.121 11.993 1.00 24.22 C ATOM 1068 CG2 VAL A 69 1.916 -5.850 12.767 1.00 31.24 C ATOM 0 H VAL A 69 0.984 -4.811 10.591 1.00 23.42 H new ATOM 0 HA VAL A 69 3.576 -5.957 10.544 1.00 32.04 H new ATOM 0 HB VAL A 69 0.890 -7.101 11.327 1.00 22.32 H new ATOM 0 HG11 VAL A 69 2.190 -8.544 12.882 1.00 24.22 H new ATOM 0 HG12 VAL A 69 2.610 -8.845 11.179 1.00 24.22 H new ATOM 0 HG13 VAL A 69 3.700 -7.885 12.209 1.00 24.22 H new ATOM 0 HG21 VAL A 69 1.476 -6.330 13.641 1.00 31.24 H new ATOM 0 HG22 VAL A 69 2.940 -5.553 12.993 1.00 31.24 H new ATOM 0 HG23 VAL A 69 1.332 -4.968 12.505 1.00 31.24 H new ATOM 1078 N LYS A 70 1.333 -7.311 8.516 1.00 2.33 N ATOM 1079 CA LYS A 70 1.098 -8.224 7.410 1.00 41.43 C ATOM 1080 C LYS A 70 1.817 -7.771 6.134 1.00 21.24 C ATOM 1081 O LYS A 70 2.396 -8.599 5.434 1.00 73.32 O ATOM 1082 CB LYS A 70 -0.418 -8.375 7.231 1.00 12.31 C ATOM 1083 CG LYS A 70 -0.814 -9.705 6.581 1.00 45.20 C ATOM 1084 CD LYS A 70 -2.330 -9.888 6.722 1.00 13.31 C ATOM 1085 CE LYS A 70 -2.792 -11.321 6.454 1.00 23.42 C ATOM 1086 NZ LYS A 70 -2.712 -12.190 7.648 1.00 33.25 N ATOM 0 H LYS A 70 0.496 -6.800 8.795 1.00 2.33 H new ATOM 0 HA LYS A 70 1.522 -9.203 7.633 1.00 41.43 H new ATOM 0 HB2 LYS A 70 -0.903 -8.294 8.204 1.00 12.31 H new ATOM 0 HB3 LYS A 70 -0.790 -7.553 6.619 1.00 12.31 H new ATOM 0 HG2 LYS A 70 -0.529 -9.711 5.529 1.00 45.20 H new ATOM 0 HG3 LYS A 70 -0.287 -10.531 7.059 1.00 45.20 H new ATOM 0 HD2 LYS A 70 -2.632 -9.598 7.728 1.00 13.31 H new ATOM 0 HD3 LYS A 70 -2.836 -9.215 6.031 1.00 13.31 H new ATOM 0 HE2 LYS A 70 -3.820 -11.303 6.093 1.00 23.42 H new ATOM 0 HE3 LYS A 70 -2.183 -11.750 5.658 1.00 23.42 H new ATOM 0 HZ1 LYS A 70 -3.038 -13.147 7.403 1.00 33.25 H new ATOM 0 HZ2 LYS A 70 -1.727 -12.234 7.980 1.00 33.25 H new ATOM 0 HZ3 LYS A 70 -3.314 -11.801 8.401 1.00 33.25 H new ATOM 1100 N LEU A 71 1.860 -6.463 5.855 1.00 71.41 N ATOM 1101 CA LEU A 71 2.643 -5.896 4.758 1.00 72.33 C ATOM 1102 C LEU A 71 4.110 -6.255 4.948 1.00 5.04 C ATOM 1103 O LEU A 71 4.790 -6.597 3.989 1.00 10.10 O ATOM 1104 CB LEU A 71 2.565 -4.359 4.701 1.00 44.33 C ATOM 1105 CG LEU A 71 1.206 -3.699 4.470 1.00 51.15 C ATOM 1106 CD1 LEU A 71 1.409 -2.180 4.488 1.00 54.12 C ATOM 1107 CD2 LEU A 71 0.402 -4.078 3.230 1.00 4.01 C ATOM 0 H LEU A 71 1.346 -5.764 6.391 1.00 71.41 H new ATOM 0 HA LEU A 71 2.228 -6.307 3.838 1.00 72.33 H new ATOM 0 HB2 LEU A 71 2.964 -3.973 5.639 1.00 44.33 H new ATOM 0 HB3 LEU A 71 3.234 -4.024 3.908 1.00 44.33 H new ATOM 0 HG LEU A 71 0.589 -4.087 5.281 1.00 51.15 H new ATOM 0 HD11 LEU A 71 0.453 -1.683 4.325 1.00 54.12 H new ATOM 0 HD12 LEU A 71 1.815 -1.879 5.454 1.00 54.12 H new ATOM 0 HD13 LEU A 71 2.104 -1.896 3.698 1.00 54.12 H new ATOM 0 HD21 LEU A 71 -0.534 -3.520 3.219 1.00 4.01 H new ATOM 0 HD22 LEU A 71 0.978 -3.839 2.336 1.00 4.01 H new ATOM 0 HD23 LEU A 71 0.187 -5.147 3.248 1.00 4.01 H new ATOM 1119 N THR A 72 4.611 -6.152 6.182 1.00 12.43 N ATOM 1120 CA THR A 72 6.019 -6.329 6.497 1.00 13.33 C ATOM 1121 C THR A 72 6.490 -7.734 6.126 1.00 24.24 C ATOM 1122 O THR A 72 7.642 -7.894 5.730 1.00 45.42 O ATOM 1123 CB THR A 72 6.223 -5.998 7.980 1.00 24.12 C ATOM 1124 OG1 THR A 72 5.857 -4.651 8.203 1.00 22.33 O ATOM 1125 CG2 THR A 72 7.651 -6.240 8.452 1.00 2.52 C ATOM 0 H THR A 72 4.036 -5.940 6.998 1.00 12.43 H new ATOM 0 HA THR A 72 6.633 -5.651 5.905 1.00 13.33 H new ATOM 0 HB THR A 72 5.590 -6.669 8.560 1.00 24.12 H new ATOM 0 HG1 THR A 72 4.896 -4.600 8.389 1.00 22.33 H new ATOM 0 HG21 THR A 72 7.732 -5.988 9.509 1.00 2.52 H new ATOM 0 HG22 THR A 72 7.909 -7.289 8.308 1.00 2.52 H new ATOM 0 HG23 THR A 72 8.335 -5.616 7.876 1.00 2.52 H new ATOM 1133 N ARG A 73 5.614 -8.738 6.200 1.00 13.24 N ATOM 1134 CA ARG A 73 5.906 -10.106 5.771 1.00 72.24 C ATOM 1135 C ARG A 73 6.440 -10.094 4.335 1.00 60.04 C ATOM 1136 O ARG A 73 7.517 -10.631 4.068 1.00 25.15 O ATOM 1137 CB ARG A 73 4.669 -11.025 5.880 1.00 60.41 C ATOM 1138 CG ARG A 73 3.888 -10.907 7.202 1.00 74.34 C ATOM 1139 CD ARG A 73 3.811 -12.188 8.020 1.00 24.23 C ATOM 1140 NE ARG A 73 2.745 -13.112 7.573 1.00 40.43 N ATOM 1141 CZ ARG A 73 2.240 -14.057 8.377 1.00 74.43 C ATOM 1142 NH1 ARG A 73 2.877 -14.387 9.490 1.00 31.43 N ATOM 1143 NH2 ARG A 73 1.084 -14.656 8.125 1.00 53.50 N ATOM 0 H ARG A 73 4.669 -8.621 6.565 1.00 13.24 H new ATOM 0 HA ARG A 73 6.666 -10.512 6.439 1.00 72.24 H new ATOM 0 HB2 ARG A 73 3.994 -10.800 5.055 1.00 60.41 H new ATOM 0 HB3 ARG A 73 4.991 -12.059 5.756 1.00 60.41 H new ATOM 0 HG2 ARG A 73 4.351 -10.131 7.812 1.00 74.34 H new ATOM 0 HG3 ARG A 73 2.874 -10.574 6.979 1.00 74.34 H new ATOM 0 HD2 ARG A 73 4.771 -12.701 7.967 1.00 24.23 H new ATOM 0 HD3 ARG A 73 3.643 -11.932 9.066 1.00 24.23 H new ATOM 0 HE ARG A 73 2.383 -13.027 6.623 1.00 40.43 H new ATOM 0 HH11 ARG A 73 3.751 -13.922 9.734 1.00 31.43 H new ATOM 0 HH12 ARG A 73 2.493 -15.106 10.103 1.00 31.43 H new ATOM 0 HH21 ARG A 73 0.548 -14.401 7.296 1.00 53.50 H new ATOM 0 HH22 ARG A 73 0.731 -15.371 8.761 1.00 53.50 H new ATOM 1157 N SER A 74 5.714 -9.416 3.446 1.00 40.23 N ATOM 1158 CA SER A 74 5.996 -9.278 2.024 1.00 44.42 C ATOM 1159 C SER A 74 7.083 -8.225 1.716 1.00 61.14 C ATOM 1160 O SER A 74 7.444 -8.057 0.551 1.00 32.25 O ATOM 1161 CB SER A 74 4.673 -8.942 1.310 1.00 4.22 C ATOM 1162 OG SER A 74 3.632 -9.834 1.701 1.00 43.03 O ATOM 0 H SER A 74 4.865 -8.921 3.719 1.00 40.23 H new ATOM 0 HA SER A 74 6.404 -10.220 1.657 1.00 44.42 H new ATOM 0 HB2 SER A 74 4.383 -7.917 1.541 1.00 4.22 H new ATOM 0 HB3 SER A 74 4.816 -8.997 0.231 1.00 4.22 H new ATOM 0 HG SER A 74 2.804 -9.596 1.234 1.00 43.03 H new ATOM 1168 N ILE A 75 7.643 -7.533 2.720 1.00 53.33 N ATOM 1169 CA ILE A 75 8.731 -6.564 2.559 1.00 24.13 C ATOM 1170 C ILE A 75 10.019 -7.208 3.122 1.00 21.15 C ATOM 1171 O ILE A 75 10.339 -7.014 4.302 1.00 45.24 O ATOM 1172 CB ILE A 75 8.379 -5.201 3.205 1.00 60.33 C ATOM 1173 CG1 ILE A 75 7.088 -4.563 2.640 1.00 33.32 C ATOM 1174 CG2 ILE A 75 9.522 -4.190 2.974 1.00 75.41 C ATOM 1175 CD1 ILE A 75 6.489 -3.547 3.621 1.00 24.24 C ATOM 0 H ILE A 75 7.342 -7.636 3.689 1.00 53.33 H new ATOM 0 HA ILE A 75 8.892 -6.331 1.507 1.00 24.13 H new ATOM 0 HB ILE A 75 8.228 -5.414 4.263 1.00 60.33 H new ATOM 0 HG12 ILE A 75 7.308 -4.070 1.693 1.00 33.32 H new ATOM 0 HG13 ILE A 75 6.356 -5.343 2.430 1.00 33.32 H new ATOM 0 HG21 ILE A 75 9.262 -3.236 3.433 1.00 75.41 H new ATOM 0 HG22 ILE A 75 10.440 -4.570 3.422 1.00 75.41 H new ATOM 0 HG23 ILE A 75 9.672 -4.049 1.904 1.00 75.41 H new ATOM 0 HD11 ILE A 75 5.583 -3.118 3.193 1.00 24.24 H new ATOM 0 HD12 ILE A 75 6.245 -4.047 4.559 1.00 24.24 H new ATOM 0 HD13 ILE A 75 7.212 -2.754 3.810 1.00 24.24 H new ATOM 1187 N PRO A 76 10.756 -8.002 2.327 1.00 34.43 N ATOM 1188 CA PRO A 76 11.991 -8.654 2.749 1.00 2.25 C ATOM 1189 C PRO A 76 13.119 -7.625 2.964 1.00 73.35 C ATOM 1190 O PRO A 76 13.002 -6.459 2.578 1.00 12.13 O ATOM 1191 CB PRO A 76 12.287 -9.639 1.613 1.00 1.02 C ATOM 1192 CG PRO A 76 11.809 -8.889 0.390 1.00 24.22 C ATOM 1193 CD PRO A 76 10.511 -8.291 0.924 1.00 43.30 C ATOM 0 HA PRO A 76 11.907 -9.162 3.710 1.00 2.25 H new ATOM 0 HB2 PRO A 76 13.348 -9.879 1.552 1.00 1.02 H new ATOM 0 HB3 PRO A 76 11.754 -10.581 1.744 1.00 1.02 H new ATOM 0 HG2 PRO A 76 12.517 -8.125 0.069 1.00 24.22 H new ATOM 0 HG3 PRO A 76 11.643 -9.548 -0.462 1.00 24.22 H new ATOM 0 HD2 PRO A 76 10.244 -7.385 0.379 1.00 43.30 H new ATOM 0 HD3 PRO A 76 9.682 -8.989 0.807 1.00 43.30 H new ATOM 1201 N ALA A 77 14.228 -8.052 3.572 1.00 21.41 N ATOM 1202 CA ALA A 77 15.399 -7.223 3.853 1.00 35.53 C ATOM 1203 C ALA A 77 15.972 -6.530 2.605 1.00 40.14 C ATOM 1204 O ALA A 77 16.241 -5.331 2.679 1.00 4.53 O ATOM 1205 CB ALA A 77 16.466 -8.047 4.580 1.00 61.41 C ATOM 0 H ALA A 77 14.338 -9.014 3.892 1.00 21.41 H new ATOM 0 HA ALA A 77 15.068 -6.415 4.506 1.00 35.53 H new ATOM 0 HB1 ALA A 77 17.334 -7.420 4.784 1.00 61.41 H new ATOM 0 HB2 ALA A 77 16.059 -8.421 5.520 1.00 61.41 H new ATOM 0 HB3 ALA A 77 16.765 -8.888 3.954 1.00 61.41 H new ATOM 1211 N PRO A 78 16.139 -7.196 1.450 1.00 73.14 N ATOM 1212 CA PRO A 78 16.620 -6.545 0.232 1.00 54.33 C ATOM 1213 C PRO A 78 15.632 -5.551 -0.411 1.00 20.34 C ATOM 1214 O PRO A 78 15.973 -5.003 -1.457 1.00 60.01 O ATOM 1215 CB PRO A 78 16.969 -7.701 -0.715 1.00 12.23 C ATOM 1216 CG PRO A 78 16.029 -8.808 -0.271 1.00 22.21 C ATOM 1217 CD PRO A 78 16.101 -8.638 1.234 1.00 12.30 C ATOM 0 HA PRO A 78 17.474 -5.908 0.463 1.00 54.33 H new ATOM 0 HB2 PRO A 78 16.808 -7.430 -1.758 1.00 12.23 H new ATOM 0 HB3 PRO A 78 18.014 -7.998 -0.621 1.00 12.23 H new ATOM 0 HG2 PRO A 78 15.018 -8.674 -0.656 1.00 22.21 H new ATOM 0 HG3 PRO A 78 16.365 -9.793 -0.594 1.00 22.21 H new ATOM 0 HD2 PRO A 78 15.237 -9.088 1.724 1.00 12.30 H new ATOM 0 HD3 PRO A 78 16.988 -9.122 1.644 1.00 12.30 H new ATOM 1225 N TYR A 79 14.437 -5.312 0.156 1.00 11.23 N ATOM 1226 CA TYR A 79 13.404 -4.427 -0.409 1.00 40.02 C ATOM 1227 C TYR A 79 12.987 -3.304 0.550 1.00 20.32 C ATOM 1228 O TYR A 79 11.973 -2.636 0.339 1.00 13.41 O ATOM 1229 CB TYR A 79 12.188 -5.248 -0.880 1.00 15.23 C ATOM 1230 CG TYR A 79 12.401 -6.135 -2.094 1.00 14.10 C ATOM 1231 CD1 TYR A 79 13.394 -5.812 -3.031 1.00 41.45 C ATOM 1232 CD2 TYR A 79 11.557 -7.236 -2.347 1.00 64.43 C ATOM 1233 CE1 TYR A 79 13.566 -6.567 -4.188 1.00 13.42 C ATOM 1234 CE2 TYR A 79 11.711 -7.996 -3.521 1.00 64.02 C ATOM 1235 CZ TYR A 79 12.740 -7.679 -4.437 1.00 33.12 C ATOM 1236 OH TYR A 79 12.938 -8.389 -5.576 1.00 22.33 O ATOM 0 H TYR A 79 14.156 -5.738 1.039 1.00 11.23 H new ATOM 0 HA TYR A 79 13.846 -3.933 -1.274 1.00 40.02 H new ATOM 0 HB2 TYR A 79 11.858 -5.876 -0.052 1.00 15.23 H new ATOM 0 HB3 TYR A 79 11.374 -4.557 -1.100 1.00 15.23 H new ATOM 0 HD1 TYR A 79 14.036 -4.963 -2.852 1.00 41.45 H new ATOM 0 HD2 TYR A 79 10.788 -7.497 -1.635 1.00 64.43 H new ATOM 0 HE1 TYR A 79 14.336 -6.299 -4.897 1.00 13.42 H new ATOM 0 HE2 TYR A 79 11.044 -8.821 -3.722 1.00 64.02 H new ATOM 0 HH TYR A 79 12.297 -9.129 -5.616 1.00 22.33 H new ATOM 1246 N LYS A 80 13.740 -3.065 1.624 1.00 4.13 N ATOM 1247 CA LYS A 80 13.350 -2.028 2.593 1.00 61.31 C ATOM 1248 C LYS A 80 13.513 -0.622 2.045 1.00 45.04 C ATOM 1249 O LYS A 80 12.788 0.267 2.488 1.00 12.22 O ATOM 1250 CB LYS A 80 14.168 -2.091 3.890 1.00 12.23 C ATOM 1251 CG LYS A 80 14.159 -3.423 4.632 1.00 32.14 C ATOM 1252 CD LYS A 80 12.749 -3.964 4.836 1.00 13.30 C ATOM 1253 CE LYS A 80 12.694 -5.007 5.949 1.00 54.23 C ATOM 1254 NZ LYS A 80 12.812 -4.387 7.284 1.00 35.10 N ATOM 0 H LYS A 80 14.604 -3.559 1.847 1.00 4.13 H new ATOM 0 HA LYS A 80 12.300 -2.238 2.795 1.00 61.31 H new ATOM 0 HB2 LYS A 80 15.202 -1.838 3.655 1.00 12.23 H new ATOM 0 HB3 LYS A 80 13.797 -1.321 4.566 1.00 12.23 H new ATOM 0 HG2 LYS A 80 14.747 -4.151 4.074 1.00 32.14 H new ATOM 0 HG3 LYS A 80 14.642 -3.299 5.601 1.00 32.14 H new ATOM 0 HD2 LYS A 80 12.076 -3.141 5.076 1.00 13.30 H new ATOM 0 HD3 LYS A 80 12.392 -4.407 3.906 1.00 13.30 H new ATOM 0 HE2 LYS A 80 11.756 -5.558 5.885 1.00 54.23 H new ATOM 0 HE3 LYS A 80 13.498 -5.730 5.811 1.00 54.23 H new ATOM 0 HZ1 LYS A 80 12.553 -5.082 8.013 1.00 35.10 H new ATOM 0 HZ2 LYS A 80 13.792 -4.074 7.436 1.00 35.10 H new ATOM 0 HZ3 LYS A 80 12.174 -3.568 7.344 1.00 35.10 H new ATOM 1268 N GLN A 81 14.465 -0.392 1.144 1.00 30.20 N ATOM 1269 CA GLN A 81 14.813 0.933 0.656 1.00 5.21 C ATOM 1270 C GLN A 81 14.248 1.181 -0.744 1.00 23.53 C ATOM 1271 O GLN A 81 14.650 2.148 -1.380 1.00 75.54 O ATOM 1272 CB GLN A 81 16.335 1.150 0.716 1.00 14.13 C ATOM 1273 CG GLN A 81 16.893 1.194 2.144 1.00 21.31 C ATOM 1274 CD GLN A 81 18.238 1.929 2.239 1.00 52.01 C ATOM 1275 OE1 GLN A 81 18.565 2.794 1.433 1.00 30.23 O ATOM 1276 NE2 GLN A 81 19.038 1.664 3.252 1.00 23.00 N ATOM 0 H GLN A 81 15.024 -1.137 0.727 1.00 30.20 H new ATOM 0 HA GLN A 81 14.351 1.671 1.312 1.00 5.21 H new ATOM 0 HB2 GLN A 81 16.830 0.349 0.166 1.00 14.13 H new ATOM 0 HB3 GLN A 81 16.581 2.084 0.210 1.00 14.13 H new ATOM 0 HG2 GLN A 81 16.170 1.684 2.796 1.00 21.31 H new ATOM 0 HG3 GLN A 81 17.015 0.175 2.512 1.00 21.31 H new ATOM 0 HE21 GLN A 81 18.781 0.948 3.931 1.00 23.00 H new ATOM 0 HE22 GLN A 81 19.914 2.175 3.357 1.00 23.00 H new ATOM 1285 N LEU A 82 13.314 0.369 -1.255 1.00 22.41 N ATOM 1286 CA LEU A 82 12.804 0.554 -2.623 1.00 22.53 C ATOM 1287 C LEU A 82 12.251 1.963 -2.897 1.00 21.20 C ATOM 1288 O LEU A 82 12.284 2.399 -4.041 1.00 63.01 O ATOM 1289 CB LEU A 82 11.781 -0.525 -3.023 1.00 11.33 C ATOM 1290 CG LEU A 82 12.320 -1.964 -3.153 1.00 11.01 C ATOM 1291 CD1 LEU A 82 11.283 -2.851 -3.848 1.00 4.21 C ATOM 1292 CD2 LEU A 82 13.648 -2.086 -3.905 1.00 45.12 C ATOM 0 H LEU A 82 12.899 -0.414 -0.750 1.00 22.41 H new ATOM 0 HA LEU A 82 13.681 0.438 -3.260 1.00 22.53 H new ATOM 0 HB2 LEU A 82 10.979 -0.526 -2.285 1.00 11.33 H new ATOM 0 HB3 LEU A 82 11.337 -0.239 -3.976 1.00 11.33 H new ATOM 0 HG LEU A 82 12.509 -2.290 -2.130 1.00 11.01 H new ATOM 0 HD11 LEU A 82 11.672 -3.865 -3.936 1.00 4.21 H new ATOM 0 HD12 LEU A 82 10.364 -2.864 -3.262 1.00 4.21 H new ATOM 0 HD13 LEU A 82 11.074 -2.456 -4.842 1.00 4.21 H new ATOM 0 HD21 LEU A 82 13.948 -3.133 -3.946 1.00 45.12 H new ATOM 0 HD22 LEU A 82 13.529 -1.702 -4.918 1.00 45.12 H new ATOM 0 HD23 LEU A 82 14.414 -1.509 -3.387 1.00 45.12 H new ATOM 1304 N LEU A 83 11.826 2.733 -1.885 1.00 55.24 N ATOM 1305 CA LEU A 83 11.438 4.132 -2.097 1.00 22.30 C ATOM 1306 C LEU A 83 12.595 4.956 -2.680 1.00 13.33 C ATOM 1307 O LEU A 83 12.339 5.854 -3.481 1.00 33.31 O ATOM 1308 CB LEU A 83 10.921 4.781 -0.800 1.00 22.13 C ATOM 1309 CG LEU A 83 9.497 4.334 -0.405 1.00 71.45 C ATOM 1310 CD1 LEU A 83 9.215 4.591 1.078 1.00 11.02 C ATOM 1311 CD2 LEU A 83 8.423 5.065 -1.223 1.00 51.31 C ATOM 0 H LEU A 83 11.743 2.413 -0.920 1.00 55.24 H new ATOM 0 HA LEU A 83 10.624 4.126 -2.822 1.00 22.30 H new ATOM 0 HB2 LEU A 83 11.606 4.541 0.013 1.00 22.13 H new ATOM 0 HB3 LEU A 83 10.932 5.865 -0.917 1.00 22.13 H new ATOM 0 HG LEU A 83 9.453 3.265 -0.611 1.00 71.45 H new ATOM 0 HD11 LEU A 83 8.203 4.264 1.318 1.00 11.02 H new ATOM 0 HD12 LEU A 83 9.930 4.036 1.686 1.00 11.02 H new ATOM 0 HD13 LEU A 83 9.311 5.656 1.287 1.00 11.02 H new ATOM 0 HD21 LEU A 83 7.435 4.722 -0.915 1.00 51.31 H new ATOM 0 HD22 LEU A 83 8.504 6.139 -1.053 1.00 51.31 H new ATOM 0 HD23 LEU A 83 8.566 4.854 -2.283 1.00 51.31 H new ATOM 1323 N LYS A 84 13.854 4.669 -2.328 1.00 52.25 N ATOM 1324 CA LYS A 84 15.034 5.344 -2.855 1.00 24.11 C ATOM 1325 C LYS A 84 15.742 4.518 -3.921 1.00 3.31 C ATOM 1326 O LYS A 84 16.371 5.089 -4.811 1.00 62.02 O ATOM 1327 CB LYS A 84 15.981 5.827 -1.744 1.00 4.23 C ATOM 1328 CG LYS A 84 15.930 5.108 -0.391 1.00 53.13 C ATOM 1329 CD LYS A 84 17.164 5.310 0.497 1.00 64.15 C ATOM 1330 CE LYS A 84 17.524 6.767 0.771 1.00 55.50 C ATOM 1331 NZ LYS A 84 18.893 6.931 1.311 1.00 24.34 N ATOM 0 H LYS A 84 14.080 3.941 -1.651 1.00 52.25 H new ATOM 0 HA LYS A 84 14.680 6.245 -3.356 1.00 24.11 H new ATOM 0 HB2 LYS A 84 17.001 5.757 -2.121 1.00 4.23 H new ATOM 0 HB3 LYS A 84 15.778 6.883 -1.568 1.00 4.23 H new ATOM 0 HG2 LYS A 84 15.050 5.451 0.153 1.00 53.13 H new ATOM 0 HG3 LYS A 84 15.799 4.040 -0.568 1.00 53.13 H new ATOM 0 HD2 LYS A 84 16.995 4.807 1.449 1.00 64.15 H new ATOM 0 HD3 LYS A 84 18.017 4.822 0.026 1.00 64.15 H new ATOM 0 HE2 LYS A 84 17.432 7.338 -0.153 1.00 55.50 H new ATOM 0 HE3 LYS A 84 16.808 7.186 1.477 1.00 55.50 H new ATOM 0 HZ1 LYS A 84 19.082 7.940 1.478 1.00 24.34 H new ATOM 0 HZ2 LYS A 84 18.977 6.410 2.207 1.00 24.34 H new ATOM 0 HZ3 LYS A 84 19.583 6.558 0.628 1.00 24.34 H new ATOM 1345 N GLU A 85 15.644 3.199 -3.841 1.00 13.30 N ATOM 1346 CA GLU A 85 16.322 2.272 -4.739 1.00 54.53 C ATOM 1347 C GLU A 85 15.529 2.037 -6.033 1.00 12.15 C ATOM 1348 O GLU A 85 16.062 1.431 -6.959 1.00 1.24 O ATOM 1349 CB GLU A 85 16.641 0.974 -3.978 1.00 20.34 C ATOM 1350 CG GLU A 85 17.613 1.276 -2.824 1.00 74.33 C ATOM 1351 CD GLU A 85 18.125 0.060 -2.050 1.00 25.40 C ATOM 1352 OE1 GLU A 85 17.454 -1.001 -1.977 1.00 4.33 O ATOM 1353 OE2 GLU A 85 19.188 0.215 -1.403 1.00 42.43 O ATOM 0 H GLU A 85 15.078 2.731 -3.133 1.00 13.30 H new ATOM 0 HA GLU A 85 17.264 2.712 -5.065 1.00 54.53 H new ATOM 0 HB2 GLU A 85 15.723 0.535 -3.588 1.00 20.34 H new ATOM 0 HB3 GLU A 85 17.081 0.243 -4.656 1.00 20.34 H new ATOM 0 HG2 GLU A 85 18.471 1.814 -3.228 1.00 74.33 H new ATOM 0 HG3 GLU A 85 17.117 1.947 -2.123 1.00 74.33 H new ATOM 1360 N GLU A 86 14.295 2.543 -6.130 1.00 13.04 N ATOM 1361 CA GLU A 86 13.545 2.658 -7.379 1.00 44.32 C ATOM 1362 C GLU A 86 13.359 4.148 -7.695 1.00 21.14 C ATOM 1363 O GLU A 86 13.834 4.625 -8.728 1.00 70.41 O ATOM 1364 CB GLU A 86 12.192 1.927 -7.301 1.00 2.15 C ATOM 1365 CG GLU A 86 12.294 0.411 -7.000 1.00 12.25 C ATOM 1366 CD GLU A 86 11.705 -0.527 -8.064 1.00 12.12 C ATOM 1367 OE1 GLU A 86 11.488 -0.118 -9.226 1.00 3.32 O ATOM 1368 OE2 GLU A 86 11.398 -1.695 -7.741 1.00 20.45 O ATOM 0 H GLU A 86 13.780 2.891 -5.321 1.00 13.04 H new ATOM 0 HA GLU A 86 14.104 2.178 -8.182 1.00 44.32 H new ATOM 0 HB2 GLU A 86 11.584 2.397 -6.528 1.00 2.15 H new ATOM 0 HB3 GLU A 86 11.666 2.062 -8.246 1.00 2.15 H new ATOM 0 HG2 GLU A 86 13.345 0.158 -6.863 1.00 12.25 H new ATOM 0 HG3 GLU A 86 11.792 0.214 -6.053 1.00 12.25 H new ATOM 1375 N LEU A 87 12.686 4.900 -6.810 1.00 53.31 N ATOM 1376 CA LEU A 87 12.358 6.303 -7.074 1.00 42.23 C ATOM 1377 C LEU A 87 13.556 7.201 -6.774 1.00 13.10 C ATOM 1378 O LEU A 87 14.091 7.845 -7.671 1.00 43.22 O ATOM 1379 CB LEU A 87 11.126 6.816 -6.295 1.00 5.15 C ATOM 1380 CG LEU A 87 9.943 5.864 -6.112 1.00 74.30 C ATOM 1381 CD1 LEU A 87 8.892 6.505 -5.199 1.00 73.41 C ATOM 1382 CD2 LEU A 87 9.300 5.472 -7.439 1.00 24.11 C ATOM 0 H LEU A 87 12.360 4.557 -5.907 1.00 53.31 H new ATOM 0 HA LEU A 87 12.104 6.348 -8.133 1.00 42.23 H new ATOM 0 HB2 LEU A 87 11.462 7.125 -5.305 1.00 5.15 H new ATOM 0 HB3 LEU A 87 10.760 7.710 -6.800 1.00 5.15 H new ATOM 0 HG LEU A 87 10.331 4.954 -5.655 1.00 74.30 H new ATOM 0 HD11 LEU A 87 8.053 5.821 -5.074 1.00 73.41 H new ATOM 0 HD12 LEU A 87 9.336 6.717 -4.226 1.00 73.41 H new ATOM 0 HD13 LEU A 87 8.539 7.434 -5.647 1.00 73.41 H new ATOM 0 HD21 LEU A 87 8.466 4.796 -7.253 1.00 24.11 H new ATOM 0 HD22 LEU A 87 8.936 6.366 -7.945 1.00 24.11 H new ATOM 0 HD23 LEU A 87 10.038 4.974 -8.068 1.00 24.11 H new ATOM 1394 N GLY A 88 13.919 7.299 -5.493 1.00 71.23 N ATOM 1395 CA GLY A 88 14.797 8.331 -4.952 1.00 12.44 C ATOM 1396 C GLY A 88 14.194 9.058 -3.740 1.00 74.24 C ATOM 1397 O GLY A 88 14.715 10.103 -3.351 1.00 43.30 O ATOM 0 H GLY A 88 13.598 6.640 -4.784 1.00 71.23 H new ATOM 0 HA2 GLY A 88 15.745 7.878 -4.662 1.00 12.44 H new ATOM 0 HA3 GLY A 88 15.017 9.059 -5.733 1.00 12.44 H new ATOM 1401 N PHE A 89 13.088 8.586 -3.151 1.00 43.04 N ATOM 1402 CA PHE A 89 12.516 9.142 -1.924 1.00 52.31 C ATOM 1403 C PHE A 89 13.087 8.416 -0.703 1.00 65.14 C ATOM 1404 O PHE A 89 13.377 7.226 -0.775 1.00 74.13 O ATOM 1405 CB PHE A 89 10.992 8.979 -1.950 1.00 3.01 C ATOM 1406 CG PHE A 89 10.314 9.484 -0.689 1.00 53.52 C ATOM 1407 CD1 PHE A 89 10.225 10.865 -0.435 1.00 54.34 C ATOM 1408 CD2 PHE A 89 9.831 8.572 0.267 1.00 4.02 C ATOM 1409 CE1 PHE A 89 9.660 11.325 0.767 1.00 20.31 C ATOM 1410 CE2 PHE A 89 9.258 9.028 1.464 1.00 34.30 C ATOM 1411 CZ PHE A 89 9.175 10.406 1.713 1.00 14.13 C ATOM 0 H PHE A 89 12.560 7.796 -3.521 1.00 43.04 H new ATOM 0 HA PHE A 89 12.770 10.200 -1.860 1.00 52.31 H new ATOM 0 HB2 PHE A 89 10.591 9.515 -2.810 1.00 3.01 H new ATOM 0 HB3 PHE A 89 10.748 7.926 -2.089 1.00 3.01 H new ATOM 0 HD1 PHE A 89 10.591 11.572 -1.164 1.00 54.34 H new ATOM 0 HD2 PHE A 89 9.902 7.511 0.078 1.00 4.02 H new ATOM 0 HE1 PHE A 89 9.599 12.385 0.964 1.00 20.31 H new ATOM 0 HE2 PHE A 89 8.883 8.322 2.190 1.00 34.30 H new ATOM 0 HZ PHE A 89 8.737 10.762 2.634 1.00 14.13 H new ATOM 1421 N ALA A 90 13.185 9.088 0.447 1.00 24.20 N ATOM 1422 CA ALA A 90 13.731 8.498 1.668 1.00 73.55 C ATOM 1423 C ALA A 90 12.836 8.765 2.873 1.00 31.25 C ATOM 1424 O ALA A 90 12.511 7.841 3.621 1.00 64.30 O ATOM 1425 CB ALA A 90 15.129 9.053 1.912 1.00 44.22 C ATOM 0 H ALA A 90 12.887 10.057 0.556 1.00 24.20 H new ATOM 0 HA ALA A 90 13.780 7.417 1.536 1.00 73.55 H new ATOM 0 HB1 ALA A 90 15.540 8.616 2.822 1.00 44.22 H new ATOM 0 HB2 ALA A 90 15.772 8.805 1.067 1.00 44.22 H new ATOM 0 HB3 ALA A 90 15.076 10.136 2.022 1.00 44.22 H new ATOM 1431 N GLY A 91 12.446 10.019 3.084 1.00 13.24 N ATOM 1432 CA GLY A 91 11.585 10.436 4.172 1.00 73.40 C ATOM 1433 C GLY A 91 11.297 11.920 4.030 1.00 23.41 C ATOM 1434 O GLY A 91 11.958 12.614 3.256 1.00 62.43 O ATOM 0 H GLY A 91 12.732 10.791 2.482 1.00 13.24 H new ATOM 0 HA2 GLY A 91 10.655 9.868 4.155 1.00 73.40 H new ATOM 0 HA3 GLY A 91 12.064 10.235 5.130 1.00 73.40 H new ATOM 1438 N TYR A 92 10.302 12.401 4.766 1.00 63.22 N ATOM 1439 CA TYR A 92 9.818 13.769 4.637 1.00 33.14 C ATOM 1440 C TYR A 92 10.638 14.749 5.498 1.00 71.13 C ATOM 1441 O TYR A 92 11.403 14.336 6.382 1.00 52.44 O ATOM 1442 CB TYR A 92 8.332 13.764 5.015 1.00 50.33 C ATOM 1443 CG TYR A 92 7.495 12.759 4.233 1.00 73.40 C ATOM 1444 CD1 TYR A 92 7.170 13.003 2.884 1.00 62.31 C ATOM 1445 CD2 TYR A 92 7.020 11.582 4.846 1.00 62.55 C ATOM 1446 CE1 TYR A 92 6.275 12.162 2.196 1.00 32.21 C ATOM 1447 CE2 TYR A 92 6.153 10.722 4.156 1.00 41.24 C ATOM 1448 CZ TYR A 92 5.732 11.029 2.841 1.00 10.33 C ATOM 1449 OH TYR A 92 4.762 10.284 2.243 1.00 65.11 O ATOM 0 H TYR A 92 9.808 11.852 5.470 1.00 63.22 H new ATOM 0 HA TYR A 92 9.938 14.120 3.612 1.00 33.14 H new ATOM 0 HB2 TYR A 92 8.239 13.548 6.079 1.00 50.33 H new ATOM 0 HB3 TYR A 92 7.924 14.762 4.856 1.00 50.33 H new ATOM 0 HD1 TYR A 92 7.612 13.845 2.372 1.00 62.31 H new ATOM 0 HD2 TYR A 92 7.326 11.341 5.853 1.00 62.55 H new ATOM 0 HE1 TYR A 92 6.003 12.383 1.174 1.00 32.21 H new ATOM 0 HE2 TYR A 92 5.804 9.818 4.633 1.00 41.24 H new ATOM 0 HH TYR A 92 4.222 10.857 1.659 1.00 65.11 H new ATOM 1459 N SER A 93 10.468 16.050 5.244 1.00 51.22 N ATOM 1460 CA SER A 93 10.954 17.128 6.104 1.00 0.44 C ATOM 1461 C SER A 93 10.072 17.272 7.349 1.00 5.43 C ATOM 1462 O SER A 93 8.947 16.772 7.395 1.00 50.50 O ATOM 1463 CB SER A 93 10.884 18.447 5.340 1.00 1.15 C ATOM 1464 OG SER A 93 11.812 18.534 4.272 1.00 35.41 O ATOM 0 H SER A 93 9.978 16.388 4.416 1.00 51.22 H new ATOM 0 HA SER A 93 11.976 16.891 6.400 1.00 0.44 H new ATOM 0 HB2 SER A 93 9.876 18.576 4.946 1.00 1.15 H new ATOM 0 HB3 SER A 93 11.063 19.269 6.033 1.00 1.15 H new ATOM 0 HG SER A 93 11.715 19.400 3.824 1.00 35.41 H new ATOM 1470 N ILE A 94 10.563 18.032 8.332 1.00 1.20 N ATOM 1471 CA ILE A 94 9.884 18.221 9.617 1.00 51.40 C ATOM 1472 C ILE A 94 8.529 18.908 9.458 1.00 53.30 C ATOM 1473 O ILE A 94 7.535 18.486 10.044 1.00 22.41 O ATOM 1474 CB ILE A 94 10.792 18.940 10.636 1.00 35.22 C ATOM 1475 CG1 ILE A 94 10.138 19.041 12.031 1.00 41.31 C ATOM 1476 CG2 ILE A 94 11.175 20.353 10.181 1.00 13.12 C ATOM 1477 CD1 ILE A 94 9.848 17.681 12.674 1.00 11.23 C ATOM 0 H ILE A 94 11.447 18.536 8.258 1.00 1.20 H new ATOM 0 HA ILE A 94 9.676 17.230 10.020 1.00 51.40 H new ATOM 0 HB ILE A 94 11.690 18.326 10.699 1.00 35.22 H new ATOM 0 HG12 ILE A 94 10.793 19.612 12.689 1.00 41.31 H new ATOM 0 HG13 ILE A 94 9.206 19.599 11.946 1.00 41.31 H new ATOM 0 HG21 ILE A 94 11.814 20.816 10.932 1.00 13.12 H new ATOM 0 HG22 ILE A 94 11.711 20.297 9.233 1.00 13.12 H new ATOM 0 HG23 ILE A 94 10.273 20.951 10.053 1.00 13.12 H new ATOM 0 HD11 ILE A 94 9.389 17.831 13.651 1.00 11.23 H new ATOM 0 HD12 ILE A 94 9.168 17.115 12.037 1.00 11.23 H new ATOM 0 HD13 ILE A 94 10.780 17.128 12.792 1.00 11.23 H new ATOM 1489 N ASN A 95 8.496 19.951 8.635 1.00 44.44 N ATOM 1490 CA ASN A 95 7.338 20.796 8.389 1.00 11.23 C ATOM 1491 C ASN A 95 6.162 20.021 7.793 1.00 34.45 C ATOM 1492 O ASN A 95 5.035 20.519 7.839 1.00 41.03 O ATOM 1493 CB ASN A 95 7.726 21.999 7.500 1.00 53.34 C ATOM 1494 CG ASN A 95 8.492 21.655 6.222 1.00 50.33 C ATOM 1495 OD1 ASN A 95 8.681 20.499 5.863 1.00 12.13 O ATOM 1496 ND2 ASN A 95 9.070 22.647 5.564 1.00 74.44 N ATOM 0 H ASN A 95 9.313 20.241 8.098 1.00 44.44 H new ATOM 0 HA ASN A 95 7.000 21.171 9.355 1.00 11.23 H new ATOM 0 HB2 ASN A 95 6.816 22.533 7.225 1.00 53.34 H new ATOM 0 HB3 ASN A 95 8.332 22.685 8.092 1.00 53.34 H new ATOM 0 HD21 ASN A 95 9.669 22.447 4.763 1.00 74.44 H new ATOM 0 HD22 ASN A 95 8.917 23.612 5.858 1.00 74.44 H new ATOM 1503 N GLU A 96 6.383 18.802 7.301 1.00 12.13 N ATOM 1504 CA GLU A 96 5.407 17.991 6.592 1.00 4.14 C ATOM 1505 C GLU A 96 5.141 16.664 7.319 1.00 73.05 C ATOM 1506 O GLU A 96 4.455 15.801 6.772 1.00 21.02 O ATOM 1507 CB GLU A 96 5.943 17.757 5.169 1.00 33.33 C ATOM 1508 CG GLU A 96 5.996 19.030 4.314 1.00 11.13 C ATOM 1509 CD GLU A 96 4.640 19.417 3.722 1.00 53.13 C ATOM 1510 OE1 GLU A 96 3.718 19.845 4.454 1.00 14.41 O ATOM 1511 OE2 GLU A 96 4.481 19.307 2.480 1.00 70.43 O ATOM 0 H GLU A 96 7.287 18.338 7.392 1.00 12.13 H new ATOM 0 HA GLU A 96 4.449 18.509 6.551 1.00 4.14 H new ATOM 0 HB2 GLU A 96 6.944 17.331 5.233 1.00 33.33 H new ATOM 0 HB3 GLU A 96 5.314 17.020 4.670 1.00 33.33 H new ATOM 0 HG2 GLU A 96 6.367 19.854 4.924 1.00 11.13 H new ATOM 0 HG3 GLU A 96 6.711 18.886 3.504 1.00 11.13 H new ATOM 1518 N LEU A 97 5.676 16.441 8.527 1.00 1.50 N ATOM 1519 CA LEU A 97 5.726 15.115 9.153 1.00 4.55 C ATOM 1520 C LEU A 97 4.449 14.721 9.908 1.00 71.02 C ATOM 1521 O LEU A 97 4.461 14.107 10.982 1.00 35.22 O ATOM 1522 CB LEU A 97 7.037 14.977 9.972 1.00 64.02 C ATOM 1523 CG LEU A 97 8.120 14.096 9.319 1.00 51.15 C ATOM 1524 CD1 LEU A 97 9.403 14.109 10.158 1.00 42.00 C ATOM 1525 CD2 LEU A 97 7.669 12.641 9.168 1.00 45.12 C ATOM 0 H LEU A 97 6.088 17.179 9.099 1.00 1.50 H new ATOM 0 HA LEU A 97 5.754 14.368 8.360 1.00 4.55 H new ATOM 0 HB2 LEU A 97 7.450 15.972 10.139 1.00 64.02 H new ATOM 0 HB3 LEU A 97 6.795 14.564 10.951 1.00 64.02 H new ATOM 0 HG LEU A 97 8.302 14.516 8.330 1.00 51.15 H new ATOM 0 HD11 LEU A 97 10.156 13.481 9.681 1.00 42.00 H new ATOM 0 HD12 LEU A 97 9.777 15.130 10.235 1.00 42.00 H new ATOM 0 HD13 LEU A 97 9.189 13.725 11.155 1.00 42.00 H new ATOM 0 HD21 LEU A 97 8.465 12.060 8.703 1.00 45.12 H new ATOM 0 HD22 LEU A 97 7.443 12.226 10.150 1.00 45.12 H new ATOM 0 HD23 LEU A 97 6.777 12.600 8.543 1.00 45.12 H new ATOM 1537 N VAL A 98 3.313 15.025 9.294 1.00 10.41 N ATOM 1538 CA VAL A 98 1.993 14.879 9.879 1.00 24.14 C ATOM 1539 C VAL A 98 1.577 13.413 9.969 1.00 31.12 C ATOM 1540 O VAL A 98 1.933 12.609 9.094 1.00 75.11 O ATOM 1541 CB VAL A 98 0.980 15.723 9.088 1.00 14.44 C ATOM 1542 CG1 VAL A 98 1.371 17.187 9.257 1.00 0.23 C ATOM 1543 CG2 VAL A 98 0.934 15.438 7.583 1.00 4.22 C ATOM 0 H VAL A 98 3.288 15.392 8.343 1.00 10.41 H new ATOM 0 HA VAL A 98 2.019 15.250 10.904 1.00 24.14 H new ATOM 0 HB VAL A 98 -0.004 15.473 9.485 1.00 14.44 H new ATOM 0 HG11 VAL A 98 0.671 17.816 8.707 1.00 0.23 H new ATOM 0 HG12 VAL A 98 1.343 17.451 10.314 1.00 0.23 H new ATOM 0 HG13 VAL A 98 2.379 17.341 8.871 1.00 0.23 H new ATOM 0 HG21 VAL A 98 0.190 16.082 7.113 1.00 4.22 H new ATOM 0 HG22 VAL A 98 1.913 15.635 7.145 1.00 4.22 H new ATOM 0 HG23 VAL A 98 0.666 14.394 7.418 1.00 4.22 H new ATOM 1553 N PRO A 99 0.738 13.049 10.955 1.00 24.24 N ATOM 1554 CA PRO A 99 0.202 11.704 11.041 1.00 71.22 C ATOM 1555 C PRO A 99 -0.678 11.363 9.839 1.00 24.33 C ATOM 1556 O PRO A 99 -0.777 10.189 9.490 1.00 43.34 O ATOM 1557 CB PRO A 99 -0.535 11.602 12.377 1.00 41.15 C ATOM 1558 CG PRO A 99 -0.801 13.051 12.772 1.00 1.40 C ATOM 1559 CD PRO A 99 0.322 13.841 12.103 1.00 33.35 C ATOM 0 HA PRO A 99 1.001 10.964 11.009 1.00 71.22 H new ATOM 0 HB2 PRO A 99 -1.464 11.040 12.277 1.00 41.15 H new ATOM 0 HB3 PRO A 99 0.069 11.090 13.126 1.00 41.15 H new ATOM 0 HG2 PRO A 99 -1.780 13.383 12.427 1.00 1.40 H new ATOM 0 HG3 PRO A 99 -0.785 13.177 13.855 1.00 1.40 H new ATOM 0 HD2 PRO A 99 -0.025 14.826 11.792 1.00 33.35 H new ATOM 0 HD3 PRO A 99 1.153 13.998 12.791 1.00 33.35 H new ATOM 1567 N ARG A 100 -1.263 12.356 9.149 1.00 70.34 N ATOM 1568 CA ARG A 100 -2.056 12.069 7.949 1.00 20.34 C ATOM 1569 C ARG A 100 -1.189 11.424 6.861 1.00 12.20 C ATOM 1570 O ARG A 100 -1.647 10.498 6.195 1.00 54.13 O ATOM 1571 CB ARG A 100 -2.788 13.347 7.462 1.00 44.15 C ATOM 1572 CG ARG A 100 -4.306 13.123 7.305 1.00 52.25 C ATOM 1573 CD ARG A 100 -5.141 14.418 7.259 1.00 0.11 C ATOM 1574 NE ARG A 100 -5.321 15.005 8.604 1.00 31.33 N ATOM 1575 CZ ARG A 100 -6.260 15.884 8.992 1.00 63.41 C ATOM 1576 NH1 ARG A 100 -7.124 16.403 8.128 1.00 44.35 N ATOM 1577 NH2 ARG A 100 -6.338 16.267 10.264 1.00 64.44 N ATOM 0 H ARG A 100 -1.203 13.344 9.397 1.00 70.34 H new ATOM 0 HA ARG A 100 -2.827 11.340 8.199 1.00 20.34 H new ATOM 0 HB2 ARG A 100 -2.613 14.157 8.171 1.00 44.15 H new ATOM 0 HB3 ARG A 100 -2.368 13.663 6.507 1.00 44.15 H new ATOM 0 HG2 ARG A 100 -4.485 12.558 6.390 1.00 52.25 H new ATOM 0 HG3 ARG A 100 -4.658 12.508 8.133 1.00 52.25 H new ATOM 0 HD2 ARG A 100 -4.651 15.143 6.609 1.00 0.11 H new ATOM 0 HD3 ARG A 100 -6.117 14.206 6.822 1.00 0.11 H new ATOM 0 HE ARG A 100 -4.656 14.709 9.319 1.00 31.33 H new ATOM 0 HH11 ARG A 100 -7.084 16.136 7.144 1.00 44.35 H new ATOM 0 HH12 ARG A 100 -7.828 17.069 8.448 1.00 44.35 H new ATOM 0 HH21 ARG A 100 -5.683 15.893 10.950 1.00 64.44 H new ATOM 0 HH22 ARG A 100 -7.053 16.935 10.553 1.00 64.44 H new ATOM 1591 N LYS A 101 0.062 11.872 6.708 1.00 14.13 N ATOM 1592 CA LYS A 101 0.872 11.615 5.519 1.00 14.41 C ATOM 1593 C LYS A 101 1.949 10.571 5.743 1.00 61.13 C ATOM 1594 O LYS A 101 2.165 9.719 4.892 1.00 64.20 O ATOM 1595 CB LYS A 101 1.395 12.955 4.983 1.00 25.34 C ATOM 1596 CG LYS A 101 2.670 13.529 5.607 1.00 71.33 C ATOM 1597 CD LYS A 101 3.957 13.184 4.857 1.00 54.45 C ATOM 1598 CE LYS A 101 4.350 14.320 3.901 1.00 3.44 C ATOM 1599 NZ LYS A 101 3.511 14.407 2.692 1.00 72.44 N ATOM 0 H LYS A 101 0.543 12.428 7.415 1.00 14.13 H new ATOM 0 HA LYS A 101 0.247 11.162 4.749 1.00 14.41 H new ATOM 0 HB2 LYS A 101 1.568 12.842 3.913 1.00 25.34 H new ATOM 0 HB3 LYS A 101 0.603 13.694 5.101 1.00 25.34 H new ATOM 0 HG2 LYS A 101 2.576 14.614 5.661 1.00 71.33 H new ATOM 0 HG3 LYS A 101 2.753 13.165 6.631 1.00 71.33 H new ATOM 0 HD2 LYS A 101 4.763 13.007 5.570 1.00 54.45 H new ATOM 0 HD3 LYS A 101 3.820 12.260 4.295 1.00 54.45 H new ATOM 0 HE2 LYS A 101 4.295 15.267 4.437 1.00 3.44 H new ATOM 0 HE3 LYS A 101 5.389 14.184 3.600 1.00 3.44 H new ATOM 0 HZ1 LYS A 101 3.838 15.196 2.099 1.00 72.44 H new ATOM 0 HZ2 LYS A 101 3.581 13.518 2.156 1.00 72.44 H new ATOM 0 HZ3 LYS A 101 2.521 14.568 2.967 1.00 72.44 H new ATOM 1613 N THR A 102 2.565 10.565 6.918 1.00 74.41 N ATOM 1614 CA THR A 102 3.478 9.504 7.351 1.00 21.13 C ATOM 1615 C THR A 102 2.860 8.119 7.124 1.00 70.51 C ATOM 1616 O THR A 102 3.489 7.231 6.545 1.00 11.34 O ATOM 1617 CB THR A 102 3.840 9.701 8.831 1.00 31.13 C ATOM 1618 OG1 THR A 102 2.686 10.031 9.580 1.00 53.33 O ATOM 1619 CG2 THR A 102 4.861 10.820 9.021 1.00 33.31 C ATOM 0 H THR A 102 2.446 11.305 7.610 1.00 74.41 H new ATOM 0 HA THR A 102 4.387 9.562 6.753 1.00 21.13 H new ATOM 0 HB THR A 102 4.269 8.761 9.178 1.00 31.13 H new ATOM 0 HG1 THR A 102 2.449 10.968 9.420 1.00 53.33 H new ATOM 0 HG21 THR A 102 5.090 10.927 10.081 1.00 33.31 H new ATOM 0 HG22 THR A 102 5.773 10.577 8.475 1.00 33.31 H new ATOM 0 HG23 THR A 102 4.450 11.756 8.642 1.00 33.31 H new ATOM 1627 N ARG A 103 1.594 7.940 7.519 1.00 32.52 N ATOM 1628 CA ARG A 103 0.890 6.669 7.368 1.00 23.23 C ATOM 1629 C ARG A 103 0.725 6.244 5.905 1.00 42.22 C ATOM 1630 O ARG A 103 0.582 5.046 5.656 1.00 32.33 O ATOM 1631 CB ARG A 103 -0.468 6.727 8.090 1.00 22.11 C ATOM 1632 CG ARG A 103 -0.382 6.338 9.579 1.00 63.12 C ATOM 1633 CD ARG A 103 0.249 7.388 10.506 1.00 33.45 C ATOM 1634 NE ARG A 103 1.360 6.853 11.328 1.00 44.42 N ATOM 1635 CZ ARG A 103 2.144 7.568 12.155 1.00 72.33 C ATOM 1636 NH1 ARG A 103 1.973 8.878 12.282 1.00 64.10 N ATOM 1637 NH2 ARG A 103 3.109 6.987 12.857 1.00 33.24 N ATOM 0 H ARG A 103 1.033 8.674 7.951 1.00 32.52 H new ATOM 0 HA ARG A 103 1.509 5.902 7.833 1.00 23.23 H new ATOM 0 HB2 ARG A 103 -0.873 7.736 8.008 1.00 22.11 H new ATOM 0 HB3 ARG A 103 -1.168 6.060 7.587 1.00 22.11 H new ATOM 0 HG2 ARG A 103 -1.388 6.121 9.938 1.00 63.12 H new ATOM 0 HG3 ARG A 103 0.192 5.415 9.662 1.00 63.12 H new ATOM 0 HD2 ARG A 103 0.619 8.218 9.904 1.00 33.45 H new ATOM 0 HD3 ARG A 103 -0.521 7.790 11.165 1.00 33.45 H new ATOM 0 HE ARG A 103 1.547 5.853 11.261 1.00 44.42 H new ATOM 0 HH11 ARG A 103 1.242 9.351 11.750 1.00 64.10 H new ATOM 0 HH12 ARG A 103 2.572 9.412 12.911 1.00 64.10 H new ATOM 0 HH21 ARG A 103 3.266 5.983 12.774 1.00 33.24 H new ATOM 0 HH22 ARG A 103 3.694 7.545 13.479 1.00 33.24 H new ATOM 1651 N ARG A 104 0.785 7.166 4.933 1.00 73.40 N ATOM 1652 CA ARG A 104 0.874 6.774 3.531 1.00 62.32 C ATOM 1653 C ARG A 104 2.213 6.091 3.290 1.00 42.45 C ATOM 1654 O ARG A 104 2.206 4.954 2.846 1.00 54.31 O ATOM 1655 CB ARG A 104 0.672 7.939 2.556 1.00 44.42 C ATOM 1656 CG ARG A 104 -0.787 8.281 2.209 1.00 61.13 C ATOM 1657 CD ARG A 104 -1.594 8.975 3.313 1.00 22.13 C ATOM 1658 NE ARG A 104 -2.518 9.955 2.716 1.00 54.44 N ATOM 1659 CZ ARG A 104 -3.527 10.611 3.294 1.00 12.41 C ATOM 1660 NH1 ARG A 104 -3.919 10.353 4.535 1.00 41.32 N ATOM 1661 NH2 ARG A 104 -4.146 11.556 2.608 1.00 12.14 N ATOM 0 H ARG A 104 0.773 8.173 5.095 1.00 73.40 H new ATOM 0 HA ARG A 104 0.055 6.082 3.332 1.00 62.32 H new ATOM 0 HB2 ARG A 104 1.142 8.827 2.979 1.00 44.42 H new ATOM 0 HB3 ARG A 104 1.201 7.709 1.631 1.00 44.42 H new ATOM 0 HG2 ARG A 104 -0.790 8.921 1.327 1.00 61.13 H new ATOM 0 HG3 ARG A 104 -1.301 7.359 1.935 1.00 61.13 H new ATOM 0 HD2 ARG A 104 -2.154 8.236 3.886 1.00 22.13 H new ATOM 0 HD3 ARG A 104 -0.920 9.474 4.009 1.00 22.13 H new ATOM 0 HE ARG A 104 -2.366 10.160 1.728 1.00 54.44 H new ATOM 0 HH11 ARG A 104 -3.445 9.633 5.080 1.00 41.32 H new ATOM 0 HH12 ARG A 104 -4.694 10.875 4.944 1.00 41.32 H new ATOM 0 HH21 ARG A 104 -3.850 11.772 1.656 1.00 12.14 H new ATOM 0 HH22 ARG A 104 -4.919 12.069 3.031 1.00 12.14 H new ATOM 1675 N ALA A 105 3.349 6.715 3.619 1.00 10.53 N ATOM 1676 CA ALA A 105 4.672 6.155 3.306 1.00 30.53 C ATOM 1677 C ALA A 105 4.837 4.671 3.711 1.00 42.23 C ATOM 1678 O ALA A 105 5.520 3.931 3.002 1.00 2.12 O ATOM 1679 CB ALA A 105 5.781 7.023 3.917 1.00 41.24 C ATOM 0 H ALA A 105 3.381 7.612 4.104 1.00 10.53 H new ATOM 0 HA ALA A 105 4.760 6.171 2.220 1.00 30.53 H new ATOM 0 HB1 ALA A 105 6.753 6.594 3.676 1.00 41.24 H new ATOM 0 HB2 ALA A 105 5.719 8.032 3.510 1.00 41.24 H new ATOM 0 HB3 ALA A 105 5.659 7.060 5.000 1.00 41.24 H new ATOM 1685 N THR A 106 4.187 4.214 4.792 1.00 61.13 N ATOM 1686 CA THR A 106 4.098 2.794 5.146 1.00 40.42 C ATOM 1687 C THR A 106 3.518 1.938 4.000 1.00 31.11 C ATOM 1688 O THR A 106 4.138 0.951 3.603 1.00 64.30 O ATOM 1689 CB THR A 106 3.282 2.639 6.446 1.00 10.32 C ATOM 1690 OG1 THR A 106 4.032 3.022 7.587 1.00 30.24 O ATOM 1691 CG2 THR A 106 2.842 1.195 6.694 1.00 23.51 C ATOM 0 H THR A 106 3.705 4.827 5.449 1.00 61.13 H new ATOM 0 HA THR A 106 5.107 2.419 5.315 1.00 40.42 H new ATOM 0 HB THR A 106 2.415 3.285 6.306 1.00 10.32 H new ATOM 0 HG1 THR A 106 3.483 2.912 8.391 1.00 30.24 H new ATOM 0 HG21 THR A 106 2.272 1.143 7.621 1.00 23.51 H new ATOM 0 HG22 THR A 106 2.220 0.857 5.866 1.00 23.51 H new ATOM 0 HG23 THR A 106 3.721 0.555 6.772 1.00 23.51 H new ATOM 1699 N MET A 107 2.313 2.247 3.504 1.00 0.35 N ATOM 1700 CA MET A 107 1.709 1.473 2.421 1.00 52.44 C ATOM 1701 C MET A 107 2.515 1.651 1.132 1.00 31.35 C ATOM 1702 O MET A 107 2.643 0.697 0.369 1.00 3.03 O ATOM 1703 CB MET A 107 0.217 1.804 2.201 1.00 42.13 C ATOM 1704 CG MET A 107 -0.100 3.302 2.169 1.00 64.43 C ATOM 1705 SD MET A 107 -1.660 3.862 1.442 1.00 41.30 S ATOM 1706 CE MET A 107 -2.888 3.008 2.444 1.00 21.34 C ATOM 0 H MET A 107 1.742 3.024 3.836 1.00 0.35 H new ATOM 0 HA MET A 107 1.741 0.425 2.718 1.00 52.44 H new ATOM 0 HB2 MET A 107 -0.107 1.356 1.262 1.00 42.13 H new ATOM 0 HB3 MET A 107 -0.367 1.338 2.995 1.00 42.13 H new ATOM 0 HG2 MET A 107 -0.068 3.666 3.196 1.00 64.43 H new ATOM 0 HG3 MET A 107 0.708 3.796 1.631 1.00 64.43 H new ATOM 0 HE1 MET A 107 -3.634 3.722 2.793 1.00 21.34 H new ATOM 0 HE2 MET A 107 -3.375 2.238 1.845 1.00 21.34 H new ATOM 0 HE3 MET A 107 -2.400 2.545 3.302 1.00 21.34 H new ATOM 1716 N THR A 108 3.096 2.828 0.886 1.00 52.13 N ATOM 1717 CA THR A 108 3.845 3.068 -0.341 1.00 72.31 C ATOM 1718 C THR A 108 5.076 2.164 -0.400 1.00 24.11 C ATOM 1719 O THR A 108 5.335 1.549 -1.430 1.00 0.13 O ATOM 1720 CB THR A 108 4.158 4.566 -0.507 1.00 42.44 C ATOM 1721 OG1 THR A 108 3.193 5.384 0.131 1.00 51.25 O ATOM 1722 CG2 THR A 108 4.179 4.935 -1.991 1.00 32.43 C ATOM 0 H THR A 108 3.060 3.625 1.521 1.00 52.13 H new ATOM 0 HA THR A 108 3.233 2.799 -1.202 1.00 72.31 H new ATOM 0 HB THR A 108 5.131 4.739 -0.046 1.00 42.44 H new ATOM 0 HG1 THR A 108 3.428 6.327 0.004 1.00 51.25 H new ATOM 0 HG21 THR A 108 4.401 5.997 -2.099 1.00 32.43 H new ATOM 0 HG22 THR A 108 4.945 4.350 -2.500 1.00 32.43 H new ATOM 0 HG23 THR A 108 3.206 4.721 -2.433 1.00 32.43 H new ATOM 1730 N ASN A 109 5.774 1.989 0.727 1.00 64.25 N ATOM 1731 CA ASN A 109 6.877 1.039 0.883 1.00 63.14 C ATOM 1732 C ASN A 109 6.470 -0.376 0.431 1.00 12.40 C ATOM 1733 O ASN A 109 7.164 -1.009 -0.362 1.00 21.24 O ATOM 1734 CB ASN A 109 7.358 1.123 2.352 1.00 71.52 C ATOM 1735 CG ASN A 109 8.068 -0.093 2.938 1.00 65.41 C ATOM 1736 OD1 ASN A 109 7.855 -0.394 4.115 1.00 0.03 O ATOM 1737 ND2 ASN A 109 8.939 -0.783 2.225 1.00 2.13 N ATOM 0 H ASN A 109 5.581 2.519 1.577 1.00 64.25 H new ATOM 0 HA ASN A 109 7.714 1.294 0.233 1.00 63.14 H new ATOM 0 HB2 ASN A 109 8.031 1.976 2.436 1.00 71.52 H new ATOM 0 HB3 ASN A 109 6.491 1.338 2.977 1.00 71.52 H new ATOM 0 HD21 ASN A 109 9.437 -1.567 2.647 1.00 2.13 H new ATOM 0 HD22 ASN A 109 9.114 -0.533 1.252 1.00 2.13 H new ATOM 1744 N TRP A 110 5.315 -0.859 0.888 1.00 23.21 N ATOM 1745 CA TRP A 110 4.757 -2.144 0.464 1.00 74.23 C ATOM 1746 C TRP A 110 4.425 -2.205 -1.037 1.00 73.15 C ATOM 1747 O TRP A 110 4.580 -3.274 -1.636 1.00 32.10 O ATOM 1748 CB TRP A 110 3.515 -2.464 1.310 1.00 1.41 C ATOM 1749 CG TRP A 110 2.731 -3.661 0.873 1.00 23.23 C ATOM 1750 CD1 TRP A 110 2.885 -4.938 1.290 1.00 71.34 C ATOM 1751 CD2 TRP A 110 1.613 -3.682 -0.058 1.00 43.01 C ATOM 1752 NE1 TRP A 110 2.034 -5.758 0.567 1.00 25.42 N ATOM 1753 CE2 TRP A 110 1.200 -5.030 -0.254 1.00 0.15 C ATOM 1754 CE3 TRP A 110 0.883 -2.676 -0.718 1.00 41.50 C ATOM 1755 CZ2 TRP A 110 0.155 -5.367 -1.128 1.00 11.21 C ATOM 1756 CZ3 TRP A 110 -0.177 -2.997 -1.581 1.00 70.41 C ATOM 1757 CH2 TRP A 110 -0.517 -4.342 -1.809 1.00 15.32 C ATOM 0 H TRP A 110 4.736 -0.366 1.568 1.00 23.21 H new ATOM 0 HA TRP A 110 5.527 -2.898 0.626 1.00 74.23 H new ATOM 0 HB2 TRP A 110 3.829 -2.614 2.343 1.00 1.41 H new ATOM 0 HB3 TRP A 110 2.856 -1.596 1.300 1.00 1.41 H new ATOM 0 HD1 TRP A 110 3.563 -5.266 2.064 1.00 71.34 H new ATOM 0 HE1 TRP A 110 2.026 -6.776 0.634 1.00 25.42 H new ATOM 0 HE3 TRP A 110 1.142 -1.640 -0.558 1.00 41.50 H new ATOM 0 HZ2 TRP A 110 -0.127 -6.399 -1.274 1.00 11.21 H new ATOM 0 HZ3 TRP A 110 -0.732 -2.210 -2.070 1.00 70.41 H new ATOM 0 HH2 TRP A 110 -1.299 -4.587 -2.512 1.00 15.32 H new ATOM 1768 N LEU A 111 3.965 -1.105 -1.652 1.00 25.05 N ATOM 1769 CA LEU A 111 3.518 -1.111 -3.049 1.00 72.13 C ATOM 1770 C LEU A 111 4.704 -1.425 -3.966 1.00 32.10 C ATOM 1771 O LEU A 111 4.563 -2.188 -4.924 1.00 32.11 O ATOM 1772 CB LEU A 111 2.850 0.230 -3.434 1.00 4.14 C ATOM 1773 CG LEU A 111 1.340 0.314 -3.112 1.00 70.33 C ATOM 1774 CD1 LEU A 111 0.928 1.675 -2.545 1.00 64.03 C ATOM 1775 CD2 LEU A 111 0.485 0.078 -4.358 1.00 50.21 C ATOM 0 H LEU A 111 3.893 -0.195 -1.198 1.00 25.05 H new ATOM 0 HA LEU A 111 2.763 -1.888 -3.171 1.00 72.13 H new ATOM 0 HB2 LEU A 111 3.364 1.039 -2.915 1.00 4.14 H new ATOM 0 HB3 LEU A 111 2.990 0.397 -4.502 1.00 4.14 H new ATOM 0 HG LEU A 111 1.170 -0.463 -2.367 1.00 70.33 H new ATOM 0 HD11 LEU A 111 -0.142 1.674 -2.338 1.00 64.03 H new ATOM 0 HD12 LEU A 111 1.476 1.865 -1.622 1.00 64.03 H new ATOM 0 HD13 LEU A 111 1.157 2.456 -3.270 1.00 64.03 H new ATOM 0 HD21 LEU A 111 -0.570 0.145 -4.093 1.00 50.21 H new ATOM 0 HD22 LEU A 111 0.719 0.833 -5.108 1.00 50.21 H new ATOM 0 HD23 LEU A 111 0.696 -0.912 -4.762 1.00 50.21 H new ATOM 1787 N LEU A 112 5.886 -0.886 -3.649 1.00 40.54 N ATOM 1788 CA LEU A 112 7.106 -1.154 -4.409 1.00 55.11 C ATOM 1789 C LEU A 112 7.497 -2.623 -4.295 1.00 11.12 C ATOM 1790 O LEU A 112 7.739 -3.260 -5.313 1.00 20.54 O ATOM 1791 CB LEU A 112 8.267 -0.273 -3.939 1.00 13.22 C ATOM 1792 CG LEU A 112 8.002 1.225 -4.185 1.00 22.13 C ATOM 1793 CD1 LEU A 112 8.179 1.985 -2.873 1.00 44.33 C ATOM 1794 CD2 LEU A 112 8.903 1.818 -5.273 1.00 72.21 C ATOM 0 H LEU A 112 6.021 -0.254 -2.860 1.00 40.54 H new ATOM 0 HA LEU A 112 6.897 -0.917 -5.452 1.00 55.11 H new ATOM 0 HB2 LEU A 112 8.439 -0.439 -2.876 1.00 13.22 H new ATOM 0 HB3 LEU A 112 9.178 -0.569 -4.459 1.00 13.22 H new ATOM 0 HG LEU A 112 6.979 1.327 -4.546 1.00 22.13 H new ATOM 0 HD11 LEU A 112 7.993 3.046 -3.039 1.00 44.33 H new ATOM 0 HD12 LEU A 112 7.474 1.604 -2.134 1.00 44.33 H new ATOM 0 HD13 LEU A 112 9.197 1.848 -2.508 1.00 44.33 H new ATOM 0 HD21 LEU A 112 8.670 2.875 -5.402 1.00 72.21 H new ATOM 0 HD22 LEU A 112 9.947 1.709 -4.980 1.00 72.21 H new ATOM 0 HD23 LEU A 112 8.733 1.292 -6.213 1.00 72.21 H new ATOM 1806 N ALA A 113 7.563 -3.171 -3.076 1.00 33.43 N ATOM 1807 CA ALA A 113 7.952 -4.568 -2.889 1.00 41.43 C ATOM 1808 C ALA A 113 7.016 -5.502 -3.668 1.00 20.54 C ATOM 1809 O ALA A 113 7.504 -6.457 -4.265 1.00 31.25 O ATOM 1810 CB ALA A 113 8.025 -4.903 -1.396 1.00 12.35 C ATOM 0 H ALA A 113 7.353 -2.671 -2.212 1.00 33.43 H new ATOM 0 HA ALA A 113 8.951 -4.723 -3.298 1.00 41.43 H new ATOM 0 HB1 ALA A 113 8.316 -5.946 -1.271 1.00 12.35 H new ATOM 0 HB2 ALA A 113 8.762 -4.261 -0.915 1.00 12.35 H new ATOM 0 HB3 ALA A 113 7.049 -4.741 -0.939 1.00 12.35 H new ATOM 1816 N TYR A 114 5.711 -5.206 -3.731 1.00 1.15 N ATOM 1817 CA TYR A 114 4.765 -5.955 -4.553 1.00 55.53 C ATOM 1818 C TYR A 114 5.167 -5.887 -6.025 1.00 14.24 C ATOM 1819 O TYR A 114 5.410 -6.928 -6.633 1.00 64.41 O ATOM 1820 CB TYR A 114 3.336 -5.435 -4.339 1.00 1.20 C ATOM 1821 CG TYR A 114 2.285 -5.933 -5.327 1.00 41.50 C ATOM 1822 CD1 TYR A 114 1.808 -7.254 -5.252 1.00 44.20 C ATOM 1823 CD2 TYR A 114 1.725 -5.053 -6.277 1.00 31.12 C ATOM 1824 CE1 TYR A 114 0.753 -7.682 -6.080 1.00 12.31 C ATOM 1825 CE2 TYR A 114 0.632 -5.455 -7.066 1.00 54.31 C ATOM 1826 CZ TYR A 114 0.140 -6.774 -6.977 1.00 50.40 C ATOM 1827 OH TYR A 114 -0.958 -7.116 -7.706 1.00 73.44 O ATOM 0 H TYR A 114 5.286 -4.438 -3.211 1.00 1.15 H new ATOM 0 HA TYR A 114 4.788 -7.001 -4.248 1.00 55.53 H new ATOM 0 HB2 TYR A 114 3.018 -5.709 -3.333 1.00 1.20 H new ATOM 0 HB3 TYR A 114 3.357 -4.346 -4.381 1.00 1.20 H new ATOM 0 HD1 TYR A 114 2.255 -7.946 -4.553 1.00 44.20 H new ATOM 0 HD2 TYR A 114 2.139 -4.063 -6.399 1.00 31.12 H new ATOM 0 HE1 TYR A 114 0.410 -8.705 -6.031 1.00 12.31 H new ATOM 0 HE2 TYR A 114 0.168 -4.752 -7.742 1.00 54.31 H new ATOM 0 HH TYR A 114 -1.355 -7.933 -7.337 1.00 73.44 H new ATOM 1837 N ARG A 115 5.221 -4.687 -6.623 1.00 74.11 N ATOM 1838 CA ARG A 115 5.423 -4.598 -8.068 1.00 42.30 C ATOM 1839 C ARG A 115 6.755 -5.192 -8.502 1.00 72.21 C ATOM 1840 O ARG A 115 6.814 -5.801 -9.571 1.00 14.54 O ATOM 1841 CB ARG A 115 5.225 -3.172 -8.606 1.00 24.15 C ATOM 1842 CG ARG A 115 6.105 -2.072 -7.996 1.00 62.53 C ATOM 1843 CD ARG A 115 6.741 -1.171 -9.056 1.00 22.12 C ATOM 1844 NE ARG A 115 8.165 -1.521 -9.252 1.00 11.24 N ATOM 1845 CZ ARG A 115 8.750 -2.365 -10.110 1.00 4.53 C ATOM 1846 NH1 ARG A 115 8.039 -2.998 -11.033 1.00 53.44 N ATOM 1847 NH2 ARG A 115 10.058 -2.587 -10.043 1.00 42.33 N ATOM 0 H ARG A 115 5.130 -3.792 -6.142 1.00 74.11 H new ATOM 0 HA ARG A 115 4.643 -5.209 -8.521 1.00 42.30 H new ATOM 0 HB2 ARG A 115 5.399 -3.188 -9.682 1.00 24.15 H new ATOM 0 HB3 ARG A 115 4.182 -2.894 -8.456 1.00 24.15 H new ATOM 0 HG2 ARG A 115 5.503 -1.463 -7.321 1.00 62.53 H new ATOM 0 HG3 ARG A 115 6.891 -2.531 -7.396 1.00 62.53 H new ATOM 0 HD2 ARG A 115 6.203 -1.274 -9.998 1.00 22.12 H new ATOM 0 HD3 ARG A 115 6.656 -0.128 -8.752 1.00 22.12 H new ATOM 0 HE ARG A 115 8.810 -1.037 -8.627 1.00 11.24 H new ATOM 0 HH11 ARG A 115 7.033 -2.844 -11.096 1.00 53.44 H new ATOM 0 HH12 ARG A 115 8.498 -3.638 -11.680 1.00 53.44 H new ATOM 0 HH21 ARG A 115 10.620 -2.113 -9.336 1.00 42.33 H new ATOM 0 HH22 ARG A 115 10.500 -3.231 -10.699 1.00 42.33 H new ATOM 1861 N ARG A 116 7.806 -5.063 -7.691 1.00 43.22 N ATOM 1862 CA ARG A 116 9.112 -5.588 -7.920 1.00 50.05 C ATOM 1863 C ARG A 116 9.072 -7.115 -7.856 1.00 71.24 C ATOM 1864 O ARG A 116 9.571 -7.798 -8.752 1.00 52.42 O ATOM 1865 CB ARG A 116 9.930 -4.905 -6.822 1.00 11.22 C ATOM 1866 CG ARG A 116 11.276 -5.528 -6.616 1.00 72.22 C ATOM 1867 CD ARG A 116 12.178 -5.450 -7.849 1.00 34.13 C ATOM 1868 NE ARG A 116 13.332 -6.339 -7.696 1.00 41.03 N ATOM 1869 CZ ARG A 116 14.015 -6.903 -8.704 1.00 41.52 C ATOM 1870 NH1 ARG A 116 13.743 -6.593 -9.969 1.00 2.21 N ATOM 1871 NH2 ARG A 116 14.961 -7.798 -8.439 1.00 41.21 N ATOM 0 H ARG A 116 7.742 -4.555 -6.809 1.00 43.22 H new ATOM 0 HA ARG A 116 9.546 -5.392 -8.900 1.00 50.05 H new ATOM 0 HB2 ARG A 116 10.059 -3.853 -7.075 1.00 11.22 H new ATOM 0 HB3 ARG A 116 9.372 -4.942 -5.886 1.00 11.22 H new ATOM 0 HG2 ARG A 116 11.772 -5.034 -5.780 1.00 72.22 H new ATOM 0 HG3 ARG A 116 11.145 -6.573 -6.337 1.00 72.22 H new ATOM 0 HD2 ARG A 116 11.613 -5.728 -8.739 1.00 34.13 H new ATOM 0 HD3 ARG A 116 12.518 -4.425 -7.994 1.00 34.13 H new ATOM 0 HE ARG A 116 13.641 -6.546 -6.746 1.00 41.03 H new ATOM 0 HH11 ARG A 116 13.008 -5.919 -10.182 1.00 2.21 H new ATOM 0 HH12 ARG A 116 14.270 -7.029 -10.726 1.00 2.21 H new ATOM 0 HH21 ARG A 116 15.165 -8.053 -7.473 1.00 41.21 H new ATOM 0 HH22 ARG A 116 15.483 -8.230 -9.202 1.00 41.21 H new ATOM 1885 N SER A 117 8.470 -7.679 -6.810 1.00 43.14 N ATOM 1886 CA SER A 117 8.314 -9.124 -6.683 1.00 23.42 C ATOM 1887 C SER A 117 7.578 -9.773 -7.867 1.00 51.42 C ATOM 1888 O SER A 117 7.767 -10.966 -8.101 1.00 73.41 O ATOM 1889 CB SER A 117 7.573 -9.436 -5.382 1.00 43.22 C ATOM 1890 OG SER A 117 8.463 -9.415 -4.277 1.00 33.22 O ATOM 0 H SER A 117 8.079 -7.149 -6.031 1.00 43.14 H new ATOM 0 HA SER A 117 9.317 -9.551 -6.676 1.00 23.42 H new ATOM 0 HB2 SER A 117 6.777 -8.707 -5.228 1.00 43.22 H new ATOM 0 HB3 SER A 117 7.099 -10.415 -5.454 1.00 43.22 H new ATOM 0 HG SER A 117 8.496 -8.511 -3.901 1.00 33.22 H new ATOM 1896 N GLN A 118 6.784 -9.035 -8.652 1.00 3.04 N ATOM 1897 CA GLN A 118 6.051 -9.663 -9.741 1.00 50.32 C ATOM 1898 C GLN A 118 6.958 -10.101 -10.891 1.00 43.31 C ATOM 1899 O GLN A 118 6.527 -10.938 -11.682 1.00 73.11 O ATOM 1900 CB GLN A 118 4.965 -8.726 -10.260 1.00 20.14 C ATOM 1901 CG GLN A 118 3.781 -8.587 -9.308 1.00 10.25 C ATOM 1902 CD GLN A 118 2.724 -7.676 -9.910 1.00 61.41 C ATOM 1903 OE1 GLN A 118 3.026 -6.663 -10.537 1.00 52.50 O ATOM 1904 NE2 GLN A 118 1.455 -7.991 -9.744 1.00 72.01 N ATOM 0 H GLN A 118 6.639 -8.030 -8.553 1.00 3.04 H new ATOM 0 HA GLN A 118 5.594 -10.564 -9.332 1.00 50.32 H new ATOM 0 HB2 GLN A 118 5.398 -7.741 -10.436 1.00 20.14 H new ATOM 0 HB3 GLN A 118 4.607 -9.093 -11.222 1.00 20.14 H new ATOM 0 HG2 GLN A 118 3.352 -9.568 -9.105 1.00 10.25 H new ATOM 0 HG3 GLN A 118 4.119 -8.183 -8.354 1.00 10.25 H new ATOM 0 HE21 GLN A 118 1.202 -8.831 -9.224 1.00 72.01 H new ATOM 0 HE22 GLN A 118 0.726 -7.395 -10.136 1.00 72.01 H new ATOM 1913 N GLN A 119 8.182 -9.566 -10.991 1.00 35.20 N ATOM 1914 CA GLN A 119 9.112 -9.857 -12.074 1.00 44.34 C ATOM 1915 C GLN A 119 10.185 -10.877 -11.702 1.00 43.32 C ATOM 1916 O GLN A 119 11.141 -11.047 -12.461 1.00 23.12 O ATOM 1917 CB GLN A 119 9.703 -8.549 -12.633 1.00 21.22 C ATOM 1918 CG GLN A 119 10.737 -7.831 -11.736 1.00 65.32 C ATOM 1919 CD GLN A 119 10.418 -6.370 -11.381 1.00 64.30 C ATOM 1920 OE1 GLN A 119 11.304 -5.562 -11.113 1.00 73.22 O ATOM 1921 NE2 GLN A 119 9.158 -5.984 -11.290 1.00 22.34 N ATOM 0 H GLN A 119 8.554 -8.908 -10.306 1.00 35.20 H new ATOM 0 HA GLN A 119 8.542 -10.341 -12.867 1.00 44.34 H new ATOM 0 HB2 GLN A 119 10.174 -8.768 -13.592 1.00 21.22 H new ATOM 0 HB3 GLN A 119 8.883 -7.859 -12.831 1.00 21.22 H new ATOM 0 HG2 GLN A 119 10.840 -8.396 -10.809 1.00 65.32 H new ATOM 0 HG3 GLN A 119 11.705 -7.860 -12.236 1.00 65.32 H new ATOM 0 HE21 GLN A 119 8.407 -6.639 -11.508 1.00 22.34 H new ATOM 0 HE22 GLN A 119 8.936 -5.031 -11.002 1.00 22.34 H new ATOM 1930 N ASP A 120 10.040 -11.516 -10.545 1.00 61.24 N ATOM 1931 CA ASP A 120 11.084 -12.298 -9.883 1.00 45.22 C ATOM 1932 C ASP A 120 11.676 -13.361 -10.789 1.00 10.00 C ATOM 1933 O ASP A 120 12.896 -13.305 -11.036 1.00 11.41 O ATOM 1934 CB ASP A 120 10.560 -12.925 -8.588 1.00 42.51 C ATOM 1935 CG ASP A 120 11.705 -13.421 -7.708 1.00 40.24 C ATOM 1936 OD1 ASP A 120 12.645 -12.634 -7.457 1.00 1.22 O ATOM 1937 OD2 ASP A 120 11.569 -14.466 -7.033 1.00 3.12 O ATOM 0 H ASP A 120 9.164 -11.504 -10.023 1.00 61.24 H new ATOM 0 HA ASP A 120 11.887 -11.603 -9.637 1.00 45.22 H new ATOM 0 HB2 ASP A 120 9.969 -12.192 -8.040 1.00 42.51 H new ATOM 0 HB3 ASP A 120 9.896 -13.756 -8.827 1.00 42.51 H new TER 1942 ASP A 120