USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 831 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 90 GLN : amide:sc= -14.1! C(o=-13!,f=-30!) USER MOD Set 1.2: A 91 SER OG : rot 124:sc= 1.21 USER MOD Set 2.1: A 6 ASN :FLIP amide:sc= 0.0767 F(o=-2.2,f=0.35) USER MOD Set 2.2: A 59 TYR OH : rot 158:sc= 0.273 USER MOD Set 3.1: A 51 ASN : amide:sc= -14.7! C(o=-22!,f=-30!) USER MOD Set 3.2: A 52 HIS :FLIP no HD1:sc= -6.78! C(o=-30!,f=-22!) USER MOD Single : A 7 SER OG : rot 179:sc= -0.716 USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -0.0839 (180deg=-0.705) USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -148:sc= -0.835 (180deg=-1.92) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.0994 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 160:sc= -1.42 USER MOD Single : A 29 GLN : amide:sc= -2.98 K(o=-3,f=-7.1!) USER MOD Single : A 33 SER OG : rot 95:sc= 0.861 USER MOD Single : A 34 GLN :FLIP amide:sc= -4.49! C(o=-9.9!,f=-4.5!) USER MOD Single : A 38 LYS NZ :NH3+ 147:sc= -2.38! (180deg=-4.8!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 48 THR OG1 : rot 160:sc= -0.2 USER MOD Single : A 50 THR OG1 : rot -44:sc= 0.264 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 54 ASN : amide:sc= -0.558 K(o=-0.56,f=-2.2) USER MOD Single : A 57 GLN : amide:sc= -0.966 K(o=-0.97,f=-1.7) USER MOD Single : A 61 GLN : amide:sc= -6.74! C(o=-6.7!,f=-15!) USER MOD Single : A 62 GLN : amide:sc= -0.176 K(o=-0.18,f=-2.6!) USER MOD Single : A 64 THR OG1 : rot -87:sc= 0.968! USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.694 USER MOD Single : A 76 LYS NZ :NH3+ 142:sc= -4.19! (180deg=-6.94!) USER MOD Single : A 78 SER OG : rot 46:sc= 0.894 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0401 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 88:sc= 0.409 USER MOD Single : A 89 GLN : amide:sc= -2.75! C(o=-2.7!,f=-2.6!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 127:sc= -0.153 (180deg=-1.17!) USER MOD Single : A 100 GLN : amide:sc= -0.205 K(o=-0.2,f=-0.8) USER MOD Single : A 105 GLN : amide:sc= -0.272 K(o=-0.27,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 17.111 43.138 -0.047 1.00 0.00 N ATOM 31 CA GLU A 3 18.165 42.521 -0.897 1.00 0.00 C ATOM 32 C GLU A 3 19.268 41.952 0.005 1.00 0.00 C ATOM 33 O GLU A 3 20.147 41.241 -0.437 1.00 0.00 O ATOM 34 CB GLU A 3 18.745 43.597 -1.822 1.00 0.00 C ATOM 35 CG GLU A 3 20.099 43.141 -2.370 1.00 0.00 C ATOM 36 CD GLU A 3 20.406 43.886 -3.672 1.00 0.00 C ATOM 37 OE1 GLU A 3 20.690 45.071 -3.601 1.00 0.00 O ATOM 38 OE2 GLU A 3 20.350 43.260 -4.717 1.00 0.00 O ATOM 0 HA GLU A 3 17.744 41.715 -1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 3 18.057 43.790 -2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.861 44.533 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 3 20.882 43.333 -1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.086 42.066 -2.549 1.00 0.00 H new ATOM 45 N PHE A 4 19.223 42.272 1.267 1.00 11.75 N ATOM 46 CA PHE A 4 20.258 41.773 2.216 1.00 10.29 C ATOM 47 C PHE A 4 20.243 40.242 2.277 1.00 10.97 C ATOM 48 O PHE A 4 21.173 39.588 1.854 1.00 7.53 O ATOM 49 CB PHE A 4 19.964 42.339 3.613 1.00 11.72 C ATOM 50 CG PHE A 4 20.887 43.501 3.912 1.00 16.98 C ATOM 51 CD1 PHE A 4 20.982 44.572 3.016 1.00 17.80 C ATOM 52 CD2 PHE A 4 21.644 43.506 5.092 1.00 12.51 C ATOM 53 CE1 PHE A 4 21.833 45.649 3.299 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.495 44.582 5.373 1.00 19.72 C ATOM 55 CZ PHE A 4 22.589 45.653 4.478 1.00 20.03 C ATOM 0 H PHE A 4 18.506 42.864 1.687 1.00 11.75 H new ATOM 0 HA PHE A 4 21.240 42.097 1.873 1.00 10.29 H new ATOM 0 HB2 PHE A 4 18.926 42.666 3.670 1.00 11.72 H new ATOM 0 HB3 PHE A 4 20.094 41.560 4.364 1.00 11.72 H new ATOM 0 HD1 PHE A 4 20.400 44.568 2.107 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.571 42.680 5.784 1.00 12.51 H new ATOM 0 HE1 PHE A 4 21.906 46.476 2.608 1.00 18.59 H new ATOM 0 HE2 PHE A 4 23.079 44.585 6.281 1.00 19.72 H new ATOM 0 HZ PHE A 4 23.245 46.483 4.696 1.00 20.03 H new ATOM 65 N VAL A 5 19.208 39.667 2.825 1.00 10.96 N ATOM 66 CA VAL A 5 19.155 38.180 2.938 1.00 12.03 C ATOM 67 C VAL A 5 18.903 37.552 1.565 1.00 12.91 C ATOM 68 O VAL A 5 19.452 36.518 1.238 1.00 10.57 O ATOM 69 CB VAL A 5 18.029 37.782 3.896 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.030 38.721 5.104 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.680 37.883 3.177 1.00 9.23 C ATOM 0 H VAL A 5 18.398 40.161 3.199 1.00 10.96 H new ATOM 0 HA VAL A 5 20.110 37.820 3.321 1.00 12.03 H new ATOM 0 HB VAL A 5 18.187 36.756 4.230 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.228 38.437 5.786 1.00 5.33 H new ATOM 0 HG12 VAL A 5 18.988 38.649 5.620 1.00 5.33 H new ATOM 0 HG13 VAL A 5 17.875 39.746 4.768 1.00 5.33 H new ATOM 0 HG21 VAL A 5 15.881 37.599 3.862 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.523 38.908 2.841 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.675 37.214 2.316 1.00 9.23 H new ATOM 81 N ASN A 6 18.075 38.157 0.761 1.00 13.95 N ATOM 82 CA ASN A 6 17.795 37.579 -0.578 1.00 13.93 C ATOM 83 C ASN A 6 19.112 37.379 -1.330 1.00 14.98 C ATOM 84 O ASN A 6 19.288 36.412 -2.045 1.00 13.88 O ATOM 85 CB ASN A 6 16.895 38.534 -1.360 1.00 19.23 C ATOM 86 CG ASN A 6 15.614 38.795 -0.565 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.283 37.980 0.398 1.00 28.33 O flip ATOM 88 ND2 ASN A 6 14.908 39.749 -0.823 1.00 26.59 N flip ATOM 0 H ASN A 6 17.582 39.024 0.974 1.00 13.95 H new ATOM 0 HA ASN A 6 17.294 36.617 -0.467 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.417 39.472 -1.546 1.00 19.23 H new ATOM 0 HB3 ASN A 6 16.651 38.106 -2.333 1.00 19.23 H new ATOM 0 HD21 ASN A 6 15.167 40.386 -1.576 1.00 26.59 H new ATOM 0 HD22 ASN A 6 14.056 39.913 -0.287 1.00 26.59 H new ATOM 95 N SER A 7 20.042 38.282 -1.175 1.00 0.00 N ATOM 96 CA SER A 7 21.345 38.133 -1.883 1.00 0.00 C ATOM 97 C SER A 7 22.186 37.052 -1.197 1.00 0.00 C ATOM 98 O SER A 7 23.190 36.613 -1.722 1.00 0.00 O ATOM 99 CB SER A 7 22.102 39.463 -1.847 1.00 0.00 C ATOM 100 OG SER A 7 21.555 40.339 -2.823 1.00 0.00 O ATOM 0 H SER A 7 19.956 39.114 -0.591 1.00 0.00 H new ATOM 0 HA SER A 7 21.160 37.845 -2.918 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.027 39.911 -0.856 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.161 39.297 -2.043 1.00 0.00 H new ATOM 0 HG SER A 7 22.025 41.198 -2.791 1.00 0.00 H new ATOM 106 N LYS A 8 21.797 36.633 -0.022 1.00 13.50 N ATOM 107 CA LYS A 8 22.593 35.597 0.702 1.00 11.83 C ATOM 108 C LYS A 8 21.997 34.201 0.481 1.00 12.94 C ATOM 109 O LYS A 8 22.710 33.257 0.207 1.00 11.22 O ATOM 110 CB LYS A 8 22.598 35.927 2.195 1.00 13.35 C ATOM 111 CG LYS A 8 23.361 37.236 2.413 1.00 9.72 C ATOM 112 CD LYS A 8 23.413 37.566 3.905 1.00 17.72 C ATOM 113 CE LYS A 8 24.000 38.966 4.101 1.00 15.70 C ATOM 114 NZ LYS A 8 25.205 39.127 3.238 1.00 22.87 N ATOM 0 H LYS A 8 20.965 36.962 0.467 1.00 13.50 H new ATOM 0 HA LYS A 8 23.612 35.598 0.316 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.576 36.021 2.563 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.067 35.120 2.758 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.372 37.148 2.016 1.00 9.72 H new ATOM 0 HG3 LYS A 8 22.874 38.046 1.869 1.00 9.72 H new ATOM 0 HD2 LYS A 8 22.412 37.517 4.334 1.00 17.72 H new ATOM 0 HD3 LYS A 8 24.021 36.829 4.430 1.00 17.72 H new ATOM 0 HE2 LYS A 8 23.256 39.722 3.849 1.00 15.70 H new ATOM 0 HE3 LYS A 8 24.266 39.117 5.147 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 25.781 39.918 3.590 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 25.768 38.253 3.261 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 24.908 39.323 2.261 1.00 22.87 H new ATOM 128 N ILE A 9 20.704 34.054 0.597 1.00 11.05 N ATOM 129 CA ILE A 9 20.095 32.706 0.391 1.00 13.61 C ATOM 130 C ILE A 9 20.001 32.415 -1.107 1.00 12.23 C ATOM 131 O ILE A 9 19.589 33.249 -1.889 1.00 12.72 O ATOM 132 CB ILE A 9 18.694 32.662 1.008 1.00 14.29 C ATOM 133 CG1 ILE A 9 17.850 33.790 0.412 1.00 20.74 C ATOM 134 CG2 ILE A 9 18.802 32.822 2.527 1.00 15.26 C ATOM 135 CD1 ILE A 9 16.772 34.235 1.408 1.00 25.19 C ATOM 0 H ILE A 9 20.048 34.801 0.823 1.00 11.05 H new ATOM 0 HA ILE A 9 20.720 31.955 0.874 1.00 13.61 H new ATOM 0 HB ILE A 9 18.218 31.706 0.789 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.489 34.635 0.157 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.382 33.453 -0.513 1.00 20.74 H new ATOM 0 HG21 ILE A 9 17.806 32.791 2.968 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.405 32.012 2.936 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.272 33.778 2.760 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.180 35.038 0.969 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.122 33.392 1.642 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.246 34.592 2.322 1.00 25.19 H new ATOM 147 N GLN A 10 20.384 31.235 -1.511 1.00 11.13 N ATOM 148 CA GLN A 10 20.326 30.876 -2.957 1.00 10.86 C ATOM 149 C GLN A 10 20.028 29.375 -3.093 1.00 10.00 C ATOM 150 O GLN A 10 20.416 28.600 -2.242 1.00 10.42 O ATOM 151 CB GLN A 10 21.679 31.183 -3.609 1.00 14.27 C ATOM 152 CG GLN A 10 21.843 32.694 -3.772 1.00 22.05 C ATOM 153 CD GLN A 10 23.202 32.995 -4.407 1.00 30.84 C ATOM 154 OE1 GLN A 10 24.087 32.041 -4.509 1.00 32.99 O flip ATOM 155 NE2 GLN A 10 23.462 34.110 -4.815 1.00 34.61 N flip ATOM 0 H GLN A 10 20.737 30.500 -0.898 1.00 11.13 H new ATOM 0 HA GLN A 10 19.543 31.453 -3.448 1.00 10.86 H new ATOM 0 HB2 GLN A 10 22.487 30.784 -2.996 1.00 14.27 H new ATOM 0 HB3 GLN A 10 21.744 30.694 -4.581 1.00 14.27 H new ATOM 0 HG2 GLN A 10 21.042 33.092 -4.395 1.00 22.05 H new ATOM 0 HG3 GLN A 10 21.766 33.185 -2.802 1.00 22.05 H new ATOM 0 HE21 GLN A 10 22.771 34.856 -4.736 1.00 34.61 H new ATOM 0 HE22 GLN A 10 24.371 34.300 -5.237 1.00 34.61 H new ATOM 164 N PRO A 11 19.357 28.994 -4.159 1.00 6.53 N ATOM 165 CA PRO A 11 19.029 27.578 -4.394 1.00 7.75 C ATOM 166 C PRO A 11 20.310 26.740 -4.417 1.00 6.33 C ATOM 167 O PRO A 11 21.237 27.020 -5.152 1.00 9.49 O ATOM 168 CB PRO A 11 18.330 27.551 -5.762 1.00 8.32 C ATOM 169 CG PRO A 11 18.227 29.015 -6.262 1.00 7.94 C ATOM 170 CD PRO A 11 18.876 29.920 -5.203 1.00 11.72 C ATOM 0 HA PRO A 11 18.395 27.162 -3.611 1.00 7.75 H new ATOM 0 HB2 PRO A 11 18.895 26.943 -6.469 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.339 27.104 -5.678 1.00 8.32 H new ATOM 0 HG2 PRO A 11 18.732 29.127 -7.222 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.184 29.294 -6.416 1.00 7.94 H new ATOM 0 HD2 PRO A 11 19.697 30.499 -5.627 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.158 30.633 -4.799 1.00 11.72 H new ATOM 178 N GLY A 12 20.366 25.715 -3.617 1.00 5.64 N ATOM 179 CA GLY A 12 21.580 24.857 -3.584 1.00 8.39 C ATOM 180 C GLY A 12 22.644 25.507 -2.698 1.00 7.67 C ATOM 181 O GLY A 12 23.819 25.218 -2.809 1.00 10.24 O ATOM 0 H GLY A 12 19.620 25.433 -2.981 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.328 23.868 -3.201 1.00 8.39 H new ATOM 0 HA3 GLY A 12 21.968 24.719 -4.593 1.00 8.39 H new ATOM 185 N LYS A 13 22.239 26.382 -1.818 1.00 9.66 N ATOM 186 CA LYS A 13 23.221 27.056 -0.919 1.00 10.29 C ATOM 187 C LYS A 13 22.648 27.120 0.496 1.00 10.20 C ATOM 188 O LYS A 13 21.501 27.473 0.694 1.00 6.89 O ATOM 189 CB LYS A 13 23.476 28.478 -1.424 1.00 9.77 C ATOM 190 CG LYS A 13 24.680 29.074 -0.692 1.00 10.63 C ATOM 191 CD LYS A 13 24.732 30.581 -0.945 1.00 12.04 C ATOM 192 CE LYS A 13 25.863 31.202 -0.124 1.00 19.12 C ATOM 193 NZ LYS A 13 25.628 30.939 1.324 1.00 25.36 N ATOM 0 H LYS A 13 21.267 26.660 -1.682 1.00 9.66 H new ATOM 0 HA LYS A 13 24.156 26.496 -0.912 1.00 10.29 H new ATOM 0 HB2 LYS A 13 23.660 28.466 -2.498 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.594 29.097 -1.259 1.00 9.77 H new ATOM 0 HG2 LYS A 13 24.604 28.876 0.377 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.600 28.604 -1.039 1.00 10.63 H new ATOM 0 HD2 LYS A 13 24.890 30.776 -2.006 1.00 12.04 H new ATOM 0 HD3 LYS A 13 23.780 31.038 -0.675 1.00 12.04 H new ATOM 0 HE2 LYS A 13 26.821 30.783 -0.430 1.00 19.12 H new ATOM 0 HE3 LYS A 13 25.912 32.276 -0.306 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 26.002 31.730 1.886 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 24.607 30.843 1.498 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 26.111 30.060 1.600 1.00 25.36 H new ATOM 207 N VAL A 14 23.432 26.782 1.485 1.00 10.89 N ATOM 208 CA VAL A 14 22.927 26.825 2.883 1.00 9.99 C ATOM 209 C VAL A 14 23.442 28.086 3.576 1.00 5.01 C ATOM 210 O VAL A 14 24.592 28.457 3.444 1.00 6.68 O ATOM 211 CB VAL A 14 23.410 25.592 3.644 1.00 7.84 C ATOM 212 CG1 VAL A 14 22.878 25.637 5.077 1.00 9.33 C ATOM 213 CG2 VAL A 14 22.891 24.331 2.949 1.00 5.86 C ATOM 0 H VAL A 14 24.400 26.478 1.382 1.00 10.89 H new ATOM 0 HA VAL A 14 21.837 26.837 2.870 1.00 9.99 H new ATOM 0 HB VAL A 14 24.500 25.578 3.661 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.222 24.757 5.621 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.244 26.536 5.573 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.788 25.650 5.060 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.235 23.450 3.490 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.801 24.346 2.934 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.267 24.298 1.926 1.00 5.86 H new ATOM 223 N VAL A 15 22.598 28.745 4.321 1.00 3.11 N ATOM 224 CA VAL A 15 23.028 29.980 5.035 1.00 10.10 C ATOM 225 C VAL A 15 22.330 30.013 6.396 1.00 9.35 C ATOM 226 O VAL A 15 21.221 29.537 6.542 1.00 11.00 O ATOM 227 CB VAL A 15 22.653 31.218 4.190 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.555 32.041 4.875 1.00 15.82 C ATOM 229 CG2 VAL A 15 23.888 32.103 3.998 1.00 10.96 C ATOM 0 H VAL A 15 21.624 28.480 4.467 1.00 3.11 H new ATOM 0 HA VAL A 15 24.108 29.987 5.184 1.00 10.10 H new ATOM 0 HB VAL A 15 22.283 30.870 3.226 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.311 32.906 4.259 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.665 31.425 5.004 1.00 15.82 H new ATOM 0 HG13 VAL A 15 21.908 32.378 5.850 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.621 32.976 3.402 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.258 32.427 4.971 1.00 10.96 H new ATOM 0 HG23 VAL A 15 24.665 31.537 3.485 1.00 10.96 H new ATOM 239 N VAL A 16 22.972 30.552 7.397 1.00 8.87 N ATOM 240 CA VAL A 16 22.346 30.591 8.747 1.00 5.41 C ATOM 241 C VAL A 16 22.474 31.984 9.365 1.00 6.62 C ATOM 242 O VAL A 16 23.562 32.487 9.566 1.00 8.94 O ATOM 243 CB VAL A 16 23.051 29.586 9.656 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.313 29.508 10.992 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.053 28.208 8.994 1.00 5.31 C ATOM 0 H VAL A 16 23.902 30.966 7.337 1.00 8.87 H new ATOM 0 HA VAL A 16 21.289 30.343 8.646 1.00 5.41 H new ATOM 0 HB VAL A 16 24.079 29.907 9.824 1.00 7.47 H new ATOM 0 HG11 VAL A 16 22.814 28.791 11.643 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.313 30.490 11.465 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.285 29.187 10.822 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.556 27.493 9.644 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.026 27.884 8.825 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.578 28.263 8.040 1.00 5.31 H new ATOM 255 N PHE A 17 21.371 32.594 9.705 1.00 5.51 N ATOM 256 CA PHE A 17 21.429 33.933 10.350 1.00 5.80 C ATOM 257 C PHE A 17 21.515 33.712 11.859 1.00 7.23 C ATOM 258 O PHE A 17 20.721 32.992 12.433 1.00 5.39 O ATOM 259 CB PHE A 17 20.167 34.722 10.003 1.00 5.73 C ATOM 260 CG PHE A 17 20.185 35.063 8.532 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.770 34.113 7.589 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.623 36.324 8.110 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.793 34.426 6.225 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.647 36.636 6.746 1.00 5.88 C ATOM 265 CZ PHE A 17 20.233 35.687 5.803 1.00 5.73 C ATOM 0 H PHE A 17 20.432 32.221 9.563 1.00 5.51 H new ATOM 0 HA PHE A 17 22.293 34.498 10.000 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.280 34.136 10.242 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.117 35.633 10.599 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.433 33.140 7.915 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.942 37.056 8.837 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.471 33.695 5.498 1.00 9.93 H new ATOM 0 HE2 PHE A 17 20.985 37.609 6.421 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.253 35.927 4.750 1.00 5.73 H new ATOM 275 N ILE A 18 22.497 34.284 12.504 1.00 8.64 N ATOM 276 CA ILE A 18 22.651 34.057 13.971 1.00 6.83 C ATOM 277 C ILE A 18 22.903 35.366 14.711 1.00 10.62 C ATOM 278 O ILE A 18 22.844 36.444 14.156 1.00 6.74 O ATOM 279 CB ILE A 18 23.845 33.124 14.196 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.115 33.751 13.608 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.582 31.779 13.508 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.327 32.914 14.019 1.00 8.36 C ATOM 0 H ILE A 18 23.196 34.895 12.081 1.00 8.64 H new ATOM 0 HA ILE A 18 21.730 33.618 14.355 1.00 6.83 H new ATOM 0 HB ILE A 18 23.979 32.970 15.267 1.00 6.39 H new ATOM 0 HG12 ILE A 18 25.042 33.798 12.521 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.228 34.775 13.964 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.432 31.116 13.669 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.684 31.326 13.927 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.443 31.938 12.439 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.232 33.356 13.603 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.401 32.890 15.106 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.213 31.898 13.641 1.00 8.36 H new ATOM 294 N LYS A 19 23.207 35.250 15.971 1.00 12.12 N ATOM 295 CA LYS A 19 23.503 36.437 16.813 1.00 15.62 C ATOM 296 C LYS A 19 24.543 35.995 17.850 1.00 16.36 C ATOM 297 O LYS A 19 24.186 35.409 18.849 1.00 13.35 O ATOM 298 CB LYS A 19 22.224 36.898 17.531 1.00 18.25 C ATOM 299 CG LYS A 19 21.348 37.731 16.574 1.00 25.24 C ATOM 300 CD LYS A 19 20.762 38.938 17.314 1.00 30.64 C ATOM 301 CE LYS A 19 19.755 38.464 18.361 1.00 31.75 C ATOM 302 NZ LYS A 19 19.248 39.638 19.123 1.00 38.73 N ATOM 0 H LYS A 19 23.264 34.359 16.464 1.00 12.12 H new ATOM 0 HA LYS A 19 23.874 37.264 16.208 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.665 36.032 17.886 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.484 37.491 18.408 1.00 18.25 H new ATOM 0 HG2 LYS A 19 21.942 38.068 15.725 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.543 37.114 16.174 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.560 39.505 17.794 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.276 39.609 16.606 1.00 30.64 H new ATOM 0 HE2 LYS A 19 18.927 37.945 17.877 1.00 31.75 H new ATOM 0 HE3 LYS A 19 20.226 37.752 19.039 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.562 39.319 19.837 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 20.043 40.115 19.595 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 18.785 40.302 18.470 1.00 38.73 H new ATOM 316 N PRO A 20 25.802 36.247 17.571 1.00 17.46 N ATOM 317 CA PRO A 20 26.896 35.831 18.468 1.00 20.12 C ATOM 318 C PRO A 20 26.611 36.244 19.916 1.00 24.12 C ATOM 319 O PRO A 20 27.295 37.068 20.488 1.00 24.58 O ATOM 320 CB PRO A 20 28.146 36.521 17.905 1.00 20.63 C ATOM 321 CG PRO A 20 27.767 37.111 16.523 1.00 18.08 C ATOM 322 CD PRO A 20 26.244 36.970 16.360 1.00 17.14 C ATOM 0 HA PRO A 20 27.019 34.748 18.501 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.486 37.308 18.578 1.00 20.63 H new ATOM 0 HB3 PRO A 20 28.966 35.809 17.807 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.064 38.158 16.459 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.288 36.582 15.725 1.00 18.08 H new ATOM 0 HD2 PRO A 20 25.762 37.945 16.283 1.00 17.14 H new ATOM 0 HD3 PRO A 20 25.992 36.417 15.455 1.00 17.14 H new ATOM 330 N THR A 21 25.611 35.653 20.510 1.00 24.78 N ATOM 331 CA THR A 21 25.265 35.974 21.922 1.00 27.36 C ATOM 332 C THR A 21 24.374 34.863 22.481 1.00 24.99 C ATOM 333 O THR A 21 24.456 34.513 23.642 1.00 26.49 O ATOM 334 CB THR A 21 24.503 37.302 21.984 1.00 28.64 C ATOM 335 OG1 THR A 21 23.487 37.306 20.992 1.00 30.99 O ATOM 336 CG2 THR A 21 25.459 38.472 21.740 1.00 34.82 C ATOM 0 H THR A 21 25.012 34.953 20.071 1.00 24.78 H new ATOM 0 HA THR A 21 26.180 36.055 22.508 1.00 27.36 H new ATOM 0 HB THR A 21 24.056 37.411 22.972 1.00 28.64 H new ATOM 0 HG1 THR A 21 22.996 38.153 21.030 1.00 30.99 H new ATOM 0 HG21 THR A 21 24.906 39.410 21.787 1.00 34.82 H new ATOM 0 HG22 THR A 21 26.237 38.471 22.503 1.00 34.82 H new ATOM 0 HG23 THR A 21 25.916 38.369 20.756 1.00 34.82 H new ATOM 344 N CYS A 22 23.514 34.313 21.664 1.00 21.46 N ATOM 345 CA CYS A 22 22.607 33.234 22.151 1.00 17.23 C ATOM 346 C CYS A 22 23.190 31.852 21.795 1.00 14.71 C ATOM 347 O CYS A 22 23.532 31.615 20.654 1.00 13.71 O ATOM 348 CB CYS A 22 21.235 33.401 21.495 1.00 15.71 C ATOM 349 SG CYS A 22 19.951 33.000 22.707 1.00 9.78 S ATOM 0 H CYS A 22 23.401 34.565 20.682 1.00 21.46 H new ATOM 0 HA CYS A 22 22.509 33.304 23.234 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.110 34.423 21.138 1.00 15.71 H new ATOM 0 HB3 CYS A 22 21.151 32.748 20.627 1.00 15.71 H new ATOM 0 HG CYS A 22 18.780 33.141 22.161 1.00 9.78 H new ATOM 354 N PRO A 23 23.291 30.977 22.778 1.00 13.86 N ATOM 355 CA PRO A 23 23.834 29.618 22.568 1.00 13.47 C ATOM 356 C PRO A 23 22.979 28.802 21.586 1.00 8.59 C ATOM 357 O PRO A 23 23.409 27.776 21.101 1.00 10.79 O ATOM 358 CB PRO A 23 23.811 28.961 23.952 1.00 11.94 C ATOM 359 CG PRO A 23 23.295 30.007 24.961 1.00 7.24 C ATOM 360 CD PRO A 23 22.893 31.264 24.172 1.00 12.58 C ATOM 0 HA PRO A 23 24.834 29.661 22.135 1.00 13.47 H new ATOM 0 HB2 PRO A 23 23.165 28.083 23.948 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.809 28.621 24.230 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.442 29.615 25.515 1.00 7.24 H new ATOM 0 HG3 PRO A 23 24.067 30.246 25.692 1.00 7.24 H new ATOM 0 HD2 PRO A 23 21.822 31.453 24.247 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.400 32.150 24.554 1.00 12.58 H new ATOM 368 N TYR A 24 21.781 29.228 21.290 1.00 0.00 N ATOM 369 CA TYR A 24 20.936 28.438 20.341 1.00 0.00 C ATOM 370 C TYR A 24 21.503 28.549 18.929 1.00 0.00 C ATOM 371 O TYR A 24 21.587 27.574 18.208 1.00 0.00 O ATOM 372 CB TYR A 24 19.491 28.953 20.359 1.00 0.00 C ATOM 373 CG TYR A 24 18.720 28.248 21.448 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.848 28.652 22.781 1.00 0.00 C ATOM 375 CD2 TYR A 24 17.879 27.176 21.117 1.00 0.00 C ATOM 376 CE1 TYR A 24 18.138 27.984 23.786 1.00 0.00 C ATOM 377 CE2 TYR A 24 17.167 26.510 22.121 1.00 0.00 C ATOM 378 CZ TYR A 24 17.298 26.913 23.455 1.00 0.00 C ATOM 379 OH TYR A 24 16.601 26.251 24.446 1.00 0.00 O ATOM 0 H TYR A 24 21.352 30.078 21.657 1.00 0.00 H new ATOM 0 HA TYR A 24 20.942 27.394 20.653 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.479 30.030 20.529 1.00 0.00 H new ATOM 0 HB3 TYR A 24 19.019 28.778 19.392 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.494 29.479 23.035 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.781 26.864 20.088 1.00 0.00 H new ATOM 0 HE1 TYR A 24 18.238 28.294 24.816 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.517 25.686 21.867 1.00 0.00 H new ATOM 0 HH TYR A 24 16.065 25.535 24.046 1.00 0.00 H new ATOM 389 N SER A 25 21.895 29.719 18.530 1.00 0.00 N ATOM 390 CA SER A 25 22.459 29.882 17.165 1.00 0.00 C ATOM 391 C SER A 25 23.787 29.124 17.065 1.00 0.00 C ATOM 392 O SER A 25 24.152 28.630 16.018 1.00 0.00 O ATOM 393 CB SER A 25 22.693 31.366 16.891 1.00 0.00 C ATOM 394 OG SER A 25 21.878 32.138 17.762 1.00 0.00 O ATOM 0 H SER A 25 21.850 30.572 19.088 1.00 0.00 H new ATOM 0 HA SER A 25 21.761 29.481 16.430 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.744 31.614 17.042 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.457 31.598 15.852 1.00 0.00 H new ATOM 0 HG SER A 25 22.238 33.047 17.827 1.00 0.00 H new ATOM 400 N ARG A 26 24.510 29.026 18.145 1.00 16.21 N ATOM 401 CA ARG A 26 25.815 28.296 18.110 1.00 15.67 C ATOM 402 C ARG A 26 25.572 26.828 17.737 1.00 13.70 C ATOM 403 O ARG A 26 26.243 26.279 16.887 1.00 12.41 O ATOM 404 CB ARG A 26 26.479 28.365 19.494 1.00 22.04 C ATOM 405 CG ARG A 26 27.706 29.287 19.451 1.00 31.64 C ATOM 406 CD ARG A 26 28.826 28.643 18.616 1.00 43.08 C ATOM 407 NE ARG A 26 30.137 28.768 19.333 1.00 52.93 N ATOM 408 CZ ARG A 26 30.490 29.889 19.911 1.00 57.80 C ATOM 409 NH1 ARG A 26 29.743 30.952 19.801 1.00 58.61 N ATOM 410 NH2 ARG A 26 31.609 29.952 20.580 1.00 59.59 N ATOM 0 H ARG A 26 24.257 29.418 19.052 1.00 16.21 H new ATOM 0 HA ARG A 26 26.467 28.758 17.369 1.00 15.67 H new ATOM 0 HB2 ARG A 26 25.764 28.734 20.230 1.00 22.04 H new ATOM 0 HB3 ARG A 26 26.777 27.366 19.812 1.00 22.04 H new ATOM 0 HG2 ARG A 26 27.431 30.251 19.022 1.00 31.64 H new ATOM 0 HG3 ARG A 26 28.062 29.479 20.463 1.00 31.64 H new ATOM 0 HD2 ARG A 26 28.599 27.592 18.437 1.00 43.08 H new ATOM 0 HD3 ARG A 26 28.888 29.126 17.641 1.00 43.08 H new ATOM 0 HE ARG A 26 30.765 27.965 19.371 1.00 52.93 H new ATOM 0 HH11 ARG A 26 28.878 30.914 19.262 1.00 58.61 H new ATOM 0 HH12 ARG A 26 30.024 31.822 20.254 1.00 58.61 H new ATOM 0 HH21 ARG A 26 32.207 29.129 20.652 1.00 59.59 H new ATOM 0 HH22 ARG A 26 31.885 30.824 21.031 1.00 59.59 H new ATOM 424 N ARG A 27 24.624 26.183 18.368 1.00 0.00 N ATOM 425 CA ARG A 27 24.363 24.752 18.037 1.00 0.00 C ATOM 426 C ARG A 27 24.204 24.618 16.526 1.00 0.00 C ATOM 427 O ARG A 27 24.708 23.695 15.918 1.00 0.00 O ATOM 428 CB ARG A 27 23.085 24.271 18.732 1.00 0.00 C ATOM 429 CG ARG A 27 22.990 24.878 20.135 1.00 0.00 C ATOM 430 CD ARG A 27 24.334 24.758 20.865 1.00 0.00 C ATOM 431 NE ARG A 27 24.952 23.415 20.606 1.00 0.00 N ATOM 432 CZ ARG A 27 24.279 22.308 20.784 1.00 0.00 C ATOM 433 NH1 ARG A 27 23.081 22.336 21.299 1.00 0.00 N ATOM 434 NH2 ARG A 27 24.823 21.162 20.474 1.00 0.00 N ATOM 0 H ARG A 27 24.025 26.582 19.091 1.00 0.00 H new ATOM 0 HA ARG A 27 25.198 24.142 18.382 1.00 0.00 H new ATOM 0 HB2 ARG A 27 22.213 24.556 18.144 1.00 0.00 H new ATOM 0 HB3 ARG A 27 23.084 23.183 18.797 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.700 25.926 20.065 1.00 0.00 H new ATOM 0 HG3 ARG A 27 22.213 24.370 20.706 1.00 0.00 H new ATOM 0 HD2 ARG A 27 25.008 25.546 20.531 1.00 0.00 H new ATOM 0 HD3 ARG A 27 24.187 24.897 21.936 1.00 0.00 H new ATOM 0 HE ARG A 27 25.919 23.365 20.284 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.662 23.226 21.567 1.00 0.00 H new ATOM 0 HH12 ARG A 27 22.564 21.467 21.434 1.00 0.00 H new ATOM 0 HH21 ARG A 27 25.769 21.133 20.095 1.00 0.00 H new ATOM 0 HH22 ARG A 27 24.302 20.296 20.611 1.00 0.00 H new ATOM 448 N ALA A 28 23.520 25.542 15.910 1.00 0.00 N ATOM 449 CA ALA A 28 23.350 25.470 14.436 1.00 0.00 C ATOM 450 C ALA A 28 24.736 25.513 13.791 1.00 0.00 C ATOM 451 O ALA A 28 25.006 24.839 12.819 1.00 0.00 O ATOM 452 CB ALA A 28 22.520 26.660 13.954 1.00 0.00 C ATOM 0 H ALA A 28 23.074 26.340 16.363 1.00 0.00 H new ATOM 0 HA ALA A 28 22.835 24.549 14.161 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.397 26.604 12.872 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.541 26.638 14.432 1.00 0.00 H new ATOM 0 HB3 ALA A 28 23.029 27.588 14.214 1.00 0.00 H new ATOM 458 N GLN A 29 25.617 26.304 14.337 1.00 19.83 N ATOM 459 CA GLN A 29 26.992 26.400 13.777 1.00 20.83 C ATOM 460 C GLN A 29 27.763 25.113 14.081 1.00 20.95 C ATOM 461 O GLN A 29 28.434 24.558 13.234 1.00 22.85 O ATOM 462 CB GLN A 29 27.718 27.584 14.425 1.00 21.33 C ATOM 463 CG GLN A 29 27.046 28.903 14.021 1.00 34.02 C ATOM 464 CD GLN A 29 28.076 30.035 14.061 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.112 30.871 13.181 1.00 42.72 O ATOM 466 NE2 GLN A 29 28.927 30.093 15.048 1.00 45.49 N ATOM 0 H GLN A 29 25.441 26.891 15.152 1.00 19.83 H new ATOM 0 HA GLN A 29 26.935 26.544 12.698 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.705 27.478 15.510 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.764 27.591 14.118 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.624 28.816 13.020 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.220 29.125 14.697 1.00 34.02 H new ATOM 0 HE21 GLN A 29 28.898 29.392 15.788 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.621 30.840 15.080 1.00 45.49 H new ATOM 475 N GLU A 30 27.684 24.653 15.295 1.00 22.87 N ATOM 476 CA GLU A 30 28.420 23.419 15.689 1.00 23.32 C ATOM 477 C GLU A 30 27.823 22.183 15.004 1.00 22.32 C ATOM 478 O GLU A 30 28.530 21.254 14.671 1.00 25.42 O ATOM 479 CB GLU A 30 28.337 23.255 17.208 1.00 24.18 C ATOM 480 CG GLU A 30 29.204 24.320 17.883 1.00 32.27 C ATOM 481 CD GLU A 30 29.123 24.163 19.403 1.00 34.97 C ATOM 482 OE1 GLU A 30 28.394 23.293 19.850 1.00 32.92 O ATOM 483 OE2 GLU A 30 29.789 24.916 20.094 1.00 34.69 O ATOM 0 H GLU A 30 27.136 25.082 16.040 1.00 22.87 H new ATOM 0 HA GLU A 30 29.460 23.513 15.376 1.00 23.32 H new ATOM 0 HB2 GLU A 30 27.303 23.349 17.539 1.00 24.18 H new ATOM 0 HB3 GLU A 30 28.674 22.259 17.496 1.00 24.18 H new ATOM 0 HG2 GLU A 30 30.238 24.224 17.552 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.867 25.315 17.592 1.00 32.27 H new ATOM 490 N ILE A 31 26.532 22.147 14.800 1.00 0.00 N ATOM 491 CA ILE A 31 25.923 20.946 14.151 1.00 0.00 C ATOM 492 C ILE A 31 26.189 20.973 12.640 1.00 0.00 C ATOM 493 O ILE A 31 26.761 20.052 12.093 1.00 0.00 O ATOM 494 CB ILE A 31 24.413 20.909 14.444 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.854 19.501 14.168 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.671 21.943 13.595 1.00 0.00 C ATOM 497 CD1 ILE A 31 24.013 19.124 12.689 1.00 0.00 C ATOM 0 H ILE A 31 25.878 22.888 15.051 1.00 0.00 H new ATOM 0 HA ILE A 31 26.377 20.043 14.559 1.00 0.00 H new ATOM 0 HB ILE A 31 24.261 21.153 15.495 1.00 0.00 H new ATOM 0 HG12 ILE A 31 24.373 18.772 14.790 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.800 19.464 14.445 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.605 21.900 13.818 1.00 0.00 H new ATOM 0 HG22 ILE A 31 24.049 22.940 13.823 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.830 21.728 12.538 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.610 18.125 12.523 1.00 0.00 H new ATOM 0 HD12 ILE A 31 23.473 19.841 12.071 1.00 0.00 H new ATOM 0 HD13 ILE A 31 25.070 19.138 12.422 1.00 0.00 H new ATOM 509 N LEU A 32 25.796 22.013 11.956 1.00 16.72 N ATOM 510 CA LEU A 32 26.049 22.067 10.493 1.00 15.05 C ATOM 511 C LEU A 32 27.552 21.956 10.240 1.00 15.55 C ATOM 512 O LEU A 32 27.986 21.595 9.164 1.00 17.28 O ATOM 513 CB LEU A 32 25.513 23.391 9.932 1.00 12.57 C ATOM 514 CG LEU A 32 24.065 23.210 9.443 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.272 24.493 9.698 1.00 10.68 C ATOM 516 CD2 LEU A 32 24.062 22.909 7.937 1.00 12.45 C ATOM 0 H LEU A 32 25.313 22.822 12.347 1.00 16.72 H new ATOM 0 HA LEU A 32 25.541 21.241 9.996 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.552 24.163 10.701 1.00 12.57 H new ATOM 0 HB3 LEU A 32 26.144 23.728 9.109 1.00 12.57 H new ATOM 0 HG LEU A 32 23.607 22.382 9.984 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.247 24.362 9.351 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.268 24.712 10.766 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.735 25.320 9.159 1.00 10.68 H new ATOM 0 HD21 LEU A 32 23.035 22.781 7.594 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.524 23.737 7.400 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.624 21.995 7.748 1.00 12.45 H new ATOM 528 N SER A 33 28.350 22.253 11.225 1.00 16.31 N ATOM 529 CA SER A 33 29.821 22.150 11.037 1.00 18.98 C ATOM 530 C SER A 33 30.187 20.681 10.808 1.00 18.49 C ATOM 531 O SER A 33 31.138 20.365 10.119 1.00 21.34 O ATOM 532 CB SER A 33 30.533 22.672 12.286 1.00 19.20 C ATOM 533 OG SER A 33 30.538 24.093 12.265 1.00 24.11 O ATOM 0 H SER A 33 28.048 22.562 12.149 1.00 16.31 H new ATOM 0 HA SER A 33 30.130 22.745 10.177 1.00 18.98 H new ATOM 0 HB2 SER A 33 30.029 22.312 13.183 1.00 19.20 H new ATOM 0 HB3 SER A 33 31.555 22.294 12.321 1.00 19.20 H new ATOM 0 HG SER A 33 29.780 24.431 12.787 1.00 24.11 H new ATOM 539 N GLN A 34 29.434 19.779 11.381 1.00 20.00 N ATOM 540 CA GLN A 34 29.728 18.329 11.201 1.00 24.71 C ATOM 541 C GLN A 34 29.010 17.792 9.957 1.00 23.33 C ATOM 542 O GLN A 34 29.065 16.613 9.668 1.00 26.27 O ATOM 543 CB GLN A 34 29.245 17.556 12.431 1.00 28.15 C ATOM 544 CG GLN A 34 30.285 17.660 13.548 1.00 37.01 C ATOM 545 CD GLN A 34 30.288 19.078 14.118 1.00 41.74 C ATOM 546 OE1 GLN A 34 30.914 20.026 13.476 1.00 44.07 O flip ATOM 547 NE2 GLN A 34 29.717 19.326 15.162 1.00 41.20 N flip ATOM 0 H GLN A 34 28.626 19.986 11.968 1.00 20.00 H new ATOM 0 HA GLN A 34 30.803 18.200 11.077 1.00 24.71 H new ATOM 0 HB2 GLN A 34 28.290 17.956 12.772 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.078 16.510 12.173 1.00 28.15 H new ATOM 0 HG2 GLN A 34 30.060 16.941 14.336 1.00 37.01 H new ATOM 0 HG3 GLN A 34 31.273 17.411 13.162 1.00 37.01 H new ATOM 0 HE21 GLN A 34 29.228 18.585 15.664 1.00 41.20 H new ATOM 0 HE22 GLN A 34 29.727 20.275 15.536 1.00 41.20 H new ATOM 556 N LEU A 35 28.331 18.633 9.218 1.00 19.63 N ATOM 557 CA LEU A 35 27.615 18.141 8.007 1.00 15.93 C ATOM 558 C LEU A 35 28.538 18.267 6.779 1.00 13.36 C ATOM 559 O LEU A 35 29.081 19.326 6.535 1.00 16.12 O ATOM 560 CB LEU A 35 26.350 18.987 7.797 1.00 13.69 C ATOM 561 CG LEU A 35 25.207 18.477 8.695 1.00 11.57 C ATOM 562 CD1 LEU A 35 23.959 19.337 8.468 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.873 17.018 8.354 1.00 16.28 C ATOM 0 H LEU A 35 28.243 19.633 9.401 1.00 19.63 H new ATOM 0 HA LEU A 35 27.337 17.095 8.138 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.562 20.032 8.025 1.00 13.69 H new ATOM 0 HB3 LEU A 35 26.046 18.944 6.751 1.00 13.69 H new ATOM 0 HG LEU A 35 25.524 18.541 9.736 1.00 11.57 H new ATOM 0 HD11 LEU A 35 23.149 18.978 9.103 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.182 20.375 8.717 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.657 19.271 7.423 1.00 11.03 H new ATOM 0 HD21 LEU A 35 24.064 16.670 8.996 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.564 16.950 7.311 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.754 16.396 8.512 1.00 16.28 H new ATOM 575 N PRO A 36 28.701 17.183 6.040 1.00 16.38 N ATOM 576 CA PRO A 36 29.570 17.177 4.845 1.00 17.59 C ATOM 577 C PRO A 36 29.006 18.109 3.767 1.00 19.11 C ATOM 578 O PRO A 36 28.645 17.687 2.686 1.00 21.54 O ATOM 579 CB PRO A 36 29.566 15.718 4.363 1.00 16.71 C ATOM 580 CG PRO A 36 28.478 14.973 5.167 1.00 16.59 C ATOM 581 CD PRO A 36 28.047 15.889 6.321 1.00 15.74 C ATOM 0 HA PRO A 36 30.577 17.531 5.064 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.357 15.667 3.294 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.542 15.259 4.520 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.627 14.734 4.529 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.864 14.029 5.551 1.00 16.59 H new ATOM 0 HD2 PRO A 36 26.963 15.994 6.359 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.362 15.487 7.284 1.00 15.74 H new ATOM 589 N ILE A 37 28.941 19.374 4.054 1.00 0.00 N ATOM 590 CA ILE A 37 28.414 20.342 3.050 1.00 0.00 C ATOM 591 C ILE A 37 29.520 20.664 2.045 1.00 0.00 C ATOM 592 O ILE A 37 30.689 20.673 2.375 1.00 0.00 O ATOM 593 CB ILE A 37 27.974 21.629 3.753 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.790 21.320 4.687 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.569 22.666 2.697 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.462 21.486 3.941 1.00 0.00 C ATOM 0 H ILE A 37 29.230 19.784 4.942 1.00 0.00 H new ATOM 0 HA ILE A 37 27.558 19.906 2.535 1.00 0.00 H new ATOM 0 HB ILE A 37 28.794 22.031 4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.875 20.302 5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.816 21.986 5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.255 23.585 3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.419 22.876 2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.745 22.275 2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.635 21.264 4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.372 22.511 3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.433 20.801 3.094 1.00 0.00 H new ATOM 608 N LYS A 38 29.162 20.911 0.816 1.00 12.68 N ATOM 609 CA LYS A 38 30.190 21.214 -0.216 1.00 12.78 C ATOM 610 C LYS A 38 31.093 22.361 0.252 1.00 14.66 C ATOM 611 O LYS A 38 31.005 22.815 1.374 1.00 13.94 O ATOM 612 CB LYS A 38 29.498 21.596 -1.527 1.00 11.68 C ATOM 613 CG LYS A 38 28.728 20.388 -2.090 1.00 12.28 C ATOM 614 CD LYS A 38 28.997 20.257 -3.592 1.00 13.74 C ATOM 615 CE LYS A 38 28.037 19.232 -4.195 1.00 20.88 C ATOM 616 NZ LYS A 38 26.635 19.648 -3.917 1.00 29.41 N ATOM 0 H LYS A 38 28.198 20.916 0.482 1.00 12.68 H new ATOM 0 HA LYS A 38 30.807 20.330 -0.375 1.00 12.78 H new ATOM 0 HB2 LYS A 38 28.813 22.427 -1.357 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.238 21.936 -2.252 1.00 11.68 H new ATOM 0 HG2 LYS A 38 29.035 19.477 -1.575 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.660 20.511 -1.912 1.00 12.28 H new ATOM 0 HD2 LYS A 38 28.868 21.223 -4.081 1.00 13.74 H new ATOM 0 HD3 LYS A 38 30.029 19.949 -3.762 1.00 13.74 H new ATOM 0 HE2 LYS A 38 28.199 19.154 -5.270 1.00 20.88 H new ATOM 0 HE3 LYS A 38 28.227 18.246 -3.771 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 26.024 19.357 -4.706 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 26.306 19.196 -3.040 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 26.594 20.682 -3.811 1.00 29.41 H new ATOM 630 N GLN A 39 31.974 22.809 -0.607 1.00 0.00 N ATOM 631 CA GLN A 39 32.920 23.911 -0.247 1.00 0.00 C ATOM 632 C GLN A 39 32.181 25.104 0.374 1.00 0.00 C ATOM 633 O GLN A 39 31.430 24.966 1.317 1.00 0.00 O ATOM 634 CB GLN A 39 33.660 24.369 -1.509 1.00 0.00 C ATOM 635 CG GLN A 39 34.135 23.143 -2.294 1.00 0.00 C ATOM 636 CD GLN A 39 35.165 23.570 -3.342 1.00 0.00 C ATOM 637 OE1 GLN A 39 36.192 24.130 -3.010 1.00 0.00 O ATOM 638 NE2 GLN A 39 34.934 23.326 -4.603 1.00 0.00 N ATOM 0 H GLN A 39 32.080 22.453 -1.557 1.00 0.00 H new ATOM 0 HA GLN A 39 33.626 23.531 0.491 1.00 0.00 H new ATOM 0 HB2 GLN A 39 33.002 24.979 -2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.511 24.993 -1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 39 34.574 22.412 -1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 39 33.287 22.659 -2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 39 34.073 22.856 -4.882 1.00 0.00 H new ATOM 0 HE22 GLN A 39 35.615 23.605 -5.309 1.00 0.00 H new ATOM 647 N GLY A 40 32.421 26.284 -0.136 1.00 11.96 N ATOM 648 CA GLY A 40 31.771 27.503 0.428 1.00 8.67 C ATOM 649 C GLY A 40 30.254 27.439 0.258 1.00 10.51 C ATOM 650 O GLY A 40 29.630 28.391 -0.169 1.00 15.27 O ATOM 0 H GLY A 40 33.044 26.456 -0.925 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.019 27.596 1.485 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.160 28.391 -0.070 1.00 8.67 H new ATOM 654 N LEU A 41 29.651 26.338 0.601 1.00 8.78 N ATOM 655 CA LEU A 41 28.166 26.230 0.473 1.00 6.78 C ATOM 656 C LEU A 41 27.526 26.424 1.852 1.00 7.45 C ATOM 657 O LEU A 41 26.342 26.666 1.967 1.00 2.18 O ATOM 658 CB LEU A 41 27.792 24.852 -0.100 1.00 6.98 C ATOM 659 CG LEU A 41 26.911 25.015 -1.353 1.00 7.77 C ATOM 660 CD1 LEU A 41 27.798 25.171 -2.591 1.00 7.97 C ATOM 661 CD2 LEU A 41 26.016 23.781 -1.523 1.00 6.68 C ATOM 0 H LEU A 41 30.118 25.507 0.964 1.00 8.78 H new ATOM 0 HA LEU A 41 27.798 27.000 -0.205 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.696 24.298 -0.352 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.261 24.269 0.653 1.00 6.98 H new ATOM 0 HG LEU A 41 26.288 25.902 -1.237 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.171 25.286 -3.475 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.430 26.052 -2.477 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.425 24.286 -2.703 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.395 23.901 -2.411 1.00 6.68 H new ATOM 0 HD22 LEU A 41 26.638 22.893 -1.633 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.378 23.671 -0.646 1.00 6.68 H new ATOM 673 N LEU A 42 28.307 26.333 2.896 1.00 7.13 N ATOM 674 CA LEU A 42 27.760 26.529 4.270 1.00 6.20 C ATOM 675 C LEU A 42 28.305 27.845 4.823 1.00 5.03 C ATOM 676 O LEU A 42 29.495 28.087 4.798 1.00 5.38 O ATOM 677 CB LEU A 42 28.213 25.379 5.173 1.00 3.82 C ATOM 678 CG LEU A 42 27.766 25.638 6.617 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.244 25.817 6.671 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.170 24.446 7.487 1.00 2.48 C ATOM 0 H LEU A 42 29.306 26.130 2.855 1.00 7.13 H new ATOM 0 HA LEU A 42 26.671 26.552 4.237 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.792 24.439 4.817 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.298 25.279 5.132 1.00 3.82 H new ATOM 0 HG LEU A 42 28.243 26.546 6.986 1.00 3.80 H new ATOM 0 HD11 LEU A 42 25.936 26.000 7.700 1.00 3.57 H new ATOM 0 HD12 LEU A 42 25.955 26.664 6.049 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.758 24.914 6.302 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.855 24.623 8.515 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.690 23.542 7.111 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.252 24.322 7.455 1.00 2.48 H new ATOM 692 N GLU A 43 27.454 28.705 5.315 1.00 5.92 N ATOM 693 CA GLU A 43 27.949 30.005 5.857 1.00 7.54 C ATOM 694 C GLU A 43 27.166 30.389 7.115 1.00 6.00 C ATOM 695 O GLU A 43 26.160 29.795 7.447 1.00 4.97 O ATOM 696 CB GLU A 43 27.770 31.095 4.796 1.00 8.77 C ATOM 697 CG GLU A 43 28.293 32.430 5.337 1.00 16.17 C ATOM 698 CD GLU A 43 28.589 33.376 4.171 1.00 21.65 C ATOM 699 OE1 GLU A 43 29.491 33.077 3.406 1.00 22.03 O ATOM 700 OE2 GLU A 43 27.908 34.383 4.064 1.00 19.19 O ATOM 0 H GLU A 43 26.445 28.566 5.365 1.00 5.92 H new ATOM 0 HA GLU A 43 29.003 29.904 6.114 1.00 7.54 H new ATOM 0 HB2 GLU A 43 28.307 30.824 3.887 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.717 31.187 4.528 1.00 8.77 H new ATOM 0 HG2 GLU A 43 27.556 32.878 6.004 1.00 16.17 H new ATOM 0 HG3 GLU A 43 29.196 32.267 5.925 1.00 16.17 H new ATOM 707 N PHE A 44 27.627 31.395 7.809 1.00 7.78 N ATOM 708 CA PHE A 44 26.931 31.858 9.044 1.00 9.60 C ATOM 709 C PHE A 44 26.812 33.381 8.978 1.00 6.71 C ATOM 710 O PHE A 44 27.798 34.092 9.002 1.00 6.85 O ATOM 711 CB PHE A 44 27.746 31.450 10.273 1.00 12.09 C ATOM 712 CG PHE A 44 28.168 30.006 10.130 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.256 28.979 10.404 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.468 29.694 9.716 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.645 27.642 10.265 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.857 28.356 9.578 1.00 16.33 C ATOM 717 CZ PHE A 44 28.945 27.331 9.853 1.00 10.85 C ATOM 0 H PHE A 44 28.467 31.922 7.569 1.00 7.78 H new ATOM 0 HA PHE A 44 25.941 31.408 9.117 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.623 32.090 10.372 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.152 31.580 11.178 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.252 29.219 10.723 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.171 30.485 9.503 1.00 15.90 H new ATOM 0 HE1 PHE A 44 26.941 26.850 10.476 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.860 28.115 9.259 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.245 26.299 9.747 1.00 10.85 H new ATOM 727 N VAL A 45 25.616 33.886 8.856 1.00 6.10 N ATOM 728 CA VAL A 45 25.436 35.363 8.742 1.00 6.58 C ATOM 729 C VAL A 45 25.121 35.987 10.102 1.00 6.12 C ATOM 730 O VAL A 45 24.003 35.938 10.576 1.00 5.14 O ATOM 731 CB VAL A 45 24.277 35.647 7.786 1.00 5.25 C ATOM 732 CG1 VAL A 45 24.037 37.155 7.705 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.620 35.103 6.398 1.00 2.33 C ATOM 0 H VAL A 45 24.754 33.341 8.830 1.00 6.10 H new ATOM 0 HA VAL A 45 26.363 35.798 8.368 1.00 6.58 H new ATOM 0 HB VAL A 45 23.373 35.160 8.153 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.211 37.356 7.023 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.792 37.538 8.695 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.938 37.648 7.338 1.00 2.00 H new ATOM 0 HG21 VAL A 45 23.795 35.304 5.714 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.523 35.589 6.030 1.00 2.33 H new ATOM 0 HG23 VAL A 45 24.786 34.027 6.460 1.00 2.33 H new ATOM 743 N ASP A 46 26.093 36.600 10.719 1.00 6.79 N ATOM 744 CA ASP A 46 25.847 37.257 12.029 1.00 6.49 C ATOM 745 C ASP A 46 25.191 38.615 11.768 1.00 9.11 C ATOM 746 O ASP A 46 25.849 39.573 11.414 1.00 7.52 O ATOM 747 CB ASP A 46 27.178 37.455 12.754 1.00 7.84 C ATOM 748 CG ASP A 46 27.959 36.139 12.760 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.499 35.197 12.136 1.00 15.32 O ATOM 750 OD2 ASP A 46 29.004 36.096 13.388 1.00 10.50 O ATOM 0 H ASP A 46 27.049 36.673 10.370 1.00 6.79 H new ATOM 0 HA ASP A 46 25.195 36.641 12.649 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.760 38.233 12.261 1.00 7.84 H new ATOM 0 HB3 ASP A 46 27.001 37.789 13.776 1.00 7.84 H new ATOM 755 N ILE A 47 23.898 38.702 11.917 1.00 8.21 N ATOM 756 CA ILE A 47 23.204 39.996 11.654 1.00 8.33 C ATOM 757 C ILE A 47 23.703 41.070 12.624 1.00 10.92 C ATOM 758 O ILE A 47 23.273 42.205 12.576 1.00 9.40 O ATOM 759 CB ILE A 47 21.693 39.816 11.814 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.378 39.265 13.206 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.182 38.835 10.759 1.00 3.40 C ATOM 762 CD1 ILE A 47 19.867 39.311 13.435 1.00 7.93 C ATOM 0 H ILE A 47 23.292 37.935 12.209 1.00 8.21 H new ATOM 0 HA ILE A 47 23.423 40.312 10.634 1.00 8.33 H new ATOM 0 HB ILE A 47 21.204 40.782 11.688 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.740 38.241 13.295 1.00 6.34 H new ATOM 0 HG13 ILE A 47 21.891 39.852 13.967 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.106 38.706 10.873 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.398 39.225 9.764 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.678 37.873 10.887 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.637 38.919 14.426 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.519 40.341 13.362 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.366 38.705 12.680 1.00 7.93 H new ATOM 774 N THR A 48 24.603 40.727 13.506 1.00 13.41 N ATOM 775 CA THR A 48 25.117 41.738 14.476 1.00 16.67 C ATOM 776 C THR A 48 26.418 42.345 13.944 1.00 16.58 C ATOM 777 O THR A 48 26.760 43.468 14.254 1.00 18.03 O ATOM 778 CB THR A 48 25.386 41.062 15.823 1.00 15.80 C ATOM 779 OG1 THR A 48 26.492 40.180 15.694 1.00 21.06 O ATOM 780 CG2 THR A 48 24.149 40.273 16.258 1.00 21.72 C ATOM 0 H THR A 48 25.004 39.793 13.597 1.00 13.41 H new ATOM 0 HA THR A 48 24.375 42.526 14.604 1.00 16.67 H new ATOM 0 HB THR A 48 25.610 41.821 16.573 1.00 15.80 H new ATOM 0 HG1 THR A 48 26.869 39.996 16.580 1.00 21.06 H new ATOM 0 HG21 THR A 48 24.343 39.793 17.217 1.00 21.72 H new ATOM 0 HG22 THR A 48 23.301 40.951 16.356 1.00 21.72 H new ATOM 0 HG23 THR A 48 23.921 39.513 15.511 1.00 21.72 H new ATOM 788 N ALA A 49 27.142 41.615 13.141 1.00 15.36 N ATOM 789 CA ALA A 49 28.415 42.158 12.589 1.00 18.08 C ATOM 790 C ALA A 49 28.104 43.115 11.434 1.00 20.63 C ATOM 791 O ALA A 49 28.959 43.429 10.630 1.00 22.45 O ATOM 792 CB ALA A 49 29.285 41.007 12.079 1.00 18.76 C ATOM 0 H ALA A 49 26.908 40.668 12.844 1.00 15.36 H new ATOM 0 HA ALA A 49 28.949 42.696 13.372 1.00 18.08 H new ATOM 0 HB1 ALA A 49 30.216 41.406 11.675 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.508 40.327 12.901 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.752 40.467 11.296 1.00 18.76 H new ATOM 798 N THR A 50 26.884 43.577 11.340 1.00 22.30 N ATOM 799 CA THR A 50 26.521 44.507 10.229 1.00 25.27 C ATOM 800 C THR A 50 25.493 45.535 10.715 1.00 24.34 C ATOM 801 O THR A 50 25.100 46.420 9.983 1.00 25.49 O ATOM 802 CB THR A 50 25.924 43.702 9.070 1.00 22.85 C ATOM 803 OG1 THR A 50 25.770 44.548 7.939 1.00 23.28 O ATOM 804 CG2 THR A 50 24.559 43.141 9.479 1.00 25.63 C ATOM 0 H THR A 50 26.125 43.351 11.983 1.00 22.30 H new ATOM 0 HA THR A 50 27.417 45.030 9.895 1.00 25.27 H new ATOM 0 HB THR A 50 26.591 42.877 8.821 1.00 22.85 H new ATOM 0 HG1 THR A 50 25.391 45.407 8.222 1.00 23.28 H new ATOM 0 HG21 THR A 50 24.138 42.569 8.652 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.678 42.491 10.346 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.888 43.963 9.730 1.00 25.63 H new ATOM 812 N ASN A 51 25.048 45.425 11.938 1.00 0.00 N ATOM 813 CA ASN A 51 24.041 46.395 12.457 1.00 0.00 C ATOM 814 C ASN A 51 22.716 46.171 11.709 1.00 0.00 C ATOM 815 O ASN A 51 22.507 45.129 11.122 1.00 0.00 O ATOM 816 CB ASN A 51 24.573 47.834 12.283 1.00 0.00 C ATOM 817 CG ASN A 51 23.768 48.605 11.235 1.00 0.00 C ATOM 818 OD1 ASN A 51 23.967 48.428 10.053 1.00 0.00 O ATOM 819 ND2 ASN A 51 22.868 49.465 11.627 1.00 0.00 N ATOM 0 H ASN A 51 25.338 44.705 12.600 1.00 0.00 H new ATOM 0 HA ASN A 51 23.863 46.242 13.521 1.00 0.00 H new ATOM 0 HB2 ASN A 51 24.527 48.358 13.237 1.00 0.00 H new ATOM 0 HB3 ASN A 51 25.622 47.802 11.987 1.00 0.00 H new ATOM 0 HD21 ASN A 51 22.330 49.990 10.938 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.703 49.612 12.623 1.00 0.00 H new ATOM 826 N HIS A 52 21.812 47.114 11.736 1.00 0.00 N ATOM 827 CA HIS A 52 20.510 46.904 11.034 1.00 0.00 C ATOM 828 C HIS A 52 19.868 45.630 11.591 1.00 0.00 C ATOM 829 O HIS A 52 18.914 45.108 11.050 1.00 0.00 O ATOM 830 CB HIS A 52 20.741 46.732 9.526 1.00 0.00 C ATOM 831 CG HIS A 52 21.570 47.867 8.989 1.00 0.00 C ATOM 832 ND1 HIS A 52 21.541 49.221 9.219 1.00 0.00 N flip ATOM 833 CD2 HIS A 52 22.577 47.665 8.057 1.00 0.00 C flip ATOM 834 CE1 HIS A 52 22.510 49.850 8.442 1.00 0.00 C flip ATOM 835 NE2 HIS A 52 23.105 48.866 7.761 1.00 0.00 N flip ATOM 0 H HIS A 52 21.916 48.012 12.208 1.00 0.00 H new ATOM 0 HA HIS A 52 19.863 47.766 11.194 1.00 0.00 H new ATOM 0 HB2 HIS A 52 21.244 45.784 9.335 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.783 46.696 9.007 1.00 0.00 H new ATOM 0 HD2 HIS A 52 22.882 46.715 7.644 1.00 0.00 H new ATOM 0 HE1 HIS A 52 22.733 50.906 8.399 1.00 0.00 H new ATOM 0 HE2 HIS A 52 23.867 49.008 7.098 1.00 0.00 H new ATOM 843 N THR A 53 20.410 45.124 12.664 1.00 18.27 N ATOM 844 CA THR A 53 19.883 43.871 13.285 1.00 16.01 C ATOM 845 C THR A 53 18.355 43.789 13.168 1.00 16.57 C ATOM 846 O THR A 53 17.822 42.954 12.466 1.00 18.87 O ATOM 847 CB THR A 53 20.278 43.851 14.770 1.00 15.02 C ATOM 848 OG1 THR A 53 21.207 44.896 15.019 1.00 13.32 O ATOM 849 CG2 THR A 53 20.915 42.505 15.128 1.00 9.59 C ATOM 0 H THR A 53 21.210 45.532 13.147 1.00 18.27 H new ATOM 0 HA THR A 53 20.310 43.017 12.760 1.00 16.01 H new ATOM 0 HB THR A 53 19.387 43.994 15.381 1.00 15.02 H new ATOM 0 HG1 THR A 53 21.461 44.889 15.965 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.191 42.502 16.182 1.00 9.59 H new ATOM 0 HG22 THR A 53 20.202 41.703 14.937 1.00 9.59 H new ATOM 0 HG23 THR A 53 21.806 42.351 14.519 1.00 9.59 H new ATOM 857 N ASN A 54 17.647 44.627 13.872 1.00 13.94 N ATOM 858 CA ASN A 54 16.157 44.568 13.831 1.00 18.93 C ATOM 859 C ASN A 54 15.649 44.620 12.391 1.00 16.34 C ATOM 860 O ASN A 54 14.624 44.055 12.076 1.00 15.61 O ATOM 861 CB ASN A 54 15.579 45.748 14.613 1.00 24.12 C ATOM 862 CG ASN A 54 16.278 45.852 15.970 1.00 35.27 C ATOM 863 OD1 ASN A 54 16.878 44.902 16.432 1.00 45.21 O ATOM 864 ND2 ASN A 54 16.225 46.976 16.631 1.00 37.58 N ATOM 0 H ASN A 54 18.035 45.352 14.475 1.00 13.94 H new ATOM 0 HA ASN A 54 15.836 43.628 14.280 1.00 18.93 H new ATOM 0 HB2 ASN A 54 15.714 46.672 14.051 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.506 45.614 14.754 1.00 24.12 H new ATOM 0 HD21 ASN A 54 16.688 47.057 17.536 1.00 37.58 H new ATOM 0 HD22 ASN A 54 15.721 47.773 16.242 1.00 37.58 H new ATOM 871 N GLU A 55 16.338 45.287 11.513 1.00 16.09 N ATOM 872 CA GLU A 55 15.854 45.356 10.106 1.00 15.04 C ATOM 873 C GLU A 55 15.901 43.963 9.469 1.00 15.56 C ATOM 874 O GLU A 55 14.962 43.538 8.826 1.00 18.95 O ATOM 875 CB GLU A 55 16.726 46.322 9.308 1.00 18.55 C ATOM 876 CG GLU A 55 16.734 47.687 9.998 1.00 23.55 C ATOM 877 CD GLU A 55 15.314 48.256 10.030 1.00 30.41 C ATOM 878 OE1 GLU A 55 14.774 48.510 8.966 1.00 31.49 O ATOM 879 OE2 GLU A 55 14.790 48.429 11.118 1.00 33.02 O ATOM 0 H GLU A 55 17.208 45.784 11.704 1.00 16.09 H new ATOM 0 HA GLU A 55 14.825 45.714 10.099 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.742 45.934 9.232 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.345 46.418 8.291 1.00 18.55 H new ATOM 0 HG2 GLU A 55 17.120 47.590 11.013 1.00 23.55 H new ATOM 0 HG3 GLU A 55 17.398 48.370 9.468 1.00 23.55 H new ATOM 886 N ILE A 56 16.980 43.243 9.632 1.00 9.56 N ATOM 887 CA ILE A 56 17.054 41.885 9.019 1.00 8.91 C ATOM 888 C ILE A 56 16.041 40.957 9.697 1.00 7.70 C ATOM 889 O ILE A 56 15.237 40.326 9.042 1.00 9.84 O ATOM 890 CB ILE A 56 18.467 41.315 9.174 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.418 42.025 8.194 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.450 39.812 8.868 1.00 2.31 C ATOM 893 CD1 ILE A 56 20.078 43.219 8.885 1.00 8.03 C ATOM 0 H ILE A 56 17.805 43.533 10.157 1.00 9.56 H new ATOM 0 HA ILE A 56 16.818 41.960 7.957 1.00 8.91 H new ATOM 0 HB ILE A 56 18.811 41.475 10.196 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.180 41.329 7.844 1.00 6.47 H new ATOM 0 HG13 ILE A 56 18.866 42.361 7.316 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.456 39.407 8.978 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.777 39.307 9.561 1.00 2.31 H new ATOM 0 HG23 ILE A 56 18.105 39.653 7.846 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.750 43.718 8.187 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.310 43.920 9.213 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.645 42.872 9.749 1.00 8.03 H new ATOM 905 N GLN A 57 16.059 40.869 11.000 1.00 7.49 N ATOM 906 CA GLN A 57 15.079 39.978 11.683 1.00 6.88 C ATOM 907 C GLN A 57 13.685 40.436 11.285 1.00 9.50 C ATOM 908 O GLN A 57 12.812 39.643 10.994 1.00 11.03 O ATOM 909 CB GLN A 57 15.226 40.098 13.199 1.00 11.02 C ATOM 910 CG GLN A 57 16.703 40.282 13.557 1.00 12.13 C ATOM 911 CD GLN A 57 17.016 39.544 14.862 1.00 16.77 C ATOM 912 OE1 GLN A 57 17.358 38.378 14.847 1.00 17.49 O ATOM 913 NE2 GLN A 57 16.915 40.180 15.996 1.00 17.84 N ATOM 0 H GLN A 57 16.702 41.369 11.614 1.00 7.49 H new ATOM 0 HA GLN A 57 15.252 38.941 11.394 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.644 40.944 13.565 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.832 39.205 13.685 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.332 39.900 12.753 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.931 41.342 13.664 1.00 12.13 H new ATOM 0 HE21 GLN A 57 16.628 41.159 16.008 1.00 17.84 H new ATOM 0 HE22 GLN A 57 17.123 39.699 16.871 1.00 17.84 H new ATOM 922 N ASP A 58 13.481 41.721 11.247 1.00 13.48 N ATOM 923 CA ASP A 58 12.155 42.239 10.841 1.00 13.94 C ATOM 924 C ASP A 58 11.840 41.652 9.471 1.00 13.32 C ATOM 925 O ASP A 58 10.708 41.347 9.153 1.00 14.28 O ATOM 926 CB ASP A 58 12.210 43.767 10.748 1.00 12.80 C ATOM 927 CG ASP A 58 12.066 44.372 12.146 1.00 17.19 C ATOM 928 OD1 ASP A 58 12.349 43.672 13.104 1.00 15.13 O ATOM 929 OD2 ASP A 58 11.678 45.525 12.234 1.00 18.84 O ATOM 0 H ASP A 58 14.175 42.431 11.480 1.00 13.48 H new ATOM 0 HA ASP A 58 11.389 41.962 11.565 1.00 13.94 H new ATOM 0 HB2 ASP A 58 13.153 44.080 10.301 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.413 44.131 10.099 1.00 12.80 H new ATOM 934 N TYR A 59 12.851 41.473 8.667 1.00 12.69 N ATOM 935 CA TYR A 59 12.630 40.880 7.320 1.00 10.10 C ATOM 936 C TYR A 59 12.463 39.367 7.458 1.00 7.75 C ATOM 937 O TYR A 59 11.522 38.790 6.950 1.00 5.81 O ATOM 938 CB TYR A 59 13.820 41.177 6.410 1.00 12.40 C ATOM 939 CG TYR A 59 13.490 40.717 5.010 1.00 12.76 C ATOM 940 CD1 TYR A 59 12.831 41.580 4.126 1.00 11.52 C ATOM 941 CD2 TYR A 59 13.837 39.425 4.599 1.00 6.81 C ATOM 942 CE1 TYR A 59 12.523 41.152 2.830 1.00 8.47 C ATOM 943 CE2 TYR A 59 13.527 38.997 3.301 1.00 10.94 C ATOM 944 CZ TYR A 59 12.871 39.861 2.417 1.00 9.37 C ATOM 945 OH TYR A 59 12.567 39.439 1.139 1.00 12.99 O ATOM 0 H TYR A 59 13.819 41.711 8.884 1.00 12.69 H new ATOM 0 HA TYR A 59 11.732 41.316 6.882 1.00 10.10 H new ATOM 0 HB2 TYR A 59 14.041 42.244 6.414 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.711 40.666 6.775 1.00 12.40 H new ATOM 0 HD1 TYR A 59 12.560 42.576 4.444 1.00 11.52 H new ATOM 0 HD2 TYR A 59 14.343 38.758 5.281 1.00 6.81 H new ATOM 0 HE1 TYR A 59 12.016 41.819 2.148 1.00 8.47 H new ATOM 0 HE2 TYR A 59 13.794 38.000 2.983 1.00 10.94 H new ATOM 0 HH TYR A 59 13.156 38.696 0.891 1.00 12.99 H new ATOM 955 N LEU A 60 13.365 38.715 8.148 1.00 10.71 N ATOM 956 CA LEU A 60 13.237 37.241 8.314 1.00 11.04 C ATOM 957 C LEU A 60 11.839 36.942 8.844 1.00 10.32 C ATOM 958 O LEU A 60 11.240 35.934 8.530 1.00 14.61 O ATOM 959 CB LEU A 60 14.283 36.729 9.311 1.00 7.24 C ATOM 960 CG LEU A 60 15.694 37.051 8.805 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.722 36.600 9.846 1.00 9.54 C ATOM 962 CD2 LEU A 60 15.952 36.316 7.484 1.00 7.23 C ATOM 0 H LEU A 60 14.176 39.138 8.599 1.00 10.71 H new ATOM 0 HA LEU A 60 13.397 36.744 7.357 1.00 11.04 H new ATOM 0 HB2 LEU A 60 14.124 37.190 10.286 1.00 7.24 H new ATOM 0 HB3 LEU A 60 14.173 35.653 9.445 1.00 7.24 H new ATOM 0 HG LEU A 60 15.782 38.125 8.643 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.726 36.828 9.488 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.543 37.124 10.785 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.629 35.526 10.007 1.00 9.54 H new ATOM 0 HD21 LEU A 60 16.956 36.548 7.129 1.00 7.23 H new ATOM 0 HD22 LEU A 60 15.862 35.241 7.642 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.221 36.636 6.741 1.00 7.23 H new ATOM 974 N GLN A 61 11.314 37.829 9.639 1.00 10.78 N ATOM 975 CA GLN A 61 9.951 37.629 10.190 1.00 11.72 C ATOM 976 C GLN A 61 8.946 37.540 9.036 1.00 14.05 C ATOM 977 O GLN A 61 8.219 36.578 8.907 1.00 14.24 O ATOM 978 CB GLN A 61 9.601 38.824 11.081 1.00 17.47 C ATOM 979 CG GLN A 61 8.223 38.618 11.710 1.00 25.06 C ATOM 980 CD GLN A 61 8.361 37.822 13.010 1.00 31.26 C ATOM 981 OE1 GLN A 61 9.298 37.066 13.176 1.00 40.45 O ATOM 982 NE2 GLN A 61 7.459 37.957 13.944 1.00 30.05 N ATOM 0 H GLN A 61 11.776 38.690 9.932 1.00 10.78 H new ATOM 0 HA GLN A 61 9.914 36.708 10.772 1.00 11.72 H new ATOM 0 HB2 GLN A 61 10.353 38.939 11.861 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.608 39.742 10.493 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.757 39.583 11.911 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.571 38.088 11.015 1.00 25.06 H new ATOM 0 HE21 GLN A 61 6.672 38.591 13.805 1.00 30.05 H new ATOM 0 HE22 GLN A 61 7.541 37.428 14.812 1.00 30.05 H new ATOM 991 N GLN A 62 8.897 38.539 8.198 1.00 15.71 N ATOM 992 CA GLN A 62 7.932 38.512 7.060 1.00 18.54 C ATOM 993 C GLN A 62 8.302 37.387 6.091 1.00 19.36 C ATOM 994 O GLN A 62 7.448 36.690 5.580 1.00 19.52 O ATOM 995 CB GLN A 62 7.982 39.851 6.320 1.00 25.59 C ATOM 996 CG GLN A 62 6.811 39.942 5.337 1.00 34.08 C ATOM 997 CD GLN A 62 5.527 40.279 6.096 1.00 38.28 C ATOM 998 OE1 GLN A 62 5.527 40.356 7.309 1.00 41.81 O ATOM 999 NE2 GLN A 62 4.425 40.488 5.429 1.00 36.81 N ATOM 0 H GLN A 62 9.482 39.373 8.251 1.00 15.71 H new ATOM 0 HA GLN A 62 6.927 38.340 7.446 1.00 18.54 H new ATOM 0 HB2 GLN A 62 7.935 40.674 7.034 1.00 25.59 H new ATOM 0 HB3 GLN A 62 8.927 39.947 5.785 1.00 25.59 H new ATOM 0 HG2 GLN A 62 7.012 40.706 4.586 1.00 34.08 H new ATOM 0 HG3 GLN A 62 6.694 38.997 4.807 1.00 34.08 H new ATOM 0 HE21 GLN A 62 4.425 40.423 4.411 1.00 36.81 H new ATOM 0 HE22 GLN A 62 3.564 40.716 5.926 1.00 36.81 H new ATOM 1008 N LEU A 63 9.565 37.211 5.828 1.00 17.09 N ATOM 1009 CA LEU A 63 9.985 36.136 4.881 1.00 16.00 C ATOM 1010 C LEU A 63 9.655 34.766 5.473 1.00 11.34 C ATOM 1011 O LEU A 63 9.273 33.852 4.770 1.00 10.68 O ATOM 1012 CB LEU A 63 11.495 36.241 4.625 1.00 19.91 C ATOM 1013 CG LEU A 63 11.947 35.154 3.635 1.00 21.77 C ATOM 1014 CD1 LEU A 63 11.710 35.624 2.198 1.00 21.25 C ATOM 1015 CD2 LEU A 63 13.442 34.876 3.830 1.00 19.51 C ATOM 0 H LEU A 63 10.326 37.762 6.225 1.00 17.09 H new ATOM 0 HA LEU A 63 9.449 36.255 3.939 1.00 16.00 H new ATOM 0 HB2 LEU A 63 11.735 37.227 4.227 1.00 19.91 H new ATOM 0 HB3 LEU A 63 12.038 36.135 5.564 1.00 19.91 H new ATOM 0 HG LEU A 63 11.373 34.246 3.818 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.033 34.848 1.504 1.00 21.25 H new ATOM 0 HD12 LEU A 63 10.649 35.824 2.051 1.00 21.25 H new ATOM 0 HD13 LEU A 63 12.280 36.535 2.015 1.00 21.25 H new ATOM 0 HD21 LEU A 63 13.763 34.106 3.129 1.00 19.51 H new ATOM 0 HD22 LEU A 63 14.008 35.790 3.650 1.00 19.51 H new ATOM 0 HD23 LEU A 63 13.619 34.535 4.850 1.00 19.51 H new ATOM 1027 N THR A 64 9.809 34.617 6.757 1.00 10.04 N ATOM 1028 CA THR A 64 9.518 33.302 7.406 1.00 8.87 C ATOM 1029 C THR A 64 8.306 33.443 8.327 1.00 10.75 C ATOM 1030 O THR A 64 7.280 32.823 8.127 1.00 11.38 O ATOM 1031 CB THR A 64 10.724 32.862 8.247 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.709 33.559 9.485 1.00 6.36 O ATOM 1033 CG2 THR A 64 12.036 33.166 7.515 1.00 6.96 C ATOM 0 H THR A 64 10.125 35.350 7.391 1.00 10.04 H new ATOM 0 HA THR A 64 9.315 32.562 6.632 1.00 8.87 H new ATOM 0 HB THR A 64 10.658 31.787 8.417 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.167 34.419 9.382 1.00 6.36 H new ATOM 0 HG21 THR A 64 12.878 32.846 8.129 1.00 6.96 H new ATOM 0 HG22 THR A 64 12.055 32.631 6.566 1.00 6.96 H new ATOM 0 HG23 THR A 64 12.109 34.238 7.329 1.00 6.96 H new ATOM 1041 N GLY A 65 8.429 34.247 9.346 1.00 10.19 N ATOM 1042 CA GLY A 65 7.302 34.432 10.301 1.00 13.28 C ATOM 1043 C GLY A 65 7.868 34.623 11.708 1.00 14.66 C ATOM 1044 O GLY A 65 7.501 35.537 12.416 1.00 14.79 O ATOM 0 H GLY A 65 9.268 34.787 9.559 1.00 10.19 H new ATOM 0 HA2 GLY A 65 6.704 35.298 10.015 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.641 33.566 10.276 1.00 13.28 H new ATOM 1048 N ALA A 66 8.762 33.762 12.116 1.00 12.02 N ATOM 1049 CA ALA A 66 9.362 33.885 13.479 1.00 9.85 C ATOM 1050 C ALA A 66 10.718 34.586 13.391 1.00 14.04 C ATOM 1051 O ALA A 66 11.570 34.217 12.608 1.00 17.81 O ATOM 1052 CB ALA A 66 9.549 32.492 14.081 1.00 13.74 C ATOM 0 H ALA A 66 9.104 32.976 11.563 1.00 12.02 H new ATOM 0 HA ALA A 66 8.695 34.472 14.111 1.00 9.85 H new ATOM 0 HB1 ALA A 66 9.987 32.581 15.075 1.00 13.74 H new ATOM 0 HB2 ALA A 66 8.582 31.994 14.153 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.212 31.906 13.444 1.00 13.74 H new ATOM 1058 N ARG A 67 10.928 35.585 14.204 1.00 15.81 N ATOM 1059 CA ARG A 67 12.227 36.308 14.191 1.00 16.07 C ATOM 1060 C ARG A 67 13.144 35.678 15.240 1.00 14.37 C ATOM 1061 O ARG A 67 13.905 36.351 15.906 1.00 14.43 O ATOM 1062 CB ARG A 67 11.985 37.778 14.538 1.00 15.97 C ATOM 1063 CG ARG A 67 11.126 37.884 15.811 1.00 17.12 C ATOM 1064 CD ARG A 67 11.913 38.598 16.911 1.00 22.31 C ATOM 1065 NE ARG A 67 12.301 39.958 16.444 1.00 23.80 N ATOM 1066 CZ ARG A 67 12.684 40.858 17.308 1.00 23.98 C ATOM 1067 NH1 ARG A 67 12.724 40.566 18.578 1.00 29.76 N ATOM 1068 NH2 ARG A 67 13.027 42.050 16.901 1.00 21.50 N ATOM 0 H ARG A 67 10.249 35.932 14.881 1.00 15.81 H new ATOM 0 HA ARG A 67 12.689 36.241 13.206 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.937 38.286 14.689 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.485 38.278 13.709 1.00 15.97 H new ATOM 0 HG2 ARG A 67 10.207 38.430 15.596 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.834 36.889 16.147 1.00 17.12 H new ATOM 0 HD2 ARG A 67 11.309 38.671 17.815 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.803 38.023 17.168 1.00 22.31 H new ATOM 0 HE ARG A 67 12.267 40.186 15.450 1.00 23.80 H new ATOM 0 HH11 ARG A 67 12.456 39.635 18.896 1.00 29.76 H new ATOM 0 HH12 ARG A 67 13.023 41.269 19.254 1.00 29.76 H new ATOM 0 HH21 ARG A 67 12.996 42.278 15.907 1.00 21.50 H new ATOM 0 HH22 ARG A 67 13.326 42.753 17.577 1.00 21.50 H new ATOM 1082 N THR A 68 13.059 34.385 15.398 1.00 13.52 N ATOM 1083 CA THR A 68 13.901 33.689 16.411 1.00 14.97 C ATOM 1084 C THR A 68 15.309 33.443 15.852 1.00 12.85 C ATOM 1085 O THR A 68 15.566 33.614 14.677 1.00 10.80 O ATOM 1086 CB THR A 68 13.240 32.346 16.764 1.00 13.06 C ATOM 1087 OG1 THR A 68 11.997 32.246 16.084 1.00 18.26 O ATOM 1088 CG2 THR A 68 12.997 32.257 18.275 1.00 14.06 C ATOM 0 H THR A 68 12.438 33.777 14.864 1.00 13.52 H new ATOM 0 HA THR A 68 13.986 34.309 17.303 1.00 14.97 H new ATOM 0 HB THR A 68 13.899 31.533 16.461 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.572 31.391 16.304 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.529 31.302 18.513 1.00 14.06 H new ATOM 0 HG22 THR A 68 13.948 32.336 18.802 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.341 33.070 18.587 1.00 14.06 H new ATOM 1096 N VAL A 69 16.213 33.033 16.702 1.00 8.20 N ATOM 1097 CA VAL A 69 17.614 32.755 16.264 1.00 5.92 C ATOM 1098 C VAL A 69 17.931 31.286 16.582 1.00 5.25 C ATOM 1099 O VAL A 69 17.616 30.832 17.658 1.00 5.78 O ATOM 1100 CB VAL A 69 18.573 33.654 17.056 1.00 4.36 C ATOM 1101 CG1 VAL A 69 19.934 33.717 16.363 1.00 2.07 C ATOM 1102 CG2 VAL A 69 17.989 35.063 17.159 1.00 4.08 C ATOM 0 H VAL A 69 16.038 32.877 17.695 1.00 8.20 H new ATOM 0 HA VAL A 69 17.726 32.949 15.197 1.00 5.92 H new ATOM 0 HB VAL A 69 18.702 33.237 18.055 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.604 34.358 16.935 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.357 32.714 16.300 1.00 2.07 H new ATOM 0 HG13 VAL A 69 19.813 34.124 15.359 1.00 2.07 H new ATOM 0 HG21 VAL A 69 18.672 35.700 17.722 1.00 4.08 H new ATOM 0 HG22 VAL A 69 17.851 35.474 16.159 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.027 35.022 17.670 1.00 4.08 H new ATOM 1112 N PRO A 70 18.544 30.575 15.664 1.00 5.33 N ATOM 1113 CA PRO A 70 18.952 31.083 14.336 1.00 6.04 C ATOM 1114 C PRO A 70 17.779 31.062 13.352 1.00 7.79 C ATOM 1115 O PRO A 70 16.635 30.865 13.710 1.00 7.15 O ATOM 1116 CB PRO A 70 19.998 30.062 13.870 1.00 3.22 C ATOM 1117 CG PRO A 70 19.753 28.770 14.686 1.00 6.88 C ATOM 1118 CD PRO A 70 18.909 29.168 15.907 1.00 6.17 C ATOM 0 HA PRO A 70 19.314 32.110 14.385 1.00 6.04 H new ATOM 0 HB2 PRO A 70 19.901 29.869 12.802 1.00 3.22 H new ATOM 0 HB3 PRO A 70 21.007 30.439 14.036 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.233 28.025 14.083 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.698 28.325 14.998 1.00 6.88 H new ATOM 0 HD2 PRO A 70 18.024 28.539 15.999 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.475 29.059 16.832 1.00 6.17 H new ATOM 1126 N ARG A 71 18.096 31.221 12.100 1.00 6.15 N ATOM 1127 CA ARG A 71 17.078 31.175 11.020 1.00 7.10 C ATOM 1128 C ARG A 71 17.757 30.481 9.837 1.00 4.23 C ATOM 1129 O ARG A 71 18.433 31.104 9.043 1.00 6.47 O ATOM 1130 CB ARG A 71 16.650 32.599 10.639 1.00 10.23 C ATOM 1131 CG ARG A 71 15.261 32.569 9.978 1.00 15.67 C ATOM 1132 CD ARG A 71 14.155 32.535 11.051 1.00 20.29 C ATOM 1133 NE ARG A 71 13.582 31.153 11.179 1.00 26.05 N ATOM 1134 CZ ARG A 71 13.194 30.473 10.131 1.00 19.78 C ATOM 1135 NH1 ARG A 71 13.222 31.017 8.946 1.00 22.60 N ATOM 1136 NH2 ARG A 71 12.750 29.254 10.275 1.00 23.53 N ATOM 0 H ARG A 71 19.048 31.386 11.772 1.00 6.15 H new ATOM 0 HA ARG A 71 16.180 30.641 11.330 1.00 7.10 H new ATOM 0 HB2 ARG A 71 16.626 33.231 11.527 1.00 10.23 H new ATOM 0 HB3 ARG A 71 17.378 33.036 9.956 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.134 33.446 9.344 1.00 15.67 H new ATOM 0 HG3 ARG A 71 15.177 31.695 9.333 1.00 15.67 H new ATOM 0 HD2 ARG A 71 14.562 32.856 12.010 1.00 20.29 H new ATOM 0 HD3 ARG A 71 13.365 33.239 10.789 1.00 20.29 H new ATOM 0 HE ARG A 71 13.493 30.735 12.105 1.00 26.05 H new ATOM 0 HH11 ARG A 71 13.548 31.977 8.833 1.00 22.60 H new ATOM 0 HH12 ARG A 71 12.918 30.482 8.132 1.00 22.60 H new ATOM 0 HH21 ARG A 71 12.706 28.834 11.203 1.00 23.53 H new ATOM 0 HH22 ARG A 71 12.447 28.722 9.459 1.00 23.53 H new ATOM 1150 N VAL A 72 17.633 29.184 9.754 1.00 4.55 N ATOM 1151 CA VAL A 72 18.329 28.432 8.670 1.00 6.53 C ATOM 1152 C VAL A 72 17.538 28.482 7.369 1.00 8.68 C ATOM 1153 O VAL A 72 16.335 28.652 7.358 1.00 6.48 O ATOM 1154 CB VAL A 72 18.494 26.973 9.099 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.248 26.205 8.010 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.284 26.912 10.413 1.00 3.35 C ATOM 0 H VAL A 72 17.079 28.612 10.391 1.00 4.55 H new ATOM 0 HA VAL A 72 19.302 28.894 8.500 1.00 6.53 H new ATOM 0 HB VAL A 72 17.512 26.523 9.247 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.367 25.165 8.314 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.685 26.249 7.078 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.230 26.654 7.862 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.402 25.872 10.719 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.267 27.361 10.268 1.00 3.35 H new ATOM 0 HG23 VAL A 72 18.746 27.459 11.187 1.00 3.35 H new ATOM 1166 N PHE A 73 18.226 28.341 6.267 1.00 5.39 N ATOM 1167 CA PHE A 73 17.548 28.384 4.948 1.00 6.90 C ATOM 1168 C PHE A 73 18.200 27.391 3.987 1.00 7.16 C ATOM 1169 O PHE A 73 19.087 27.747 3.236 1.00 14.07 O ATOM 1170 CB PHE A 73 17.693 29.781 4.351 1.00 6.44 C ATOM 1171 CG PHE A 73 16.805 30.755 5.080 1.00 9.57 C ATOM 1172 CD1 PHE A 73 17.285 31.434 6.205 1.00 3.78 C ATOM 1173 CD2 PHE A 73 15.507 30.994 4.618 1.00 12.42 C ATOM 1174 CE1 PHE A 73 16.466 32.353 6.868 1.00 6.98 C ATOM 1175 CE2 PHE A 73 14.686 31.911 5.283 1.00 11.45 C ATOM 1176 CZ PHE A 73 15.168 32.591 6.407 1.00 7.54 C ATOM 0 H PHE A 73 19.235 28.197 6.229 1.00 5.39 H new ATOM 0 HA PHE A 73 16.497 28.130 5.089 1.00 6.90 H new ATOM 0 HB2 PHE A 73 18.731 30.106 4.416 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.431 29.761 3.293 1.00 6.44 H new ATOM 0 HD1 PHE A 73 18.288 31.248 6.561 1.00 3.78 H new ATOM 0 HD2 PHE A 73 15.138 30.471 3.748 1.00 12.42 H new ATOM 0 HE1 PHE A 73 16.836 32.879 7.736 1.00 6.98 H new ATOM 0 HE2 PHE A 73 13.682 32.094 4.930 1.00 11.45 H new ATOM 0 HZ PHE A 73 14.536 33.301 6.919 1.00 7.54 H new ATOM 1186 N ILE A 74 17.758 26.167 3.960 1.00 5.91 N ATOM 1187 CA ILE A 74 18.359 25.214 2.991 1.00 7.08 C ATOM 1188 C ILE A 74 17.861 25.641 1.618 1.00 8.52 C ATOM 1189 O ILE A 74 16.720 25.418 1.266 1.00 6.64 O ATOM 1190 CB ILE A 74 17.899 23.789 3.298 1.00 6.37 C ATOM 1191 CG1 ILE A 74 18.005 23.538 4.805 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.780 22.793 2.537 1.00 4.80 C ATOM 1193 CD1 ILE A 74 19.406 23.911 5.297 1.00 9.34 C ATOM 0 H ILE A 74 17.020 25.790 4.555 1.00 5.91 H new ATOM 0 HA ILE A 74 19.448 25.225 3.043 1.00 7.08 H new ATOM 0 HB ILE A 74 16.863 23.659 2.984 1.00 6.37 H new ATOM 0 HG12 ILE A 74 17.255 24.126 5.334 1.00 6.27 H new ATOM 0 HG13 ILE A 74 17.800 22.490 5.023 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.452 21.777 2.756 1.00 4.80 H new ATOM 0 HG22 ILE A 74 18.697 22.979 1.466 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.818 22.914 2.847 1.00 4.80 H new ATOM 0 HD11 ILE A 74 19.475 23.730 6.370 1.00 9.34 H new ATOM 0 HD12 ILE A 74 20.148 23.304 4.778 1.00 9.34 H new ATOM 0 HD13 ILE A 74 19.594 24.965 5.094 1.00 9.34 H new ATOM 1205 N GLY A 75 18.677 26.316 0.865 1.00 9.27 N ATOM 1206 CA GLY A 75 18.201 26.820 -0.445 1.00 9.68 C ATOM 1207 C GLY A 75 17.302 28.017 -0.144 1.00 12.42 C ATOM 1208 O GLY A 75 17.489 28.696 0.846 1.00 11.15 O ATOM 0 H GLY A 75 19.645 26.539 1.098 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.040 27.113 -1.077 1.00 9.68 H new ATOM 0 HA3 GLY A 75 17.652 26.047 -0.983 1.00 9.68 H new ATOM 1212 N LYS A 76 16.320 28.284 -0.953 1.00 14.40 N ATOM 1213 CA LYS A 76 15.428 29.438 -0.648 1.00 16.68 C ATOM 1214 C LYS A 76 14.298 28.979 0.282 1.00 16.27 C ATOM 1215 O LYS A 76 13.516 29.775 0.763 1.00 14.00 O ATOM 1216 CB LYS A 76 14.848 29.997 -1.949 1.00 23.46 C ATOM 1217 CG LYS A 76 15.990 30.535 -2.822 1.00 30.10 C ATOM 1218 CD LYS A 76 15.455 31.597 -3.786 1.00 38.66 C ATOM 1219 CE LYS A 76 14.360 30.987 -4.661 1.00 42.17 C ATOM 1220 NZ LYS A 76 13.110 30.853 -3.862 1.00 44.86 N ATOM 0 H LYS A 76 16.096 27.764 -1.801 1.00 14.40 H new ATOM 0 HA LYS A 76 16.000 30.222 -0.152 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.303 29.218 -2.482 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.135 30.792 -1.731 1.00 23.46 H new ATOM 0 HG2 LYS A 76 16.770 30.963 -2.192 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.446 29.719 -3.383 1.00 30.10 H new ATOM 0 HD2 LYS A 76 15.058 32.444 -3.227 1.00 38.66 H new ATOM 0 HD3 LYS A 76 16.264 31.978 -4.410 1.00 38.66 H new ATOM 0 HE2 LYS A 76 14.182 31.616 -5.533 1.00 42.17 H new ATOM 0 HE3 LYS A 76 14.675 30.011 -5.031 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 12.289 31.072 -4.462 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 13.028 29.879 -3.506 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 13.138 31.514 -3.059 1.00 44.86 H new ATOM 1234 N ASP A 77 14.205 27.699 0.538 1.00 0.00 N ATOM 1235 CA ASP A 77 13.124 27.184 1.435 1.00 0.00 C ATOM 1236 C ASP A 77 13.611 27.128 2.890 1.00 0.00 C ATOM 1237 O ASP A 77 14.576 26.460 3.205 1.00 0.00 O ATOM 1238 CB ASP A 77 12.718 25.780 0.982 1.00 0.00 C ATOM 1239 CG ASP A 77 12.681 25.727 -0.545 1.00 0.00 C ATOM 1240 OD1 ASP A 77 11.695 26.170 -1.110 1.00 0.00 O ATOM 1241 OD2 ASP A 77 13.640 25.244 -1.125 1.00 0.00 O ATOM 0 H ASP A 77 14.832 26.986 0.164 1.00 0.00 H new ATOM 0 HA ASP A 77 12.269 27.857 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.425 25.044 1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.740 25.524 1.389 1.00 0.00 H new ATOM 1246 N SER A 78 12.942 27.813 3.780 1.00 0.00 N ATOM 1247 CA SER A 78 13.355 27.786 5.216 1.00 0.00 C ATOM 1248 C SER A 78 12.977 26.437 5.833 1.00 0.00 C ATOM 1249 O SER A 78 12.074 25.768 5.370 1.00 0.00 O ATOM 1250 CB SER A 78 12.643 28.903 5.979 1.00 0.00 C ATOM 1251 OG SER A 78 13.115 28.929 7.320 1.00 0.00 O ATOM 0 H SER A 78 12.127 28.391 3.575 1.00 0.00 H new ATOM 0 HA SER A 78 14.433 27.930 5.280 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.828 29.863 5.497 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.565 28.740 5.963 1.00 0.00 H new ATOM 0 HG SER A 78 14.092 28.859 7.324 1.00 0.00 H new ATOM 1257 N ILE A 79 13.653 26.034 6.882 1.00 14.84 N ATOM 1258 CA ILE A 79 13.318 24.729 7.534 1.00 16.24 C ATOM 1259 C ILE A 79 12.888 24.972 8.985 1.00 13.64 C ATOM 1260 O ILE A 79 12.285 24.121 9.609 1.00 15.36 O ATOM 1261 CB ILE A 79 14.533 23.793 7.506 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.783 24.522 8.030 1.00 18.59 C ATOM 1263 CG2 ILE A 79 14.778 23.330 6.068 1.00 15.93 C ATOM 1264 CD1 ILE A 79 15.818 24.482 9.564 1.00 20.45 C ATOM 0 H ILE A 79 14.420 26.550 7.314 1.00 14.84 H new ATOM 0 HA ILE A 79 12.500 24.262 6.986 1.00 16.24 H new ATOM 0 HB ILE A 79 14.335 22.933 8.145 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.681 24.054 7.626 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.780 25.556 7.686 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.641 22.664 6.042 1.00 15.93 H new ATOM 0 HG22 ILE A 79 13.899 22.799 5.702 1.00 15.93 H new ATOM 0 HG23 ILE A 79 14.969 24.196 5.434 1.00 15.93 H new ATOM 0 HD11 ILE A 79 16.707 25.001 9.921 1.00 20.45 H new ATOM 0 HD12 ILE A 79 14.928 24.971 9.961 1.00 20.45 H new ATOM 0 HD13 ILE A 79 15.843 23.446 9.900 1.00 20.45 H new ATOM 1276 N GLY A 80 13.182 26.127 9.527 1.00 12.42 N ATOM 1277 CA GLY A 80 12.777 26.419 10.938 1.00 13.73 C ATOM 1278 C GLY A 80 13.931 27.091 11.688 1.00 12.94 C ATOM 1279 O GLY A 80 14.737 27.790 11.108 1.00 13.82 O ATOM 0 H GLY A 80 13.684 26.880 9.056 1.00 12.42 H new ATOM 0 HA2 GLY A 80 11.901 27.067 10.946 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.494 25.495 11.442 1.00 13.73 H new ATOM 1283 N GLY A 81 14.009 26.888 12.980 1.00 12.24 N ATOM 1284 CA GLY A 81 15.103 27.518 13.780 1.00 10.24 C ATOM 1285 C GLY A 81 16.118 26.456 14.203 1.00 11.98 C ATOM 1286 O GLY A 81 16.394 25.520 13.478 1.00 12.42 O ATOM 0 H GLY A 81 13.360 26.312 13.516 1.00 12.24 H new ATOM 0 HA2 GLY A 81 15.597 28.291 13.191 1.00 10.24 H new ATOM 0 HA3 GLY A 81 14.686 28.006 14.661 1.00 10.24 H new ATOM 1290 N SER A 82 16.683 26.604 15.370 1.00 0.00 N ATOM 1291 CA SER A 82 17.692 25.619 15.849 1.00 0.00 C ATOM 1292 C SER A 82 17.010 24.295 16.190 1.00 0.00 C ATOM 1293 O SER A 82 17.288 23.271 15.598 1.00 0.00 O ATOM 1294 CB SER A 82 18.384 26.180 17.092 1.00 0.00 C ATOM 1295 OG SER A 82 18.693 25.117 17.983 1.00 0.00 O ATOM 0 H SER A 82 16.487 27.369 16.015 1.00 0.00 H new ATOM 0 HA SER A 82 18.429 25.442 15.065 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.295 26.707 16.808 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.737 26.906 17.585 1.00 0.00 H new ATOM 0 HG SER A 82 19.138 25.476 18.779 1.00 0.00 H new ATOM 1301 N SER A 83 16.123 24.307 17.142 1.00 0.00 N ATOM 1302 CA SER A 83 15.425 23.048 17.527 1.00 0.00 C ATOM 1303 C SER A 83 14.786 22.426 16.290 1.00 0.00 C ATOM 1304 O SER A 83 14.590 21.229 16.212 1.00 0.00 O ATOM 1305 CB SER A 83 14.344 23.358 18.564 1.00 0.00 C ATOM 1306 OG SER A 83 13.344 22.347 18.517 1.00 0.00 O ATOM 0 H SER A 83 15.849 25.134 17.672 1.00 0.00 H new ATOM 0 HA SER A 83 16.143 22.349 17.955 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.783 23.406 19.561 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.901 24.334 18.364 1.00 0.00 H new ATOM 0 HG SER A 83 12.650 22.542 19.181 1.00 0.00 H new ATOM 1312 N ASP A 84 14.467 23.227 15.318 1.00 12.98 N ATOM 1313 CA ASP A 84 13.851 22.683 14.080 1.00 14.53 C ATOM 1314 C ASP A 84 14.925 21.961 13.265 1.00 11.28 C ATOM 1315 O ASP A 84 14.723 20.866 12.780 1.00 12.09 O ATOM 1316 CB ASP A 84 13.266 23.828 13.255 1.00 17.72 C ATOM 1317 CG ASP A 84 12.261 24.608 14.105 1.00 19.35 C ATOM 1318 OD1 ASP A 84 12.668 25.148 15.121 1.00 27.06 O ATOM 1319 OD2 ASP A 84 11.103 24.651 13.726 1.00 21.94 O ATOM 0 H ASP A 84 14.606 24.237 15.326 1.00 12.98 H new ATOM 0 HA ASP A 84 13.055 21.985 14.340 1.00 14.53 H new ATOM 0 HB2 ASP A 84 14.063 24.490 12.916 1.00 17.72 H new ATOM 0 HB3 ASP A 84 12.777 23.435 12.364 1.00 17.72 H new ATOM 1324 N LEU A 85 16.068 22.571 13.114 1.00 11.34 N ATOM 1325 CA LEU A 85 17.166 21.932 12.334 1.00 11.04 C ATOM 1326 C LEU A 85 17.451 20.535 12.893 1.00 12.09 C ATOM 1327 O LEU A 85 17.362 19.542 12.199 1.00 11.43 O ATOM 1328 CB LEU A 85 18.437 22.785 12.455 1.00 9.45 C ATOM 1329 CG LEU A 85 19.393 22.472 11.293 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.669 23.310 11.431 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.767 20.985 11.307 1.00 15.31 C ATOM 0 H LEU A 85 16.290 23.489 13.499 1.00 11.34 H new ATOM 0 HA LEU A 85 16.866 21.854 11.289 1.00 11.04 H new ATOM 0 HB2 LEU A 85 18.177 23.843 12.447 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.930 22.585 13.406 1.00 9.45 H new ATOM 0 HG LEU A 85 18.894 22.713 10.354 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.343 23.085 10.605 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.413 24.369 11.411 1.00 12.34 H new ATOM 0 HD13 LEU A 85 21.160 23.073 12.375 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.445 20.772 10.480 1.00 15.31 H new ATOM 0 HD22 LEU A 85 20.257 20.742 12.250 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.865 20.382 11.201 1.00 15.31 H new ATOM 1343 N VAL A 86 17.816 20.461 14.142 1.00 0.00 N ATOM 1344 CA VAL A 86 18.142 19.140 14.753 1.00 0.00 C ATOM 1345 C VAL A 86 16.981 18.156 14.557 1.00 0.00 C ATOM 1346 O VAL A 86 17.189 17.006 14.229 1.00 0.00 O ATOM 1347 CB VAL A 86 18.428 19.324 16.254 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.942 19.329 16.491 1.00 0.00 C ATOM 1349 CG2 VAL A 86 17.842 20.652 16.741 1.00 0.00 C ATOM 0 H VAL A 86 17.903 21.261 14.769 1.00 0.00 H new ATOM 0 HA VAL A 86 19.026 18.732 14.263 1.00 0.00 H new ATOM 0 HB VAL A 86 17.969 18.502 16.804 1.00 0.00 H new ATOM 0 HG11 VAL A 86 20.143 19.459 17.554 1.00 0.00 H new ATOM 0 HG12 VAL A 86 20.366 18.383 16.155 1.00 0.00 H new ATOM 0 HG13 VAL A 86 20.395 20.148 15.933 1.00 0.00 H new ATOM 0 HG21 VAL A 86 18.049 20.773 17.804 1.00 0.00 H new ATOM 0 HG22 VAL A 86 18.295 21.474 16.187 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.764 20.655 16.579 1.00 0.00 H new ATOM 1359 N SER A 87 15.767 18.584 14.757 1.00 14.12 N ATOM 1360 CA SER A 87 14.616 17.648 14.581 1.00 14.37 C ATOM 1361 C SER A 87 14.651 17.025 13.179 1.00 13.29 C ATOM 1362 O SER A 87 14.280 15.884 12.991 1.00 11.18 O ATOM 1363 CB SER A 87 13.300 18.408 14.767 1.00 13.30 C ATOM 1364 OG SER A 87 13.087 18.649 16.152 1.00 21.79 O ATOM 0 H SER A 87 15.520 19.534 15.033 1.00 14.12 H new ATOM 0 HA SER A 87 14.689 16.856 15.326 1.00 14.37 H new ATOM 0 HB2 SER A 87 13.332 19.352 14.223 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.472 17.831 14.355 1.00 13.30 H new ATOM 0 HG SER A 87 13.519 19.491 16.408 1.00 21.79 H new ATOM 1370 N LEU A 88 15.069 17.765 12.189 1.00 0.00 N ATOM 1371 CA LEU A 88 15.111 17.207 10.802 1.00 0.00 C ATOM 1372 C LEU A 88 16.368 16.355 10.583 1.00 0.00 C ATOM 1373 O LEU A 88 16.352 15.396 9.838 1.00 0.00 O ATOM 1374 CB LEU A 88 15.103 18.356 9.793 1.00 0.00 C ATOM 1375 CG LEU A 88 13.885 19.249 10.039 1.00 0.00 C ATOM 1376 CD1 LEU A 88 13.991 20.507 9.174 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.604 18.488 9.680 1.00 0.00 C ATOM 0 H LEU A 88 15.384 18.731 12.277 1.00 0.00 H new ATOM 0 HA LEU A 88 14.235 16.573 10.663 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.019 18.940 9.885 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.077 17.961 8.777 1.00 0.00 H new ATOM 0 HG LEU A 88 13.853 19.532 11.091 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.123 21.143 9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.899 21.052 9.434 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.026 20.223 8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.739 19.128 9.857 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.634 18.200 8.629 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.526 17.594 10.299 1.00 0.00 H new ATOM 1389 N GLN A 89 17.465 16.718 11.187 1.00 0.00 N ATOM 1390 CA GLN A 89 18.728 15.951 10.970 1.00 0.00 C ATOM 1391 C GLN A 89 18.585 14.503 11.453 1.00 0.00 C ATOM 1392 O GLN A 89 18.737 13.572 10.687 1.00 0.00 O ATOM 1393 CB GLN A 89 19.870 16.630 11.729 1.00 0.00 C ATOM 1394 CG GLN A 89 21.213 16.229 11.110 1.00 0.00 C ATOM 1395 CD GLN A 89 21.350 14.705 11.107 1.00 0.00 C ATOM 1396 OE1 GLN A 89 21.450 14.090 12.150 1.00 0.00 O ATOM 1397 NE2 GLN A 89 21.358 14.066 9.969 1.00 0.00 N ATOM 0 H GLN A 89 17.544 17.512 11.822 1.00 0.00 H new ATOM 0 HA GLN A 89 18.943 15.937 9.902 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.751 17.713 11.692 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.843 16.342 12.780 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.283 16.611 10.092 1.00 0.00 H new ATOM 0 HG3 GLN A 89 22.031 16.675 11.675 1.00 0.00 H new ATOM 0 HE21 GLN A 89 21.274 14.583 9.093 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.448 13.050 9.955 1.00 0.00 H new ATOM 1406 N GLN A 90 18.316 14.296 12.713 1.00 0.00 N ATOM 1407 CA GLN A 90 18.194 12.899 13.215 1.00 0.00 C ATOM 1408 C GLN A 90 17.073 12.184 12.466 1.00 0.00 C ATOM 1409 O GLN A 90 16.989 10.973 12.459 1.00 0.00 O ATOM 1410 CB GLN A 90 17.905 12.893 14.723 1.00 0.00 C ATOM 1411 CG GLN A 90 17.243 14.204 15.149 1.00 0.00 C ATOM 1412 CD GLN A 90 16.056 14.505 14.236 1.00 0.00 C ATOM 1413 OE1 GLN A 90 16.232 14.946 13.119 1.00 0.00 O ATOM 1414 NE2 GLN A 90 14.844 14.287 14.669 1.00 0.00 N ATOM 0 H GLN A 90 18.177 15.027 13.411 1.00 0.00 H new ATOM 0 HA GLN A 90 19.136 12.378 13.042 1.00 0.00 H new ATOM 0 HB2 GLN A 90 17.255 12.054 14.971 1.00 0.00 H new ATOM 0 HB3 GLN A 90 18.833 12.752 15.276 1.00 0.00 H new ATOM 0 HG2 GLN A 90 16.909 14.134 16.184 1.00 0.00 H new ATOM 0 HG3 GLN A 90 17.965 15.019 15.102 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.697 13.916 15.608 1.00 0.00 H new ATOM 0 HE22 GLN A 90 14.044 14.487 14.069 1.00 0.00 H new ATOM 1423 N SER A 91 16.221 12.926 11.829 1.00 0.00 N ATOM 1424 CA SER A 91 15.107 12.297 11.066 1.00 0.00 C ATOM 1425 C SER A 91 15.635 11.814 9.717 1.00 0.00 C ATOM 1426 O SER A 91 15.630 10.636 9.418 1.00 0.00 O ATOM 1427 CB SER A 91 13.993 13.321 10.840 1.00 0.00 C ATOM 1428 OG SER A 91 13.331 13.575 12.072 1.00 0.00 O ATOM 0 H SER A 91 16.244 13.945 11.801 1.00 0.00 H new ATOM 0 HA SER A 91 14.709 11.454 11.630 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.409 14.246 10.440 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.283 12.946 10.103 1.00 0.00 H new ATOM 0 HG SER A 91 13.356 14.536 12.265 1.00 0.00 H new ATOM 1434 N GLY A 92 16.091 12.722 8.904 1.00 19.34 N ATOM 1435 CA GLY A 92 16.629 12.342 7.563 1.00 19.37 C ATOM 1436 C GLY A 92 16.051 13.276 6.501 1.00 22.29 C ATOM 1437 O GLY A 92 16.524 13.331 5.383 1.00 25.64 O ATOM 0 H GLY A 92 16.116 13.721 9.109 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.717 12.404 7.565 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.369 11.308 7.334 1.00 19.37 H new ATOM 1441 N GLU A 93 15.034 14.015 6.842 1.00 22.54 N ATOM 1442 CA GLU A 93 14.430 14.949 5.858 1.00 24.53 C ATOM 1443 C GLU A 93 15.425 16.077 5.567 1.00 23.48 C ATOM 1444 O GLU A 93 15.456 16.634 4.487 1.00 22.85 O ATOM 1445 CB GLU A 93 13.141 15.532 6.442 1.00 27.50 C ATOM 1446 CG GLU A 93 12.482 16.456 5.417 1.00 36.43 C ATOM 1447 CD GLU A 93 11.950 15.628 4.246 1.00 44.30 C ATOM 1448 OE1 GLU A 93 11.235 14.672 4.498 1.00 42.86 O ATOM 1449 OE2 GLU A 93 12.264 15.966 3.116 1.00 50.26 O ATOM 0 H GLU A 93 14.595 14.011 7.763 1.00 22.54 H new ATOM 0 HA GLU A 93 14.198 14.420 4.933 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.457 14.728 6.713 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.362 16.085 7.355 1.00 27.50 H new ATOM 0 HG2 GLU A 93 11.667 17.010 5.883 1.00 36.43 H new ATOM 0 HG3 GLU A 93 13.203 17.190 5.058 1.00 36.43 H new ATOM 1456 N LEU A 94 16.236 16.419 6.530 1.00 24.17 N ATOM 1457 CA LEU A 94 17.233 17.510 6.327 1.00 22.19 C ATOM 1458 C LEU A 94 18.143 17.186 5.151 1.00 22.62 C ATOM 1459 O LEU A 94 18.165 17.881 4.156 1.00 21.76 O ATOM 1460 CB LEU A 94 18.095 17.648 7.578 1.00 23.15 C ATOM 1461 CG LEU A 94 18.946 18.922 7.484 1.00 23.80 C ATOM 1462 CD1 LEU A 94 18.063 20.167 7.647 1.00 18.74 C ATOM 1463 CD2 LEU A 94 20.012 18.900 8.585 1.00 21.18 C ATOM 0 H LEU A 94 16.252 15.988 7.454 1.00 24.17 H new ATOM 0 HA LEU A 94 16.696 18.437 6.128 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.462 17.687 8.465 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.740 16.776 7.685 1.00 23.15 H new ATOM 0 HG LEU A 94 19.425 18.959 6.506 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.680 21.063 7.578 1.00 18.74 H new ATOM 0 HD12 LEU A 94 17.309 20.184 6.860 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.571 20.139 8.619 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.619 19.803 8.522 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.527 18.856 9.560 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.649 18.025 8.457 1.00 21.18 H new ATOM 1475 N LEU A 95 18.910 16.141 5.269 1.00 0.00 N ATOM 1476 CA LEU A 95 19.841 15.782 4.168 1.00 0.00 C ATOM 1477 C LEU A 95 19.041 15.644 2.883 1.00 0.00 C ATOM 1478 O LEU A 95 19.518 15.926 1.801 1.00 0.00 O ATOM 1479 CB LEU A 95 20.544 14.459 4.515 1.00 0.00 C ATOM 1480 CG LEU A 95 19.755 13.252 3.975 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.134 12.985 2.509 1.00 0.00 C ATOM 1482 CD2 LEU A 95 20.087 12.015 4.819 1.00 0.00 C ATOM 0 H LEU A 95 18.932 15.521 6.079 1.00 0.00 H new ATOM 0 HA LEU A 95 20.599 16.555 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.550 14.457 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.650 14.373 5.596 1.00 0.00 H new ATOM 0 HG LEU A 95 18.688 13.467 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.570 12.129 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 95 19.900 13.863 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.201 12.773 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.531 11.157 4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.156 11.810 4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.810 12.198 5.857 1.00 0.00 H new ATOM 1494 N THR A 96 17.821 15.228 3.001 1.00 15.75 N ATOM 1495 CA THR A 96 16.970 15.083 1.793 1.00 17.89 C ATOM 1496 C THR A 96 16.777 16.464 1.170 1.00 14.96 C ATOM 1497 O THR A 96 16.905 16.637 -0.022 1.00 17.84 O ATOM 1498 CB THR A 96 15.616 14.480 2.181 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.707 13.063 2.134 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.522 14.956 1.217 1.00 28.03 C ATOM 0 H THR A 96 17.372 14.980 3.883 1.00 15.75 H new ATOM 0 HA THR A 96 17.447 14.418 1.073 1.00 17.89 H new ATOM 0 HB THR A 96 15.357 14.803 3.189 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.844 12.671 2.383 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.566 14.519 1.506 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.450 16.043 1.256 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.771 14.645 0.202 1.00 28.03 H new ATOM 1508 N ARG A 97 16.483 17.450 1.975 1.00 12.39 N ATOM 1509 CA ARG A 97 16.291 18.821 1.430 1.00 13.82 C ATOM 1510 C ARG A 97 17.599 19.263 0.772 1.00 14.98 C ATOM 1511 O ARG A 97 17.606 19.943 -0.231 1.00 16.48 O ATOM 1512 CB ARG A 97 15.928 19.772 2.583 1.00 18.70 C ATOM 1513 CG ARG A 97 15.004 20.908 2.096 1.00 27.27 C ATOM 1514 CD ARG A 97 13.799 21.018 3.037 1.00 36.05 C ATOM 1515 NE ARG A 97 13.004 22.234 2.707 1.00 38.76 N ATOM 1516 CZ ARG A 97 11.793 22.362 3.178 1.00 40.02 C ATOM 1517 NH1 ARG A 97 11.290 21.426 3.934 1.00 39.86 N ATOM 1518 NH2 ARG A 97 11.086 23.423 2.898 1.00 40.96 N ATOM 0 H ARG A 97 16.368 17.363 2.985 1.00 12.39 H new ATOM 0 HA ARG A 97 15.487 18.836 0.694 1.00 13.82 H new ATOM 0 HB2 ARG A 97 15.434 19.213 3.378 1.00 18.70 H new ATOM 0 HB3 ARG A 97 16.837 20.196 3.009 1.00 18.70 H new ATOM 0 HG2 ARG A 97 15.549 21.851 2.073 1.00 27.27 H new ATOM 0 HG3 ARG A 97 14.668 20.709 1.078 1.00 27.27 H new ATOM 0 HD2 ARG A 97 13.174 20.129 2.947 1.00 36.05 H new ATOM 0 HD3 ARG A 97 14.138 21.065 4.072 1.00 36.05 H new ATOM 0 HE ARG A 97 13.404 22.963 2.116 1.00 38.76 H new ATOM 0 HH11 ARG A 97 11.842 20.598 4.155 1.00 39.86 H new ATOM 0 HH12 ARG A 97 10.344 21.522 4.304 1.00 39.86 H new ATOM 0 HH21 ARG A 97 11.479 24.157 2.309 1.00 40.96 H new ATOM 0 HH22 ARG A 97 10.140 23.518 3.268 1.00 40.96 H new ATOM 1532 N LEU A 98 18.706 18.861 1.327 1.00 12.44 N ATOM 1533 CA LEU A 98 20.018 19.223 0.735 1.00 12.45 C ATOM 1534 C LEU A 98 20.201 18.441 -0.572 1.00 14.25 C ATOM 1535 O LEU A 98 20.773 18.923 -1.531 1.00 12.19 O ATOM 1536 CB LEU A 98 21.122 18.836 1.725 1.00 13.23 C ATOM 1537 CG LEU A 98 21.277 19.915 2.804 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.130 19.816 3.812 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.603 19.706 3.538 1.00 15.05 C ATOM 0 H LEU A 98 18.757 18.293 2.172 1.00 12.44 H new ATOM 0 HA LEU A 98 20.065 20.293 0.530 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.883 17.880 2.190 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.065 18.705 1.195 1.00 13.23 H new ATOM 0 HG LEU A 98 21.260 20.897 2.332 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.248 20.586 4.574 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.180 19.958 3.297 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.144 18.833 4.283 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.718 20.471 4.306 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.610 18.720 4.003 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.427 19.778 2.828 1.00 15.05 H new ATOM 1551 N LYS A 99 19.727 17.225 -0.594 1.00 0.00 N ATOM 1552 CA LYS A 99 19.866 16.361 -1.804 1.00 0.00 C ATOM 1553 C LYS A 99 19.088 16.938 -2.995 1.00 0.00 C ATOM 1554 O LYS A 99 19.644 17.166 -4.052 1.00 0.00 O ATOM 1555 CB LYS A 99 19.323 14.966 -1.476 1.00 0.00 C ATOM 1556 CG LYS A 99 19.662 13.985 -2.610 1.00 0.00 C ATOM 1557 CD LYS A 99 21.000 13.288 -2.321 1.00 0.00 C ATOM 1558 CE LYS A 99 20.767 12.057 -1.440 1.00 0.00 C ATOM 1559 NZ LYS A 99 19.907 11.078 -2.165 1.00 0.00 N ATOM 0 H LYS A 99 19.241 16.786 0.188 1.00 0.00 H new ATOM 0 HA LYS A 99 20.920 16.312 -2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 99 19.752 14.612 -0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.243 15.012 -1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.870 13.243 -2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 99 19.718 14.519 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 99 21.475 12.992 -3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 99 21.680 13.979 -1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 99 21.721 11.597 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.291 12.352 -0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.371 10.148 -2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.987 11.002 -1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 19.761 11.401 -3.143 1.00 0.00 H new ATOM 1573 N GLN A 100 17.804 17.142 -2.854 1.00 18.17 N ATOM 1574 CA GLN A 100 17.005 17.662 -4.003 1.00 18.02 C ATOM 1575 C GLN A 100 17.712 18.857 -4.645 1.00 18.05 C ATOM 1576 O GLN A 100 17.607 19.074 -5.835 1.00 19.19 O ATOM 1577 CB GLN A 100 15.606 18.085 -3.532 1.00 20.45 C ATOM 1578 CG GLN A 100 15.665 18.548 -2.080 1.00 29.25 C ATOM 1579 CD GLN A 100 14.421 19.377 -1.756 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.381 20.562 -2.019 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.397 18.798 -1.191 1.00 38.64 N ATOM 0 H GLN A 100 17.276 16.972 -1.998 1.00 18.17 H new ATOM 0 HA GLN A 100 16.908 16.866 -4.741 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.228 18.888 -4.164 1.00 20.45 H new ATOM 0 HB3 GLN A 100 14.912 17.250 -3.629 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.724 17.686 -1.415 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.564 19.142 -1.913 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.431 17.803 -0.971 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.562 19.341 -0.970 1.00 38.64 H new ATOM 1590 N ILE A 101 18.430 19.634 -3.881 1.00 0.00 N ATOM 1591 CA ILE A 101 19.133 20.806 -4.475 1.00 0.00 C ATOM 1592 C ILE A 101 20.624 20.489 -4.611 1.00 0.00 C ATOM 1593 O ILE A 101 21.361 21.191 -5.274 1.00 0.00 O ATOM 1594 CB ILE A 101 18.931 22.030 -3.582 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.505 21.762 -2.190 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.435 22.328 -3.459 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.274 22.989 -1.302 1.00 0.00 C ATOM 0 H ILE A 101 18.560 19.509 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 101 18.724 21.019 -5.463 1.00 0.00 H new ATOM 0 HB ILE A 101 19.444 22.883 -4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 101 19.029 20.886 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.571 21.544 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.289 23.201 -2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.021 22.527 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.928 21.469 -3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.682 22.801 -0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 101 19.771 23.854 -1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.205 23.185 -1.224 1.00 0.00 H new ATOM 1609 N GLY A 102 21.068 19.423 -4.003 1.00 11.15 N ATOM 1610 CA GLY A 102 22.506 19.042 -4.111 1.00 12.21 C ATOM 1611 C GLY A 102 23.372 19.977 -3.269 1.00 14.73 C ATOM 1612 O GLY A 102 24.412 20.432 -3.702 1.00 18.54 O ATOM 0 H GLY A 102 20.496 18.798 -3.435 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.642 18.013 -3.778 1.00 12.21 H new ATOM 0 HA3 GLY A 102 22.822 19.084 -5.153 1.00 12.21 H new ATOM 1616 N ALA A 103 22.960 20.265 -2.070 1.00 10.84 N ATOM 1617 CA ALA A 103 23.774 21.166 -1.203 1.00 9.88 C ATOM 1618 C ALA A 103 24.824 20.342 -0.454 1.00 9.21 C ATOM 1619 O ALA A 103 25.735 20.877 0.148 1.00 7.47 O ATOM 1620 CB ALA A 103 22.862 21.870 -0.196 1.00 4.30 C ATOM 0 H ALA A 103 22.097 19.918 -1.650 1.00 10.84 H new ATOM 0 HA ALA A 103 24.272 21.912 -1.822 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.458 22.528 0.437 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.116 22.458 -0.730 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.362 21.126 0.424 1.00 4.30 H new ATOM 1626 N LEU A 104 24.701 19.042 -0.484 1.00 0.00 N ATOM 1627 CA LEU A 104 25.685 18.173 0.225 1.00 0.00 C ATOM 1628 C LEU A 104 26.752 17.682 -0.754 1.00 0.00 C ATOM 1629 O LEU A 104 26.747 18.022 -1.921 1.00 0.00 O ATOM 1630 CB LEU A 104 24.954 16.972 0.850 1.00 0.00 C ATOM 1631 CG LEU A 104 24.654 15.900 -0.210 1.00 0.00 C ATOM 1632 CD1 LEU A 104 23.830 14.777 0.423 1.00 0.00 C ATOM 1633 CD2 LEU A 104 23.857 16.513 -1.364 1.00 0.00 C ATOM 0 H LEU A 104 23.958 18.542 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 104 26.170 18.750 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.565 16.543 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.023 17.306 1.309 1.00 0.00 H new ATOM 0 HG LEU A 104 25.595 15.504 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.616 14.016 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 104 24.393 14.331 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 104 22.893 15.184 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 104 23.649 15.746 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 104 22.917 16.914 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 104 24.436 17.316 -1.820 1.00 0.00 H new ATOM 1645 N GLN A 105 27.664 16.877 -0.283 1.00 0.00 N ATOM 1646 CA GLN A 105 28.736 16.351 -1.174 1.00 0.00 C ATOM 1647 C GLN A 105 28.192 15.170 -1.981 1.00 0.00 C ATOM 1648 O GLN A 105 27.540 14.325 -1.390 1.00 0.00 O ATOM 1649 CB GLN A 105 29.921 15.889 -0.320 1.00 0.00 C ATOM 1650 CG GLN A 105 30.759 17.100 0.100 1.00 0.00 C ATOM 1651 CD GLN A 105 31.699 17.495 -1.041 1.00 0.00 C ATOM 1652 OE1 GLN A 105 31.275 18.073 -2.021 1.00 0.00 O ATOM 1653 NE2 GLN A 105 32.968 17.204 -0.953 1.00 0.00 N ATOM 1654 OXT GLN A 105 28.438 15.130 -3.175 1.00 0.00 O ATOM 0 H GLN A 105 27.713 16.560 0.685 1.00 0.00 H new ATOM 0 HA GLN A 105 29.064 17.134 -1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.561 15.360 0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.536 15.187 -0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.107 17.936 0.353 1.00 0.00 H new ATOM 0 HG3 GLN A 105 31.336 16.863 0.994 1.00 0.00 H new ATOM 0 HE21 GLN A 105 33.324 16.718 -0.130 1.00 0.00 H new ATOM 0 HE22 GLN A 105 33.604 17.462 -1.708 1.00 0.00 H new