USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 975 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 103 MET CE :methyl -147:sc= -0.908 (180deg=-3.76!) USER MOD Set 1.2: A 107 THR OG1 : rot 49:sc= 0.504 USER MOD Set 2.1: A 32 ASN : amide:sc= -0.253 X(o=-0.26,f=-0.23) USER MOD Set 2.2: A 82 LYS NZ :NH3+ 154:sc=-0.00424 (180deg=-0.0563) USER MOD Set 2.3: A 97 ASN : amide:sc=-0.00428 X(o=-0.26,f=-0.22) USER MOD Set 3.1: A 43 MET CE :methyl -153:sc= -2.48 (180deg=-3.89!) USER MOD Set 3.2: A 106 THR OG1 : rot 160:sc= -0.722 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.16) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 0.235 (180deg=-0.0695) USER MOD Single : A 23 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.0654 (180deg=-0.369) USER MOD Single : A 26 HIS : no HD1:sc= -0.028 X(o=-0.028,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 142:sc= 0.213 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= -0.0916 (180deg=-0.484) USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= -0.506 (180deg=-0.599) USER MOD Single : A 42 THR OG1 : rot -63:sc= 0.907 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.0205 F(o=-1,f=-0.021) USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0044) USER MOD Single : A 57 GLN : amide:sc= -0.0285 X(o=-0.028,f=-0.15) USER MOD Single : A 60 SER OG : rot 180:sc= 0.00155 USER MOD Single : A 61 GLN : amide:sc= -0.771 X(o=-0.77,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= -0.0858 (180deg=-0.528) USER MOD Single : A 73 SER OG : rot -93:sc= 1.26 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.633 X(o=-0.63,f=-0.53) USER MOD Single : A 95 ASN : amide:sc= 0.0693 K(o=0.069,f=-1.1) USER MOD Single : A 96 THR OG1 : rot -150:sc= 0.00185 USER MOD Single : A 100 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.696) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.16 F(o=-0.78,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 1.280 0.121 -0.085 1.00 2.14 N ATOM 2 CA SER A 3 1.891 0.226 -1.404 1.00 62.15 C ATOM 3 C SER A 3 1.150 -0.642 -2.417 1.00 31.33 C ATOM 4 O SER A 3 1.122 -1.866 -2.298 1.00 63.42 O ATOM 5 CB SER A 3 3.363 -0.187 -1.343 1.00 0.24 C ATOM 6 OG SER A 3 4.088 0.342 -2.439 1.00 54.35 O ATOM 0 HA SER A 3 1.826 1.266 -1.725 1.00 62.15 H new ATOM 0 HB2 SER A 3 3.803 0.163 -0.409 1.00 0.24 H new ATOM 0 HB3 SER A 3 3.439 -1.274 -1.344 1.00 0.24 H new ATOM 0 HG SER A 3 5.026 0.065 -2.375 1.00 54.35 H new ATOM 12 N ASN A 4 0.550 0.002 -3.412 1.00 50.14 N ATOM 13 CA ASN A 4 -0.193 -0.710 -4.446 1.00 23.00 C ATOM 14 C ASN A 4 0.739 -1.581 -5.283 1.00 42.00 C ATOM 15 O ASN A 4 0.328 -2.608 -5.822 1.00 21.12 O ATOM 16 CB ASN A 4 -0.930 0.282 -5.348 1.00 62.54 C ATOM 17 CG ASN A 4 0.020 1.176 -6.121 1.00 50.23 C ATOM 18 OD1 ASN A 4 0.430 2.231 -5.636 1.00 54.15 O ATOM 19 ND2 ASN A 4 0.374 0.758 -7.331 1.00 24.23 N ATOM 0 H ASN A 4 0.563 1.016 -3.525 1.00 50.14 H new ATOM 0 HA ASN A 4 -0.922 -1.356 -3.956 1.00 23.00 H new ATOM 0 HB2 ASN A 4 -1.560 -0.267 -6.049 1.00 62.54 H new ATOM 0 HB3 ASN A 4 -1.592 0.899 -4.740 1.00 62.54 H new ATOM 0 HD21 ASN A 4 1.010 1.318 -7.898 1.00 24.23 H new ATOM 0 HD22 ASN A 4 0.010 -0.123 -7.693 1.00 24.23 H new ATOM 26 N ALA A 5 1.997 -1.163 -5.387 1.00 35.03 N ATOM 27 CA ALA A 5 2.988 -1.906 -6.155 1.00 54.23 C ATOM 28 C ALA A 5 3.857 -2.766 -5.244 1.00 42.54 C ATOM 29 O ALA A 5 4.905 -3.262 -5.657 1.00 54.41 O ATOM 30 CB ALA A 5 3.852 -0.950 -6.965 1.00 75.53 C ATOM 0 H ALA A 5 2.353 -0.314 -4.949 1.00 35.03 H new ATOM 0 HA ALA A 5 2.459 -2.569 -6.839 1.00 54.23 H new ATOM 0 HB1 ALA A 5 4.588 -1.518 -7.534 1.00 75.53 H new ATOM 0 HB2 ALA A 5 3.223 -0.383 -7.651 1.00 75.53 H new ATOM 0 HB3 ALA A 5 4.365 -0.264 -6.291 1.00 75.53 H new ATOM 36 N GLY A 6 3.416 -2.937 -4.002 1.00 31.41 N ATOM 37 CA GLY A 6 4.167 -3.737 -3.052 1.00 31.01 C ATOM 38 C GLY A 6 4.229 -5.199 -3.446 1.00 64.24 C ATOM 39 O GLY A 6 5.150 -5.916 -3.056 1.00 5.44 O ATOM 0 H GLY A 6 2.552 -2.536 -3.636 1.00 31.41 H new ATOM 0 HA2 GLY A 6 5.180 -3.343 -2.970 1.00 31.01 H new ATOM 0 HA3 GLY A 6 3.710 -3.649 -2.066 1.00 31.01 H new ATOM 43 N ALA A 7 3.246 -5.644 -4.222 1.00 11.21 N ATOM 44 CA ALA A 7 3.193 -7.030 -4.669 1.00 62.05 C ATOM 45 C ALA A 7 4.348 -7.346 -5.613 1.00 65.42 C ATOM 46 O ALA A 7 4.959 -8.412 -5.526 1.00 61.22 O ATOM 47 CB ALA A 7 1.862 -7.315 -5.348 1.00 34.30 C ATOM 0 H ALA A 7 2.475 -5.064 -4.554 1.00 11.21 H new ATOM 0 HA ALA A 7 3.287 -7.672 -3.793 1.00 62.05 H new ATOM 0 HB1 ALA A 7 1.836 -8.354 -5.677 1.00 34.30 H new ATOM 0 HB2 ALA A 7 1.049 -7.137 -4.644 1.00 34.30 H new ATOM 0 HB3 ALA A 7 1.746 -6.659 -6.210 1.00 34.30 H new ATOM 53 N ILE A 8 4.642 -6.415 -6.514 1.00 63.12 N ATOM 54 CA ILE A 8 5.725 -6.596 -7.474 1.00 13.44 C ATOM 55 C ILE A 8 7.085 -6.441 -6.803 1.00 4.42 C ATOM 56 O ILE A 8 8.038 -7.144 -7.139 1.00 11.35 O ATOM 57 CB ILE A 8 5.620 -5.590 -8.636 1.00 24.42 C ATOM 58 CG1 ILE A 8 4.279 -5.746 -9.354 1.00 54.14 C ATOM 59 CG2 ILE A 8 6.774 -5.784 -9.609 1.00 10.14 C ATOM 60 CD1 ILE A 8 3.196 -4.837 -8.816 1.00 51.21 C ATOM 0 H ILE A 8 4.146 -5.528 -6.600 1.00 63.12 H new ATOM 0 HA ILE A 8 5.631 -7.607 -7.870 1.00 13.44 H new ATOM 0 HB ILE A 8 5.678 -4.580 -8.230 1.00 24.42 H new ATOM 0 HG12 ILE A 8 4.419 -5.542 -10.416 1.00 54.14 H new ATOM 0 HG13 ILE A 8 3.949 -6.781 -9.269 1.00 54.14 H new ATOM 0 HG21 ILE A 8 6.687 -5.066 -10.425 1.00 10.14 H new ATOM 0 HG22 ILE A 8 7.719 -5.628 -9.088 1.00 10.14 H new ATOM 0 HG23 ILE A 8 6.744 -6.796 -10.012 1.00 10.14 H new ATOM 0 HD11 ILE A 8 2.273 -5.002 -9.372 1.00 51.21 H new ATOM 0 HD12 ILE A 8 3.028 -5.056 -7.761 1.00 51.21 H new ATOM 0 HD13 ILE A 8 3.505 -3.798 -8.926 1.00 51.21 H new ATOM 72 N ALA A 9 7.168 -5.516 -5.852 1.00 22.24 N ATOM 73 CA ALA A 9 8.411 -5.271 -5.130 1.00 70.44 C ATOM 74 C ALA A 9 8.751 -6.439 -4.210 1.00 13.30 C ATOM 75 O ALA A 9 9.922 -6.726 -3.960 1.00 74.15 O ATOM 76 CB ALA A 9 8.313 -3.979 -4.333 1.00 33.30 C ATOM 0 H ALA A 9 6.389 -4.924 -5.564 1.00 22.24 H new ATOM 0 HA ALA A 9 9.214 -5.173 -5.861 1.00 70.44 H new ATOM 0 HB1 ALA A 9 9.248 -3.809 -3.799 1.00 33.30 H new ATOM 0 HB2 ALA A 9 8.126 -3.146 -5.011 1.00 33.30 H new ATOM 0 HB3 ALA A 9 7.495 -4.055 -3.617 1.00 33.30 H new ATOM 82 N LYS A 10 7.720 -7.109 -3.707 1.00 15.33 N ATOM 83 CA LYS A 10 7.908 -8.246 -2.814 1.00 13.13 C ATOM 84 C LYS A 10 8.523 -9.427 -3.558 1.00 52.54 C ATOM 85 O LYS A 10 9.006 -10.378 -2.943 1.00 43.13 O ATOM 86 CB LYS A 10 6.571 -8.661 -2.194 1.00 3.51 C ATOM 87 CG LYS A 10 6.716 -9.593 -1.003 1.00 42.53 C ATOM 88 CD LYS A 10 5.450 -9.626 -0.164 1.00 72.33 C ATOM 89 CE LYS A 10 5.379 -8.441 0.786 1.00 51.42 C ATOM 90 NZ LYS A 10 4.011 -8.261 1.347 1.00 4.41 N ATOM 0 H LYS A 10 6.745 -6.884 -3.903 1.00 15.33 H new ATOM 0 HA LYS A 10 8.591 -7.943 -2.021 1.00 13.13 H new ATOM 0 HB2 LYS A 10 6.032 -7.767 -1.881 1.00 3.51 H new ATOM 0 HB3 LYS A 10 5.963 -9.150 -2.955 1.00 3.51 H new ATOM 0 HG2 LYS A 10 6.948 -10.599 -1.353 1.00 42.53 H new ATOM 0 HG3 LYS A 10 7.554 -9.269 -0.386 1.00 42.53 H new ATOM 0 HD2 LYS A 10 4.578 -9.621 -0.819 1.00 72.33 H new ATOM 0 HD3 LYS A 10 5.415 -10.554 0.407 1.00 72.33 H new ATOM 0 HE2 LYS A 10 6.089 -8.585 1.600 1.00 51.42 H new ATOM 0 HE3 LYS A 10 5.678 -7.535 0.259 1.00 51.42 H new ATOM 0 HZ1 LYS A 10 4.004 -7.443 1.990 1.00 4.41 H new ATOM 0 HZ2 LYS A 10 3.337 -8.098 0.572 1.00 4.41 H new ATOM 0 HZ3 LYS A 10 3.736 -9.116 1.872 1.00 4.41 H new ATOM 104 N LEU A 11 8.503 -9.359 -4.885 1.00 13.41 N ATOM 105 CA LEU A 11 9.060 -10.422 -5.714 1.00 1.30 C ATOM 106 C LEU A 11 10.576 -10.292 -5.818 1.00 64.53 C ATOM 107 O LEU A 11 11.276 -11.271 -6.084 1.00 14.25 O ATOM 108 CB LEU A 11 8.437 -10.386 -7.110 1.00 74.44 C ATOM 109 CG LEU A 11 6.949 -10.039 -7.173 1.00 33.45 C ATOM 110 CD1 LEU A 11 6.466 -10.016 -8.614 1.00 50.55 C ATOM 111 CD2 LEU A 11 6.135 -11.030 -6.352 1.00 44.12 C ATOM 0 H LEU A 11 8.107 -8.579 -5.410 1.00 13.41 H new ATOM 0 HA LEU A 11 8.827 -11.377 -5.243 1.00 1.30 H new ATOM 0 HB2 LEU A 11 8.984 -9.660 -7.712 1.00 74.44 H new ATOM 0 HB3 LEU A 11 8.582 -11.361 -7.576 1.00 74.44 H new ATOM 0 HG LEU A 11 6.810 -9.045 -6.749 1.00 33.45 H new ATOM 0 HD11 LEU A 11 5.405 -9.767 -8.638 1.00 50.55 H new ATOM 0 HD12 LEU A 11 7.027 -9.268 -9.174 1.00 50.55 H new ATOM 0 HD13 LEU A 11 6.619 -10.997 -9.065 1.00 50.55 H new ATOM 0 HD21 LEU A 11 5.078 -10.768 -6.408 1.00 44.12 H new ATOM 0 HD22 LEU A 11 6.281 -12.036 -6.746 1.00 44.12 H new ATOM 0 HD23 LEU A 11 6.462 -10.997 -5.313 1.00 44.12 H new ATOM 123 N ILE A 12 11.078 -9.080 -5.606 1.00 33.52 N ATOM 124 CA ILE A 12 12.511 -8.825 -5.673 1.00 1.33 C ATOM 125 C ILE A 12 13.284 -9.786 -4.776 1.00 35.30 C ATOM 126 O ILE A 12 14.163 -10.522 -5.224 1.00 43.45 O ATOM 127 CB ILE A 12 12.845 -7.378 -5.263 1.00 34.23 C ATOM 128 CG1 ILE A 12 12.771 -6.451 -6.477 1.00 42.24 C ATOM 129 CG2 ILE A 12 14.223 -7.314 -4.623 1.00 4.53 C ATOM 130 CD1 ILE A 12 13.839 -6.726 -7.513 1.00 51.11 C ATOM 0 H ILE A 12 10.513 -8.259 -5.386 1.00 33.52 H new ATOM 0 HA ILE A 12 12.810 -8.979 -6.710 1.00 1.33 H new ATOM 0 HB ILE A 12 12.110 -7.044 -4.530 1.00 34.23 H new ATOM 0 HG12 ILE A 12 11.790 -6.552 -6.942 1.00 42.24 H new ATOM 0 HG13 ILE A 12 12.859 -5.418 -6.141 1.00 42.24 H new ATOM 0 HG21 ILE A 12 14.445 -6.285 -4.339 1.00 4.53 H new ATOM 0 HG22 ILE A 12 14.242 -7.948 -3.736 1.00 4.53 H new ATOM 0 HG23 ILE A 12 14.971 -7.663 -5.335 1.00 4.53 H new ATOM 0 HD11 ILE A 12 13.726 -6.032 -8.345 1.00 51.11 H new ATOM 0 HD12 ILE A 12 14.824 -6.597 -7.064 1.00 51.11 H new ATOM 0 HD13 ILE A 12 13.738 -7.748 -7.877 1.00 51.11 H new ATOM 142 N PRO A 13 12.947 -9.784 -3.478 1.00 2.25 N ATOM 143 CA PRO A 13 13.595 -10.652 -2.490 1.00 65.23 C ATOM 144 C PRO A 13 13.232 -12.121 -2.682 1.00 40.44 C ATOM 145 O PRO A 13 13.990 -13.013 -2.303 1.00 63.54 O ATOM 146 CB PRO A 13 13.053 -10.137 -1.155 1.00 20.43 C ATOM 147 CG PRO A 13 11.745 -9.509 -1.494 1.00 24.33 C ATOM 148 CD PRO A 13 11.908 -8.934 -2.873 1.00 51.53 C ATOM 0 HA PRO A 13 14.682 -10.616 -2.566 1.00 65.23 H new ATOM 0 HB2 PRO A 13 12.928 -10.949 -0.439 1.00 20.43 H new ATOM 0 HB3 PRO A 13 13.734 -9.415 -0.703 1.00 20.43 H new ATOM 0 HG2 PRO A 13 10.941 -10.245 -1.470 1.00 24.33 H new ATOM 0 HG3 PRO A 13 11.487 -8.732 -0.775 1.00 24.33 H new ATOM 0 HD2 PRO A 13 10.977 -8.975 -3.438 1.00 51.53 H new ATOM 0 HD3 PRO A 13 12.214 -7.888 -2.839 1.00 51.53 H new ATOM 156 N LYS A 14 12.068 -12.365 -3.274 1.00 15.51 N ATOM 157 CA LYS A 14 11.603 -13.725 -3.519 1.00 3.15 C ATOM 158 C LYS A 14 12.607 -14.498 -4.368 1.00 23.04 C ATOM 159 O LYS A 14 12.821 -15.693 -4.160 1.00 23.21 O ATOM 160 CB LYS A 14 10.241 -13.703 -4.215 1.00 35.24 C ATOM 161 CG LYS A 14 9.066 -13.805 -3.256 1.00 44.44 C ATOM 162 CD LYS A 14 8.789 -15.246 -2.865 1.00 21.32 C ATOM 163 CE LYS A 14 7.733 -15.874 -3.761 1.00 54.02 C ATOM 164 NZ LYS A 14 8.340 -16.580 -4.923 1.00 53.15 N ATOM 0 H LYS A 14 11.428 -11.637 -3.593 1.00 15.51 H new ATOM 0 HA LYS A 14 11.504 -14.227 -2.557 1.00 3.15 H new ATOM 0 HB2 LYS A 14 10.151 -12.781 -4.790 1.00 35.24 H new ATOM 0 HB3 LYS A 14 10.192 -14.528 -4.926 1.00 35.24 H new ATOM 0 HG2 LYS A 14 9.273 -13.218 -2.361 1.00 44.44 H new ATOM 0 HG3 LYS A 14 8.178 -13.376 -3.720 1.00 44.44 H new ATOM 0 HD2 LYS A 14 9.711 -15.824 -2.927 1.00 21.32 H new ATOM 0 HD3 LYS A 14 8.457 -15.285 -1.827 1.00 21.32 H new ATOM 0 HE2 LYS A 14 7.136 -16.577 -3.181 1.00 54.02 H new ATOM 0 HE3 LYS A 14 7.055 -15.100 -4.120 1.00 54.02 H new ATOM 0 HZ1 LYS A 14 7.635 -17.212 -5.352 1.00 53.15 H new ATOM 0 HZ2 LYS A 14 8.654 -15.882 -5.628 1.00 53.15 H new ATOM 0 HZ3 LYS A 14 9.156 -17.139 -4.602 1.00 53.15 H new ATOM 178 N LEU A 15 13.222 -13.809 -5.323 1.00 34.20 N ATOM 179 CA LEU A 15 14.205 -14.431 -6.203 1.00 21.02 C ATOM 180 C LEU A 15 15.598 -14.384 -5.582 1.00 74.22 C ATOM 181 O LEU A 15 16.423 -15.266 -5.817 1.00 41.42 O ATOM 182 CB LEU A 15 14.217 -13.731 -7.563 1.00 14.12 C ATOM 183 CG LEU A 15 13.006 -13.989 -8.461 1.00 1.32 C ATOM 184 CD1 LEU A 15 12.679 -12.752 -9.283 1.00 72.25 C ATOM 185 CD2 LEU A 15 13.260 -15.184 -9.368 1.00 41.53 C ATOM 0 H LEU A 15 13.057 -12.819 -5.508 1.00 34.20 H new ATOM 0 HA LEU A 15 13.923 -15.475 -6.341 1.00 21.02 H new ATOM 0 HB2 LEU A 15 14.298 -12.657 -7.396 1.00 14.12 H new ATOM 0 HB3 LEU A 15 15.114 -14.039 -8.100 1.00 14.12 H new ATOM 0 HG LEU A 15 12.149 -14.216 -7.827 1.00 1.32 H new ATOM 0 HD11 LEU A 15 11.815 -12.954 -9.916 1.00 72.25 H new ATOM 0 HD12 LEU A 15 12.453 -11.921 -8.615 1.00 72.25 H new ATOM 0 HD13 LEU A 15 13.534 -12.494 -9.908 1.00 72.25 H new ATOM 0 HD21 LEU A 15 12.388 -15.353 -10.000 1.00 41.53 H new ATOM 0 HD22 LEU A 15 14.130 -14.987 -9.995 1.00 41.53 H new ATOM 0 HD23 LEU A 15 13.445 -16.070 -8.760 1.00 41.53 H new ATOM 197 N GLY A 16 15.851 -13.350 -4.786 1.00 51.32 N ATOM 198 CA GLY A 16 17.144 -13.208 -4.142 1.00 73.31 C ATOM 199 C GLY A 16 17.529 -14.435 -3.340 1.00 20.41 C ATOM 200 O GLY A 16 18.711 -14.747 -3.200 1.00 43.42 O ATOM 0 H GLY A 16 15.184 -12.608 -4.575 1.00 51.32 H new ATOM 0 HA2 GLY A 16 17.905 -13.019 -4.899 1.00 73.31 H new ATOM 0 HA3 GLY A 16 17.126 -12.339 -3.485 1.00 73.31 H new ATOM 204 N GLU A 17 16.529 -15.133 -2.811 1.00 13.35 N ATOM 205 CA GLU A 17 16.770 -16.331 -2.016 1.00 24.22 C ATOM 206 C GLU A 17 17.591 -17.349 -2.802 1.00 70.35 C ATOM 207 O GLU A 17 18.388 -18.095 -2.232 1.00 63.11 O ATOM 208 CB GLU A 17 15.444 -16.957 -1.579 1.00 40.32 C ATOM 209 CG GLU A 17 15.529 -17.706 -0.260 1.00 44.01 C ATOM 210 CD GLU A 17 14.304 -18.558 0.007 1.00 13.34 C ATOM 211 OE1 GLU A 17 13.919 -19.342 -0.885 1.00 51.41 O ATOM 212 OE2 GLU A 17 13.730 -18.440 1.110 1.00 34.13 O ATOM 0 H GLU A 17 15.544 -14.889 -2.919 1.00 13.35 H new ATOM 0 HA GLU A 17 17.335 -16.040 -1.130 1.00 24.22 H new ATOM 0 HB2 GLU A 17 14.692 -16.172 -1.494 1.00 40.32 H new ATOM 0 HB3 GLU A 17 15.103 -17.642 -2.355 1.00 40.32 H new ATOM 0 HG2 GLU A 17 16.415 -18.341 -0.264 1.00 44.01 H new ATOM 0 HG3 GLU A 17 15.653 -16.990 0.553 1.00 44.01 H new ATOM 219 N LEU A 18 17.389 -17.375 -4.115 1.00 45.13 N ATOM 220 CA LEU A 18 18.110 -18.302 -4.982 1.00 14.51 C ATOM 221 C LEU A 18 19.407 -17.678 -5.487 1.00 31.20 C ATOM 222 O LEU A 18 20.263 -18.366 -6.044 1.00 25.44 O ATOM 223 CB LEU A 18 17.232 -18.710 -6.166 1.00 52.01 C ATOM 224 CG LEU A 18 16.301 -19.901 -5.933 1.00 2.44 C ATOM 225 CD1 LEU A 18 17.103 -21.141 -5.571 1.00 35.44 C ATOM 226 CD2 LEU A 18 15.289 -19.581 -4.843 1.00 12.54 C ATOM 0 H LEU A 18 16.732 -16.765 -4.603 1.00 45.13 H new ATOM 0 HA LEU A 18 18.358 -19.189 -4.399 1.00 14.51 H new ATOM 0 HB2 LEU A 18 16.626 -17.852 -6.456 1.00 52.01 H new ATOM 0 HB3 LEU A 18 17.881 -18.941 -7.011 1.00 52.01 H new ATOM 0 HG LEU A 18 15.758 -20.101 -6.857 1.00 2.44 H new ATOM 0 HD11 LEU A 18 16.425 -21.979 -5.409 1.00 35.44 H new ATOM 0 HD12 LEU A 18 17.788 -21.381 -6.384 1.00 35.44 H new ATOM 0 HD13 LEU A 18 17.672 -20.953 -4.660 1.00 35.44 H new ATOM 0 HD21 LEU A 18 14.635 -20.439 -4.690 1.00 12.54 H new ATOM 0 HD22 LEU A 18 15.813 -19.355 -3.915 1.00 12.54 H new ATOM 0 HD23 LEU A 18 14.693 -18.719 -5.142 1.00 12.54 H new ATOM 238 N LEU A 19 19.546 -16.372 -5.288 1.00 24.34 N ATOM 239 CA LEU A 19 20.741 -15.655 -5.721 1.00 31.53 C ATOM 240 C LEU A 19 21.756 -15.554 -4.587 1.00 22.11 C ATOM 241 O LEU A 19 22.919 -15.216 -4.809 1.00 12.41 O ATOM 242 CB LEU A 19 20.369 -14.256 -6.214 1.00 61.23 C ATOM 243 CG LEU A 19 20.234 -14.093 -7.729 1.00 14.55 C ATOM 244 CD1 LEU A 19 21.597 -14.171 -8.398 1.00 32.10 C ATOM 245 CD2 LEU A 19 19.296 -15.148 -8.297 1.00 65.03 C ATOM 0 H LEU A 19 18.847 -15.788 -4.830 1.00 24.34 H new ATOM 0 HA LEU A 19 21.194 -16.214 -6.540 1.00 31.53 H new ATOM 0 HB2 LEU A 19 19.424 -13.969 -5.752 1.00 61.23 H new ATOM 0 HB3 LEU A 19 21.124 -13.555 -5.859 1.00 61.23 H new ATOM 0 HG LEU A 19 19.809 -13.110 -7.933 1.00 14.55 H new ATOM 0 HD11 LEU A 19 21.481 -14.053 -9.475 1.00 32.10 H new ATOM 0 HD12 LEU A 19 22.237 -13.377 -8.013 1.00 32.10 H new ATOM 0 HD13 LEU A 19 22.052 -15.139 -8.186 1.00 32.10 H new ATOM 0 HD21 LEU A 19 19.212 -15.017 -9.376 1.00 65.03 H new ATOM 0 HD22 LEU A 19 19.692 -16.141 -8.082 1.00 65.03 H new ATOM 0 HD23 LEU A 19 18.312 -15.043 -7.841 1.00 65.03 H new ATOM 257 N VAL A 20 21.309 -15.852 -3.371 1.00 4.32 N ATOM 258 CA VAL A 20 22.179 -15.797 -2.202 1.00 65.52 C ATOM 259 C VAL A 20 23.048 -17.047 -2.105 1.00 40.42 C ATOM 260 O VAL A 20 24.123 -17.023 -1.508 1.00 22.12 O ATOM 261 CB VAL A 20 21.366 -15.649 -0.903 1.00 34.31 C ATOM 262 CG1 VAL A 20 20.505 -14.396 -0.952 1.00 3.15 C ATOM 263 CG2 VAL A 20 20.510 -16.885 -0.667 1.00 53.41 C ATOM 0 H VAL A 20 20.350 -16.134 -3.170 1.00 4.32 H new ATOM 0 HA VAL A 20 22.817 -14.922 -2.324 1.00 65.52 H new ATOM 0 HB VAL A 20 22.061 -15.551 -0.069 1.00 34.31 H new ATOM 0 HG11 VAL A 20 19.938 -14.308 -0.026 1.00 3.15 H new ATOM 0 HG12 VAL A 20 21.143 -13.520 -1.071 1.00 3.15 H new ATOM 0 HG13 VAL A 20 19.816 -14.460 -1.794 1.00 3.15 H new ATOM 0 HG21 VAL A 20 19.942 -16.764 0.255 1.00 53.41 H new ATOM 0 HG22 VAL A 20 19.822 -17.016 -1.502 1.00 53.41 H new ATOM 0 HG23 VAL A 20 21.152 -17.762 -0.585 1.00 53.41 H new ATOM 273 N GLY A 21 22.574 -18.138 -2.698 1.00 72.22 N ATOM 274 CA GLY A 21 23.320 -19.383 -2.668 1.00 11.44 C ATOM 275 C GLY A 21 22.660 -20.433 -1.797 1.00 74.21 C ATOM 276 O GLY A 21 23.303 -21.395 -1.379 1.00 1.12 O ATOM 0 H GLY A 21 21.687 -18.182 -3.199 1.00 72.22 H new ATOM 0 HA2 GLY A 21 23.420 -19.768 -3.683 1.00 11.44 H new ATOM 0 HA3 GLY A 21 24.328 -19.191 -2.299 1.00 11.44 H new ATOM 280 N GLU A 22 21.372 -20.248 -1.523 1.00 20.34 N ATOM 281 CA GLU A 22 20.626 -21.188 -0.694 1.00 12.43 C ATOM 282 C GLU A 22 19.792 -22.131 -1.556 1.00 52.31 C ATOM 283 O GLU A 22 18.577 -21.968 -1.677 1.00 44.03 O ATOM 284 CB GLU A 22 19.719 -20.433 0.281 1.00 75.25 C ATOM 285 CG GLU A 22 20.455 -19.865 1.482 1.00 13.01 C ATOM 286 CD GLU A 22 20.831 -20.931 2.493 1.00 0.42 C ATOM 287 OE1 GLU A 22 20.300 -22.057 2.392 1.00 5.25 O ATOM 288 OE2 GLU A 22 21.655 -20.639 3.385 1.00 41.23 O ATOM 0 H GLU A 22 20.824 -19.457 -1.862 1.00 20.34 H new ATOM 0 HA GLU A 22 21.343 -21.782 -0.127 1.00 12.43 H new ATOM 0 HB2 GLU A 22 19.226 -19.619 -0.251 1.00 75.25 H new ATOM 0 HB3 GLU A 22 18.936 -21.106 0.630 1.00 75.25 H new ATOM 0 HG2 GLU A 22 21.358 -19.356 1.143 1.00 13.01 H new ATOM 0 HG3 GLU A 22 19.829 -19.115 1.966 1.00 13.01 H new ATOM 295 N TYR A 23 20.453 -23.116 -2.153 1.00 74.14 N ATOM 296 CA TYR A 23 19.774 -24.084 -3.007 1.00 51.11 C ATOM 297 C TYR A 23 20.701 -25.243 -3.360 1.00 72.21 C ATOM 298 O TYR A 23 21.919 -25.148 -3.210 1.00 41.04 O ATOM 299 CB TYR A 23 19.276 -23.407 -4.285 1.00 71.12 C ATOM 300 CG TYR A 23 20.368 -22.717 -5.070 1.00 45.20 C ATOM 301 CD1 TYR A 23 20.759 -21.420 -4.762 1.00 2.32 C ATOM 302 CD2 TYR A 23 21.011 -23.363 -6.119 1.00 52.45 C ATOM 303 CE1 TYR A 23 21.756 -20.785 -5.477 1.00 24.11 C ATOM 304 CE2 TYR A 23 22.010 -22.736 -6.839 1.00 61.30 C ATOM 305 CZ TYR A 23 22.379 -21.447 -6.514 1.00 71.52 C ATOM 306 OH TYR A 23 23.374 -20.819 -7.228 1.00 33.30 O ATOM 0 H TYR A 23 21.458 -23.266 -2.062 1.00 74.14 H new ATOM 0 HA TYR A 23 18.920 -24.480 -2.457 1.00 51.11 H new ATOM 0 HB2 TYR A 23 18.800 -24.154 -4.920 1.00 71.12 H new ATOM 0 HB3 TYR A 23 18.510 -22.676 -4.024 1.00 71.12 H new ATOM 0 HD1 TYR A 23 20.275 -20.899 -3.949 1.00 2.32 H new ATOM 0 HD2 TYR A 23 20.725 -24.372 -6.376 1.00 52.45 H new ATOM 0 HE1 TYR A 23 22.046 -19.776 -5.225 1.00 24.11 H new ATOM 0 HE2 TYR A 23 22.499 -23.252 -7.652 1.00 61.30 H new ATOM 0 HH TYR A 23 23.709 -21.423 -7.923 1.00 33.30 H new ATOM 316 N LYS A 24 20.114 -26.339 -3.831 1.00 3.42 N ATOM 317 CA LYS A 24 20.885 -27.518 -4.208 1.00 53.41 C ATOM 318 C LYS A 24 20.916 -27.685 -5.724 1.00 11.11 C ATOM 319 O LYS A 24 20.440 -28.688 -6.258 1.00 52.40 O ATOM 320 CB LYS A 24 20.291 -28.770 -3.558 1.00 41.43 C ATOM 321 CG LYS A 24 20.413 -28.785 -2.044 1.00 54.14 C ATOM 322 CD LYS A 24 20.585 -30.198 -1.513 1.00 43.01 C ATOM 323 CE LYS A 24 20.196 -30.293 -0.046 1.00 34.31 C ATOM 324 NZ LYS A 24 18.733 -30.095 0.154 1.00 63.04 N ATOM 0 H LYS A 24 19.107 -26.435 -3.961 1.00 3.42 H new ATOM 0 HA LYS A 24 21.907 -27.382 -3.854 1.00 53.41 H new ATOM 0 HB2 LYS A 24 19.238 -28.846 -3.830 1.00 41.43 H new ATOM 0 HB3 LYS A 24 20.789 -29.651 -3.963 1.00 41.43 H new ATOM 0 HG2 LYS A 24 21.264 -28.175 -1.740 1.00 54.14 H new ATOM 0 HG3 LYS A 24 19.524 -28.335 -1.602 1.00 54.14 H new ATOM 0 HD2 LYS A 24 19.973 -30.885 -2.098 1.00 43.01 H new ATOM 0 HD3 LYS A 24 21.622 -30.511 -1.637 1.00 43.01 H new ATOM 0 HE2 LYS A 24 20.487 -31.268 0.345 1.00 34.31 H new ATOM 0 HE3 LYS A 24 20.745 -29.544 0.525 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 18.443 -30.535 1.051 1.00 63.04 H new ATOM 0 HZ2 LYS A 24 18.521 -29.077 0.183 1.00 63.04 H new ATOM 0 HZ3 LYS A 24 18.213 -30.535 -0.632 1.00 63.04 H new ATOM 338 N LEU A 25 21.480 -26.698 -6.412 1.00 30.41 N ATOM 339 CA LEU A 25 21.575 -26.737 -7.867 1.00 71.21 C ATOM 340 C LEU A 25 22.953 -26.280 -8.335 1.00 53.03 C ATOM 341 O LEU A 25 23.769 -25.816 -7.538 1.00 55.21 O ATOM 342 CB LEU A 25 20.493 -25.855 -8.492 1.00 74.21 C ATOM 343 CG LEU A 25 19.072 -26.060 -7.964 1.00 42.12 C ATOM 344 CD1 LEU A 25 18.255 -24.787 -8.123 1.00 60.23 C ATOM 345 CD2 LEU A 25 18.399 -27.221 -8.681 1.00 21.31 C ATOM 0 H LEU A 25 21.878 -25.861 -5.986 1.00 30.41 H new ATOM 0 HA LEU A 25 21.426 -27.768 -8.189 1.00 71.21 H new ATOM 0 HB2 LEU A 25 20.769 -24.812 -8.338 1.00 74.21 H new ATOM 0 HB3 LEU A 25 20.488 -26.028 -9.568 1.00 74.21 H new ATOM 0 HG LEU A 25 19.130 -26.300 -6.902 1.00 42.12 H new ATOM 0 HD11 LEU A 25 17.247 -24.952 -7.742 1.00 60.23 H new ATOM 0 HD12 LEU A 25 18.727 -23.979 -7.563 1.00 60.23 H new ATOM 0 HD13 LEU A 25 18.205 -24.516 -9.178 1.00 60.23 H new ATOM 0 HD21 LEU A 25 17.389 -27.352 -8.293 1.00 21.31 H new ATOM 0 HD22 LEU A 25 18.352 -27.011 -9.750 1.00 21.31 H new ATOM 0 HD23 LEU A 25 18.973 -28.133 -8.515 1.00 21.31 H new ATOM 357 N HIS A 26 23.205 -26.412 -9.634 1.00 31.43 N ATOM 358 CA HIS A 26 24.483 -26.010 -10.209 1.00 64.01 C ATOM 359 C HIS A 26 24.479 -24.524 -10.557 1.00 24.45 C ATOM 360 O HIS A 26 23.475 -23.836 -10.374 1.00 41.13 O ATOM 361 CB HIS A 26 24.787 -26.837 -11.459 1.00 22.14 C ATOM 362 CG HIS A 26 25.408 -28.167 -11.160 1.00 73.22 C ATOM 363 ND1 HIS A 26 25.355 -28.760 -9.916 1.00 61.24 N ATOM 364 CD2 HIS A 26 26.096 -29.021 -11.954 1.00 32.13 C ATOM 365 CE1 HIS A 26 25.986 -29.920 -9.957 1.00 74.32 C ATOM 366 NE2 HIS A 26 26.444 -30.103 -11.182 1.00 50.45 N ATOM 0 H HIS A 26 22.541 -26.794 -10.307 1.00 31.43 H new ATOM 0 HA HIS A 26 25.260 -26.189 -9.466 1.00 64.01 H new ATOM 0 HB2 HIS A 26 23.863 -26.993 -12.015 1.00 22.14 H new ATOM 0 HB3 HIS A 26 25.456 -26.270 -12.106 1.00 22.14 H new ATOM 0 HD2 HIS A 26 26.328 -28.878 -12.999 1.00 32.13 H new ATOM 0 HE1 HIS A 26 26.107 -30.603 -9.129 1.00 74.32 H new ATOM 0 HE2 HIS A 26 26.971 -30.916 -11.503 1.00 50.45 H new ATOM 374 N LYS A 27 25.609 -24.036 -11.057 1.00 50.22 N ATOM 375 CA LYS A 27 25.737 -22.632 -11.431 1.00 33.21 C ATOM 376 C LYS A 27 24.921 -22.326 -12.683 1.00 33.13 C ATOM 377 O LYS A 27 24.666 -21.165 -13.001 1.00 33.33 O ATOM 378 CB LYS A 27 27.207 -22.278 -11.668 1.00 75.12 C ATOM 379 CG LYS A 27 27.514 -20.802 -11.485 1.00 53.12 C ATOM 380 CD LYS A 27 28.013 -20.506 -10.081 1.00 34.12 C ATOM 381 CE LYS A 27 29.418 -21.045 -9.864 1.00 4.33 C ATOM 382 NZ LYS A 27 30.457 -20.019 -10.159 1.00 60.32 N ATOM 0 H LYS A 27 26.450 -24.592 -11.213 1.00 50.22 H new ATOM 0 HA LYS A 27 25.352 -22.027 -10.611 1.00 33.21 H new ATOM 0 HB2 LYS A 27 27.826 -22.857 -10.983 1.00 75.12 H new ATOM 0 HB3 LYS A 27 27.485 -22.576 -12.679 1.00 75.12 H new ATOM 0 HG2 LYS A 27 28.265 -20.493 -12.212 1.00 53.12 H new ATOM 0 HG3 LYS A 27 26.617 -20.215 -11.685 1.00 53.12 H new ATOM 0 HD2 LYS A 27 28.005 -19.430 -9.910 1.00 34.12 H new ATOM 0 HD3 LYS A 27 27.335 -20.950 -9.352 1.00 34.12 H new ATOM 0 HE2 LYS A 27 29.523 -21.382 -8.833 1.00 4.33 H new ATOM 0 HE3 LYS A 27 29.576 -21.915 -10.501 1.00 4.33 H new ATOM 0 HZ1 LYS A 27 31.401 -20.425 -9.999 1.00 60.32 H new ATOM 0 HZ2 LYS A 27 30.374 -19.716 -11.150 1.00 60.32 H new ATOM 0 HZ3 LYS A 27 30.322 -19.199 -9.534 1.00 60.32 H new ATOM 396 N GLY A 28 24.512 -23.376 -13.389 1.00 43.12 N ATOM 397 CA GLY A 28 23.728 -23.198 -14.597 1.00 41.52 C ATOM 398 C GLY A 28 22.249 -23.029 -14.309 1.00 25.11 C ATOM 399 O GLY A 28 21.515 -22.452 -15.111 1.00 0.55 O ATOM 0 H GLY A 28 24.710 -24.347 -13.146 1.00 43.12 H new ATOM 0 HA2 GLY A 28 24.092 -22.324 -15.137 1.00 41.52 H new ATOM 0 HA3 GLY A 28 23.872 -24.059 -15.250 1.00 41.52 H new ATOM 403 N VAL A 29 21.810 -23.536 -13.161 1.00 62.23 N ATOM 404 CA VAL A 29 20.409 -23.440 -12.769 1.00 42.43 C ATOM 405 C VAL A 29 20.101 -22.076 -12.161 1.00 45.01 C ATOM 406 O VAL A 29 18.986 -21.568 -12.279 1.00 60.31 O ATOM 407 CB VAL A 29 20.033 -24.538 -11.757 1.00 53.21 C ATOM 408 CG1 VAL A 29 18.582 -24.391 -11.325 1.00 12.13 C ATOM 409 CG2 VAL A 29 20.284 -25.916 -12.349 1.00 62.41 C ATOM 0 H VAL A 29 22.405 -24.017 -12.486 1.00 62.23 H new ATOM 0 HA VAL A 29 19.817 -23.573 -13.674 1.00 42.43 H new ATOM 0 HB VAL A 29 20.663 -24.426 -10.875 1.00 53.21 H new ATOM 0 HG11 VAL A 29 18.334 -25.175 -10.610 1.00 12.13 H new ATOM 0 HG12 VAL A 29 18.438 -23.416 -10.859 1.00 12.13 H new ATOM 0 HG13 VAL A 29 17.933 -24.476 -12.196 1.00 12.13 H new ATOM 0 HG21 VAL A 29 20.013 -26.680 -11.620 1.00 62.41 H new ATOM 0 HG22 VAL A 29 19.680 -26.041 -13.248 1.00 62.41 H new ATOM 0 HG23 VAL A 29 21.339 -26.016 -12.604 1.00 62.41 H new ATOM 419 N LYS A 30 21.098 -21.486 -11.510 1.00 22.31 N ATOM 420 CA LYS A 30 20.936 -20.180 -10.884 1.00 4.55 C ATOM 421 C LYS A 30 20.800 -19.085 -11.937 1.00 14.44 C ATOM 422 O LYS A 30 20.140 -18.070 -11.710 1.00 44.31 O ATOM 423 CB LYS A 30 22.127 -19.878 -9.971 1.00 11.25 C ATOM 424 CG LYS A 30 23.465 -19.895 -10.690 1.00 13.23 C ATOM 425 CD LYS A 30 24.563 -19.281 -9.838 1.00 65.41 C ATOM 426 CE LYS A 30 24.702 -17.789 -10.097 1.00 70.13 C ATOM 427 NZ LYS A 30 25.575 -17.509 -11.271 1.00 2.45 N ATOM 0 H LYS A 30 22.027 -21.892 -11.402 1.00 22.31 H new ATOM 0 HA LYS A 30 20.024 -20.202 -10.287 1.00 4.55 H new ATOM 0 HB2 LYS A 30 21.983 -18.900 -9.512 1.00 11.25 H new ATOM 0 HB3 LYS A 30 22.149 -20.609 -9.163 1.00 11.25 H new ATOM 0 HG2 LYS A 30 23.730 -20.922 -10.943 1.00 13.23 H new ATOM 0 HG3 LYS A 30 23.382 -19.347 -11.629 1.00 13.23 H new ATOM 0 HD2 LYS A 30 24.344 -19.449 -8.784 1.00 65.41 H new ATOM 0 HD3 LYS A 30 25.510 -19.778 -10.050 1.00 65.41 H new ATOM 0 HE2 LYS A 30 23.716 -17.356 -10.266 1.00 70.13 H new ATOM 0 HE3 LYS A 30 25.116 -17.304 -9.213 1.00 70.13 H new ATOM 0 HZ1 LYS A 30 25.191 -16.703 -11.805 1.00 2.45 H new ATOM 0 HZ2 LYS A 30 26.535 -17.281 -10.943 1.00 2.45 H new ATOM 0 HZ3 LYS A 30 25.609 -18.347 -11.886 1.00 2.45 H new ATOM 441 N LYS A 31 21.425 -19.297 -13.089 1.00 62.24 N ATOM 442 CA LYS A 31 21.371 -18.330 -14.179 1.00 64.34 C ATOM 443 C LYS A 31 19.927 -17.994 -14.538 1.00 64.40 C ATOM 444 O LYS A 31 19.632 -16.889 -14.990 1.00 75.33 O ATOM 445 CB LYS A 31 22.100 -18.877 -15.409 1.00 52.55 C ATOM 446 CG LYS A 31 21.228 -19.751 -16.294 1.00 22.21 C ATOM 447 CD LYS A 31 22.064 -20.587 -17.249 1.00 50.30 C ATOM 448 CE LYS A 31 22.887 -19.711 -18.181 1.00 60.14 C ATOM 449 NZ LYS A 31 24.347 -19.837 -17.916 1.00 71.30 N ATOM 0 H LYS A 31 21.976 -20.131 -13.293 1.00 62.24 H new ATOM 0 HA LYS A 31 21.865 -17.417 -13.847 1.00 64.34 H new ATOM 0 HB2 LYS A 31 22.479 -18.042 -15.998 1.00 52.55 H new ATOM 0 HB3 LYS A 31 22.965 -19.454 -15.082 1.00 52.55 H new ATOM 0 HG2 LYS A 31 20.619 -20.407 -15.672 1.00 22.21 H new ATOM 0 HG3 LYS A 31 20.542 -19.124 -16.863 1.00 22.21 H new ATOM 0 HD2 LYS A 31 22.727 -21.238 -16.679 1.00 50.30 H new ATOM 0 HD3 LYS A 31 21.411 -21.232 -17.836 1.00 50.30 H new ATOM 0 HE2 LYS A 31 22.681 -19.987 -19.215 1.00 60.14 H new ATOM 0 HE3 LYS A 31 22.585 -18.670 -18.062 1.00 60.14 H new ATOM 0 HZ1 LYS A 31 24.873 -19.225 -18.572 1.00 71.30 H new ATOM 0 HZ2 LYS A 31 24.548 -19.550 -16.937 1.00 71.30 H new ATOM 0 HZ3 LYS A 31 24.641 -20.825 -18.054 1.00 71.30 H new ATOM 463 N ASN A 32 19.032 -18.955 -14.332 1.00 24.04 N ATOM 464 CA ASN A 32 17.619 -18.760 -14.633 1.00 33.04 C ATOM 465 C ASN A 32 16.973 -17.816 -13.623 1.00 33.43 C ATOM 466 O ASN A 32 16.117 -17.004 -13.976 1.00 65.02 O ATOM 467 CB ASN A 32 16.886 -20.103 -14.633 1.00 61.25 C ATOM 468 CG ASN A 32 15.423 -19.964 -15.007 1.00 41.44 C ATOM 469 OD1 ASN A 32 15.065 -20.002 -16.185 1.00 24.43 O ATOM 470 ND2 ASN A 32 14.569 -19.800 -14.004 1.00 1.43 N ATOM 0 H ASN A 32 19.260 -19.876 -13.958 1.00 24.04 H new ATOM 0 HA ASN A 32 17.543 -18.312 -15.624 1.00 33.04 H new ATOM 0 HB2 ASN A 32 17.374 -20.780 -15.334 1.00 61.25 H new ATOM 0 HB3 ASN A 32 16.964 -20.556 -13.645 1.00 61.25 H new ATOM 0 HD21 ASN A 32 13.572 -19.699 -14.194 1.00 1.43 H new ATOM 0 HD22 ASN A 32 14.910 -19.775 -13.043 1.00 1.43 H new ATOM 477 N ILE A 33 17.388 -17.930 -12.366 1.00 0.43 N ATOM 478 CA ILE A 33 16.851 -17.086 -11.305 1.00 43.34 C ATOM 479 C ILE A 33 17.391 -15.663 -11.408 1.00 63.34 C ATOM 480 O ILE A 33 16.627 -14.699 -11.420 1.00 5.34 O ATOM 481 CB ILE A 33 17.186 -17.650 -9.912 1.00 65.43 C ATOM 482 CG1 ILE A 33 16.844 -19.140 -9.846 1.00 32.20 C ATOM 483 CG2 ILE A 33 16.438 -16.881 -8.835 1.00 12.44 C ATOM 484 CD1 ILE A 33 15.395 -19.441 -10.159 1.00 32.45 C ATOM 0 H ILE A 33 18.094 -18.598 -12.057 1.00 0.43 H new ATOM 0 HA ILE A 33 15.768 -17.072 -11.431 1.00 43.34 H new ATOM 0 HB ILE A 33 18.255 -17.534 -9.737 1.00 65.43 H new ATOM 0 HG12 ILE A 33 17.479 -19.682 -10.547 1.00 32.20 H new ATOM 0 HG13 ILE A 33 17.078 -19.514 -8.849 1.00 32.20 H new ATOM 0 HG21 ILE A 33 16.686 -17.292 -7.856 1.00 12.44 H new ATOM 0 HG22 ILE A 33 16.727 -15.831 -8.871 1.00 12.44 H new ATOM 0 HG23 ILE A 33 15.365 -16.968 -9.004 1.00 12.44 H new ATOM 0 HD11 ILE A 33 15.224 -20.516 -10.093 1.00 32.45 H new ATOM 0 HD12 ILE A 33 14.754 -18.927 -9.443 1.00 32.45 H new ATOM 0 HD13 ILE A 33 15.161 -19.097 -11.167 1.00 32.45 H new ATOM 496 N GLU A 34 18.713 -15.542 -11.485 1.00 70.01 N ATOM 497 CA GLU A 34 19.355 -14.237 -11.588 1.00 52.24 C ATOM 498 C GLU A 34 18.796 -13.447 -12.769 1.00 33.53 C ATOM 499 O GLU A 34 18.788 -12.216 -12.758 1.00 33.41 O ATOM 500 CB GLU A 34 20.869 -14.399 -11.740 1.00 53.24 C ATOM 501 CG GLU A 34 21.294 -14.880 -13.117 1.00 42.04 C ATOM 502 CD GLU A 34 22.792 -15.089 -13.225 1.00 42.24 C ATOM 503 OE1 GLU A 34 23.378 -15.673 -12.290 1.00 20.13 O ATOM 504 OE2 GLU A 34 23.379 -14.668 -14.244 1.00 74.23 O ATOM 0 H GLU A 34 19.359 -16.331 -11.478 1.00 70.01 H new ATOM 0 HA GLU A 34 19.146 -13.685 -10.672 1.00 52.24 H new ATOM 0 HB2 GLU A 34 21.351 -13.443 -11.533 1.00 53.24 H new ATOM 0 HB3 GLU A 34 21.227 -15.105 -10.991 1.00 53.24 H new ATOM 0 HG2 GLU A 34 20.783 -15.815 -13.345 1.00 42.04 H new ATOM 0 HG3 GLU A 34 20.977 -14.153 -13.865 1.00 42.04 H new ATOM 511 N ASP A 35 18.330 -14.165 -13.785 1.00 32.01 N ATOM 512 CA ASP A 35 17.768 -13.533 -14.973 1.00 62.01 C ATOM 513 C ASP A 35 16.377 -12.977 -14.687 1.00 34.32 C ATOM 514 O ASP A 35 16.094 -11.810 -14.961 1.00 71.33 O ATOM 515 CB ASP A 35 17.703 -14.535 -16.127 1.00 44.42 C ATOM 516 CG ASP A 35 17.656 -13.855 -17.482 1.00 32.04 C ATOM 517 OD1 ASP A 35 16.922 -12.854 -17.617 1.00 4.41 O ATOM 518 OD2 ASP A 35 18.351 -14.325 -18.407 1.00 22.25 O ATOM 0 H ASP A 35 18.330 -15.185 -13.810 1.00 32.01 H new ATOM 0 HA ASP A 35 18.419 -12.706 -15.256 1.00 62.01 H new ATOM 0 HB2 ASP A 35 18.572 -15.192 -16.083 1.00 44.42 H new ATOM 0 HB3 ASP A 35 16.821 -15.164 -16.009 1.00 44.42 H new ATOM 523 N LEU A 36 15.511 -13.820 -14.135 1.00 32.12 N ATOM 524 CA LEU A 36 14.147 -13.414 -13.812 1.00 4.12 C ATOM 525 C LEU A 36 14.145 -12.196 -12.894 1.00 41.41 C ATOM 526 O LEU A 36 13.309 -11.301 -13.033 1.00 64.54 O ATOM 527 CB LEU A 36 13.394 -14.568 -13.148 1.00 61.02 C ATOM 528 CG LEU A 36 11.909 -14.686 -13.492 1.00 12.21 C ATOM 529 CD1 LEU A 36 11.313 -15.936 -12.864 1.00 61.30 C ATOM 530 CD2 LEU A 36 11.155 -13.446 -13.033 1.00 43.24 C ATOM 0 H LEU A 36 15.729 -14.789 -13.902 1.00 32.12 H new ATOM 0 HA LEU A 36 13.644 -13.147 -14.741 1.00 4.12 H new ATOM 0 HB2 LEU A 36 13.885 -15.502 -13.422 1.00 61.02 H new ATOM 0 HB3 LEU A 36 13.489 -14.463 -12.067 1.00 61.02 H new ATOM 0 HG LEU A 36 11.812 -14.766 -14.575 1.00 12.21 H new ATOM 0 HD11 LEU A 36 10.256 -16.003 -13.120 1.00 61.30 H new ATOM 0 HD12 LEU A 36 11.834 -16.816 -13.241 1.00 61.30 H new ATOM 0 HD13 LEU A 36 11.422 -15.886 -11.781 1.00 61.30 H new ATOM 0 HD21 LEU A 36 10.100 -13.547 -13.286 1.00 43.24 H new ATOM 0 HD22 LEU A 36 11.260 -13.335 -11.954 1.00 43.24 H new ATOM 0 HD23 LEU A 36 11.564 -12.566 -13.530 1.00 43.24 H new ATOM 542 N LEU A 37 15.086 -12.165 -11.957 1.00 65.53 N ATOM 543 CA LEU A 37 15.195 -11.055 -11.017 1.00 61.22 C ATOM 544 C LEU A 37 15.613 -9.775 -11.733 1.00 5.22 C ATOM 545 O LEU A 37 15.194 -8.678 -11.363 1.00 31.03 O ATOM 546 CB LEU A 37 16.203 -11.390 -9.916 1.00 73.22 C ATOM 547 CG LEU A 37 16.620 -10.230 -9.012 1.00 55.40 C ATOM 548 CD1 LEU A 37 15.403 -9.615 -8.338 1.00 10.15 C ATOM 549 CD2 LEU A 37 17.628 -10.698 -7.973 1.00 73.31 C ATOM 0 H LEU A 37 15.785 -12.896 -11.828 1.00 65.53 H new ATOM 0 HA LEU A 37 14.215 -10.894 -10.567 1.00 61.22 H new ATOM 0 HB2 LEU A 37 15.780 -12.177 -9.292 1.00 73.22 H new ATOM 0 HB3 LEU A 37 17.098 -11.800 -10.383 1.00 73.22 H new ATOM 0 HG LEU A 37 17.093 -9.466 -9.629 1.00 55.40 H new ATOM 0 HD11 LEU A 37 15.719 -8.791 -7.698 1.00 10.15 H new ATOM 0 HD12 LEU A 37 14.716 -9.242 -9.098 1.00 10.15 H new ATOM 0 HD13 LEU A 37 14.901 -10.371 -7.734 1.00 10.15 H new ATOM 0 HD21 LEU A 37 17.913 -9.859 -7.339 1.00 73.31 H new ATOM 0 HD22 LEU A 37 17.182 -11.481 -7.360 1.00 73.31 H new ATOM 0 HD23 LEU A 37 18.512 -11.090 -8.475 1.00 73.31 H new ATOM 561 N LYS A 38 16.442 -9.922 -12.761 1.00 53.44 N ATOM 562 CA LYS A 38 16.915 -8.778 -13.533 1.00 31.25 C ATOM 563 C LYS A 38 15.758 -8.087 -14.246 1.00 53.41 C ATOM 564 O LYS A 38 15.695 -6.859 -14.299 1.00 50.12 O ATOM 565 CB LYS A 38 17.964 -9.224 -14.554 1.00 30.55 C ATOM 566 CG LYS A 38 18.510 -8.088 -15.401 1.00 30.32 C ATOM 567 CD LYS A 38 18.588 -8.475 -16.868 1.00 53.44 C ATOM 568 CE LYS A 38 19.884 -7.995 -17.503 1.00 23.41 C ATOM 569 NZ LYS A 38 21.076 -8.643 -16.888 1.00 34.34 N ATOM 0 H LYS A 38 16.801 -10.822 -13.079 1.00 53.44 H new ATOM 0 HA LYS A 38 17.369 -8.068 -12.842 1.00 31.25 H new ATOM 0 HB2 LYS A 38 18.790 -9.703 -14.028 1.00 30.55 H new ATOM 0 HB3 LYS A 38 17.524 -9.976 -15.209 1.00 30.55 H new ATOM 0 HG2 LYS A 38 17.873 -7.210 -15.289 1.00 30.32 H new ATOM 0 HG3 LYS A 38 19.502 -7.810 -15.044 1.00 30.32 H new ATOM 0 HD2 LYS A 38 18.514 -9.558 -16.964 1.00 53.44 H new ATOM 0 HD3 LYS A 38 17.740 -8.049 -17.403 1.00 53.44 H new ATOM 0 HE2 LYS A 38 19.866 -8.208 -18.572 1.00 23.41 H new ATOM 0 HE3 LYS A 38 19.962 -6.913 -17.395 1.00 23.41 H new ATOM 0 HZ1 LYS A 38 21.840 -8.704 -17.591 1.00 34.34 H new ATOM 0 HZ2 LYS A 38 21.398 -8.079 -16.076 1.00 34.34 H new ATOM 0 HZ3 LYS A 38 20.824 -9.599 -16.567 1.00 34.34 H new ATOM 583 N GLU A 39 14.844 -8.883 -14.792 1.00 32.23 N ATOM 584 CA GLU A 39 13.689 -8.346 -15.501 1.00 53.21 C ATOM 585 C GLU A 39 12.766 -7.593 -14.547 1.00 31.32 C ATOM 586 O GLU A 39 12.223 -6.542 -14.890 1.00 20.14 O ATOM 587 CB GLU A 39 12.917 -9.472 -16.192 1.00 22.31 C ATOM 588 CG GLU A 39 13.768 -10.300 -17.140 1.00 21.51 C ATOM 589 CD GLU A 39 13.459 -11.783 -17.057 1.00 42.33 C ATOM 590 OE1 GLU A 39 12.349 -12.132 -16.605 1.00 74.32 O ATOM 591 OE2 GLU A 39 14.327 -12.593 -17.444 1.00 41.30 O ATOM 0 H GLU A 39 14.881 -9.902 -14.757 1.00 32.23 H new ATOM 0 HA GLU A 39 14.051 -7.648 -16.255 1.00 53.21 H new ATOM 0 HB2 GLU A 39 12.491 -10.128 -15.433 1.00 22.31 H new ATOM 0 HB3 GLU A 39 12.083 -9.042 -16.747 1.00 22.31 H new ATOM 0 HG2 GLU A 39 13.607 -9.956 -18.162 1.00 21.51 H new ATOM 0 HG3 GLU A 39 14.822 -10.139 -16.912 1.00 21.51 H new ATOM 598 N LEU A 40 12.592 -8.139 -13.348 1.00 43.11 N ATOM 599 CA LEU A 40 11.735 -7.520 -12.343 1.00 32.41 C ATOM 600 C LEU A 40 12.415 -6.305 -11.720 1.00 72.31 C ATOM 601 O LEU A 40 11.754 -5.345 -11.325 1.00 13.15 O ATOM 602 CB LEU A 40 11.379 -8.534 -11.254 1.00 24.12 C ATOM 603 CG LEU A 40 10.066 -9.294 -11.447 1.00 5.23 C ATOM 604 CD1 LEU A 40 10.122 -10.145 -12.706 1.00 24.24 C ATOM 605 CD2 LEU A 40 9.766 -10.157 -10.230 1.00 11.21 C ATOM 0 H LEU A 40 13.033 -9.009 -13.048 1.00 43.11 H new ATOM 0 HA LEU A 40 10.821 -7.188 -12.835 1.00 32.41 H new ATOM 0 HB2 LEU A 40 12.189 -9.260 -11.183 1.00 24.12 H new ATOM 0 HB3 LEU A 40 11.336 -8.011 -10.299 1.00 24.12 H new ATOM 0 HG LEU A 40 9.261 -8.568 -11.560 1.00 5.23 H new ATOM 0 HD11 LEU A 40 9.179 -10.678 -12.827 1.00 24.24 H new ATOM 0 HD12 LEU A 40 10.290 -9.504 -13.571 1.00 24.24 H new ATOM 0 HD13 LEU A 40 10.937 -10.864 -12.623 1.00 24.24 H new ATOM 0 HD21 LEU A 40 8.828 -10.691 -10.385 1.00 11.21 H new ATOM 0 HD22 LEU A 40 10.573 -10.876 -10.086 1.00 11.21 H new ATOM 0 HD23 LEU A 40 9.682 -9.524 -9.347 1.00 11.21 H new ATOM 617 N LYS A 41 13.740 -6.353 -11.638 1.00 1.11 N ATOM 618 CA LYS A 41 14.512 -5.255 -11.067 1.00 34.30 C ATOM 619 C LYS A 41 14.280 -3.964 -11.846 1.00 34.44 C ATOM 620 O LYS A 41 14.407 -2.867 -11.301 1.00 53.15 O ATOM 621 CB LYS A 41 16.003 -5.600 -11.064 1.00 34.44 C ATOM 622 CG LYS A 41 16.473 -6.253 -9.775 1.00 72.34 C ATOM 623 CD LYS A 41 16.825 -5.217 -8.721 1.00 65.24 C ATOM 624 CE LYS A 41 17.906 -5.726 -7.779 1.00 50.24 C ATOM 625 NZ LYS A 41 17.330 -6.473 -6.627 1.00 63.11 N ATOM 0 H LYS A 41 14.302 -7.141 -11.960 1.00 1.11 H new ATOM 0 HA LYS A 41 14.178 -5.105 -10.040 1.00 34.30 H new ATOM 0 HB2 LYS A 41 16.214 -6.269 -11.898 1.00 34.44 H new ATOM 0 HB3 LYS A 41 16.579 -4.690 -11.231 1.00 34.44 H new ATOM 0 HG2 LYS A 41 15.692 -6.911 -9.393 1.00 72.34 H new ATOM 0 HG3 LYS A 41 17.344 -6.877 -9.978 1.00 72.34 H new ATOM 0 HD2 LYS A 41 17.165 -4.303 -9.207 1.00 65.24 H new ATOM 0 HD3 LYS A 41 15.933 -4.961 -8.149 1.00 65.24 H new ATOM 0 HE2 LYS A 41 18.590 -6.374 -8.327 1.00 50.24 H new ATOM 0 HE3 LYS A 41 18.492 -4.884 -7.410 1.00 50.24 H new ATOM 0 HZ1 LYS A 41 18.085 -6.701 -5.949 1.00 63.11 H new ATOM 0 HZ2 LYS A 41 16.609 -5.888 -6.159 1.00 63.11 H new ATOM 0 HZ3 LYS A 41 16.894 -7.353 -6.967 1.00 63.11 H new ATOM 639 N THR A 42 13.937 -4.102 -13.123 1.00 21.21 N ATOM 640 CA THR A 42 13.687 -2.947 -13.976 1.00 71.40 C ATOM 641 C THR A 42 12.256 -2.446 -13.817 1.00 22.00 C ATOM 642 O THR A 42 12.028 -1.267 -13.547 1.00 62.21 O ATOM 643 CB THR A 42 13.941 -3.279 -15.459 1.00 11.23 C ATOM 644 OG1 THR A 42 13.025 -4.288 -15.899 1.00 25.22 O ATOM 645 CG2 THR A 42 15.370 -3.756 -15.669 1.00 72.24 C ATOM 0 H THR A 42 13.826 -5.002 -13.589 1.00 21.21 H new ATOM 0 HA THR A 42 14.380 -2.166 -13.662 1.00 71.40 H new ATOM 0 HB THR A 42 13.788 -2.372 -16.044 1.00 11.23 H new ATOM 0 HG1 THR A 42 13.180 -5.113 -15.393 1.00 25.22 H new ATOM 0 HG21 THR A 42 15.526 -3.984 -16.723 1.00 72.24 H new ATOM 0 HG22 THR A 42 16.064 -2.974 -15.361 1.00 72.24 H new ATOM 0 HG23 THR A 42 15.546 -4.652 -15.074 1.00 72.24 H new ATOM 653 N MET A 43 11.296 -3.349 -13.985 1.00 55.23 N ATOM 654 CA MET A 43 9.886 -2.997 -13.858 1.00 70.11 C ATOM 655 C MET A 43 9.599 -2.387 -12.490 1.00 22.34 C ATOM 656 O MET A 43 8.962 -1.340 -12.388 1.00 10.01 O ATOM 657 CB MET A 43 9.009 -4.232 -14.073 1.00 52.12 C ATOM 658 CG MET A 43 8.726 -4.529 -15.537 1.00 22.11 C ATOM 659 SD MET A 43 8.105 -6.202 -15.799 1.00 3.52 S ATOM 660 CE MET A 43 8.915 -6.626 -17.339 1.00 22.01 C ATOM 0 H MET A 43 11.468 -4.329 -14.209 1.00 55.23 H new ATOM 0 HA MET A 43 9.652 -2.256 -14.623 1.00 70.11 H new ATOM 0 HB2 MET A 43 9.497 -5.097 -13.623 1.00 52.12 H new ATOM 0 HB3 MET A 43 8.063 -4.091 -13.550 1.00 52.12 H new ATOM 0 HG2 MET A 43 7.997 -3.812 -15.915 1.00 22.11 H new ATOM 0 HG3 MET A 43 9.640 -4.390 -16.115 1.00 22.11 H new ATOM 0 HE1 MET A 43 8.316 -7.363 -17.874 1.00 22.01 H new ATOM 0 HE2 MET A 43 9.022 -5.731 -17.952 1.00 22.01 H new ATOM 0 HE3 MET A 43 9.900 -7.042 -17.129 1.00 22.01 H new ATOM 670 N ASN A 44 10.074 -3.050 -11.440 1.00 73.40 N ATOM 671 CA ASN A 44 9.867 -2.573 -10.077 1.00 70.44 C ATOM 672 C ASN A 44 10.479 -1.189 -9.887 1.00 54.31 C ATOM 673 O ASN A 44 9.882 -0.317 -9.256 1.00 50.21 O ATOM 674 CB ASN A 44 10.476 -3.554 -9.074 1.00 32.55 C ATOM 675 CG ASN A 44 10.543 -2.980 -7.672 1.00 3.13 C ATOM 676 OD1 ASN A 44 9.443 -2.387 -7.222 1.00 61.45 O flip ATOM 677 ND2 ASN A 44 11.572 -3.068 -7.001 1.00 24.21 N flip ATOM 0 H ASN A 44 10.605 -3.919 -11.507 1.00 73.40 H new ATOM 0 HA ASN A 44 8.793 -2.504 -9.901 1.00 70.44 H new ATOM 0 HB2 ASN A 44 9.885 -4.470 -9.061 1.00 32.55 H new ATOM 0 HB3 ASN A 44 11.480 -3.827 -9.400 1.00 32.55 H new ATOM 0 HD21 ASN A 44 12.394 -3.532 -7.387 1.00 24.21 H new ATOM 0 HD22 ASN A 44 11.602 -2.677 -6.060 1.00 24.21 H new ATOM 684 N ALA A 45 11.672 -0.994 -10.438 1.00 23.30 N ATOM 685 CA ALA A 45 12.364 0.284 -10.331 1.00 52.45 C ATOM 686 C ALA A 45 11.675 1.353 -11.173 1.00 74.14 C ATOM 687 O ALA A 45 11.757 2.543 -10.872 1.00 0.15 O ATOM 688 CB ALA A 45 13.818 0.135 -10.753 1.00 22.34 C ATOM 0 H ALA A 45 12.180 -1.706 -10.964 1.00 23.30 H new ATOM 0 HA ALA A 45 12.330 0.600 -9.288 1.00 52.45 H new ATOM 0 HB1 ALA A 45 14.322 1.098 -10.668 1.00 22.34 H new ATOM 0 HB2 ALA A 45 14.312 -0.591 -10.107 1.00 22.34 H new ATOM 0 HB3 ALA A 45 13.864 -0.208 -11.787 1.00 22.34 H new ATOM 694 N ALA A 46 10.996 0.920 -12.231 1.00 33.13 N ATOM 695 CA ALA A 46 10.291 1.840 -13.115 1.00 63.32 C ATOM 696 C ALA A 46 9.219 2.616 -12.359 1.00 2.45 C ATOM 697 O ALA A 46 9.136 3.841 -12.461 1.00 41.05 O ATOM 698 CB ALA A 46 9.673 1.082 -14.281 1.00 20.33 C ATOM 0 H ALA A 46 10.920 -0.062 -12.496 1.00 33.13 H new ATOM 0 HA ALA A 46 11.014 2.557 -13.504 1.00 63.32 H new ATOM 0 HB1 ALA A 46 9.150 1.781 -14.933 1.00 20.33 H new ATOM 0 HB2 ALA A 46 10.458 0.578 -14.845 1.00 20.33 H new ATOM 0 HB3 ALA A 46 8.968 0.343 -13.901 1.00 20.33 H new ATOM 704 N LEU A 47 8.400 1.898 -11.599 1.00 71.30 N ATOM 705 CA LEU A 47 7.331 2.520 -10.825 1.00 25.23 C ATOM 706 C LEU A 47 7.886 3.599 -9.901 1.00 1.50 C ATOM 707 O LEU A 47 7.177 4.534 -9.527 1.00 10.12 O ATOM 708 CB LEU A 47 6.588 1.464 -10.005 1.00 33.01 C ATOM 709 CG LEU A 47 7.248 1.048 -8.690 1.00 35.31 C ATOM 710 CD1 LEU A 47 6.654 1.825 -7.525 1.00 44.44 C ATOM 711 CD2 LEU A 47 7.094 -0.450 -8.467 1.00 1.22 C ATOM 0 H LEU A 47 8.455 0.884 -11.502 1.00 71.30 H new ATOM 0 HA LEU A 47 6.635 2.986 -11.522 1.00 25.23 H new ATOM 0 HB2 LEU A 47 5.590 1.841 -9.784 1.00 33.01 H new ATOM 0 HB3 LEU A 47 6.463 0.575 -10.623 1.00 33.01 H new ATOM 0 HG LEU A 47 8.311 1.280 -8.750 1.00 35.31 H new ATOM 0 HD11 LEU A 47 7.136 1.515 -6.598 1.00 44.44 H new ATOM 0 HD12 LEU A 47 6.815 2.892 -7.679 1.00 44.44 H new ATOM 0 HD13 LEU A 47 5.584 1.625 -7.462 1.00 44.44 H new ATOM 0 HD21 LEU A 47 7.570 -0.729 -7.527 1.00 1.22 H new ATOM 0 HD22 LEU A 47 6.035 -0.705 -8.428 1.00 1.22 H new ATOM 0 HD23 LEU A 47 7.567 -0.990 -9.287 1.00 1.22 H new ATOM 723 N ILE A 48 9.157 3.465 -9.539 1.00 44.20 N ATOM 724 CA ILE A 48 9.808 4.431 -8.662 1.00 54.21 C ATOM 725 C ILE A 48 10.118 5.726 -9.405 1.00 41.21 C ATOM 726 O ILE A 48 9.890 6.821 -8.890 1.00 23.14 O ATOM 727 CB ILE A 48 11.113 3.866 -8.071 1.00 72.14 C ATOM 728 CG1 ILE A 48 10.843 2.539 -7.358 1.00 52.41 C ATOM 729 CG2 ILE A 48 11.740 4.870 -7.115 1.00 73.43 C ATOM 730 CD1 ILE A 48 12.101 1.792 -6.976 1.00 1.14 C ATOM 0 H ILE A 48 9.757 2.697 -9.839 1.00 44.20 H new ATOM 0 HA ILE A 48 9.112 4.639 -7.850 1.00 54.21 H new ATOM 0 HB ILE A 48 11.814 3.683 -8.885 1.00 72.14 H new ATOM 0 HG12 ILE A 48 10.257 2.731 -6.459 1.00 52.41 H new ATOM 0 HG13 ILE A 48 10.236 1.905 -8.005 1.00 52.41 H new ATOM 0 HG21 ILE A 48 12.661 4.456 -6.706 1.00 73.43 H new ATOM 0 HG22 ILE A 48 11.963 5.792 -7.651 1.00 73.43 H new ATOM 0 HG23 ILE A 48 11.045 5.082 -6.302 1.00 73.43 H new ATOM 0 HD11 ILE A 48 11.834 0.862 -6.475 1.00 1.14 H new ATOM 0 HD12 ILE A 48 12.678 1.568 -7.873 1.00 1.14 H new ATOM 0 HD13 ILE A 48 12.699 2.407 -6.304 1.00 1.14 H new ATOM 742 N LYS A 49 10.638 5.594 -10.621 1.00 1.34 N ATOM 743 CA LYS A 49 10.978 6.753 -11.438 1.00 14.11 C ATOM 744 C LYS A 49 9.723 7.392 -12.023 1.00 55.44 C ATOM 745 O LYS A 49 9.517 8.601 -11.905 1.00 24.21 O ATOM 746 CB LYS A 49 11.929 6.347 -12.565 1.00 62.44 C ATOM 747 CG LYS A 49 13.385 6.279 -12.138 1.00 1.40 C ATOM 748 CD LYS A 49 13.658 5.057 -11.277 1.00 53.31 C ATOM 749 CE LYS A 49 15.146 4.875 -11.024 1.00 63.51 C ATOM 750 NZ LYS A 49 15.705 5.970 -10.184 1.00 34.23 N ATOM 0 H LYS A 49 10.833 4.695 -11.062 1.00 1.34 H new ATOM 0 HA LYS A 49 11.473 7.484 -10.799 1.00 14.11 H new ATOM 0 HB2 LYS A 49 11.627 5.374 -12.951 1.00 62.44 H new ATOM 0 HB3 LYS A 49 11.832 7.059 -13.385 1.00 62.44 H new ATOM 0 HG2 LYS A 49 14.023 6.253 -13.021 1.00 1.40 H new ATOM 0 HG3 LYS A 49 13.645 7.181 -11.584 1.00 1.40 H new ATOM 0 HD2 LYS A 49 13.136 5.157 -10.326 1.00 53.31 H new ATOM 0 HD3 LYS A 49 13.260 4.169 -11.767 1.00 53.31 H new ATOM 0 HE2 LYS A 49 15.316 3.917 -10.532 1.00 63.51 H new ATOM 0 HE3 LYS A 49 15.675 4.842 -11.977 1.00 63.51 H new ATOM 0 HZ1 LYS A 49 16.714 5.791 -10.007 1.00 34.23 H new ATOM 0 HZ2 LYS A 49 15.596 6.878 -10.680 1.00 34.23 H new ATOM 0 HZ3 LYS A 49 15.196 6.007 -9.278 1.00 34.23 H new ATOM 764 N ILE A 50 8.886 6.574 -12.653 1.00 42.43 N ATOM 765 CA ILE A 50 7.650 7.061 -13.254 1.00 64.33 C ATOM 766 C ILE A 50 6.635 7.448 -12.185 1.00 54.31 C ATOM 767 O ILE A 50 5.753 8.273 -12.422 1.00 32.14 O ATOM 768 CB ILE A 50 7.023 6.005 -14.184 1.00 1.12 C ATOM 769 CG1 ILE A 50 6.554 4.795 -13.374 1.00 23.42 C ATOM 770 CG2 ILE A 50 8.020 5.581 -15.252 1.00 73.41 C ATOM 771 CD1 ILE A 50 5.061 4.769 -13.135 1.00 72.12 C ATOM 0 H ILE A 50 9.041 5.572 -12.760 1.00 42.43 H new ATOM 0 HA ILE A 50 7.909 7.942 -13.841 1.00 64.33 H new ATOM 0 HB ILE A 50 6.157 6.445 -14.678 1.00 1.12 H new ATOM 0 HG12 ILE A 50 6.846 3.884 -13.896 1.00 23.42 H new ATOM 0 HG13 ILE A 50 7.068 4.790 -12.413 1.00 23.42 H new ATOM 0 HG21 ILE A 50 7.562 4.835 -15.901 1.00 73.41 H new ATOM 0 HG22 ILE A 50 8.309 6.449 -15.845 1.00 73.41 H new ATOM 0 HG23 ILE A 50 8.904 5.155 -14.776 1.00 73.41 H new ATOM 0 HD11 ILE A 50 4.801 3.884 -12.555 1.00 72.12 H new ATOM 0 HD12 ILE A 50 4.765 5.663 -12.586 1.00 72.12 H new ATOM 0 HD13 ILE A 50 4.540 4.742 -14.092 1.00 72.12 H new ATOM 783 N GLY A 51 6.766 6.848 -11.006 1.00 2.21 N ATOM 784 CA GLY A 51 5.854 7.145 -9.917 1.00 22.33 C ATOM 785 C GLY A 51 5.926 8.594 -9.478 1.00 65.12 C ATOM 786 O GLY A 51 5.038 9.082 -8.781 1.00 2.52 O ATOM 0 H GLY A 51 7.487 6.161 -10.786 1.00 2.21 H new ATOM 0 HA2 GLY A 51 4.835 6.913 -10.227 1.00 22.33 H new ATOM 0 HA3 GLY A 51 6.084 6.500 -9.069 1.00 22.33 H new ATOM 790 N GLU A 52 6.988 9.282 -9.887 1.00 0.13 N ATOM 791 CA GLU A 52 7.173 10.683 -9.529 1.00 1.43 C ATOM 792 C GLU A 52 6.017 11.535 -10.047 1.00 23.54 C ATOM 793 O GLU A 52 5.639 12.530 -9.429 1.00 45.42 O ATOM 794 CB GLU A 52 8.497 11.206 -10.090 1.00 62.33 C ATOM 795 CG GLU A 52 8.946 12.519 -9.471 1.00 34.44 C ATOM 796 CD GLU A 52 9.329 12.374 -8.011 1.00 33.34 C ATOM 797 OE1 GLU A 52 9.364 11.226 -7.518 1.00 54.41 O ATOM 798 OE2 GLU A 52 9.593 13.406 -7.361 1.00 3.53 O ATOM 0 H GLU A 52 7.732 8.892 -10.466 1.00 0.13 H new ATOM 0 HA GLU A 52 7.195 10.753 -8.441 1.00 1.43 H new ATOM 0 HB2 GLU A 52 9.271 10.455 -9.930 1.00 62.33 H new ATOM 0 HB3 GLU A 52 8.398 11.337 -11.168 1.00 62.33 H new ATOM 0 HG2 GLU A 52 9.798 12.907 -10.029 1.00 34.44 H new ATOM 0 HG3 GLU A 52 8.144 13.252 -9.562 1.00 34.44 H new ATOM 805 N VAL A 53 5.460 11.135 -11.185 1.00 52.13 N ATOM 806 CA VAL A 53 4.347 11.860 -11.787 1.00 71.32 C ATOM 807 C VAL A 53 3.016 11.417 -11.191 1.00 32.54 C ATOM 808 O VAL A 53 2.861 10.287 -10.725 1.00 50.23 O ATOM 809 CB VAL A 53 4.306 11.658 -13.314 1.00 35.35 C ATOM 810 CG1 VAL A 53 5.630 12.064 -13.942 1.00 72.32 C ATOM 811 CG2 VAL A 53 3.967 10.214 -13.650 1.00 75.54 C ATOM 0 H VAL A 53 5.761 10.313 -11.709 1.00 52.13 H new ATOM 0 HA VAL A 53 4.504 12.917 -11.572 1.00 71.32 H new ATOM 0 HB VAL A 53 3.525 12.296 -13.727 1.00 35.35 H new ATOM 0 HG11 VAL A 53 5.582 11.914 -15.021 1.00 72.32 H new ATOM 0 HG12 VAL A 53 5.826 13.115 -13.730 1.00 72.32 H new ATOM 0 HG13 VAL A 53 6.432 11.454 -13.526 1.00 72.32 H new ATOM 0 HG21 VAL A 53 3.942 10.089 -14.732 1.00 75.54 H new ATOM 0 HG22 VAL A 53 4.724 9.554 -13.226 1.00 75.54 H new ATOM 0 HG23 VAL A 53 2.992 9.963 -13.233 1.00 75.54 H new ATOM 821 N PRO A 54 2.030 12.326 -11.204 1.00 33.43 N ATOM 822 CA PRO A 54 0.693 12.051 -10.669 1.00 12.15 C ATOM 823 C PRO A 54 -0.081 11.055 -11.525 1.00 52.02 C ATOM 824 O PRO A 54 0.307 10.731 -12.648 1.00 3.43 O ATOM 825 CB PRO A 54 0.012 13.422 -10.695 1.00 72.31 C ATOM 826 CG PRO A 54 0.720 14.176 -11.767 1.00 4.14 C ATOM 827 CD PRO A 54 2.144 13.691 -11.743 1.00 14.35 C ATOM 0 HA PRO A 54 0.736 11.600 -9.678 1.00 12.15 H new ATOM 0 HB2 PRO A 54 -1.052 13.331 -10.912 1.00 72.31 H new ATOM 0 HB3 PRO A 54 0.100 13.926 -9.732 1.00 72.31 H new ATOM 0 HG2 PRO A 54 0.262 13.994 -12.739 1.00 4.14 H new ATOM 0 HG3 PRO A 54 0.670 15.250 -11.587 1.00 4.14 H new ATOM 0 HD2 PRO A 54 2.586 13.694 -12.739 1.00 14.35 H new ATOM 0 HD3 PRO A 54 2.772 14.321 -11.113 1.00 14.35 H new ATOM 835 N PRO A 55 -1.204 10.556 -10.986 1.00 4.31 N ATOM 836 CA PRO A 55 -2.056 9.590 -11.685 1.00 12.30 C ATOM 837 C PRO A 55 -2.786 10.213 -12.871 1.00 23.54 C ATOM 838 O PRO A 55 -3.418 9.511 -13.661 1.00 25.23 O ATOM 839 CB PRO A 55 -3.056 9.156 -10.610 1.00 2.40 C ATOM 840 CG PRO A 55 -3.107 10.300 -9.656 1.00 63.24 C ATOM 841 CD PRO A 55 -1.727 10.898 -9.652 1.00 61.55 C ATOM 0 HA PRO A 55 -1.479 8.767 -12.107 1.00 12.30 H new ATOM 0 HB2 PRO A 55 -4.037 8.955 -11.040 1.00 2.40 H new ATOM 0 HB3 PRO A 55 -2.732 8.241 -10.114 1.00 2.40 H new ATOM 0 HG2 PRO A 55 -3.850 11.035 -9.967 1.00 63.24 H new ATOM 0 HG3 PRO A 55 -3.390 9.964 -8.658 1.00 63.24 H new ATOM 0 HD2 PRO A 55 -1.757 11.976 -9.496 1.00 61.55 H new ATOM 0 HD3 PRO A 55 -1.109 10.478 -8.858 1.00 61.55 H new ATOM 849 N ASP A 56 -2.694 11.532 -12.989 1.00 50.52 N ATOM 850 CA ASP A 56 -3.344 12.249 -14.080 1.00 54.20 C ATOM 851 C ASP A 56 -2.612 12.014 -15.398 1.00 34.24 C ATOM 852 O ASP A 56 -3.205 12.107 -16.472 1.00 61.32 O ATOM 853 CB ASP A 56 -3.400 13.747 -13.773 1.00 65.44 C ATOM 854 CG ASP A 56 -4.338 14.493 -14.700 1.00 55.25 C ATOM 855 OD1 ASP A 56 -3.999 14.646 -15.893 1.00 24.23 O ATOM 856 OD2 ASP A 56 -5.414 14.924 -14.234 1.00 45.11 O ATOM 0 H ASP A 56 -2.176 12.127 -12.343 1.00 50.52 H new ATOM 0 HA ASP A 56 -4.361 11.868 -14.177 1.00 54.20 H new ATOM 0 HB2 ASP A 56 -3.722 13.892 -12.742 1.00 65.44 H new ATOM 0 HB3 ASP A 56 -2.399 14.170 -13.857 1.00 65.44 H new ATOM 861 N GLN A 57 -1.322 11.710 -15.306 1.00 23.15 N ATOM 862 CA GLN A 57 -0.509 11.463 -16.491 1.00 11.22 C ATOM 863 C GLN A 57 -0.462 9.974 -16.818 1.00 41.42 C ATOM 864 O GLN A 57 0.390 9.523 -17.585 1.00 4.24 O ATOM 865 CB GLN A 57 0.909 11.997 -16.283 1.00 22.02 C ATOM 866 CG GLN A 57 1.016 13.507 -16.416 1.00 45.54 C ATOM 867 CD GLN A 57 2.268 14.064 -15.766 1.00 33.54 C ATOM 868 OE1 GLN A 57 3.371 13.565 -15.988 1.00 62.42 O ATOM 869 NE2 GLN A 57 2.102 15.103 -14.956 1.00 22.11 N ATOM 0 H GLN A 57 -0.817 11.629 -14.423 1.00 23.15 H new ATOM 0 HA GLN A 57 -0.967 11.986 -17.330 1.00 11.22 H new ATOM 0 HB2 GLN A 57 1.258 11.702 -15.293 1.00 22.02 H new ATOM 0 HB3 GLN A 57 1.575 11.529 -17.008 1.00 22.02 H new ATOM 0 HG2 GLN A 57 1.009 13.776 -17.472 1.00 45.54 H new ATOM 0 HG3 GLN A 57 0.139 13.971 -15.963 1.00 45.54 H new ATOM 0 HE21 GLN A 57 1.169 15.485 -14.801 1.00 22.11 H new ATOM 0 HE22 GLN A 57 2.908 15.519 -14.489 1.00 22.11 H new ATOM 878 N LEU A 58 -1.382 9.216 -16.233 1.00 20.30 N ATOM 879 CA LEU A 58 -1.445 7.776 -16.462 1.00 55.42 C ATOM 880 C LEU A 58 -2.738 7.395 -17.176 1.00 53.23 C ATOM 881 O LEU A 58 -3.815 7.888 -16.838 1.00 45.43 O ATOM 882 CB LEU A 58 -1.342 7.024 -15.135 1.00 22.44 C ATOM 883 CG LEU A 58 -0.003 7.133 -14.404 1.00 31.02 C ATOM 884 CD1 LEU A 58 -0.008 6.272 -13.150 1.00 5.30 C ATOM 885 CD2 LEU A 58 1.141 6.733 -15.324 1.00 20.53 C ATOM 0 H LEU A 58 -2.095 9.574 -15.597 1.00 20.30 H new ATOM 0 HA LEU A 58 -0.604 7.497 -17.097 1.00 55.42 H new ATOM 0 HB2 LEU A 58 -2.126 7.389 -14.472 1.00 22.44 H new ATOM 0 HB3 LEU A 58 -1.547 5.970 -15.321 1.00 22.44 H new ATOM 0 HG LEU A 58 0.143 8.171 -14.106 1.00 31.02 H new ATOM 0 HD11 LEU A 58 0.953 6.362 -12.643 1.00 5.30 H new ATOM 0 HD12 LEU A 58 -0.803 6.605 -12.483 1.00 5.30 H new ATOM 0 HD13 LEU A 58 -0.177 5.231 -13.424 1.00 5.30 H new ATOM 0 HD21 LEU A 58 2.086 6.817 -14.787 1.00 20.53 H new ATOM 0 HD22 LEU A 58 1.000 5.703 -15.653 1.00 20.53 H new ATOM 0 HD23 LEU A 58 1.157 7.392 -16.192 1.00 20.53 H new ATOM 897 N ASP A 59 -2.625 6.513 -18.163 1.00 41.54 N ATOM 898 CA ASP A 59 -3.785 6.063 -18.923 1.00 51.14 C ATOM 899 C ASP A 59 -4.165 4.636 -18.540 1.00 51.13 C ATOM 900 O ASP A 59 -3.528 4.022 -17.684 1.00 55.31 O ATOM 901 CB ASP A 59 -3.501 6.143 -20.424 1.00 41.01 C ATOM 902 CG ASP A 59 -2.479 5.118 -20.875 1.00 73.23 C ATOM 903 OD1 ASP A 59 -1.390 5.057 -20.266 1.00 75.23 O ATOM 904 OD2 ASP A 59 -2.769 4.376 -21.837 1.00 21.22 O ATOM 0 H ASP A 59 -1.742 6.095 -18.455 1.00 41.54 H new ATOM 0 HA ASP A 59 -4.622 6.719 -18.684 1.00 51.14 H new ATOM 0 HB2 ASP A 59 -4.429 5.993 -20.975 1.00 41.01 H new ATOM 0 HB3 ASP A 59 -3.142 7.142 -20.670 1.00 41.01 H new ATOM 909 N SER A 60 -5.207 4.115 -19.180 1.00 34.24 N ATOM 910 CA SER A 60 -5.675 2.762 -18.902 1.00 75.14 C ATOM 911 C SER A 60 -4.547 1.750 -19.076 1.00 4.32 C ATOM 912 O SER A 60 -4.500 0.733 -18.385 1.00 1.13 O ATOM 913 CB SER A 60 -6.842 2.404 -19.825 1.00 53.20 C ATOM 914 OG SER A 60 -7.814 3.436 -19.842 1.00 64.13 O ATOM 0 H SER A 60 -5.743 4.609 -19.894 1.00 34.24 H new ATOM 0 HA SER A 60 -6.015 2.727 -17.867 1.00 75.14 H new ATOM 0 HB2 SER A 60 -6.471 2.233 -20.836 1.00 53.20 H new ATOM 0 HB3 SER A 60 -7.301 1.473 -19.492 1.00 53.20 H new ATOM 0 HG SER A 60 -8.548 3.184 -20.440 1.00 64.13 H new ATOM 920 N GLN A 61 -3.640 2.039 -20.003 1.00 64.55 N ATOM 921 CA GLN A 61 -2.511 1.154 -20.269 1.00 31.04 C ATOM 922 C GLN A 61 -1.617 1.029 -19.039 1.00 60.25 C ATOM 923 O GLN A 61 -0.943 0.016 -18.851 1.00 3.22 O ATOM 924 CB GLN A 61 -1.697 1.673 -21.455 1.00 72.34 C ATOM 925 CG GLN A 61 -0.915 0.588 -22.178 1.00 31.55 C ATOM 926 CD GLN A 61 0.344 0.184 -21.436 1.00 42.20 C ATOM 927 OE1 GLN A 61 1.099 1.034 -20.962 1.00 52.24 O ATOM 928 NE2 GLN A 61 0.578 -1.119 -21.331 1.00 41.31 N ATOM 0 H GLN A 61 -3.664 2.878 -20.582 1.00 64.55 H new ATOM 0 HA GLN A 61 -2.904 0.167 -20.512 1.00 31.04 H new ATOM 0 HB2 GLN A 61 -2.370 2.157 -22.163 1.00 72.34 H new ATOM 0 HB3 GLN A 61 -1.003 2.436 -21.102 1.00 72.34 H new ATOM 0 HG2 GLN A 61 -1.551 -0.287 -22.309 1.00 31.55 H new ATOM 0 HG3 GLN A 61 -0.648 0.940 -23.174 1.00 31.55 H new ATOM 0 HE21 GLN A 61 -0.074 -1.789 -21.739 1.00 41.31 H new ATOM 0 HE22 GLN A 61 1.410 -1.450 -20.843 1.00 41.31 H new ATOM 937 N ASP A 62 -1.616 2.064 -18.207 1.00 31.00 N ATOM 938 CA ASP A 62 -0.805 2.070 -16.995 1.00 31.20 C ATOM 939 C ASP A 62 -1.235 0.954 -16.048 1.00 71.41 C ATOM 940 O ASP A 62 -0.399 0.260 -15.468 1.00 13.42 O ATOM 941 CB ASP A 62 -0.913 3.423 -16.290 1.00 64.03 C ATOM 942 CG ASP A 62 -0.047 3.499 -15.048 1.00 11.11 C ATOM 943 OD1 ASP A 62 1.185 3.642 -15.191 1.00 51.15 O ATOM 944 OD2 ASP A 62 -0.602 3.415 -13.932 1.00 23.31 O ATOM 0 H ASP A 62 -2.168 2.910 -18.349 1.00 31.00 H new ATOM 0 HA ASP A 62 0.233 1.900 -17.281 1.00 31.20 H new ATOM 0 HB2 ASP A 62 -0.622 4.214 -16.981 1.00 64.03 H new ATOM 0 HB3 ASP A 62 -1.952 3.605 -16.017 1.00 64.03 H new ATOM 949 N LYS A 63 -2.544 0.786 -15.896 1.00 33.34 N ATOM 950 CA LYS A 63 -3.087 -0.246 -15.020 1.00 1.25 C ATOM 951 C LYS A 63 -2.775 -1.638 -15.560 1.00 11.21 C ATOM 952 O LYS A 63 -2.527 -2.571 -14.795 1.00 3.42 O ATOM 953 CB LYS A 63 -4.600 -0.072 -14.870 1.00 20.54 C ATOM 954 CG LYS A 63 -5.012 1.323 -14.435 1.00 52.54 C ATOM 955 CD LYS A 63 -4.373 1.707 -13.111 1.00 73.12 C ATOM 956 CE LYS A 63 -5.215 2.728 -12.361 1.00 70.02 C ATOM 957 NZ LYS A 63 -6.527 2.163 -11.940 1.00 0.21 N ATOM 0 H LYS A 63 -3.249 1.352 -16.368 1.00 33.34 H new ATOM 0 HA LYS A 63 -2.617 -0.142 -14.042 1.00 1.25 H new ATOM 0 HB2 LYS A 63 -5.080 -0.303 -15.821 1.00 20.54 H new ATOM 0 HB3 LYS A 63 -4.970 -0.794 -14.142 1.00 20.54 H new ATOM 0 HG2 LYS A 63 -4.725 2.043 -15.201 1.00 52.54 H new ATOM 0 HG3 LYS A 63 -6.097 1.371 -14.343 1.00 52.54 H new ATOM 0 HD2 LYS A 63 -4.245 0.816 -12.496 1.00 73.12 H new ATOM 0 HD3 LYS A 63 -3.379 2.115 -13.291 1.00 73.12 H new ATOM 0 HE2 LYS A 63 -4.670 3.074 -11.483 1.00 70.02 H new ATOM 0 HE3 LYS A 63 -5.381 3.598 -12.996 1.00 70.02 H new ATOM 0 HZ1 LYS A 63 -6.872 2.674 -11.103 1.00 0.21 H new ATOM 0 HZ2 LYS A 63 -7.213 2.264 -12.715 1.00 0.21 H new ATOM 0 HZ3 LYS A 63 -6.413 1.156 -11.708 1.00 0.21 H new ATOM 971 N LEU A 64 -2.788 -1.771 -16.882 1.00 14.15 N ATOM 972 CA LEU A 64 -2.505 -3.049 -17.525 1.00 34.44 C ATOM 973 C LEU A 64 -1.009 -3.347 -17.509 1.00 75.32 C ATOM 974 O LEU A 64 -0.598 -4.507 -17.500 1.00 61.43 O ATOM 975 CB LEU A 64 -3.021 -3.043 -18.965 1.00 20.42 C ATOM 976 CG LEU A 64 -4.491 -3.421 -19.153 1.00 64.51 C ATOM 977 CD1 LEU A 64 -5.385 -2.522 -18.314 1.00 41.22 C ATOM 978 CD2 LEU A 64 -4.878 -3.341 -20.623 1.00 21.05 C ATOM 0 H LEU A 64 -2.992 -1.009 -17.529 1.00 14.15 H new ATOM 0 HA LEU A 64 -3.018 -3.831 -16.965 1.00 34.44 H new ATOM 0 HB2 LEU A 64 -2.867 -2.047 -19.381 1.00 20.42 H new ATOM 0 HB3 LEU A 64 -2.412 -3.731 -19.551 1.00 20.42 H new ATOM 0 HG LEU A 64 -4.628 -4.449 -18.817 1.00 64.51 H new ATOM 0 HD11 LEU A 64 -6.427 -2.806 -18.461 1.00 41.22 H new ATOM 0 HD12 LEU A 64 -5.124 -2.630 -17.261 1.00 41.22 H new ATOM 0 HD13 LEU A 64 -5.245 -1.485 -18.618 1.00 41.22 H new ATOM 0 HD21 LEU A 64 -5.927 -3.613 -20.738 1.00 21.05 H new ATOM 0 HD22 LEU A 64 -4.725 -2.324 -20.985 1.00 21.05 H new ATOM 0 HD23 LEU A 64 -4.259 -4.028 -21.200 1.00 21.05 H new ATOM 990 N TRP A 65 -0.202 -2.293 -17.504 1.00 61.02 N ATOM 991 CA TRP A 65 1.249 -2.442 -17.487 1.00 51.04 C ATOM 992 C TRP A 65 1.699 -3.253 -16.277 1.00 51.30 C ATOM 993 O TRP A 65 2.525 -4.157 -16.397 1.00 34.23 O ATOM 994 CB TRP A 65 1.923 -1.069 -17.476 1.00 60.04 C ATOM 995 CG TRP A 65 3.419 -1.142 -17.412 1.00 74.12 C ATOM 996 CD1 TRP A 65 4.207 -2.181 -17.819 1.00 14.13 C ATOM 997 CD2 TRP A 65 4.305 -0.136 -16.910 1.00 60.11 C ATOM 998 NE1 TRP A 65 5.530 -1.881 -17.600 1.00 34.15 N ATOM 999 CE2 TRP A 65 5.617 -0.632 -17.044 1.00 33.22 C ATOM 1000 CE3 TRP A 65 4.119 1.136 -16.363 1.00 12.12 C ATOM 1001 CZ2 TRP A 65 6.733 0.100 -16.648 1.00 70.04 C ATOM 1002 CZ3 TRP A 65 5.228 1.861 -15.971 1.00 13.44 C ATOM 1003 CH2 TRP A 65 6.521 1.342 -16.116 1.00 2.54 C ATOM 0 H TRP A 65 -0.527 -1.326 -17.511 1.00 61.02 H new ATOM 0 HA TRP A 65 1.545 -2.977 -18.389 1.00 51.04 H new ATOM 0 HB2 TRP A 65 1.631 -0.522 -18.372 1.00 60.04 H new ATOM 0 HB3 TRP A 65 1.557 -0.500 -16.622 1.00 60.04 H new ATOM 0 HD1 TRP A 65 3.844 -3.102 -18.249 1.00 14.13 H new ATOM 0 HE1 TRP A 65 6.319 -2.490 -17.816 1.00 34.15 H new ATOM 0 HE3 TRP A 65 3.126 1.545 -16.249 1.00 12.12 H new ATOM 0 HZ2 TRP A 65 7.731 -0.299 -16.757 1.00 70.04 H new ATOM 0 HZ3 TRP A 65 5.096 2.845 -15.545 1.00 13.44 H new ATOM 0 HH2 TRP A 65 7.367 1.934 -15.801 1.00 2.54 H new ATOM 1014 N ALA A 66 1.151 -2.923 -15.112 1.00 53.22 N ATOM 1015 CA ALA A 66 1.495 -3.622 -13.881 1.00 33.54 C ATOM 1016 C ALA A 66 0.900 -5.027 -13.862 1.00 41.45 C ATOM 1017 O ALA A 66 1.486 -5.952 -13.300 1.00 41.12 O ATOM 1018 CB ALA A 66 1.018 -2.830 -12.673 1.00 2.25 C ATOM 0 H ALA A 66 0.467 -2.176 -14.995 1.00 53.22 H new ATOM 0 HA ALA A 66 2.580 -3.714 -13.837 1.00 33.54 H new ATOM 0 HB1 ALA A 66 1.282 -3.364 -11.760 1.00 2.25 H new ATOM 0 HB2 ALA A 66 1.494 -1.849 -12.670 1.00 2.25 H new ATOM 0 HB3 ALA A 66 -0.064 -2.708 -12.722 1.00 2.25 H new ATOM 1024 N ASP A 67 -0.266 -5.178 -14.480 1.00 13.10 N ATOM 1025 CA ASP A 67 -0.940 -6.470 -14.535 1.00 13.00 C ATOM 1026 C ASP A 67 -0.026 -7.535 -15.133 1.00 53.45 C ATOM 1027 O ASP A 67 0.178 -8.594 -14.542 1.00 32.11 O ATOM 1028 CB ASP A 67 -2.226 -6.364 -15.356 1.00 53.21 C ATOM 1029 CG ASP A 67 -2.838 -7.719 -15.651 1.00 72.03 C ATOM 1030 OD1 ASP A 67 -2.794 -8.596 -14.763 1.00 44.24 O ATOM 1031 OD2 ASP A 67 -3.361 -7.903 -16.771 1.00 31.34 O ATOM 0 H ASP A 67 -0.764 -4.422 -14.950 1.00 13.10 H new ATOM 0 HA ASP A 67 -1.192 -6.764 -13.516 1.00 13.00 H new ATOM 0 HB2 ASP A 67 -2.949 -5.752 -14.816 1.00 53.21 H new ATOM 0 HB3 ASP A 67 -2.013 -5.853 -16.295 1.00 53.21 H new ATOM 1036 N GLU A 68 0.520 -7.245 -16.310 1.00 73.05 N ATOM 1037 CA GLU A 68 1.410 -8.179 -16.989 1.00 62.23 C ATOM 1038 C GLU A 68 2.571 -8.581 -16.083 1.00 54.43 C ATOM 1039 O GLU A 68 3.080 -9.698 -16.166 1.00 60.23 O ATOM 1040 CB GLU A 68 1.948 -7.559 -18.281 1.00 12.04 C ATOM 1041 CG GLU A 68 0.993 -7.677 -19.456 1.00 74.13 C ATOM 1042 CD GLU A 68 -0.271 -6.860 -19.266 1.00 22.32 C ATOM 1043 OE1 GLU A 68 -1.167 -7.316 -18.525 1.00 64.20 O ATOM 1044 OE2 GLU A 68 -0.363 -5.765 -19.858 1.00 1.40 O ATOM 0 H GLU A 68 0.362 -6.372 -16.812 1.00 73.05 H new ATOM 0 HA GLU A 68 0.837 -9.073 -17.235 1.00 62.23 H new ATOM 0 HB2 GLU A 68 2.166 -6.506 -18.105 1.00 12.04 H new ATOM 0 HB3 GLU A 68 2.891 -8.041 -18.540 1.00 12.04 H new ATOM 0 HG2 GLU A 68 1.499 -7.350 -20.365 1.00 74.13 H new ATOM 0 HG3 GLU A 68 0.726 -8.724 -19.599 1.00 74.13 H new ATOM 1051 N VAL A 69 2.984 -7.660 -15.218 1.00 42.12 N ATOM 1052 CA VAL A 69 4.084 -7.917 -14.296 1.00 12.41 C ATOM 1053 C VAL A 69 3.643 -8.826 -13.154 1.00 52.23 C ATOM 1054 O VAL A 69 4.419 -9.648 -12.667 1.00 12.23 O ATOM 1055 CB VAL A 69 4.641 -6.606 -13.708 1.00 70.42 C ATOM 1056 CG1 VAL A 69 5.904 -6.876 -12.905 1.00 44.02 C ATOM 1057 CG2 VAL A 69 4.908 -5.598 -14.815 1.00 11.40 C ATOM 0 H VAL A 69 2.574 -6.730 -15.136 1.00 42.12 H new ATOM 0 HA VAL A 69 4.868 -8.412 -14.869 1.00 12.41 H new ATOM 0 HB VAL A 69 3.895 -6.183 -13.035 1.00 70.42 H new ATOM 0 HG11 VAL A 69 6.283 -5.939 -12.497 1.00 44.02 H new ATOM 0 HG12 VAL A 69 5.676 -7.561 -12.088 1.00 44.02 H new ATOM 0 HG13 VAL A 69 6.659 -7.322 -13.553 1.00 44.02 H new ATOM 0 HG21 VAL A 69 5.301 -4.678 -14.382 1.00 11.40 H new ATOM 0 HG22 VAL A 69 5.636 -6.010 -15.514 1.00 11.40 H new ATOM 0 HG23 VAL A 69 3.979 -5.383 -15.343 1.00 11.40 H new ATOM 1067 N ARG A 70 2.392 -8.673 -12.733 1.00 13.20 N ATOM 1068 CA ARG A 70 1.847 -9.480 -11.648 1.00 11.32 C ATOM 1069 C ARG A 70 1.615 -10.918 -12.103 1.00 52.50 C ATOM 1070 O ARG A 70 2.024 -11.864 -11.432 1.00 63.32 O ATOM 1071 CB ARG A 70 0.535 -8.875 -11.143 1.00 64.30 C ATOM 1072 CG ARG A 70 0.727 -7.634 -10.287 1.00 55.10 C ATOM 1073 CD ARG A 70 0.965 -7.994 -8.829 1.00 10.00 C ATOM 1074 NE ARG A 70 -0.237 -8.527 -8.193 1.00 41.02 N ATOM 1075 CZ ARG A 70 -1.221 -7.766 -7.727 1.00 4.14 C ATOM 1076 NH1 ARG A 70 -1.145 -6.446 -7.825 1.00 14.14 N ATOM 1077 NH2 ARG A 70 -2.283 -8.325 -7.161 1.00 24.30 N ATOM 0 H ARG A 70 1.737 -7.998 -13.127 1.00 13.20 H new ATOM 0 HA ARG A 70 2.573 -9.487 -10.835 1.00 11.32 H new ATOM 0 HB2 ARG A 70 -0.092 -8.623 -11.998 1.00 64.30 H new ATOM 0 HB3 ARG A 70 -0.003 -9.626 -10.564 1.00 64.30 H new ATOM 0 HG2 ARG A 70 1.573 -7.058 -10.663 1.00 55.10 H new ATOM 0 HG3 ARG A 70 -0.153 -6.996 -10.366 1.00 55.10 H new ATOM 0 HD2 ARG A 70 1.766 -8.730 -8.764 1.00 10.00 H new ATOM 0 HD3 ARG A 70 1.300 -7.109 -8.287 1.00 10.00 H new ATOM 0 HE ARG A 70 -0.326 -9.539 -8.102 1.00 41.02 H new ATOM 0 HH11 ARG A 70 -0.330 -6.013 -8.259 1.00 14.14 H new ATOM 0 HH12 ARG A 70 -1.902 -5.864 -7.467 1.00 14.14 H new ATOM 0 HH21 ARG A 70 -2.344 -9.340 -7.083 1.00 24.30 H new ATOM 0 HH22 ARG A 70 -3.038 -7.740 -6.804 1.00 24.30 H new ATOM 1091 N GLU A 71 0.955 -11.072 -13.247 1.00 11.52 N ATOM 1092 CA GLU A 71 0.668 -12.394 -13.790 1.00 15.10 C ATOM 1093 C GLU A 71 1.944 -13.221 -13.913 1.00 42.32 C ATOM 1094 O GLU A 71 1.924 -14.442 -13.756 1.00 22.15 O ATOM 1095 CB GLU A 71 -0.008 -12.272 -15.157 1.00 73.14 C ATOM 1096 CG GLU A 71 0.822 -11.516 -16.181 1.00 73.23 C ATOM 1097 CD GLU A 71 0.177 -11.494 -17.553 1.00 54.14 C ATOM 1098 OE1 GLU A 71 -1.058 -11.320 -17.625 1.00 71.10 O ATOM 1099 OE2 GLU A 71 0.906 -11.650 -18.555 1.00 74.50 O ATOM 0 H GLU A 71 0.610 -10.298 -13.815 1.00 11.52 H new ATOM 0 HA GLU A 71 -0.008 -12.902 -13.102 1.00 15.10 H new ATOM 0 HB2 GLU A 71 -0.219 -13.271 -15.539 1.00 73.14 H new ATOM 0 HB3 GLU A 71 -0.967 -11.768 -15.035 1.00 73.14 H new ATOM 0 HG2 GLU A 71 0.972 -10.492 -15.838 1.00 73.23 H new ATOM 0 HG3 GLU A 71 1.808 -11.975 -16.254 1.00 73.23 H new ATOM 1106 N LEU A 72 3.053 -12.547 -14.197 1.00 3.44 N ATOM 1107 CA LEU A 72 4.340 -13.218 -14.342 1.00 4.40 C ATOM 1108 C LEU A 72 4.898 -13.626 -12.982 1.00 44.33 C ATOM 1109 O LEU A 72 5.644 -14.599 -12.873 1.00 2.22 O ATOM 1110 CB LEU A 72 5.335 -12.305 -15.061 1.00 62.03 C ATOM 1111 CG LEU A 72 5.396 -12.445 -16.583 1.00 13.03 C ATOM 1112 CD1 LEU A 72 5.804 -11.128 -17.224 1.00 51.11 C ATOM 1113 CD2 LEU A 72 6.359 -13.554 -16.978 1.00 62.34 C ATOM 0 H LEU A 72 3.087 -11.536 -14.331 1.00 3.44 H new ATOM 0 HA LEU A 72 4.187 -14.119 -14.936 1.00 4.40 H new ATOM 0 HB2 LEU A 72 5.088 -11.271 -14.821 1.00 62.03 H new ATOM 0 HB3 LEU A 72 6.330 -12.497 -14.658 1.00 62.03 H new ATOM 0 HG LEU A 72 4.402 -12.709 -16.945 1.00 13.03 H new ATOM 0 HD11 LEU A 72 5.842 -11.247 -18.307 1.00 51.11 H new ATOM 0 HD12 LEU A 72 5.076 -10.358 -16.969 1.00 51.11 H new ATOM 0 HD13 LEU A 72 6.787 -10.834 -16.857 1.00 51.11 H new ATOM 0 HD21 LEU A 72 6.390 -13.639 -18.064 1.00 62.34 H new ATOM 0 HD22 LEU A 72 7.356 -13.321 -16.604 1.00 62.34 H new ATOM 0 HD23 LEU A 72 6.022 -14.498 -16.549 1.00 62.34 H new ATOM 1125 N SER A 73 4.530 -12.876 -11.948 1.00 62.21 N ATOM 1126 CA SER A 73 4.995 -13.159 -10.595 1.00 42.23 C ATOM 1127 C SER A 73 4.716 -14.610 -10.217 1.00 31.21 C ATOM 1128 O SER A 73 5.444 -15.208 -9.424 1.00 41.03 O ATOM 1129 CB SER A 73 4.319 -12.220 -9.594 1.00 41.23 C ATOM 1130 OG SER A 73 3.053 -12.720 -9.201 1.00 11.02 O ATOM 0 H SER A 73 3.912 -12.068 -12.021 1.00 62.21 H new ATOM 0 HA SER A 73 6.072 -12.995 -10.566 1.00 42.23 H new ATOM 0 HB2 SER A 73 4.955 -12.100 -8.717 1.00 41.23 H new ATOM 0 HB3 SER A 73 4.201 -11.232 -10.040 1.00 41.23 H new ATOM 0 HG SER A 73 2.358 -12.344 -9.781 1.00 11.02 H new ATOM 1136 N TYR A 74 3.656 -15.171 -10.789 1.00 43.55 N ATOM 1137 CA TYR A 74 3.278 -16.551 -10.511 1.00 50.14 C ATOM 1138 C TYR A 74 4.353 -17.519 -10.996 1.00 5.35 C ATOM 1139 O TYR A 74 4.598 -18.554 -10.376 1.00 3.11 O ATOM 1140 CB TYR A 74 1.942 -16.880 -11.179 1.00 71.15 C ATOM 1141 CG TYR A 74 0.739 -16.542 -10.328 1.00 4.24 C ATOM 1142 CD1 TYR A 74 0.575 -17.104 -9.068 1.00 21.31 C ATOM 1143 CD2 TYR A 74 -0.232 -15.659 -10.782 1.00 52.34 C ATOM 1144 CE1 TYR A 74 -0.522 -16.799 -8.287 1.00 14.42 C ATOM 1145 CE2 TYR A 74 -1.332 -15.346 -10.007 1.00 73.05 C ATOM 1146 CZ TYR A 74 -1.473 -15.919 -8.761 1.00 12.13 C ATOM 1147 OH TYR A 74 -2.567 -15.611 -7.985 1.00 12.30 O ATOM 0 H TYR A 74 3.043 -14.691 -11.448 1.00 43.55 H new ATOM 0 HA TYR A 74 3.175 -16.662 -9.432 1.00 50.14 H new ATOM 0 HB2 TYR A 74 1.874 -16.337 -12.122 1.00 71.15 H new ATOM 0 HB3 TYR A 74 1.918 -17.943 -11.421 1.00 71.15 H new ATOM 0 HD1 TYR A 74 1.319 -17.792 -8.693 1.00 21.31 H new ATOM 0 HD2 TYR A 74 -0.125 -15.209 -11.758 1.00 52.34 H new ATOM 0 HE1 TYR A 74 -0.635 -17.247 -7.311 1.00 14.42 H new ATOM 0 HE2 TYR A 74 -2.077 -14.656 -10.375 1.00 73.05 H new ATOM 0 HH TYR A 74 -3.140 -14.976 -8.464 1.00 12.30 H new ATOM 1157 N VAL A 75 4.994 -17.173 -12.108 1.00 72.20 N ATOM 1158 CA VAL A 75 6.045 -18.009 -12.676 1.00 52.11 C ATOM 1159 C VAL A 75 7.273 -18.036 -11.774 1.00 4.02 C ATOM 1160 O VAL A 75 8.018 -19.017 -11.751 1.00 53.31 O ATOM 1161 CB VAL A 75 6.460 -17.516 -14.075 1.00 14.40 C ATOM 1162 CG1 VAL A 75 7.436 -18.489 -14.717 1.00 73.52 C ATOM 1163 CG2 VAL A 75 5.234 -17.318 -14.955 1.00 4.13 C ATOM 0 H VAL A 75 4.804 -16.320 -12.633 1.00 72.20 H new ATOM 0 HA VAL A 75 5.637 -19.016 -12.760 1.00 52.11 H new ATOM 0 HB VAL A 75 6.962 -16.554 -13.968 1.00 14.40 H new ATOM 0 HG11 VAL A 75 7.717 -18.124 -15.705 1.00 73.52 H new ATOM 0 HG12 VAL A 75 8.327 -18.575 -14.094 1.00 73.52 H new ATOM 0 HG13 VAL A 75 6.965 -19.467 -14.813 1.00 73.52 H new ATOM 0 HG21 VAL A 75 5.545 -16.970 -15.940 1.00 4.13 H new ATOM 0 HG22 VAL A 75 4.702 -18.264 -15.056 1.00 4.13 H new ATOM 0 HG23 VAL A 75 4.575 -16.578 -14.500 1.00 4.13 H new ATOM 1173 N ILE A 76 7.479 -16.953 -11.031 1.00 62.53 N ATOM 1174 CA ILE A 76 8.617 -16.854 -10.126 1.00 11.04 C ATOM 1175 C ILE A 76 8.646 -18.025 -9.149 1.00 43.21 C ATOM 1176 O ILE A 76 9.714 -18.458 -8.717 1.00 72.32 O ATOM 1177 CB ILE A 76 8.589 -15.536 -9.329 1.00 33.21 C ATOM 1178 CG1 ILE A 76 8.584 -14.339 -10.282 1.00 11.14 C ATOM 1179 CG2 ILE A 76 9.779 -15.463 -8.384 1.00 34.23 C ATOM 1180 CD1 ILE A 76 8.464 -13.006 -9.576 1.00 73.14 C ATOM 0 H ILE A 76 6.873 -16.133 -11.038 1.00 62.53 H new ATOM 0 HA ILE A 76 9.515 -16.877 -10.744 1.00 11.04 H new ATOM 0 HB ILE A 76 7.676 -15.507 -8.734 1.00 33.21 H new ATOM 0 HG12 ILE A 76 9.502 -14.349 -10.870 1.00 11.14 H new ATOM 0 HG13 ILE A 76 7.756 -14.446 -10.983 1.00 11.14 H new ATOM 0 HG21 ILE A 76 9.745 -14.526 -7.828 1.00 34.23 H new ATOM 0 HG22 ILE A 76 9.742 -16.300 -7.687 1.00 34.23 H new ATOM 0 HG23 ILE A 76 10.704 -15.510 -8.959 1.00 34.23 H new ATOM 0 HD11 ILE A 76 8.467 -12.203 -10.313 1.00 73.14 H new ATOM 0 HD12 ILE A 76 7.533 -12.976 -9.010 1.00 73.14 H new ATOM 0 HD13 ILE A 76 9.306 -12.878 -8.896 1.00 73.14 H new ATOM 1192 N GLU A 77 7.466 -18.533 -8.807 1.00 43.11 N ATOM 1193 CA GLU A 77 7.358 -19.655 -7.882 1.00 53.20 C ATOM 1194 C GLU A 77 8.255 -20.809 -8.319 1.00 71.22 C ATOM 1195 O GLU A 77 8.816 -21.523 -7.487 1.00 43.55 O ATOM 1196 CB GLU A 77 5.906 -20.130 -7.789 1.00 40.54 C ATOM 1197 CG GLU A 77 4.942 -19.051 -7.325 1.00 34.35 C ATOM 1198 CD GLU A 77 5.067 -18.756 -5.842 1.00 72.34 C ATOM 1199 OE1 GLU A 77 4.680 -19.623 -5.031 1.00 31.22 O ATOM 1200 OE2 GLU A 77 5.551 -17.659 -5.494 1.00 70.31 O ATOM 0 H GLU A 77 6.573 -18.186 -9.156 1.00 43.11 H new ATOM 0 HA GLU A 77 7.685 -19.315 -6.899 1.00 53.20 H new ATOM 0 HB2 GLU A 77 5.588 -20.494 -8.766 1.00 40.54 H new ATOM 0 HB3 GLU A 77 5.852 -20.974 -7.101 1.00 40.54 H new ATOM 0 HG2 GLU A 77 5.126 -18.137 -7.890 1.00 34.35 H new ATOM 0 HG3 GLU A 77 3.921 -19.362 -7.545 1.00 34.35 H new ATOM 1207 N ASP A 78 8.384 -20.987 -9.629 1.00 41.33 N ATOM 1208 CA ASP A 78 9.213 -22.054 -10.178 1.00 51.43 C ATOM 1209 C ASP A 78 10.635 -21.974 -9.631 1.00 54.51 C ATOM 1210 O ASP A 78 11.302 -22.993 -9.459 1.00 1.14 O ATOM 1211 CB ASP A 78 9.236 -21.976 -11.706 1.00 31.04 C ATOM 1212 CG ASP A 78 7.944 -22.465 -12.330 1.00 33.13 C ATOM 1213 OD1 ASP A 78 7.445 -23.529 -11.906 1.00 11.24 O ATOM 1214 OD2 ASP A 78 7.431 -21.784 -13.242 1.00 13.34 O ATOM 0 H ASP A 78 7.925 -20.406 -10.331 1.00 41.33 H new ATOM 0 HA ASP A 78 8.780 -23.008 -9.877 1.00 51.43 H new ATOM 0 HB2 ASP A 78 9.416 -20.945 -12.012 1.00 31.04 H new ATOM 0 HB3 ASP A 78 10.067 -22.571 -12.085 1.00 31.04 H new ATOM 1219 N ALA A 79 11.092 -20.755 -9.361 1.00 75.11 N ATOM 1220 CA ALA A 79 12.433 -20.542 -8.833 1.00 22.12 C ATOM 1221 C ALA A 79 12.669 -21.379 -7.580 1.00 65.44 C ATOM 1222 O ALA A 79 13.645 -22.125 -7.495 1.00 4.12 O ATOM 1223 CB ALA A 79 12.654 -19.067 -8.533 1.00 44.11 C ATOM 0 H ALA A 79 10.553 -19.900 -9.500 1.00 75.11 H new ATOM 0 HA ALA A 79 13.149 -20.859 -9.591 1.00 22.12 H new ATOM 0 HB1 ALA A 79 13.660 -18.923 -8.139 1.00 44.11 H new ATOM 0 HB2 ALA A 79 12.536 -18.488 -9.449 1.00 44.11 H new ATOM 0 HB3 ALA A 79 11.924 -18.732 -7.796 1.00 44.11 H new ATOM 1229 N VAL A 80 11.770 -21.251 -6.610 1.00 21.10 N ATOM 1230 CA VAL A 80 11.881 -21.997 -5.362 1.00 13.52 C ATOM 1231 C VAL A 80 11.340 -23.413 -5.518 1.00 62.51 C ATOM 1232 O VAL A 80 11.804 -24.342 -4.856 1.00 72.22 O ATOM 1233 CB VAL A 80 11.124 -21.293 -4.219 1.00 60.43 C ATOM 1234 CG1 VAL A 80 9.625 -21.322 -4.474 1.00 72.14 C ATOM 1235 CG2 VAL A 80 11.458 -21.939 -2.883 1.00 21.00 C ATOM 0 H VAL A 80 10.957 -20.638 -6.664 1.00 21.10 H new ATOM 0 HA VAL A 80 12.941 -22.042 -5.113 1.00 13.52 H new ATOM 0 HB VAL A 80 11.442 -20.251 -4.183 1.00 60.43 H new ATOM 0 HG11 VAL A 80 9.107 -20.820 -3.657 1.00 72.14 H new ATOM 0 HG12 VAL A 80 9.405 -20.810 -5.411 1.00 72.14 H new ATOM 0 HG13 VAL A 80 9.287 -22.356 -4.537 1.00 72.14 H new ATOM 0 HG21 VAL A 80 10.915 -21.430 -2.087 1.00 21.00 H new ATOM 0 HG22 VAL A 80 11.169 -22.990 -2.905 1.00 21.00 H new ATOM 0 HG23 VAL A 80 12.530 -21.861 -2.699 1.00 21.00 H new ATOM 1245 N ASP A 81 10.358 -23.572 -6.398 1.00 73.11 N ATOM 1246 CA ASP A 81 9.754 -24.877 -6.643 1.00 42.23 C ATOM 1247 C ASP A 81 10.820 -25.913 -6.987 1.00 1.41 C ATOM 1248 O ASP A 81 10.643 -27.106 -6.743 1.00 22.34 O ATOM 1249 CB ASP A 81 8.731 -24.784 -7.777 1.00 22.35 C ATOM 1250 CG ASP A 81 7.969 -26.080 -7.975 1.00 51.45 C ATOM 1251 OD1 ASP A 81 7.295 -26.523 -7.023 1.00 15.02 O ATOM 1252 OD2 ASP A 81 8.048 -26.651 -9.084 1.00 15.53 O ATOM 0 H ASP A 81 9.963 -22.814 -6.954 1.00 73.11 H new ATOM 0 HA ASP A 81 9.247 -25.193 -5.731 1.00 42.23 H new ATOM 0 HB2 ASP A 81 8.026 -23.980 -7.562 1.00 22.35 H new ATOM 0 HB3 ASP A 81 9.242 -24.521 -8.703 1.00 22.35 H new ATOM 1257 N LYS A 82 11.927 -25.448 -7.556 1.00 62.33 N ATOM 1258 CA LYS A 82 13.023 -26.333 -7.934 1.00 71.01 C ATOM 1259 C LYS A 82 13.556 -27.088 -6.720 1.00 51.15 C ATOM 1260 O LYS A 82 14.022 -28.221 -6.837 1.00 72.55 O ATOM 1261 CB LYS A 82 14.152 -25.531 -8.585 1.00 71.14 C ATOM 1262 CG LYS A 82 14.257 -25.737 -10.087 1.00 33.24 C ATOM 1263 CD LYS A 82 13.232 -24.902 -10.837 1.00 24.41 C ATOM 1264 CE LYS A 82 13.705 -23.468 -11.015 1.00 44.14 C ATOM 1265 NZ LYS A 82 14.761 -23.358 -12.060 1.00 54.25 N ATOM 0 H LYS A 82 12.089 -24.463 -7.766 1.00 62.33 H new ATOM 0 HA LYS A 82 12.640 -27.058 -8.652 1.00 71.01 H new ATOM 0 HB2 LYS A 82 13.997 -24.471 -8.382 1.00 71.14 H new ATOM 0 HB3 LYS A 82 15.098 -25.810 -8.121 1.00 71.14 H new ATOM 0 HG2 LYS A 82 15.260 -25.472 -10.422 1.00 33.24 H new ATOM 0 HG3 LYS A 82 14.111 -26.791 -10.322 1.00 33.24 H new ATOM 0 HD2 LYS A 82 13.042 -25.348 -11.813 1.00 24.41 H new ATOM 0 HD3 LYS A 82 12.287 -24.910 -10.294 1.00 24.41 H new ATOM 0 HE2 LYS A 82 12.858 -22.837 -11.286 1.00 44.14 H new ATOM 0 HE3 LYS A 82 14.091 -23.093 -10.067 1.00 44.14 H new ATOM 0 HZ1 LYS A 82 14.750 -22.400 -12.466 1.00 54.25 H new ATOM 0 HZ2 LYS A 82 15.692 -23.542 -11.634 1.00 54.25 H new ATOM 0 HZ3 LYS A 82 14.580 -24.054 -12.811 1.00 54.25 H new ATOM 1279 N PHE A 83 13.483 -26.453 -5.555 1.00 51.24 N ATOM 1280 CA PHE A 83 13.958 -27.065 -4.320 1.00 13.00 C ATOM 1281 C PHE A 83 13.114 -28.283 -3.957 1.00 75.22 C ATOM 1282 O PHE A 83 13.625 -29.274 -3.435 1.00 24.41 O ATOM 1283 CB PHE A 83 13.924 -26.049 -3.177 1.00 5.43 C ATOM 1284 CG PHE A 83 14.873 -26.373 -2.058 1.00 63.05 C ATOM 1285 CD1 PHE A 83 14.578 -27.377 -1.150 1.00 55.24 C ATOM 1286 CD2 PHE A 83 16.061 -25.674 -1.915 1.00 51.32 C ATOM 1287 CE1 PHE A 83 15.449 -27.678 -0.120 1.00 73.14 C ATOM 1288 CE2 PHE A 83 16.936 -25.971 -0.888 1.00 0.24 C ATOM 1289 CZ PHE A 83 16.629 -26.973 0.012 1.00 60.34 C ATOM 0 H PHE A 83 13.099 -25.515 -5.440 1.00 51.24 H new ATOM 0 HA PHE A 83 14.986 -27.391 -4.477 1.00 13.00 H new ATOM 0 HB2 PHE A 83 14.164 -25.062 -3.572 1.00 5.43 H new ATOM 0 HB3 PHE A 83 12.911 -25.995 -2.779 1.00 5.43 H new ATOM 0 HD1 PHE A 83 13.656 -27.931 -1.248 1.00 55.24 H new ATOM 0 HD2 PHE A 83 16.306 -24.888 -2.614 1.00 51.32 H new ATOM 0 HE1 PHE A 83 15.207 -28.463 0.581 1.00 73.14 H new ATOM 0 HE2 PHE A 83 17.860 -25.420 -0.789 1.00 0.24 H new ATOM 0 HZ PHE A 83 17.310 -27.205 0.817 1.00 60.34 H new ATOM 1299 N LEU A 84 11.818 -28.202 -4.237 1.00 55.22 N ATOM 1300 CA LEU A 84 10.900 -29.297 -3.940 1.00 44.25 C ATOM 1301 C LEU A 84 11.095 -30.451 -4.919 1.00 5.32 C ATOM 1302 O LEU A 84 10.759 -31.596 -4.619 1.00 21.41 O ATOM 1303 CB LEU A 84 9.453 -28.805 -3.996 1.00 70.21 C ATOM 1304 CG LEU A 84 9.169 -27.474 -3.300 1.00 42.41 C ATOM 1305 CD1 LEU A 84 7.765 -26.989 -3.627 1.00 21.12 C ATOM 1306 CD2 LEU A 84 9.352 -27.609 -1.795 1.00 41.34 C ATOM 0 H LEU A 84 11.379 -27.389 -4.669 1.00 55.22 H new ATOM 0 HA LEU A 84 11.116 -29.657 -2.934 1.00 44.25 H new ATOM 0 HB2 LEU A 84 9.162 -28.714 -5.042 1.00 70.21 H new ATOM 0 HB3 LEU A 84 8.814 -29.568 -3.552 1.00 70.21 H new ATOM 0 HG LEU A 84 9.881 -26.735 -3.667 1.00 42.41 H new ATOM 0 HD11 LEU A 84 7.581 -26.040 -3.123 1.00 21.12 H new ATOM 0 HD12 LEU A 84 7.669 -26.852 -4.704 1.00 21.12 H new ATOM 0 HD13 LEU A 84 7.037 -27.727 -3.289 1.00 21.12 H new ATOM 0 HD21 LEU A 84 9.146 -26.652 -1.316 1.00 41.34 H new ATOM 0 HD22 LEU A 84 8.664 -28.363 -1.411 1.00 41.34 H new ATOM 0 HD23 LEU A 84 10.377 -27.909 -1.579 1.00 41.34 H new ATOM 1318 N VAL A 85 11.643 -30.141 -6.090 1.00 2.13 N ATOM 1319 CA VAL A 85 11.887 -31.152 -7.111 1.00 74.33 C ATOM 1320 C VAL A 85 13.116 -31.988 -6.775 1.00 63.30 C ATOM 1321 O VAL A 85 13.243 -33.130 -7.217 1.00 61.14 O ATOM 1322 CB VAL A 85 12.078 -30.513 -8.500 1.00 30.14 C ATOM 1323 CG1 VAL A 85 12.408 -31.576 -9.536 1.00 64.11 C ATOM 1324 CG2 VAL A 85 10.836 -29.732 -8.902 1.00 30.22 C ATOM 0 H VAL A 85 11.926 -29.198 -6.355 1.00 2.13 H new ATOM 0 HA VAL A 85 11.008 -31.797 -7.134 1.00 74.33 H new ATOM 0 HB VAL A 85 12.916 -29.818 -8.449 1.00 30.14 H new ATOM 0 HG11 VAL A 85 12.539 -31.106 -10.511 1.00 64.11 H new ATOM 0 HG12 VAL A 85 13.328 -32.087 -9.253 1.00 64.11 H new ATOM 0 HG13 VAL A 85 11.593 -32.298 -9.588 1.00 64.11 H new ATOM 0 HG21 VAL A 85 10.988 -29.287 -9.885 1.00 30.22 H new ATOM 0 HG22 VAL A 85 9.979 -30.404 -8.937 1.00 30.22 H new ATOM 0 HG23 VAL A 85 10.650 -28.944 -8.172 1.00 30.22 H new ATOM 1334 N ARG A 86 14.020 -31.412 -5.989 1.00 51.01 N ATOM 1335 CA ARG A 86 15.241 -32.104 -5.594 1.00 13.25 C ATOM 1336 C ARG A 86 15.014 -32.926 -4.329 1.00 31.54 C ATOM 1337 O ARG A 86 15.273 -34.130 -4.303 1.00 52.31 O ATOM 1338 CB ARG A 86 16.371 -31.098 -5.365 1.00 72.41 C ATOM 1339 CG ARG A 86 17.608 -31.707 -4.725 1.00 34.32 C ATOM 1340 CD ARG A 86 18.858 -31.412 -5.538 1.00 4.03 C ATOM 1341 NE ARG A 86 19.997 -32.215 -5.101 1.00 62.52 N ATOM 1342 CZ ARG A 86 21.067 -32.445 -5.855 1.00 12.42 C ATOM 1343 NH1 ARG A 86 21.144 -31.933 -7.076 1.00 34.33 N ATOM 1344 NH2 ARG A 86 22.063 -33.186 -5.387 1.00 71.12 N ATOM 0 H ARG A 86 13.930 -30.468 -5.613 1.00 51.01 H new ATOM 0 HA ARG A 86 15.523 -32.780 -6.401 1.00 13.25 H new ATOM 0 HB2 ARG A 86 16.648 -30.652 -6.320 1.00 72.41 H new ATOM 0 HB3 ARG A 86 16.004 -30.291 -4.731 1.00 72.41 H new ATOM 0 HG2 ARG A 86 17.728 -31.314 -3.716 1.00 34.32 H new ATOM 0 HG3 ARG A 86 17.478 -32.785 -4.633 1.00 34.32 H new ATOM 0 HD2 ARG A 86 18.660 -31.608 -6.592 1.00 4.03 H new ATOM 0 HD3 ARG A 86 19.106 -30.354 -5.451 1.00 4.03 H new ATOM 0 HE ARG A 86 19.970 -32.622 -4.166 1.00 62.52 H new ATOM 0 HH11 ARG A 86 20.381 -31.361 -7.438 1.00 34.33 H new ATOM 0 HH12 ARG A 86 21.966 -32.111 -7.653 1.00 34.33 H new ATOM 0 HH21 ARG A 86 22.008 -33.580 -4.448 1.00 71.12 H new ATOM 0 HH22 ARG A 86 22.884 -33.362 -5.967 1.00 71.12 H new ATOM 1358 N VAL A 87 14.529 -32.269 -3.280 1.00 41.30 N ATOM 1359 CA VAL A 87 14.267 -32.939 -2.012 1.00 12.41 C ATOM 1360 C VAL A 87 13.334 -34.130 -2.202 1.00 44.31 C ATOM 1361 O VAL A 87 13.463 -35.148 -1.521 1.00 41.31 O ATOM 1362 CB VAL A 87 13.646 -31.973 -0.985 1.00 75.21 C ATOM 1363 CG1 VAL A 87 14.609 -30.840 -0.667 1.00 55.51 C ATOM 1364 CG2 VAL A 87 12.321 -31.430 -1.499 1.00 33.01 C ATOM 0 H VAL A 87 14.310 -31.273 -3.284 1.00 41.30 H new ATOM 0 HA VAL A 87 15.228 -33.290 -1.635 1.00 12.41 H new ATOM 0 HB VAL A 87 13.454 -32.523 -0.064 1.00 75.21 H new ATOM 0 HG11 VAL A 87 14.153 -30.168 0.060 1.00 55.51 H new ATOM 0 HG12 VAL A 87 15.530 -31.251 -0.254 1.00 55.51 H new ATOM 0 HG13 VAL A 87 14.835 -30.288 -1.579 1.00 55.51 H new ATOM 0 HG21 VAL A 87 11.896 -30.749 -0.761 1.00 33.01 H new ATOM 0 HG22 VAL A 87 12.485 -30.895 -2.434 1.00 33.01 H new ATOM 0 HG23 VAL A 87 11.631 -32.256 -1.670 1.00 33.01 H new ATOM 1374 N HIS A 88 12.395 -33.996 -3.133 1.00 31.10 N ATOM 1375 CA HIS A 88 11.440 -35.063 -3.414 1.00 44.53 C ATOM 1376 C HIS A 88 12.149 -36.292 -3.974 1.00 20.55 C ATOM 1377 O HIS A 88 11.581 -37.383 -4.015 1.00 23.11 O ATOM 1378 CB HIS A 88 10.379 -34.578 -4.402 1.00 52.12 C ATOM 1379 CG HIS A 88 9.219 -33.893 -3.747 1.00 41.01 C ATOM 1380 ND1 HIS A 88 8.230 -33.244 -4.456 1.00 2.13 N ATOM 1381 CD2 HIS A 88 8.893 -33.760 -2.440 1.00 54.23 C ATOM 1382 CE1 HIS A 88 7.347 -32.740 -3.613 1.00 54.51 C ATOM 1383 NE2 HIS A 88 7.725 -33.039 -2.384 1.00 2.04 N ATOM 0 H HIS A 88 12.275 -33.160 -3.705 1.00 31.10 H new ATOM 0 HA HIS A 88 10.955 -35.340 -2.478 1.00 44.53 H new ATOM 0 HB2 HIS A 88 10.842 -33.892 -5.112 1.00 52.12 H new ATOM 0 HB3 HIS A 88 10.011 -35.429 -4.975 1.00 52.12 H new ATOM 0 HD2 HIS A 88 9.448 -34.148 -1.598 1.00 54.23 H new ATOM 0 HE1 HIS A 88 6.465 -32.178 -3.883 1.00 54.51 H new ATOM 0 HE2 HIS A 88 7.230 -32.777 -1.531 1.00 2.04 H new ATOM 1391 N GLY A 89 13.394 -36.108 -4.404 1.00 34.22 N ATOM 1392 CA GLY A 89 14.159 -37.211 -4.956 1.00 13.03 C ATOM 1393 C GLY A 89 13.891 -37.420 -6.433 1.00 22.21 C ATOM 1394 O GLY A 89 14.172 -38.488 -6.977 1.00 60.30 O ATOM 0 H GLY A 89 13.886 -35.215 -4.380 1.00 34.22 H new ATOM 0 HA2 GLY A 89 15.222 -37.023 -4.806 1.00 13.03 H new ATOM 0 HA3 GLY A 89 13.917 -38.125 -4.413 1.00 13.03 H new ATOM 1398 N VAL A 90 13.345 -36.398 -7.084 1.00 71.45 N ATOM 1399 CA VAL A 90 13.039 -36.475 -8.508 1.00 35.31 C ATOM 1400 C VAL A 90 14.118 -35.792 -9.340 1.00 13.40 C ATOM 1401 O VAL A 90 14.651 -34.754 -8.950 1.00 12.51 O ATOM 1402 CB VAL A 90 11.676 -35.830 -8.824 1.00 61.34 C ATOM 1403 CG1 VAL A 90 11.371 -35.928 -10.311 1.00 62.43 C ATOM 1404 CG2 VAL A 90 10.575 -36.482 -8.002 1.00 12.12 C ATOM 0 H VAL A 90 13.105 -35.507 -6.649 1.00 71.45 H new ATOM 0 HA VAL A 90 13.001 -37.533 -8.767 1.00 35.31 H new ATOM 0 HB VAL A 90 11.722 -34.775 -8.555 1.00 61.34 H new ATOM 0 HG11 VAL A 90 10.405 -35.467 -10.515 1.00 62.43 H new ATOM 0 HG12 VAL A 90 12.146 -35.411 -10.876 1.00 62.43 H new ATOM 0 HG13 VAL A 90 11.343 -36.976 -10.608 1.00 62.43 H new ATOM 0 HG21 VAL A 90 9.619 -36.014 -8.238 1.00 12.12 H new ATOM 0 HG22 VAL A 90 10.526 -37.545 -8.237 1.00 12.12 H new ATOM 0 HG23 VAL A 90 10.789 -36.355 -6.941 1.00 12.12 H new ATOM 1414 N GLU A 91 14.434 -36.381 -10.489 1.00 31.33 N ATOM 1415 CA GLU A 91 15.450 -35.828 -11.376 1.00 24.31 C ATOM 1416 C GLU A 91 15.177 -34.355 -11.665 1.00 72.24 C ATOM 1417 O GLU A 91 14.048 -33.874 -11.558 1.00 25.54 O ATOM 1418 CB GLU A 91 15.499 -36.617 -12.687 1.00 14.55 C ATOM 1419 CG GLU A 91 14.127 -36.923 -13.263 1.00 74.31 C ATOM 1420 CD GLU A 91 14.152 -37.093 -14.770 1.00 34.23 C ATOM 1421 OE1 GLU A 91 14.063 -36.073 -15.484 1.00 4.21 O ATOM 1422 OE2 GLU A 91 14.260 -38.248 -15.234 1.00 52.52 O ATOM 0 H GLU A 91 14.001 -37.241 -10.827 1.00 31.33 H new ATOM 0 HA GLU A 91 16.415 -35.909 -10.876 1.00 24.31 H new ATOM 0 HB2 GLU A 91 16.074 -36.052 -13.420 1.00 14.55 H new ATOM 0 HB3 GLU A 91 16.030 -37.554 -12.518 1.00 14.55 H new ATOM 0 HG2 GLU A 91 13.739 -37.833 -12.805 1.00 74.31 H new ATOM 0 HG3 GLU A 91 13.440 -36.118 -13.003 1.00 74.31 H new ATOM 1429 N PRO A 92 16.234 -33.620 -12.041 1.00 71.35 N ATOM 1430 CA PRO A 92 16.134 -32.192 -12.354 1.00 52.42 C ATOM 1431 C PRO A 92 15.370 -31.934 -13.649 1.00 2.34 C ATOM 1432 O PRO A 92 15.367 -32.767 -14.555 1.00 40.31 O ATOM 1433 CB PRO A 92 17.594 -31.757 -12.499 1.00 64.13 C ATOM 1434 CG PRO A 92 18.323 -32.999 -12.882 1.00 31.14 C ATOM 1435 CD PRO A 92 17.608 -34.128 -12.191 1.00 2.41 C ATOM 0 HA PRO A 92 15.586 -31.644 -11.587 1.00 52.42 H new ATOM 0 HB2 PRO A 92 17.703 -30.984 -13.259 1.00 64.13 H new ATOM 0 HB3 PRO A 92 17.979 -31.344 -11.567 1.00 64.13 H new ATOM 0 HG2 PRO A 92 18.318 -33.137 -13.963 1.00 31.14 H new ATOM 0 HG3 PRO A 92 19.367 -32.950 -12.572 1.00 31.14 H new ATOM 0 HD2 PRO A 92 17.636 -35.043 -12.782 1.00 2.41 H new ATOM 0 HD3 PRO A 92 18.059 -34.358 -11.226 1.00 2.41 H new ATOM 1443 N ASP A 93 14.725 -30.775 -13.728 1.00 74.43 N ATOM 1444 CA ASP A 93 13.958 -30.407 -14.913 1.00 63.11 C ATOM 1445 C ASP A 93 14.394 -29.043 -15.439 1.00 73.05 C ATOM 1446 O ASP A 93 14.286 -28.034 -14.742 1.00 74.21 O ATOM 1447 CB ASP A 93 12.462 -30.391 -14.595 1.00 5.04 C ATOM 1448 CG ASP A 93 11.808 -31.739 -14.822 1.00 33.34 C ATOM 1449 OD1 ASP A 93 12.007 -32.320 -15.909 1.00 41.40 O ATOM 1450 OD2 ASP A 93 11.095 -32.214 -13.912 1.00 50.12 O ATOM 0 H ASP A 93 14.718 -30.075 -12.986 1.00 74.43 H new ATOM 0 HA ASP A 93 14.148 -31.153 -15.685 1.00 63.11 H new ATOM 0 HB2 ASP A 93 12.317 -30.090 -13.557 1.00 5.04 H new ATOM 0 HB3 ASP A 93 11.970 -29.642 -15.216 1.00 5.04 H new ATOM 1455 N ASP A 94 14.887 -29.021 -16.673 1.00 13.52 N ATOM 1456 CA ASP A 94 15.339 -27.780 -17.293 1.00 33.51 C ATOM 1457 C ASP A 94 14.334 -27.296 -18.334 1.00 2.33 C ATOM 1458 O ASP A 94 13.753 -26.220 -18.196 1.00 22.22 O ATOM 1459 CB ASP A 94 16.709 -27.980 -17.943 1.00 31.13 C ATOM 1460 CG ASP A 94 17.262 -26.698 -18.532 1.00 44.32 C ATOM 1461 OD1 ASP A 94 17.098 -25.634 -17.899 1.00 4.23 O ATOM 1462 OD2 ASP A 94 17.860 -26.758 -19.627 1.00 24.14 O ATOM 0 H ASP A 94 14.984 -29.847 -17.263 1.00 13.52 H new ATOM 0 HA ASP A 94 15.422 -27.022 -16.514 1.00 33.51 H new ATOM 0 HB2 ASP A 94 17.407 -28.366 -17.201 1.00 31.13 H new ATOM 0 HB3 ASP A 94 16.629 -28.732 -18.728 1.00 31.13 H new ATOM 1467 N ASN A 95 14.136 -28.097 -19.375 1.00 50.15 N ATOM 1468 CA ASN A 95 13.203 -27.749 -20.441 1.00 11.42 C ATOM 1469 C ASN A 95 11.825 -27.423 -19.872 1.00 41.12 C ATOM 1470 O ASN A 95 11.116 -26.558 -20.388 1.00 5.53 O ATOM 1471 CB ASN A 95 13.094 -28.896 -21.447 1.00 35.33 C ATOM 1472 CG ASN A 95 14.440 -29.289 -22.024 1.00 54.04 C ATOM 1473 OD1 ASN A 95 15.213 -30.008 -21.392 1.00 30.30 O ATOM 1474 ND2 ASN A 95 14.725 -28.817 -23.232 1.00 44.41 N ATOM 0 H ASN A 95 14.609 -28.992 -19.504 1.00 50.15 H new ATOM 0 HA ASN A 95 13.585 -26.864 -20.950 1.00 11.42 H new ATOM 0 HB2 ASN A 95 12.644 -29.761 -20.960 1.00 35.33 H new ATOM 0 HB3 ASN A 95 12.426 -28.603 -22.257 1.00 35.33 H new ATOM 0 HD21 ASN A 95 15.616 -29.048 -23.673 1.00 44.41 H new ATOM 0 HD22 ASN A 95 14.053 -28.224 -23.719 1.00 44.41 H new ATOM 1481 N THR A 96 11.451 -28.122 -18.805 1.00 72.01 N ATOM 1482 CA THR A 96 10.158 -27.908 -18.166 1.00 64.42 C ATOM 1483 C THR A 96 10.014 -26.469 -17.685 1.00 23.22 C ATOM 1484 O THR A 96 8.904 -25.953 -17.566 1.00 20.03 O ATOM 1485 CB THR A 96 9.958 -28.860 -16.971 1.00 43.24 C ATOM 1486 OG1 THR A 96 10.569 -30.126 -17.246 1.00 11.34 O ATOM 1487 CG2 THR A 96 8.479 -29.057 -16.679 1.00 75.51 C ATOM 0 H THR A 96 12.025 -28.841 -18.365 1.00 72.01 H new ATOM 0 HA THR A 96 9.396 -28.115 -18.917 1.00 64.42 H new ATOM 0 HB THR A 96 10.428 -28.413 -16.095 1.00 43.24 H new ATOM 0 HG1 THR A 96 10.080 -30.834 -16.777 1.00 11.34 H new ATOM 0 HG21 THR A 96 8.362 -29.733 -15.832 1.00 75.51 H new ATOM 0 HG22 THR A 96 8.024 -28.095 -16.442 1.00 75.51 H new ATOM 0 HG23 THR A 96 7.989 -29.484 -17.554 1.00 75.51 H new ATOM 1495 N ASN A 97 11.144 -25.826 -17.410 1.00 25.00 N ATOM 1496 CA ASN A 97 11.143 -24.445 -16.941 1.00 44.14 C ATOM 1497 C ASN A 97 10.539 -23.515 -17.990 1.00 23.34 C ATOM 1498 O ASN A 97 9.989 -22.465 -17.660 1.00 64.32 O ATOM 1499 CB ASN A 97 12.567 -23.997 -16.606 1.00 65.03 C ATOM 1500 CG ASN A 97 12.601 -22.946 -15.513 1.00 60.43 C ATOM 1501 OD1 ASN A 97 12.619 -21.747 -15.790 1.00 41.12 O ATOM 1502 ND2 ASN A 97 12.610 -23.394 -14.263 1.00 13.30 N ATOM 0 H ASN A 97 12.072 -26.239 -17.504 1.00 25.00 H new ATOM 0 HA ASN A 97 10.532 -24.394 -16.040 1.00 44.14 H new ATOM 0 HB2 ASN A 97 13.153 -24.861 -16.293 1.00 65.03 H new ATOM 0 HB3 ASN A 97 13.040 -23.599 -17.504 1.00 65.03 H new ATOM 0 HD21 ASN A 97 12.633 -22.735 -13.485 1.00 13.30 H new ATOM 0 HD22 ASN A 97 12.594 -24.397 -14.081 1.00 13.30 H new ATOM 1509 N GLY A 98 10.646 -23.910 -19.255 1.00 34.22 N ATOM 1510 CA GLY A 98 10.105 -23.102 -20.332 1.00 42.21 C ATOM 1511 C GLY A 98 10.678 -21.699 -20.348 1.00 5.32 C ATOM 1512 O GLY A 98 9.958 -20.729 -20.586 1.00 5.35 O ATOM 0 H GLY A 98 11.097 -24.775 -19.553 1.00 34.22 H new ATOM 0 HA2 GLY A 98 10.313 -23.587 -21.286 1.00 42.21 H new ATOM 0 HA3 GLY A 98 9.021 -23.047 -20.232 1.00 42.21 H new ATOM 1516 N PHE A 99 11.978 -21.589 -20.092 1.00 70.34 N ATOM 1517 CA PHE A 99 12.647 -20.294 -20.075 1.00 43.25 C ATOM 1518 C PHE A 99 12.593 -19.635 -21.451 1.00 31.50 C ATOM 1519 O PHE A 99 12.660 -18.412 -21.570 1.00 1.12 O ATOM 1520 CB PHE A 99 14.103 -20.454 -19.631 1.00 52.25 C ATOM 1521 CG PHE A 99 14.789 -19.149 -19.344 1.00 52.22 C ATOM 1522 CD1 PHE A 99 14.159 -18.171 -18.591 1.00 71.11 C ATOM 1523 CD2 PHE A 99 16.064 -18.900 -19.827 1.00 35.14 C ATOM 1524 CE1 PHE A 99 14.788 -16.969 -18.326 1.00 74.20 C ATOM 1525 CE2 PHE A 99 16.698 -17.700 -19.564 1.00 75.14 C ATOM 1526 CZ PHE A 99 16.059 -16.734 -18.812 1.00 51.12 C ATOM 0 H PHE A 99 12.589 -22.382 -19.894 1.00 70.34 H new ATOM 0 HA PHE A 99 12.125 -19.653 -19.364 1.00 43.25 H new ATOM 0 HB2 PHE A 99 14.136 -21.077 -18.737 1.00 52.25 H new ATOM 0 HB3 PHE A 99 14.655 -20.983 -20.408 1.00 52.25 H new ATOM 0 HD1 PHE A 99 13.166 -18.350 -18.207 1.00 71.11 H new ATOM 0 HD2 PHE A 99 16.568 -19.652 -20.416 1.00 35.14 H new ATOM 0 HE1 PHE A 99 14.286 -16.214 -17.739 1.00 74.20 H new ATOM 0 HE2 PHE A 99 17.692 -17.518 -19.946 1.00 75.14 H new ATOM 0 HZ PHE A 99 16.553 -15.796 -18.604 1.00 51.12 H new ATOM 1536 N LYS A 100 12.471 -20.456 -22.489 1.00 22.33 N ATOM 1537 CA LYS A 100 12.407 -19.956 -23.857 1.00 32.52 C ATOM 1538 C LYS A 100 11.261 -18.962 -24.020 1.00 24.44 C ATOM 1539 O LYS A 100 11.466 -17.831 -24.458 1.00 31.14 O ATOM 1540 CB LYS A 100 12.232 -21.118 -24.838 1.00 52.42 C ATOM 1541 CG LYS A 100 13.241 -22.236 -24.644 1.00 2.23 C ATOM 1542 CD LYS A 100 13.159 -23.262 -25.761 1.00 42.25 C ATOM 1543 CE LYS A 100 12.173 -24.371 -25.429 1.00 1.03 C ATOM 1544 NZ LYS A 100 10.779 -24.005 -25.804 1.00 63.23 N ATOM 0 H LYS A 100 12.414 -21.471 -22.408 1.00 22.33 H new ATOM 0 HA LYS A 100 13.344 -19.442 -24.074 1.00 32.52 H new ATOM 0 HB2 LYS A 100 11.227 -21.525 -24.730 1.00 52.42 H new ATOM 0 HB3 LYS A 100 12.315 -20.738 -25.856 1.00 52.42 H new ATOM 0 HG2 LYS A 100 14.247 -21.817 -24.607 1.00 2.23 H new ATOM 0 HG3 LYS A 100 13.064 -22.725 -23.686 1.00 2.23 H new ATOM 0 HD2 LYS A 100 12.857 -22.771 -26.686 1.00 42.25 H new ATOM 0 HD3 LYS A 100 14.146 -23.691 -25.935 1.00 42.25 H new ATOM 0 HE2 LYS A 100 12.462 -25.283 -25.952 1.00 1.03 H new ATOM 0 HE3 LYS A 100 12.217 -24.588 -24.362 1.00 1.03 H new ATOM 0 HZ1 LYS A 100 10.230 -24.869 -25.985 1.00 63.23 H new ATOM 0 HZ2 LYS A 100 10.339 -23.472 -25.027 1.00 63.23 H new ATOM 0 HZ3 LYS A 100 10.793 -23.418 -26.662 1.00 63.23 H new ATOM 1558 N GLY A 101 10.055 -19.393 -23.662 1.00 51.44 N ATOM 1559 CA GLY A 101 8.895 -18.527 -23.775 1.00 64.32 C ATOM 1560 C GLY A 101 8.763 -17.580 -22.600 1.00 15.34 C ATOM 1561 O GLY A 101 8.289 -16.453 -22.751 1.00 44.43 O ATOM 0 H GLY A 101 9.861 -20.325 -23.296 1.00 51.44 H new ATOM 0 HA2 GLY A 101 8.965 -17.950 -24.697 1.00 64.32 H new ATOM 0 HA3 GLY A 101 7.995 -19.138 -23.849 1.00 64.32 H new ATOM 1565 N LEU A 102 9.179 -18.036 -21.424 1.00 30.52 N ATOM 1566 CA LEU A 102 9.103 -17.222 -20.216 1.00 12.20 C ATOM 1567 C LEU A 102 9.996 -15.991 -20.332 1.00 24.20 C ATOM 1568 O LEU A 102 9.569 -14.873 -20.046 1.00 44.15 O ATOM 1569 CB LEU A 102 9.509 -18.047 -18.994 1.00 34.52 C ATOM 1570 CG LEU A 102 9.146 -17.454 -17.632 1.00 42.42 C ATOM 1571 CD1 LEU A 102 10.052 -16.276 -17.305 1.00 72.33 C ATOM 1572 CD2 LEU A 102 7.685 -17.028 -17.608 1.00 4.04 C ATOM 0 H LEU A 102 9.573 -18.966 -21.281 1.00 30.52 H new ATOM 0 HA LEU A 102 8.072 -16.890 -20.096 1.00 12.20 H new ATOM 0 HB2 LEU A 102 9.046 -19.030 -19.075 1.00 34.52 H new ATOM 0 HB3 LEU A 102 10.588 -18.199 -19.026 1.00 34.52 H new ATOM 0 HG LEU A 102 9.292 -18.221 -16.872 1.00 42.42 H new ATOM 0 HD11 LEU A 102 9.779 -15.866 -16.332 1.00 72.33 H new ATOM 0 HD12 LEU A 102 11.089 -16.611 -17.280 1.00 72.33 H new ATOM 0 HD13 LEU A 102 9.937 -15.506 -18.068 1.00 72.33 H new ATOM 0 HD21 LEU A 102 7.444 -16.608 -16.631 1.00 4.04 H new ATOM 0 HD22 LEU A 102 7.512 -16.276 -18.378 1.00 4.04 H new ATOM 0 HD23 LEU A 102 7.050 -17.894 -17.797 1.00 4.04 H new ATOM 1584 N MET A 103 11.238 -16.206 -20.755 1.00 0.42 N ATOM 1585 CA MET A 103 12.191 -15.113 -20.912 1.00 12.30 C ATOM 1586 C MET A 103 11.645 -14.048 -21.858 1.00 43.21 C ATOM 1587 O MET A 103 11.685 -12.855 -21.556 1.00 45.13 O ATOM 1588 CB MET A 103 13.526 -15.643 -21.438 1.00 32.31 C ATOM 1589 CG MET A 103 14.535 -14.550 -21.748 1.00 53.52 C ATOM 1590 SD MET A 103 15.107 -13.692 -20.269 1.00 34.13 S ATOM 1591 CE MET A 103 14.258 -12.124 -20.437 1.00 10.20 C ATOM 0 H MET A 103 11.607 -17.126 -20.995 1.00 0.42 H new ATOM 0 HA MET A 103 12.349 -14.659 -19.934 1.00 12.30 H new ATOM 0 HB2 MET A 103 13.954 -16.322 -20.700 1.00 32.31 H new ATOM 0 HB3 MET A 103 13.345 -16.226 -22.341 1.00 32.31 H new ATOM 0 HG2 MET A 103 15.390 -14.986 -22.264 1.00 53.52 H new ATOM 0 HG3 MET A 103 14.085 -13.829 -22.430 1.00 53.52 H new ATOM 0 HE1 MET A 103 14.877 -11.329 -20.023 1.00 10.20 H new ATOM 0 HE2 MET A 103 14.068 -11.924 -21.492 1.00 10.20 H new ATOM 0 HE3 MET A 103 13.311 -12.164 -19.899 1.00 10.20 H new ATOM 1601 N LYS A 104 11.136 -14.486 -23.004 1.00 72.14 N ATOM 1602 CA LYS A 104 10.581 -13.571 -23.995 1.00 61.31 C ATOM 1603 C LYS A 104 9.256 -12.989 -23.515 1.00 54.55 C ATOM 1604 O LYS A 104 8.861 -11.898 -23.928 1.00 1.42 O ATOM 1605 CB LYS A 104 10.380 -14.293 -25.330 1.00 1.14 C ATOM 1606 CG LYS A 104 11.562 -14.164 -26.275 1.00 21.33 C ATOM 1607 CD LYS A 104 12.821 -14.774 -25.680 1.00 14.51 C ATOM 1608 CE LYS A 104 13.908 -14.944 -26.730 1.00 54.31 C ATOM 1609 NZ LYS A 104 14.818 -16.078 -26.408 1.00 15.41 N ATOM 0 H LYS A 104 11.096 -15.470 -23.270 1.00 72.14 H new ATOM 0 HA LYS A 104 11.288 -12.753 -24.134 1.00 61.31 H new ATOM 0 HB2 LYS A 104 10.193 -15.349 -25.138 1.00 1.14 H new ATOM 0 HB3 LYS A 104 9.490 -13.895 -25.818 1.00 1.14 H new ATOM 0 HG2 LYS A 104 11.329 -14.656 -27.219 1.00 21.33 H new ATOM 0 HG3 LYS A 104 11.737 -13.112 -26.499 1.00 21.33 H new ATOM 0 HD2 LYS A 104 13.188 -14.139 -24.874 1.00 14.51 H new ATOM 0 HD3 LYS A 104 12.584 -15.743 -25.240 1.00 14.51 H new ATOM 0 HE2 LYS A 104 13.449 -15.112 -27.704 1.00 54.31 H new ATOM 0 HE3 LYS A 104 14.487 -14.024 -26.805 1.00 54.31 H new ATOM 0 HZ1 LYS A 104 15.545 -16.161 -27.147 1.00 15.41 H new ATOM 0 HZ2 LYS A 104 15.276 -15.906 -25.490 1.00 15.41 H new ATOM 0 HZ3 LYS A 104 14.270 -16.961 -26.361 1.00 15.41 H new ATOM 1623 N ARG A 105 8.574 -13.722 -22.642 1.00 15.22 N ATOM 1624 CA ARG A 105 7.293 -13.277 -22.106 1.00 54.12 C ATOM 1625 C ARG A 105 7.412 -11.882 -21.499 1.00 22.21 C ATOM 1626 O ARG A 105 6.602 -10.999 -21.780 1.00 15.42 O ATOM 1627 CB ARG A 105 6.787 -14.262 -21.051 1.00 72.53 C ATOM 1628 CG ARG A 105 5.384 -14.781 -21.325 1.00 3.33 C ATOM 1629 CD ARG A 105 5.188 -16.180 -20.764 1.00 24.43 C ATOM 1630 NE ARG A 105 5.384 -17.210 -21.781 1.00 35.01 N ATOM 1631 CZ ARG A 105 4.926 -18.452 -21.667 1.00 54.20 C ATOM 1632 NH1 ARG A 105 4.249 -18.816 -20.586 1.00 43.04 N ATOM 1633 NH2 ARG A 105 5.144 -19.332 -22.636 1.00 34.03 N ATOM 0 H ARG A 105 8.887 -14.627 -22.290 1.00 15.22 H new ATOM 0 HA ARG A 105 6.579 -13.237 -22.928 1.00 54.12 H new ATOM 0 HB2 ARG A 105 7.473 -15.107 -20.996 1.00 72.53 H new ATOM 0 HB3 ARG A 105 6.801 -13.776 -20.076 1.00 72.53 H new ATOM 0 HG2 ARG A 105 4.652 -14.105 -20.883 1.00 3.33 H new ATOM 0 HG3 ARG A 105 5.202 -14.790 -22.400 1.00 3.33 H new ATOM 0 HD2 ARG A 105 5.887 -16.343 -19.944 1.00 24.43 H new ATOM 0 HD3 ARG A 105 4.184 -16.267 -20.349 1.00 24.43 H new ATOM 0 HE ARG A 105 5.901 -16.962 -22.625 1.00 35.01 H new ATOM 0 HH11 ARG A 105 4.079 -18.142 -19.840 1.00 43.04 H new ATOM 0 HH12 ARG A 105 3.898 -19.770 -20.501 1.00 43.04 H new ATOM 0 HH21 ARG A 105 5.663 -19.055 -23.469 1.00 34.03 H new ATOM 0 HH22 ARG A 105 4.792 -20.285 -22.548 1.00 34.03 H new ATOM 1647 N THR A 106 8.429 -11.691 -20.664 1.00 11.02 N ATOM 1648 CA THR A 106 8.654 -10.405 -20.015 1.00 71.34 C ATOM 1649 C THR A 106 9.429 -9.459 -20.925 1.00 54.21 C ATOM 1650 O THR A 106 9.337 -8.238 -20.792 1.00 55.00 O ATOM 1651 CB THR A 106 9.423 -10.571 -18.691 1.00 64.03 C ATOM 1652 OG1 THR A 106 9.720 -9.286 -18.133 1.00 64.22 O ATOM 1653 CG2 THR A 106 10.714 -11.346 -18.909 1.00 4.20 C ATOM 0 H THR A 106 9.110 -12.411 -20.421 1.00 11.02 H new ATOM 0 HA THR A 106 7.672 -9.980 -19.805 1.00 71.34 H new ATOM 0 HB THR A 106 8.794 -11.131 -17.998 1.00 64.03 H new ATOM 0 HG1 THR A 106 9.909 -9.381 -17.176 1.00 64.22 H new ATOM 0 HG21 THR A 106 11.240 -11.451 -17.960 1.00 4.20 H new ATOM 0 HG22 THR A 106 10.482 -12.334 -19.307 1.00 4.20 H new ATOM 0 HG23 THR A 106 11.346 -10.809 -19.617 1.00 4.20 H new ATOM 1661 N THR A 107 10.193 -10.029 -21.852 1.00 32.03 N ATOM 1662 CA THR A 107 10.984 -9.236 -22.784 1.00 2.12 C ATOM 1663 C THR A 107 10.123 -8.193 -23.487 1.00 42.01 C ATOM 1664 O THR A 107 10.581 -7.087 -23.776 1.00 33.02 O ATOM 1665 CB THR A 107 11.662 -10.125 -23.844 1.00 33.05 C ATOM 1666 OG1 THR A 107 12.552 -11.051 -23.210 1.00 15.11 O ATOM 1667 CG2 THR A 107 12.431 -9.280 -24.847 1.00 45.21 C ATOM 0 H THR A 107 10.280 -11.038 -21.977 1.00 32.03 H new ATOM 0 HA THR A 107 11.753 -8.733 -22.197 1.00 2.12 H new ATOM 0 HB THR A 107 10.886 -10.675 -24.376 1.00 33.05 H new ATOM 0 HG1 THR A 107 12.090 -11.493 -22.468 1.00 15.11 H new ATOM 0 HG21 THR A 107 12.901 -9.930 -25.585 1.00 45.21 H new ATOM 0 HG22 THR A 107 11.746 -8.597 -25.349 1.00 45.21 H new ATOM 0 HG23 THR A 107 13.199 -8.707 -24.327 1.00 45.21 H new ATOM 1675 N LYS A 108 8.873 -8.551 -23.760 1.00 62.23 N ATOM 1676 CA LYS A 108 7.946 -7.646 -24.428 1.00 51.24 C ATOM 1677 C LYS A 108 7.640 -6.436 -23.551 1.00 52.14 C ATOM 1678 O LYS A 108 7.425 -5.331 -24.053 1.00 33.44 O ATOM 1679 CB LYS A 108 6.648 -8.378 -24.777 1.00 11.12 C ATOM 1680 CG LYS A 108 6.557 -8.794 -26.235 1.00 13.32 C ATOM 1681 CD LYS A 108 6.076 -7.650 -27.112 1.00 10.21 C ATOM 1682 CE LYS A 108 5.934 -8.082 -28.563 1.00 70.03 C ATOM 1683 NZ LYS A 108 5.067 -7.151 -29.337 1.00 11.20 N ATOM 0 H LYS A 108 8.478 -9.463 -23.529 1.00 62.23 H new ATOM 0 HA LYS A 108 8.417 -7.297 -25.347 1.00 51.24 H new ATOM 0 HB2 LYS A 108 6.561 -9.265 -24.149 1.00 11.12 H new ATOM 0 HB3 LYS A 108 5.802 -7.734 -24.538 1.00 11.12 H new ATOM 0 HG2 LYS A 108 7.534 -9.132 -26.580 1.00 13.32 H new ATOM 0 HG3 LYS A 108 5.875 -9.639 -26.331 1.00 13.32 H new ATOM 0 HD2 LYS A 108 5.117 -7.287 -26.744 1.00 10.21 H new ATOM 0 HD3 LYS A 108 6.778 -6.819 -27.046 1.00 10.21 H new ATOM 0 HE2 LYS A 108 6.920 -8.130 -29.026 1.00 70.03 H new ATOM 0 HE3 LYS A 108 5.514 -9.087 -28.603 1.00 70.03 H new ATOM 0 HZ1 LYS A 108 4.995 -7.480 -30.321 1.00 11.20 H new ATOM 0 HZ2 LYS A 108 4.119 -7.125 -28.911 1.00 11.20 H new ATOM 0 HZ3 LYS A 108 5.481 -6.197 -29.320 1.00 11.20 H new ATOM 1697 N LEU A 109 7.623 -6.650 -22.240 1.00 61.35 N ATOM 1698 CA LEU A 109 7.345 -5.576 -21.293 1.00 60.40 C ATOM 1699 C LEU A 109 8.523 -4.611 -21.203 1.00 74.11 C ATOM 1700 O LEU A 109 8.345 -3.421 -20.941 1.00 12.24 O ATOM 1701 CB LEU A 109 7.039 -6.156 -19.911 1.00 0.22 C ATOM 1702 CG LEU A 109 5.586 -6.562 -19.660 1.00 3.54 C ATOM 1703 CD1 LEU A 109 5.473 -7.377 -18.381 1.00 2.43 C ATOM 1704 CD2 LEU A 109 4.693 -5.331 -19.591 1.00 62.40 C ATOM 0 H LEU A 109 7.798 -7.557 -21.809 1.00 61.35 H new ATOM 0 HA LEU A 109 6.475 -5.025 -21.650 1.00 60.40 H new ATOM 0 HB2 LEU A 109 7.671 -7.031 -19.758 1.00 0.22 H new ATOM 0 HB3 LEU A 109 7.325 -5.421 -19.159 1.00 0.22 H new ATOM 0 HG LEU A 109 5.253 -7.182 -20.492 1.00 3.54 H new ATOM 0 HD11 LEU A 109 4.432 -7.657 -18.219 1.00 2.43 H new ATOM 0 HD12 LEU A 109 6.081 -8.277 -18.468 1.00 2.43 H new ATOM 0 HD13 LEU A 109 5.824 -6.782 -17.538 1.00 2.43 H new ATOM 0 HD21 LEU A 109 3.663 -5.638 -19.412 1.00 62.40 H new ATOM 0 HD22 LEU A 109 5.026 -4.685 -18.778 1.00 62.40 H new ATOM 0 HD23 LEU A 109 4.751 -4.786 -20.534 1.00 62.40 H new ATOM 1716 N LEU A 110 9.725 -5.131 -21.425 1.00 11.35 N ATOM 1717 CA LEU A 110 10.933 -4.314 -21.371 1.00 32.41 C ATOM 1718 C LEU A 110 10.873 -3.185 -22.394 1.00 73.04 C ATOM 1719 O LEU A 110 11.573 -2.180 -22.268 1.00 74.02 O ATOM 1720 CB LEU A 110 12.169 -5.180 -21.622 1.00 33.21 C ATOM 1721 CG LEU A 110 12.964 -5.590 -20.382 1.00 42.11 C ATOM 1722 CD1 LEU A 110 12.047 -6.210 -19.340 1.00 15.43 C ATOM 1723 CD2 LEU A 110 14.077 -6.557 -20.758 1.00 61.31 C ATOM 0 H LEU A 110 9.890 -6.114 -21.644 1.00 11.35 H new ATOM 0 HA LEU A 110 11.001 -3.874 -20.376 1.00 32.41 H new ATOM 0 HB2 LEU A 110 11.855 -6.084 -22.143 1.00 33.21 H new ATOM 0 HB3 LEU A 110 12.836 -4.640 -22.294 1.00 33.21 H new ATOM 0 HG LEU A 110 13.416 -4.696 -19.952 1.00 42.11 H new ATOM 0 HD11 LEU A 110 12.631 -6.495 -18.465 1.00 15.43 H new ATOM 0 HD12 LEU A 110 11.286 -5.486 -19.048 1.00 15.43 H new ATOM 0 HD13 LEU A 110 11.565 -7.094 -19.759 1.00 15.43 H new ATOM 0 HD21 LEU A 110 14.632 -6.838 -19.863 1.00 61.31 H new ATOM 0 HD22 LEU A 110 13.646 -7.449 -21.213 1.00 61.31 H new ATOM 0 HD23 LEU A 110 14.751 -6.078 -21.468 1.00 61.31 H new ATOM 1735 N LYS A 111 10.030 -3.356 -23.407 1.00 41.15 N ATOM 1736 CA LYS A 111 9.875 -2.350 -24.452 1.00 34.42 C ATOM 1737 C LYS A 111 9.442 -1.013 -23.859 1.00 42.13 C ATOM 1738 O LYS A 111 9.635 0.039 -24.468 1.00 43.45 O ATOM 1739 CB LYS A 111 8.850 -2.816 -25.488 1.00 74.24 C ATOM 1740 CG LYS A 111 9.271 -4.066 -26.242 1.00 4.13 C ATOM 1741 CD LYS A 111 8.423 -4.281 -27.484 1.00 44.11 C ATOM 1742 CE LYS A 111 9.112 -3.742 -28.729 1.00 34.02 C ATOM 1743 NZ LYS A 111 8.821 -4.576 -29.928 1.00 51.51 N ATOM 0 H LYS A 111 9.443 -4.182 -23.527 1.00 41.15 H new ATOM 0 HA LYS A 111 10.841 -2.216 -24.940 1.00 34.42 H new ATOM 0 HB2 LYS A 111 7.901 -3.007 -24.987 1.00 74.24 H new ATOM 0 HB3 LYS A 111 8.677 -2.012 -26.203 1.00 74.24 H new ATOM 0 HG2 LYS A 111 10.320 -3.984 -26.526 1.00 4.13 H new ATOM 0 HG3 LYS A 111 9.185 -4.933 -25.587 1.00 4.13 H new ATOM 0 HD2 LYS A 111 8.223 -5.345 -27.609 1.00 44.11 H new ATOM 0 HD3 LYS A 111 7.459 -3.788 -27.358 1.00 44.11 H new ATOM 0 HE2 LYS A 111 8.785 -2.718 -28.911 1.00 34.02 H new ATOM 0 HE3 LYS A 111 10.189 -3.708 -28.563 1.00 34.02 H new ATOM 0 HZ1 LYS A 111 9.308 -4.176 -30.755 1.00 51.51 H new ATOM 0 HZ2 LYS A 111 9.156 -5.547 -29.765 1.00 51.51 H new ATOM 0 HZ3 LYS A 111 7.796 -4.588 -30.102 1.00 51.51 H new ATOM 1757 N LYS A 112 8.857 -1.061 -22.667 1.00 44.42 N ATOM 1758 CA LYS A 112 8.400 0.147 -21.990 1.00 72.01 C ATOM 1759 C LYS A 112 9.534 0.789 -21.197 1.00 52.25 C ATOM 1760 O LYS A 112 9.578 2.009 -21.034 1.00 73.43 O ATOM 1761 CB LYS A 112 7.232 -0.179 -21.057 1.00 14.53 C ATOM 1762 CG LYS A 112 5.887 -0.236 -21.762 1.00 4.53 C ATOM 1763 CD LYS A 112 5.782 -1.453 -22.664 1.00 64.42 C ATOM 1764 CE LYS A 112 4.421 -1.532 -23.338 1.00 41.13 C ATOM 1765 NZ LYS A 112 4.387 -0.758 -24.610 1.00 55.01 N ATOM 0 H LYS A 112 8.688 -1.924 -22.150 1.00 44.42 H new ATOM 0 HA LYS A 112 8.065 0.855 -22.749 1.00 72.01 H new ATOM 0 HB2 LYS A 112 7.420 -1.138 -20.574 1.00 14.53 H new ATOM 0 HB3 LYS A 112 7.188 0.572 -20.268 1.00 14.53 H new ATOM 0 HG2 LYS A 112 5.088 -0.261 -21.021 1.00 4.53 H new ATOM 0 HG3 LYS A 112 5.746 0.669 -22.353 1.00 4.53 H new ATOM 0 HD2 LYS A 112 6.563 -1.413 -23.423 1.00 64.42 H new ATOM 0 HD3 LYS A 112 5.952 -2.357 -22.079 1.00 64.42 H new ATOM 0 HE2 LYS A 112 4.176 -2.575 -23.540 1.00 41.13 H new ATOM 0 HE3 LYS A 112 3.657 -1.151 -22.660 1.00 41.13 H new ATOM 0 HZ1 LYS A 112 3.443 -0.837 -25.039 1.00 55.01 H new ATOM 0 HZ2 LYS A 112 4.596 0.242 -24.414 1.00 55.01 H new ATOM 0 HZ3 LYS A 112 5.098 -1.138 -25.267 1.00 55.01 H new ATOM 1779 N VAL A 113 10.451 -0.039 -20.708 1.00 32.32 N ATOM 1780 CA VAL A 113 11.587 0.448 -19.935 1.00 13.34 C ATOM 1781 C VAL A 113 12.676 1.001 -20.847 1.00 20.30 C ATOM 1782 O VAL A 113 13.293 2.023 -20.547 1.00 55.31 O ATOM 1783 CB VAL A 113 12.185 -0.665 -19.054 1.00 45.31 C ATOM 1784 CG1 VAL A 113 13.226 -0.092 -18.104 1.00 64.31 C ATOM 1785 CG2 VAL A 113 11.087 -1.383 -18.285 1.00 25.43 C ATOM 0 H VAL A 113 10.429 -1.051 -20.834 1.00 32.32 H new ATOM 0 HA VAL A 113 11.215 1.247 -19.294 1.00 13.34 H new ATOM 0 HB VAL A 113 12.678 -1.391 -19.700 1.00 45.31 H new ATOM 0 HG11 VAL A 113 13.638 -0.893 -17.489 1.00 64.31 H new ATOM 0 HG12 VAL A 113 14.027 0.372 -18.679 1.00 64.31 H new ATOM 0 HG13 VAL A 113 12.760 0.655 -17.462 1.00 64.31 H new ATOM 0 HG21 VAL A 113 11.527 -2.166 -17.668 1.00 25.43 H new ATOM 0 HG22 VAL A 113 10.563 -0.670 -17.648 1.00 25.43 H new ATOM 0 HG23 VAL A 113 10.382 -1.828 -18.987 1.00 25.43 H new ATOM 1795 N VAL A 114 12.908 0.318 -21.963 1.00 61.54 N ATOM 1796 CA VAL A 114 13.922 0.740 -22.922 1.00 4.54 C ATOM 1797 C VAL A 114 13.657 2.160 -23.412 1.00 24.51 C ATOM 1798 O VAL A 114 14.588 2.910 -23.706 1.00 23.33 O ATOM 1799 CB VAL A 114 13.979 -0.208 -24.134 1.00 50.31 C ATOM 1800 CG1 VAL A 114 12.697 -0.113 -24.947 1.00 12.51 C ATOM 1801 CG2 VAL A 114 15.192 0.104 -24.998 1.00 12.43 C ATOM 0 H VAL A 114 12.407 -0.531 -22.226 1.00 61.54 H new ATOM 0 HA VAL A 114 14.880 0.710 -22.403 1.00 4.54 H new ATOM 0 HB VAL A 114 14.075 -1.231 -23.769 1.00 50.31 H new ATOM 0 HG11 VAL A 114 12.756 -0.790 -25.799 1.00 12.51 H new ATOM 0 HG12 VAL A 114 11.848 -0.390 -24.322 1.00 12.51 H new ATOM 0 HG13 VAL A 114 12.567 0.909 -25.304 1.00 12.51 H new ATOM 0 HG21 VAL A 114 15.216 -0.576 -25.850 1.00 12.43 H new ATOM 0 HG22 VAL A 114 15.129 1.132 -25.355 1.00 12.43 H new ATOM 0 HG23 VAL A 114 16.100 -0.020 -24.408 1.00 12.43 H new ATOM 1811 N ASP A 115 12.382 2.521 -23.497 1.00 41.43 N ATOM 1812 CA ASP A 115 11.994 3.852 -23.951 1.00 34.14 C ATOM 1813 C ASP A 115 12.263 4.894 -22.870 1.00 45.41 C ATOM 1814 O ASP A 115 12.182 6.098 -23.119 1.00 22.44 O ATOM 1815 CB ASP A 115 10.514 3.871 -24.336 1.00 73.45 C ATOM 1816 CG ASP A 115 10.115 5.153 -25.041 1.00 22.43 C ATOM 1817 OD1 ASP A 115 10.841 5.571 -25.967 1.00 52.41 O ATOM 1818 OD2 ASP A 115 9.077 5.737 -24.666 1.00 62.20 O ATOM 0 H ASP A 115 11.600 1.912 -23.258 1.00 41.43 H new ATOM 0 HA ASP A 115 12.593 4.099 -24.827 1.00 34.14 H new ATOM 0 HB2 ASP A 115 10.299 3.021 -24.984 1.00 73.45 H new ATOM 0 HB3 ASP A 115 9.907 3.749 -23.439 1.00 73.45 H new ATOM 1823 N LYS A 116 12.584 4.425 -21.669 1.00 50.01 N ATOM 1824 CA LYS A 116 12.866 5.315 -20.549 1.00 42.34 C ATOM 1825 C LYS A 116 14.365 5.571 -20.422 1.00 34.44 C ATOM 1826 O LYS A 116 14.814 6.717 -20.451 1.00 60.32 O ATOM 1827 CB LYS A 116 12.327 4.718 -19.248 1.00 20.03 C ATOM 1828 CG LYS A 116 11.130 5.465 -18.686 1.00 33.21 C ATOM 1829 CD LYS A 116 9.920 5.347 -19.598 1.00 64.44 C ATOM 1830 CE LYS A 116 8.622 5.346 -18.806 1.00 2.11 C ATOM 1831 NZ LYS A 116 8.105 6.725 -18.588 1.00 11.42 N ATOM 0 H LYS A 116 12.655 3.432 -21.446 1.00 50.01 H new ATOM 0 HA LYS A 116 12.368 6.266 -20.738 1.00 42.34 H new ATOM 0 HB2 LYS A 116 12.047 3.679 -19.423 1.00 20.03 H new ATOM 0 HB3 LYS A 116 13.123 4.712 -18.504 1.00 20.03 H new ATOM 0 HG2 LYS A 116 10.884 5.070 -17.700 1.00 33.21 H new ATOM 0 HG3 LYS A 116 11.386 6.516 -18.553 1.00 33.21 H new ATOM 0 HD2 LYS A 116 9.915 6.176 -20.306 1.00 64.44 H new ATOM 0 HD3 LYS A 116 9.992 4.429 -20.182 1.00 64.44 H new ATOM 0 HE2 LYS A 116 7.874 4.757 -19.336 1.00 2.11 H new ATOM 0 HE3 LYS A 116 8.785 4.862 -17.843 1.00 2.11 H new ATOM 0 HZ1 LYS A 116 7.219 6.682 -18.045 1.00 11.42 H new ATOM 0 HZ2 LYS A 116 8.808 7.280 -18.060 1.00 11.42 H new ATOM 0 HZ3 LYS A 116 7.926 7.178 -19.507 1.00 11.42 H new ATOM 1845 N HIS A 117 15.134 4.495 -20.281 1.00 13.51 N ATOM 1846 CA HIS A 117 16.582 4.604 -20.151 1.00 24.42 C ATOM 1847 C HIS A 117 17.287 3.772 -21.218 1.00 43.13 C ATOM 1848 O HIS A 117 18.423 4.059 -21.594 1.00 1.45 O ATOM 1849 CB HIS A 117 17.026 4.151 -18.760 1.00 20.55 C ATOM 1850 CG HIS A 117 16.198 4.724 -17.651 1.00 21.42 C ATOM 1851 ND1 HIS A 117 15.145 4.208 -16.975 1.00 41.41 N flip ATOM 1852 CD2 HIS A 117 16.417 5.976 -17.118 1.00 32.11 C flip ATOM 1853 CE1 HIS A 117 14.752 5.148 -16.055 1.00 74.13 C flip ATOM 1854 NE2 HIS A 117 15.536 6.206 -16.161 1.00 15.32 N flip ATOM 0 H HIS A 117 14.778 3.539 -20.254 1.00 13.51 H new ATOM 0 HA HIS A 117 16.857 5.650 -20.289 1.00 24.42 H new ATOM 0 HB2 HIS A 117 16.982 3.063 -18.710 1.00 20.55 H new ATOM 0 HB3 HIS A 117 18.067 4.436 -18.609 1.00 20.55 H new ATOM 0 HD2 HIS A 117 17.189 6.662 -17.434 1.00 32.11 H new ATOM 0 HE1 HIS A 117 13.934 5.040 -15.358 1.00 74.13 H new ATOM 0 HE2 HIS A 117 15.472 7.055 -15.600 1.00 15.32 H new ATOM 1862 N GLY A 118 16.605 2.739 -21.703 1.00 61.13 N ATOM 1863 CA GLY A 118 17.182 1.881 -22.722 1.00 1.31 C ATOM 1864 C GLY A 118 17.470 0.484 -22.209 1.00 1.43 C ATOM 1865 O GLY A 118 18.246 -0.258 -22.811 1.00 43.44 O ATOM 0 H GLY A 118 15.663 2.481 -21.409 1.00 61.13 H new ATOM 0 HA2 GLY A 118 16.500 1.820 -23.570 1.00 1.31 H new ATOM 0 HA3 GLY A 118 18.106 2.328 -23.088 1.00 1.31 H new ATOM 1869 N ILE A 119 16.845 0.125 -21.092 1.00 43.53 N ATOM 1870 CA ILE A 119 17.039 -1.191 -20.498 1.00 64.44 C ATOM 1871 C ILE A 119 16.759 -2.297 -21.510 1.00 63.51 C ATOM 1872 O ILE A 119 15.612 -2.527 -21.892 1.00 43.15 O ATOM 1873 CB ILE A 119 16.134 -1.394 -19.269 1.00 54.14 C ATOM 1874 CG1 ILE A 119 16.414 -0.317 -18.219 1.00 23.30 C ATOM 1875 CG2 ILE A 119 16.341 -2.782 -18.682 1.00 14.23 C ATOM 1876 CD1 ILE A 119 17.854 -0.285 -17.756 1.00 61.33 C ATOM 0 H ILE A 119 16.200 0.728 -20.581 1.00 43.53 H new ATOM 0 HA ILE A 119 18.081 -1.244 -20.183 1.00 64.44 H new ATOM 0 HB ILE A 119 15.094 -1.306 -19.583 1.00 54.14 H new ATOM 0 HG12 ILE A 119 16.151 0.657 -18.631 1.00 23.30 H new ATOM 0 HG13 ILE A 119 15.767 -0.484 -17.358 1.00 23.30 H new ATOM 0 HG21 ILE A 119 15.694 -2.910 -17.814 1.00 14.23 H new ATOM 0 HG22 ILE A 119 16.096 -3.534 -19.432 1.00 14.23 H new ATOM 0 HG23 ILE A 119 17.382 -2.898 -18.379 1.00 14.23 H new ATOM 0 HD11 ILE A 119 17.980 0.502 -17.012 1.00 61.33 H new ATOM 0 HD12 ILE A 119 18.116 -1.247 -17.314 1.00 61.33 H new ATOM 0 HD13 ILE A 119 18.506 -0.087 -18.607 1.00 61.33 H new ATOM 1888 N ALA A 120 17.815 -2.981 -21.939 1.00 22.34 N ATOM 1889 CA ALA A 120 17.683 -4.066 -22.903 1.00 33.31 C ATOM 1890 C ALA A 120 17.111 -5.318 -22.246 1.00 0.02 C ATOM 1891 O ALA A 120 16.357 -6.068 -22.867 1.00 53.53 O ATOM 1892 CB ALA A 120 19.029 -4.372 -23.542 1.00 42.41 C ATOM 0 H ALA A 120 18.772 -2.802 -21.634 1.00 22.34 H new ATOM 0 HA ALA A 120 16.989 -3.745 -23.680 1.00 33.31 H new ATOM 0 HB1 ALA A 120 18.915 -5.184 -24.260 1.00 42.41 H new ATOM 0 HB2 ALA A 120 19.399 -3.484 -24.055 1.00 42.41 H new ATOM 0 HB3 ALA A 120 19.740 -4.667 -22.770 1.00 42.41 H new TER 1898 ALA A 120