USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1114 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: B 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 62 LYS NZ :NH3+ 156:sc= 0.258 (180deg=0.0887) USER MOD Set 2.1: B 23 MET CE :methyl -103:sc= -0.159 (180deg=-1.91!) USER MOD Set 2.2: B 27 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: B 42 HIS :FLIP no HD1:sc= -0.0829 F(o=-0.86,f=-0.24) USER MOD Set 3.1: A 55 MET CE :methyl -178:sc= -0.648 (180deg=-0.658) USER MOD Set 3.2: B 44 CYS SG : rot 80:sc= 0.123 USER MOD Set 4.1: A 44 CYS SG : rot 78:sc= 0.351 USER MOD Set 4.2: B 55 MET CE :methyl 180:sc= -0.265 (180deg=-0.0963) USER MOD Set 5.1: A 32 ASN : amide:sc= -0.0655 K(o=-0.23,f=-4.7!) USER MOD Set 5.2: A 33 ASN : amide:sc= -0.16 X(o=-0.23,f=-0.37) USER MOD Set 6.1: A 23 MET CE :methyl -106:sc= -0.0445 (180deg=-1.43) USER MOD Set 6.2: A 27 TYR OH : rot -30:sc= 0.359 USER MOD Set 6.3: A 42 HIS :FLIP no HE2:sc= 0.0406 F(o=-0.51,f=0.35) USER MOD Single : A 3 SER OG : rot 27:sc= 0.22 USER MOD Single : A 4 LYS NZ :NH3+ -153:sc= -2.76! (180deg=-4.04!) USER MOD Single : A 9 GLN : amide:sc= -0.0505 X(o=-0.05,f=-0.2) USER MOD Single : A 16 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.45) USER MOD Single : A 17 THR OG1 : rot 68:sc= 0.271 USER MOD Single : A 25 MET CE :methyl -146:sc= 0 (180deg=-0.331) USER MOD Single : A 26 SER OG : rot 56:sc= 0.175 USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.479 X(o=0.48,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= -3.07! (180deg=-3.3!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.42! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= 0.943 (180deg=0.424) USER MOD Single : A 64 SER OG : rot 180:sc= 0.00319 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ -161:sc= -3.53! (180deg=-4.53!) USER MOD Single : B 9 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.8) USER MOD Single : B 16 GLN : amide:sc= -0.0797 K(o=-0.08,f=-1.7) USER MOD Single : B 17 THR OG1 : rot 70:sc= 1.1 USER MOD Single : B 25 MET CE :methyl -115:sc= 0 (180deg=-0.634) USER MOD Single : B 26 SER OG : rot 180:sc= 0.0333 USER MOD Single : B 28 GLN :FLIP amide:sc= -0.029 F(o=-1.4!,f=-0.029) USER MOD Single : B 32 ASN : amide:sc= -0.267 K(o=-0.27,f=-4.1!) USER MOD Single : B 33 ASN : amide:sc= -0.717 K(o=-0.72,f=-8.3!) USER MOD Single : B 40 ASN :FLIP amide:sc= -0.0762 F(o=-1.8!,f=-0.076) USER MOD Single : B 46 ASN : amide:sc= -1.06 K(o=-1.1,f=-4.1!) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ -173:sc= -4.09! (180deg=-4.29!) USER MOD Single : B 51 THR OG1 : rot -10:sc= 0.739 USER MOD Single : B 57 THR OG1 : rot 64:sc= 0.497 USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 3 -16.824 -10.311 3.478 1.00 0.51 N ATOM 52 CA SER A 3 -17.603 -9.318 2.756 1.00 0.45 C ATOM 53 C SER A 3 -16.715 -8.165 2.292 1.00 0.34 C ATOM 54 O SER A 3 -15.534 -8.121 2.627 1.00 0.30 O ATOM 55 CB SER A 3 -18.722 -8.783 3.649 1.00 0.50 C ATOM 56 OG SER A 3 -19.441 -9.843 4.261 1.00 0.72 O ATOM 0 HA SER A 3 -18.038 -9.795 1.878 1.00 0.45 H new ATOM 0 HB2 SER A 3 -18.300 -8.135 4.417 1.00 0.50 H new ATOM 0 HB3 SER A 3 -19.403 -8.172 3.056 1.00 0.50 H new ATOM 0 HG SER A 3 -18.858 -10.626 4.348 1.00 0.72 H new ATOM 62 N LYS A 4 -17.279 -7.235 1.529 1.00 0.32 N ATOM 63 CA LYS A 4 -16.529 -6.071 1.054 1.00 0.28 C ATOM 64 C LYS A 4 -15.877 -5.321 2.222 1.00 0.22 C ATOM 65 O LYS A 4 -14.790 -4.759 2.083 1.00 0.22 O ATOM 66 CB LYS A 4 -17.457 -5.127 0.286 1.00 0.36 C ATOM 67 CG LYS A 4 -18.153 -5.779 -0.899 1.00 0.88 C ATOM 68 CD LYS A 4 -19.394 -5.007 -1.343 1.00 0.88 C ATOM 69 CE LYS A 4 -19.086 -3.564 -1.729 1.00 0.40 C ATOM 70 NZ LYS A 4 -19.036 -2.663 -0.546 1.00 1.69 N ATOM 0 H LYS A 4 -18.252 -7.262 1.225 1.00 0.32 H new ATOM 0 HA LYS A 4 -15.740 -6.424 0.390 1.00 0.28 H new ATOM 0 HB2 LYS A 4 -18.212 -4.739 0.970 1.00 0.36 H new ATOM 0 HB3 LYS A 4 -16.879 -4.274 -0.069 1.00 0.36 H new ATOM 0 HG2 LYS A 4 -17.455 -5.850 -1.733 1.00 0.88 H new ATOM 0 HG3 LYS A 4 -18.437 -6.797 -0.634 1.00 0.88 H new ATOM 0 HD2 LYS A 4 -19.848 -5.516 -2.193 1.00 0.88 H new ATOM 0 HD3 LYS A 4 -20.128 -5.014 -0.537 1.00 0.88 H new ATOM 0 HE2 LYS A 4 -18.131 -3.526 -2.253 1.00 0.40 H new ATOM 0 HE3 LYS A 4 -19.845 -3.206 -2.424 1.00 0.40 H new ATOM 0 HZ1 LYS A 4 -19.281 -1.695 -0.836 1.00 1.69 H new ATOM 0 HZ2 LYS A 4 -19.715 -2.992 0.170 1.00 1.69 H new ATOM 0 HZ3 LYS A 4 -18.077 -2.671 -0.144 1.00 1.69 H new ATOM 84 N LEU A 5 -16.549 -5.317 3.371 1.00 0.22 N ATOM 85 CA LEU A 5 -16.032 -4.657 4.561 1.00 0.22 C ATOM 86 C LEU A 5 -14.860 -5.426 5.149 1.00 0.22 C ATOM 87 O LEU A 5 -13.909 -4.830 5.641 1.00 0.24 O ATOM 88 CB LEU A 5 -17.148 -4.447 5.589 1.00 0.25 C ATOM 89 CG LEU A 5 -16.715 -3.971 6.978 1.00 0.29 C ATOM 90 CD1 LEU A 5 -17.751 -3.025 7.557 1.00 0.32 C ATOM 91 CD2 LEU A 5 -16.517 -5.152 7.919 1.00 0.34 C ATOM 0 H LEU A 5 -17.456 -5.766 3.500 1.00 0.22 H new ATOM 0 HA LEU A 5 -15.658 -3.674 4.274 1.00 0.22 H new ATOM 0 HB2 LEU A 5 -17.853 -3.721 5.184 1.00 0.25 H new ATOM 0 HB3 LEU A 5 -17.688 -5.387 5.703 1.00 0.25 H new ATOM 0 HG LEU A 5 -15.766 -3.445 6.873 1.00 0.29 H new ATOM 0 HD11 LEU A 5 -17.430 -2.694 8.545 1.00 0.32 H new ATOM 0 HD12 LEU A 5 -17.860 -2.160 6.903 1.00 0.32 H new ATOM 0 HD13 LEU A 5 -18.708 -3.540 7.640 1.00 0.32 H new ATOM 0 HD21 LEU A 5 -16.210 -4.788 8.900 1.00 0.34 H new ATOM 0 HD22 LEU A 5 -17.453 -5.703 8.013 1.00 0.34 H new ATOM 0 HD23 LEU A 5 -15.747 -5.811 7.519 1.00 0.34 H new ATOM 103 N ALA A 6 -14.927 -6.744 5.100 1.00 0.23 N ATOM 104 CA ALA A 6 -13.778 -7.555 5.466 1.00 0.24 C ATOM 105 C ALA A 6 -12.560 -7.125 4.660 1.00 0.22 C ATOM 106 O ALA A 6 -11.458 -7.042 5.192 1.00 0.24 O ATOM 107 CB ALA A 6 -14.075 -9.031 5.253 1.00 0.28 C ATOM 0 H ALA A 6 -15.752 -7.271 4.815 1.00 0.23 H new ATOM 0 HA ALA A 6 -13.564 -7.405 6.524 1.00 0.24 H new ATOM 0 HB1 ALA A 6 -13.203 -9.622 5.533 1.00 0.28 H new ATOM 0 HB2 ALA A 6 -14.925 -9.324 5.870 1.00 0.28 H new ATOM 0 HB3 ALA A 6 -14.311 -9.207 4.203 1.00 0.28 H new ATOM 113 N LEU A 7 -12.781 -6.801 3.388 1.00 0.20 N ATOM 114 CA LEU A 7 -11.707 -6.353 2.507 1.00 0.19 C ATOM 115 C LEU A 7 -11.171 -4.981 2.918 1.00 0.18 C ATOM 116 O LEU A 7 -9.966 -4.812 3.084 1.00 0.18 O ATOM 117 CB LEU A 7 -12.208 -6.276 1.061 1.00 0.20 C ATOM 118 CG LEU A 7 -12.215 -7.582 0.258 1.00 0.23 C ATOM 119 CD1 LEU A 7 -12.976 -8.686 0.977 1.00 0.26 C ATOM 120 CD2 LEU A 7 -12.824 -7.329 -1.111 1.00 0.25 C ATOM 0 H LEU A 7 -13.698 -6.841 2.944 1.00 0.20 H new ATOM 0 HA LEU A 7 -10.899 -7.080 2.588 1.00 0.19 H new ATOM 0 HB2 LEU A 7 -13.224 -5.881 1.075 1.00 0.20 H new ATOM 0 HB3 LEU A 7 -11.592 -5.553 0.527 1.00 0.20 H new ATOM 0 HG LEU A 7 -11.184 -7.919 0.148 1.00 0.23 H new ATOM 0 HD11 LEU A 7 -12.957 -9.594 0.374 1.00 0.26 H new ATOM 0 HD12 LEU A 7 -12.508 -8.881 1.942 1.00 0.26 H new ATOM 0 HD13 LEU A 7 -14.009 -8.375 1.131 1.00 0.26 H new ATOM 0 HD21 LEU A 7 -12.830 -8.256 -1.684 1.00 0.25 H new ATOM 0 HD22 LEU A 7 -13.846 -6.968 -0.994 1.00 0.25 H new ATOM 0 HD23 LEU A 7 -12.234 -6.580 -1.639 1.00 0.25 H new ATOM 132 N ILE A 8 -12.066 -4.006 3.079 1.00 0.17 N ATOM 133 CA ILE A 8 -11.654 -2.657 3.478 1.00 0.17 C ATOM 134 C ILE A 8 -10.963 -2.661 4.844 1.00 0.18 C ATOM 135 O ILE A 8 -10.019 -1.908 5.065 1.00 0.20 O ATOM 136 CB ILE A 8 -12.821 -1.627 3.438 1.00 0.18 C ATOM 137 CG1 ILE A 8 -14.086 -2.173 4.078 1.00 0.20 C ATOM 138 CG2 ILE A 8 -13.092 -1.174 2.012 1.00 0.19 C ATOM 139 CD1 ILE A 8 -14.229 -1.789 5.533 1.00 0.24 C ATOM 0 H ILE A 8 -13.070 -4.121 2.942 1.00 0.17 H new ATOM 0 HA ILE A 8 -10.928 -2.330 2.733 1.00 0.17 H new ATOM 0 HB ILE A 8 -12.509 -0.763 4.025 1.00 0.18 H new ATOM 0 HG12 ILE A 8 -14.952 -1.808 3.526 1.00 0.20 H new ATOM 0 HG13 ILE A 8 -14.089 -3.260 3.993 1.00 0.20 H new ATOM 0 HG21 ILE A 8 -13.911 -0.455 2.008 1.00 0.19 H new ATOM 0 HG22 ILE A 8 -12.197 -0.706 1.602 1.00 0.19 H new ATOM 0 HG23 ILE A 8 -13.363 -2.036 1.402 1.00 0.19 H new ATOM 0 HD11 ILE A 8 -15.152 -2.210 5.931 1.00 0.24 H new ATOM 0 HD12 ILE A 8 -13.381 -2.177 6.097 1.00 0.24 H new ATOM 0 HD13 ILE A 8 -14.257 -0.703 5.622 1.00 0.24 H new ATOM 151 N GLN A 9 -11.413 -3.529 5.742 1.00 0.19 N ATOM 152 CA GLN A 9 -10.797 -3.655 7.059 1.00 0.21 C ATOM 153 C GLN A 9 -9.412 -4.298 6.969 1.00 0.22 C ATOM 154 O GLN A 9 -8.483 -3.887 7.663 1.00 0.24 O ATOM 155 CB GLN A 9 -11.691 -4.481 7.988 1.00 0.22 C ATOM 156 CG GLN A 9 -12.942 -3.750 8.446 1.00 0.29 C ATOM 157 CD GLN A 9 -12.632 -2.608 9.391 1.00 0.90 C ATOM 158 OE1 GLN A 9 -12.418 -1.475 8.972 1.00 1.82 O ATOM 159 NE2 GLN A 9 -12.612 -2.902 10.678 1.00 1.37 N ATOM 0 H GLN A 9 -12.202 -4.156 5.583 1.00 0.19 H new ATOM 0 HA GLN A 9 -10.681 -2.651 7.467 1.00 0.21 H new ATOM 0 HB2 GLN A 9 -11.984 -5.397 7.475 1.00 0.22 H new ATOM 0 HB3 GLN A 9 -11.114 -4.777 8.864 1.00 0.22 H new ATOM 0 HG2 GLN A 9 -13.472 -3.364 7.576 1.00 0.29 H new ATOM 0 HG3 GLN A 9 -13.611 -4.455 8.940 1.00 0.29 H new ATOM 0 HE21 GLN A 9 -12.795 -3.857 10.986 1.00 1.37 H new ATOM 0 HE22 GLN A 9 -12.413 -2.174 11.364 1.00 1.37 H new ATOM 168 N GLU A 10 -9.283 -5.322 6.134 1.00 0.21 N ATOM 169 CA GLU A 10 -8.017 -6.035 5.987 1.00 0.23 C ATOM 170 C GLU A 10 -7.011 -5.278 5.133 1.00 0.21 C ATOM 171 O GLU A 10 -5.833 -5.584 5.195 1.00 0.22 O ATOM 172 CB GLU A 10 -8.213 -7.466 5.475 1.00 0.25 C ATOM 173 CG GLU A 10 -8.738 -7.573 4.056 1.00 0.24 C ATOM 174 CD GLU A 10 -9.153 -8.990 3.706 1.00 0.39 C ATOM 175 OE1 GLU A 10 -8.734 -9.935 4.413 1.00 1.15 O ATOM 176 OE2 GLU A 10 -9.879 -9.172 2.707 1.00 1.11 O ATOM 0 H GLU A 10 -10.038 -5.678 5.548 1.00 0.21 H new ATOM 0 HA GLU A 10 -7.596 -6.101 6.990 1.00 0.23 H new ATOM 0 HB2 GLU A 10 -7.259 -7.991 5.534 1.00 0.25 H new ATOM 0 HB3 GLU A 10 -8.903 -7.983 6.142 1.00 0.25 H new ATOM 0 HG2 GLU A 10 -9.591 -6.905 3.934 1.00 0.24 H new ATOM 0 HG3 GLU A 10 -7.969 -7.238 3.359 1.00 0.24 H new ATOM 183 N LEU A 11 -7.475 -4.351 4.291 1.00 0.18 N ATOM 184 CA LEU A 11 -6.571 -3.526 3.472 1.00 0.18 C ATOM 185 C LEU A 11 -5.315 -3.088 4.254 1.00 0.18 C ATOM 186 O LEU A 11 -4.200 -3.278 3.767 1.00 0.17 O ATOM 187 CB LEU A 11 -7.296 -2.294 2.904 1.00 0.19 C ATOM 188 CG LEU A 11 -8.401 -2.582 1.888 1.00 0.20 C ATOM 189 CD1 LEU A 11 -9.042 -1.285 1.421 1.00 0.26 C ATOM 190 CD2 LEU A 11 -7.854 -3.366 0.705 1.00 0.25 C ATOM 0 H LEU A 11 -8.466 -4.150 4.156 1.00 0.18 H new ATOM 0 HA LEU A 11 -6.246 -4.154 2.642 1.00 0.18 H new ATOM 0 HB2 LEU A 11 -7.728 -1.736 3.734 1.00 0.19 H new ATOM 0 HB3 LEU A 11 -6.557 -1.645 2.434 1.00 0.19 H new ATOM 0 HG LEU A 11 -9.165 -3.190 2.373 1.00 0.20 H new ATOM 0 HD11 LEU A 11 -9.827 -1.507 0.698 1.00 0.26 H new ATOM 0 HD12 LEU A 11 -9.473 -0.764 2.276 1.00 0.26 H new ATOM 0 HD13 LEU A 11 -8.286 -0.653 0.954 1.00 0.26 H new ATOM 0 HD21 LEU A 11 -8.657 -3.560 -0.006 1.00 0.25 H new ATOM 0 HD22 LEU A 11 -7.069 -2.788 0.217 1.00 0.25 H new ATOM 0 HD23 LEU A 11 -7.443 -4.313 1.055 1.00 0.25 H new ATOM 202 N PRO A 12 -5.456 -2.499 5.473 1.00 0.21 N ATOM 203 CA PRO A 12 -4.303 -2.170 6.325 1.00 0.25 C ATOM 204 C PRO A 12 -3.390 -3.368 6.598 1.00 0.26 C ATOM 205 O PRO A 12 -2.167 -3.246 6.577 1.00 0.28 O ATOM 206 CB PRO A 12 -4.939 -1.687 7.630 1.00 0.30 C ATOM 207 CG PRO A 12 -6.280 -1.185 7.234 1.00 0.27 C ATOM 208 CD PRO A 12 -6.724 -2.052 6.090 1.00 0.22 C ATOM 0 HA PRO A 12 -3.660 -1.434 5.843 1.00 0.25 H new ATOM 0 HB2 PRO A 12 -5.018 -2.497 8.355 1.00 0.30 H new ATOM 0 HB3 PRO A 12 -4.343 -0.901 8.094 1.00 0.30 H new ATOM 0 HG2 PRO A 12 -6.981 -1.247 8.066 1.00 0.27 H new ATOM 0 HG3 PRO A 12 -6.232 -0.138 6.935 1.00 0.27 H new ATOM 0 HD2 PRO A 12 -7.320 -2.896 6.436 1.00 0.22 H new ATOM 0 HD3 PRO A 12 -7.339 -1.496 5.382 1.00 0.22 H new ATOM 216 N ASP A 13 -3.992 -4.522 6.836 1.00 0.26 N ATOM 217 CA ASP A 13 -3.246 -5.741 7.135 1.00 0.29 C ATOM 218 C ASP A 13 -2.500 -6.217 5.888 1.00 0.25 C ATOM 219 O ASP A 13 -1.331 -6.594 5.949 1.00 0.26 O ATOM 220 CB ASP A 13 -4.211 -6.824 7.634 1.00 0.36 C ATOM 221 CG ASP A 13 -3.510 -8.094 8.063 1.00 0.98 C ATOM 222 OD1 ASP A 13 -3.032 -8.152 9.216 1.00 1.86 O ATOM 223 OD2 ASP A 13 -3.452 -9.046 7.258 1.00 1.40 O ATOM 0 H ASP A 13 -5.005 -4.644 6.828 1.00 0.26 H new ATOM 0 HA ASP A 13 -2.513 -5.536 7.916 1.00 0.29 H new ATOM 0 HB2 ASP A 13 -4.785 -6.432 8.474 1.00 0.36 H new ATOM 0 HB3 ASP A 13 -4.924 -7.059 6.843 1.00 0.36 H new ATOM 228 N ARG A 14 -3.205 -6.188 4.763 1.00 0.22 N ATOM 229 CA ARG A 14 -2.622 -6.474 3.455 1.00 0.22 C ATOM 230 C ARG A 14 -1.437 -5.565 3.169 1.00 0.20 C ATOM 231 O ARG A 14 -0.386 -6.018 2.720 1.00 0.22 O ATOM 232 CB ARG A 14 -3.667 -6.281 2.357 1.00 0.28 C ATOM 233 CG ARG A 14 -4.333 -7.558 1.892 1.00 0.53 C ATOM 234 CD ARG A 14 -5.384 -7.259 0.837 1.00 0.50 C ATOM 235 NE ARG A 14 -5.879 -8.472 0.189 1.00 0.95 N ATOM 236 CZ ARG A 14 -7.116 -8.926 0.319 1.00 0.72 C ATOM 237 NH1 ARG A 14 -7.983 -8.263 1.065 1.00 1.08 N ATOM 238 NH2 ARG A 14 -7.487 -10.031 -0.311 1.00 1.15 N ATOM 0 H ARG A 14 -4.200 -5.965 4.731 1.00 0.22 H new ATOM 0 HA ARG A 14 -2.280 -7.509 3.467 1.00 0.22 H new ATOM 0 HB2 ARG A 14 -4.435 -5.597 2.720 1.00 0.28 H new ATOM 0 HB3 ARG A 14 -3.192 -5.802 1.501 1.00 0.28 H new ATOM 0 HG2 ARG A 14 -3.584 -8.238 1.485 1.00 0.53 H new ATOM 0 HG3 ARG A 14 -4.795 -8.063 2.740 1.00 0.53 H new ATOM 0 HD2 ARG A 14 -6.218 -6.729 1.298 1.00 0.50 H new ATOM 0 HD3 ARG A 14 -4.961 -6.594 0.084 1.00 0.50 H new ATOM 0 HE ARG A 14 -5.233 -9.000 -0.398 1.00 0.95 H new ATOM 0 HH11 ARG A 14 -7.698 -7.405 1.538 1.00 1.08 H new ATOM 0 HH12 ARG A 14 -8.937 -8.609 1.168 1.00 1.08 H new ATOM 0 HH21 ARG A 14 -6.819 -10.533 -0.897 1.00 1.15 H new ATOM 0 HH22 ARG A 14 -8.440 -10.380 -0.210 1.00 1.15 H new ATOM 252 N ILE A 15 -1.617 -4.278 3.424 1.00 0.19 N ATOM 253 CA ILE A 15 -0.577 -3.299 3.161 1.00 0.20 C ATOM 254 C ILE A 15 0.582 -3.484 4.134 1.00 0.21 C ATOM 255 O ILE A 15 1.736 -3.233 3.793 1.00 0.21 O ATOM 256 CB ILE A 15 -1.142 -1.854 3.193 1.00 0.24 C ATOM 257 CG1 ILE A 15 -0.653 -1.068 1.969 1.00 0.26 C ATOM 258 CG2 ILE A 15 -0.779 -1.123 4.480 1.00 0.25 C ATOM 259 CD1 ILE A 15 0.821 -0.706 1.999 1.00 0.25 C ATOM 0 H ILE A 15 -2.475 -3.888 3.813 1.00 0.19 H new ATOM 0 HA ILE A 15 -0.193 -3.462 2.154 1.00 0.20 H new ATOM 0 HB ILE A 15 -2.229 -1.926 3.162 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -0.851 -1.656 1.073 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -1.237 -0.152 1.885 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -1.196 -0.116 4.457 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.187 -1.665 5.334 1.00 0.25 H new ATOM 0 HG23 ILE A 15 0.306 -1.064 4.572 1.00 0.25 H new ATOM 0 HD11 ILE A 15 1.078 -0.153 1.096 1.00 0.25 H new ATOM 0 HD12 ILE A 15 1.026 -0.089 2.874 1.00 0.25 H new ATOM 0 HD13 ILE A 15 1.418 -1.616 2.049 1.00 0.25 H new ATOM 271 N GLN A 16 0.276 -3.939 5.341 1.00 0.23 N ATOM 272 CA GLN A 16 1.310 -4.334 6.279 1.00 0.26 C ATOM 273 C GLN A 16 2.143 -5.460 5.675 1.00 0.25 C ATOM 274 O GLN A 16 3.359 -5.487 5.815 1.00 0.29 O ATOM 275 CB GLN A 16 0.694 -4.771 7.609 1.00 0.33 C ATOM 276 CG GLN A 16 1.680 -5.434 8.556 1.00 0.78 C ATOM 277 CD GLN A 16 2.859 -4.551 8.919 1.00 1.16 C ATOM 278 OE1 GLN A 16 2.754 -3.324 8.951 1.00 1.70 O ATOM 279 NE2 GLN A 16 3.992 -5.176 9.197 1.00 1.91 N ATOM 0 H GLN A 16 -0.677 -4.042 5.690 1.00 0.23 H new ATOM 0 HA GLN A 16 1.957 -3.479 6.476 1.00 0.26 H new ATOM 0 HB2 GLN A 16 0.262 -3.900 8.102 1.00 0.33 H new ATOM 0 HB3 GLN A 16 -0.124 -5.463 7.409 1.00 0.33 H new ATOM 0 HG2 GLN A 16 1.158 -5.722 9.468 1.00 0.78 H new ATOM 0 HG3 GLN A 16 2.051 -6.351 8.098 1.00 0.78 H new ATOM 0 HE21 GLN A 16 4.035 -6.194 9.159 1.00 1.91 H new ATOM 0 HE22 GLN A 16 4.822 -4.639 9.450 1.00 1.91 H new ATOM 288 N THR A 17 1.483 -6.369 4.975 1.00 0.23 N ATOM 289 CA THR A 17 2.169 -7.463 4.304 1.00 0.25 C ATOM 290 C THR A 17 2.910 -6.966 3.065 1.00 0.22 C ATOM 291 O THR A 17 3.904 -7.558 2.637 1.00 0.27 O ATOM 292 CB THR A 17 1.180 -8.579 3.917 1.00 0.30 C ATOM 293 OG1 THR A 17 0.427 -8.980 5.067 1.00 0.38 O ATOM 294 CG2 THR A 17 1.898 -9.788 3.336 1.00 0.32 C ATOM 0 H THR A 17 0.470 -6.371 4.856 1.00 0.23 H new ATOM 0 HA THR A 17 2.898 -7.873 5.003 1.00 0.25 H new ATOM 0 HB THR A 17 0.512 -8.181 3.153 1.00 0.30 H new ATOM 0 HG1 THR A 17 -0.172 -8.253 5.336 1.00 0.38 H new ATOM 0 HG21 THR A 17 1.168 -10.554 3.075 1.00 0.32 H new ATOM 0 HG22 THR A 17 2.447 -9.491 2.443 1.00 0.32 H new ATOM 0 HG23 THR A 17 2.594 -10.187 4.074 1.00 0.32 H new ATOM 302 N ALA A 18 2.431 -5.870 2.501 1.00 0.22 N ATOM 303 CA ALA A 18 3.069 -5.271 1.349 1.00 0.23 C ATOM 304 C ALA A 18 4.388 -4.640 1.759 1.00 0.24 C ATOM 305 O ALA A 18 5.324 -4.561 0.969 1.00 0.29 O ATOM 306 CB ALA A 18 2.155 -4.236 0.711 1.00 0.26 C ATOM 0 H ALA A 18 1.599 -5.378 2.826 1.00 0.22 H new ATOM 0 HA ALA A 18 3.267 -6.049 0.611 1.00 0.23 H new ATOM 0 HB1 ALA A 18 2.651 -3.796 -0.154 1.00 0.26 H new ATOM 0 HB2 ALA A 18 1.229 -4.715 0.393 1.00 0.26 H new ATOM 0 HB3 ALA A 18 1.929 -3.454 1.436 1.00 0.26 H new ATOM 312 N VAL A 19 4.462 -4.214 3.014 1.00 0.24 N ATOM 313 CA VAL A 19 5.620 -3.481 3.488 1.00 0.29 C ATOM 314 C VAL A 19 6.511 -4.290 4.426 1.00 0.23 C ATOM 315 O VAL A 19 7.659 -3.912 4.653 1.00 0.27 O ATOM 316 CB VAL A 19 5.204 -2.190 4.217 1.00 0.49 C ATOM 317 CG1 VAL A 19 4.232 -1.384 3.376 1.00 1.09 C ATOM 318 CG2 VAL A 19 4.606 -2.508 5.577 1.00 1.77 C ATOM 0 H VAL A 19 3.737 -4.364 3.715 1.00 0.24 H new ATOM 0 HA VAL A 19 6.192 -3.248 2.590 1.00 0.29 H new ATOM 0 HB VAL A 19 6.098 -1.586 4.372 1.00 0.49 H new ATOM 0 HG11 VAL A 19 3.953 -0.477 3.912 1.00 1.09 H new ATOM 0 HG12 VAL A 19 4.704 -1.116 2.431 1.00 1.09 H new ATOM 0 HG13 VAL A 19 3.340 -1.979 3.180 1.00 1.09 H new ATOM 0 HG21 VAL A 19 4.319 -1.581 6.074 1.00 1.77 H new ATOM 0 HG22 VAL A 19 3.726 -3.138 5.449 1.00 1.77 H new ATOM 0 HG23 VAL A 19 5.343 -3.033 6.185 1.00 1.77 H new ATOM 328 N GLU A 20 5.995 -5.383 4.977 1.00 0.22 N ATOM 329 CA GLU A 20 6.718 -6.123 6.007 1.00 0.25 C ATOM 330 C GLU A 20 8.045 -6.656 5.478 1.00 0.26 C ATOM 331 O GLU A 20 9.049 -6.648 6.187 1.00 0.30 O ATOM 332 CB GLU A 20 5.864 -7.264 6.560 1.00 0.28 C ATOM 333 CG GLU A 20 5.420 -8.269 5.516 1.00 0.30 C ATOM 334 CD GLU A 20 4.861 -9.529 6.136 1.00 0.96 C ATOM 335 OE1 GLU A 20 5.650 -10.458 6.409 1.00 1.32 O ATOM 336 OE2 GLU A 20 3.638 -9.594 6.373 1.00 1.93 O ATOM 0 H GLU A 20 5.086 -5.775 4.731 1.00 0.22 H new ATOM 0 HA GLU A 20 6.934 -5.430 6.820 1.00 0.25 H new ATOM 0 HB2 GLU A 20 6.430 -7.785 7.332 1.00 0.28 H new ATOM 0 HB3 GLU A 20 4.981 -6.842 7.041 1.00 0.28 H new ATOM 0 HG2 GLU A 20 4.664 -7.815 4.876 1.00 0.30 H new ATOM 0 HG3 GLU A 20 6.266 -8.525 4.878 1.00 0.30 H new ATOM 343 N ALA A 21 8.039 -7.101 4.229 1.00 0.28 N ATOM 344 CA ALA A 21 9.251 -7.574 3.578 1.00 0.32 C ATOM 345 C ALA A 21 10.321 -6.486 3.584 1.00 0.30 C ATOM 346 O ALA A 21 11.476 -6.730 3.933 1.00 0.31 O ATOM 347 CB ALA A 21 8.945 -8.019 2.157 1.00 0.40 C ATOM 0 H ALA A 21 7.204 -7.144 3.645 1.00 0.28 H new ATOM 0 HA ALA A 21 9.634 -8.430 4.133 1.00 0.32 H new ATOM 0 HB1 ALA A 21 9.860 -8.371 1.681 1.00 0.40 H new ATOM 0 HB2 ALA A 21 8.213 -8.827 2.178 1.00 0.40 H new ATOM 0 HB3 ALA A 21 8.542 -7.179 1.592 1.00 0.40 H new ATOM 353 N ALA A 22 9.913 -5.274 3.230 1.00 0.28 N ATOM 354 CA ALA A 22 10.823 -4.142 3.154 1.00 0.29 C ATOM 355 C ALA A 22 11.231 -3.654 4.544 1.00 0.31 C ATOM 356 O ALA A 22 12.325 -3.134 4.728 1.00 0.35 O ATOM 357 CB ALA A 22 10.208 -3.015 2.345 1.00 0.30 C ATOM 0 H ALA A 22 8.947 -5.050 2.989 1.00 0.28 H new ATOM 0 HA ALA A 22 11.728 -4.478 2.647 1.00 0.29 H new ATOM 0 HB1 ALA A 22 10.904 -2.178 2.300 1.00 0.30 H new ATOM 0 HB2 ALA A 22 9.996 -3.366 1.335 1.00 0.30 H new ATOM 0 HB3 ALA A 22 9.281 -2.691 2.818 1.00 0.30 H new ATOM 363 N MET A 23 10.335 -3.784 5.511 1.00 0.30 N ATOM 364 CA MET A 23 10.653 -3.402 6.883 1.00 0.35 C ATOM 365 C MET A 23 11.624 -4.396 7.502 1.00 0.40 C ATOM 366 O MET A 23 12.495 -4.019 8.287 1.00 0.46 O ATOM 367 CB MET A 23 9.385 -3.281 7.726 1.00 0.33 C ATOM 368 CG MET A 23 8.561 -2.071 7.350 1.00 0.38 C ATOM 369 SD MET A 23 9.513 -0.549 7.483 1.00 0.72 S ATOM 370 CE MET A 23 8.791 0.394 6.154 1.00 0.53 C ATOM 0 H MET A 23 9.391 -4.147 5.376 1.00 0.30 H new ATOM 0 HA MET A 23 11.133 -2.423 6.861 1.00 0.35 H new ATOM 0 HB2 MET A 23 8.782 -4.181 7.603 1.00 0.33 H new ATOM 0 HB3 MET A 23 9.656 -3.220 8.780 1.00 0.33 H new ATOM 0 HG2 MET A 23 8.195 -2.183 6.329 1.00 0.38 H new ATOM 0 HG3 MET A 23 7.686 -2.011 7.998 1.00 0.38 H new ATOM 0 HE1 MET A 23 9.489 0.437 5.318 1.00 0.53 H new ATOM 0 HE2 MET A 23 7.866 -0.083 5.831 1.00 0.53 H new ATOM 0 HE3 MET A 23 8.577 1.405 6.500 1.00 0.53 H new ATOM 380 N GLY A 24 11.479 -5.662 7.131 1.00 0.40 N ATOM 381 CA GLY A 24 12.432 -6.673 7.542 1.00 0.48 C ATOM 382 C GLY A 24 13.709 -6.622 6.722 1.00 0.46 C ATOM 383 O GLY A 24 14.624 -7.414 6.935 1.00 0.57 O ATOM 0 H GLY A 24 10.715 -6.007 6.550 1.00 0.40 H new ATOM 0 HA2 GLY A 24 12.673 -6.536 8.596 1.00 0.48 H new ATOM 0 HA3 GLY A 24 11.978 -7.659 7.444 1.00 0.48 H new ATOM 387 N MET A 25 13.764 -5.691 5.775 1.00 0.44 N ATOM 388 CA MET A 25 14.952 -5.493 4.957 1.00 0.46 C ATOM 389 C MET A 25 16.075 -4.896 5.789 1.00 0.48 C ATOM 390 O MET A 25 15.913 -3.838 6.396 1.00 0.57 O ATOM 391 CB MET A 25 14.658 -4.560 3.781 1.00 0.56 C ATOM 392 CG MET A 25 15.902 -4.189 2.999 1.00 0.53 C ATOM 393 SD MET A 25 16.053 -2.424 2.672 1.00 1.04 S ATOM 394 CE MET A 25 14.685 -2.166 1.558 1.00 0.76 C ATOM 0 H MET A 25 12.994 -5.059 5.555 1.00 0.44 H new ATOM 0 HA MET A 25 15.255 -6.468 4.574 1.00 0.46 H new ATOM 0 HB2 MET A 25 13.944 -5.040 3.112 1.00 0.56 H new ATOM 0 HB3 MET A 25 14.185 -3.652 4.154 1.00 0.56 H new ATOM 0 HG2 MET A 25 16.780 -4.524 3.551 1.00 0.53 H new ATOM 0 HG3 MET A 25 15.898 -4.726 2.051 1.00 0.53 H new ATOM 0 HE1 MET A 25 14.949 -1.399 0.829 1.00 0.76 H new ATOM 0 HE2 MET A 25 14.458 -3.097 1.039 1.00 0.76 H new ATOM 0 HE3 MET A 25 13.811 -1.844 2.124 1.00 0.76 H new ATOM 404 N SER A 26 17.214 -5.558 5.797 1.00 0.54 N ATOM 405 CA SER A 26 18.356 -5.082 6.548 1.00 0.65 C ATOM 406 C SER A 26 19.163 -4.073 5.746 1.00 0.79 C ATOM 407 O SER A 26 20.212 -4.382 5.178 1.00 1.68 O ATOM 408 CB SER A 26 19.222 -6.252 6.971 1.00 0.79 C ATOM 409 OG SER A 26 19.545 -7.084 5.865 1.00 1.67 O ATOM 0 H SER A 26 17.373 -6.429 5.291 1.00 0.54 H new ATOM 0 HA SER A 26 17.992 -4.573 7.441 1.00 0.65 H new ATOM 0 HB2 SER A 26 20.139 -5.881 7.429 1.00 0.79 H new ATOM 0 HB3 SER A 26 18.701 -6.837 7.729 1.00 0.79 H new ATOM 0 HG SER A 26 19.972 -6.547 5.165 1.00 1.67 H new ATOM 415 N TYR A 27 18.659 -2.861 5.710 1.00 0.54 N ATOM 416 CA TYR A 27 19.311 -1.772 5.009 1.00 0.44 C ATOM 417 C TYR A 27 20.399 -1.163 5.886 1.00 0.43 C ATOM 418 O TYR A 27 21.156 -0.302 5.449 1.00 0.40 O ATOM 419 CB TYR A 27 18.271 -0.714 4.648 1.00 0.40 C ATOM 420 CG TYR A 27 17.630 -0.089 5.862 1.00 0.38 C ATOM 421 CD1 TYR A 27 16.513 -0.655 6.461 1.00 1.31 C ATOM 422 CD2 TYR A 27 18.171 1.052 6.427 1.00 1.19 C ATOM 423 CE1 TYR A 27 15.957 -0.093 7.589 1.00 1.32 C ATOM 424 CE2 TYR A 27 17.627 1.622 7.554 1.00 1.24 C ATOM 425 CZ TYR A 27 16.519 1.047 8.139 1.00 0.50 C ATOM 426 OH TYR A 27 15.969 1.617 9.265 1.00 0.61 O ATOM 0 H TYR A 27 17.785 -2.599 6.165 1.00 0.54 H new ATOM 0 HA TYR A 27 19.773 -2.150 4.097 1.00 0.44 H new ATOM 0 HB2 TYR A 27 18.744 0.065 4.050 1.00 0.40 H new ATOM 0 HB3 TYR A 27 17.498 -1.167 4.027 1.00 0.40 H new ATOM 0 HD1 TYR A 27 16.075 -1.547 6.038 1.00 1.31 H new ATOM 0 HD2 TYR A 27 19.040 1.505 5.973 1.00 1.19 H new ATOM 0 HE1 TYR A 27 15.085 -0.540 8.043 1.00 1.32 H new ATOM 0 HE2 TYR A 27 18.065 2.514 7.978 1.00 1.24 H new ATOM 0 HH TYR A 27 15.004 1.446 9.280 1.00 0.61 H new ATOM 436 N GLN A 28 20.464 -1.629 7.131 1.00 0.55 N ATOM 437 CA GLN A 28 21.399 -1.098 8.122 1.00 0.63 C ATOM 438 C GLN A 28 22.853 -1.387 7.755 1.00 0.66 C ATOM 439 O GLN A 28 23.771 -0.825 8.351 1.00 0.77 O ATOM 440 CB GLN A 28 21.094 -1.690 9.497 1.00 0.74 C ATOM 441 CG GLN A 28 21.246 -3.200 9.547 1.00 1.35 C ATOM 442 CD GLN A 28 20.976 -3.773 10.922 1.00 1.68 C ATOM 443 OE1 GLN A 28 20.089 -3.136 11.669 1.00 2.31 O flip ATOM 444 NE2 GLN A 28 21.559 -4.788 11.304 1.00 1.92 N flip ATOM 0 H GLN A 28 19.873 -2.383 7.481 1.00 0.55 H new ATOM 0 HA GLN A 28 21.269 -0.016 8.143 1.00 0.63 H new ATOM 0 HB2 GLN A 28 21.759 -1.240 10.234 1.00 0.74 H new ATOM 0 HB3 GLN A 28 20.076 -1.424 9.782 1.00 0.74 H new ATOM 0 HG2 GLN A 28 20.562 -3.653 8.829 1.00 1.35 H new ATOM 0 HG3 GLN A 28 22.256 -3.469 9.239 1.00 1.35 H new ATOM 0 HE21 GLN A 28 22.236 -5.247 10.695 1.00 1.92 H new ATOM 0 HE22 GLN A 28 21.365 -5.170 12.230 1.00 1.92 H new ATOM 453 N ASP A 29 23.064 -2.272 6.790 1.00 0.68 N ATOM 454 CA ASP A 29 24.411 -2.574 6.323 1.00 0.81 C ATOM 455 C ASP A 29 24.863 -1.493 5.347 1.00 0.70 C ATOM 456 O ASP A 29 26.056 -1.273 5.138 1.00 0.86 O ATOM 457 CB ASP A 29 24.453 -3.953 5.659 1.00 0.95 C ATOM 458 CG ASP A 29 25.865 -4.403 5.331 1.00 1.66 C ATOM 459 OD1 ASP A 29 26.785 -4.121 6.125 1.00 2.34 O ATOM 460 OD2 ASP A 29 26.054 -5.072 4.292 1.00 2.31 O ATOM 0 H ASP A 29 22.324 -2.791 6.317 1.00 0.68 H new ATOM 0 HA ASP A 29 25.090 -2.591 7.175 1.00 0.81 H new ATOM 0 HB2 ASP A 29 23.987 -4.684 6.320 1.00 0.95 H new ATOM 0 HB3 ASP A 29 23.862 -3.929 4.743 1.00 0.95 H new ATOM 465 N ALA A 30 23.888 -0.801 4.774 1.00 0.55 N ATOM 466 CA ALA A 30 24.154 0.302 3.870 1.00 0.48 C ATOM 467 C ALA A 30 24.503 1.554 4.670 1.00 0.44 C ATOM 468 O ALA A 30 23.985 1.747 5.771 1.00 0.47 O ATOM 469 CB ALA A 30 22.939 0.551 2.985 1.00 0.47 C ATOM 0 H ALA A 30 22.897 -0.989 4.923 1.00 0.55 H new ATOM 0 HA ALA A 30 25.001 0.050 3.232 1.00 0.48 H new ATOM 0 HB1 ALA A 30 23.145 1.380 2.309 1.00 0.47 H new ATOM 0 HB2 ALA A 30 22.722 -0.345 2.404 1.00 0.47 H new ATOM 0 HB3 ALA A 30 22.079 0.796 3.608 1.00 0.47 H new ATOM 475 N PRO A 31 25.394 2.409 4.132 1.00 0.45 N ATOM 476 CA PRO A 31 25.839 3.636 4.802 1.00 0.48 C ATOM 477 C PRO A 31 24.700 4.517 5.272 1.00 0.41 C ATOM 478 O PRO A 31 23.580 4.401 4.779 1.00 0.34 O ATOM 479 CB PRO A 31 26.620 4.381 3.728 1.00 0.57 C ATOM 480 CG PRO A 31 27.092 3.323 2.797 1.00 0.56 C ATOM 481 CD PRO A 31 26.056 2.231 2.832 1.00 0.50 C ATOM 0 HA PRO A 31 26.409 3.389 5.698 1.00 0.48 H new ATOM 0 HB2 PRO A 31 25.991 5.108 3.214 1.00 0.57 H new ATOM 0 HB3 PRO A 31 27.457 4.931 4.158 1.00 0.57 H new ATOM 0 HG2 PRO A 31 27.206 3.717 1.787 1.00 0.56 H new ATOM 0 HG3 PRO A 31 28.067 2.943 3.103 1.00 0.56 H new ATOM 0 HD2 PRO A 31 25.349 2.325 2.008 1.00 0.50 H new ATOM 0 HD3 PRO A 31 26.513 1.245 2.749 1.00 0.50 H new ATOM 489 N ASN A 32 25.001 5.414 6.192 1.00 0.45 N ATOM 490 CA ASN A 32 23.993 6.240 6.843 1.00 0.41 C ATOM 491 C ASN A 32 23.039 6.897 5.849 1.00 0.38 C ATOM 492 O ASN A 32 21.831 6.833 6.031 1.00 0.37 O ATOM 493 CB ASN A 32 24.662 7.309 7.716 1.00 0.50 C ATOM 494 CG ASN A 32 25.450 8.352 6.930 1.00 1.48 C ATOM 495 OD1 ASN A 32 26.015 8.071 5.871 1.00 2.40 O ATOM 496 ND2 ASN A 32 25.479 9.572 7.440 1.00 1.87 N ATOM 0 H ASN A 32 25.953 5.593 6.512 1.00 0.45 H new ATOM 0 HA ASN A 32 23.397 5.576 7.469 1.00 0.41 H new ATOM 0 HB2 ASN A 32 23.896 7.815 8.303 1.00 0.50 H new ATOM 0 HB3 ASN A 32 25.332 6.819 8.422 1.00 0.50 H new ATOM 0 HD21 ASN A 32 25.980 10.316 6.955 1.00 1.87 H new ATOM 0 HD22 ASN A 32 25.000 9.769 8.319 1.00 1.87 H new ATOM 503 N ASN A 33 23.566 7.496 4.795 1.00 0.42 N ATOM 504 CA ASN A 33 22.729 8.220 3.850 1.00 0.45 C ATOM 505 C ASN A 33 21.985 7.272 2.916 1.00 0.41 C ATOM 506 O ASN A 33 20.860 7.564 2.519 1.00 0.40 O ATOM 507 CB ASN A 33 23.541 9.245 3.062 1.00 0.58 C ATOM 508 CG ASN A 33 24.714 8.638 2.310 1.00 1.43 C ATOM 509 OD1 ASN A 33 24.581 8.230 1.158 1.00 2.14 O ATOM 510 ND2 ASN A 33 25.873 8.576 2.954 1.00 2.17 N ATOM 0 H ASN A 33 24.561 7.497 4.572 1.00 0.42 H new ATOM 0 HA ASN A 33 21.981 8.761 4.429 1.00 0.45 H new ATOM 0 HB2 ASN A 33 22.885 9.748 2.352 1.00 0.58 H new ATOM 0 HB3 ASN A 33 23.913 10.007 3.747 1.00 0.58 H new ATOM 0 HD21 ASN A 33 26.692 8.180 2.493 1.00 2.17 H new ATOM 0 HD22 ASN A 33 25.945 8.925 3.910 1.00 2.17 H new ATOM 517 N VAL A 34 22.585 6.126 2.597 1.00 0.42 N ATOM 518 CA VAL A 34 21.886 5.119 1.805 1.00 0.46 C ATOM 519 C VAL A 34 20.750 4.559 2.633 1.00 0.39 C ATOM 520 O VAL A 34 19.612 4.476 2.178 1.00 0.39 O ATOM 521 CB VAL A 34 22.787 3.947 1.350 1.00 0.60 C ATOM 522 CG1 VAL A 34 22.014 3.021 0.423 1.00 1.39 C ATOM 523 CG2 VAL A 34 24.048 4.441 0.661 1.00 0.61 C ATOM 0 H VAL A 34 23.536 5.876 2.869 1.00 0.42 H new ATOM 0 HA VAL A 34 21.533 5.616 0.901 1.00 0.46 H new ATOM 0 HB VAL A 34 23.089 3.397 2.241 1.00 0.60 H new ATOM 0 HG11 VAL A 34 22.658 2.200 0.109 1.00 1.39 H new ATOM 0 HG12 VAL A 34 21.147 2.621 0.948 1.00 1.39 H new ATOM 0 HG13 VAL A 34 21.682 3.578 -0.454 1.00 1.39 H new ATOM 0 HG21 VAL A 34 24.654 3.588 0.356 1.00 0.61 H new ATOM 0 HG22 VAL A 34 23.777 5.026 -0.218 1.00 0.61 H new ATOM 0 HG23 VAL A 34 24.619 5.064 1.350 1.00 0.61 H new ATOM 533 N ARG A 35 21.064 4.200 3.873 1.00 0.37 N ATOM 534 CA ARG A 35 20.059 3.694 4.784 1.00 0.37 C ATOM 535 C ARG A 35 19.048 4.777 5.112 1.00 0.32 C ATOM 536 O ARG A 35 17.904 4.475 5.385 1.00 0.36 O ATOM 537 CB ARG A 35 20.656 3.055 6.048 1.00 0.42 C ATOM 538 CG ARG A 35 21.442 3.954 6.982 1.00 0.40 C ATOM 539 CD ARG A 35 21.889 3.148 8.194 1.00 0.50 C ATOM 540 NE ARG A 35 22.560 3.946 9.219 1.00 1.03 N ATOM 541 CZ ARG A 35 22.670 3.557 10.493 1.00 1.33 C ATOM 542 NH1 ARG A 35 22.096 2.429 10.897 1.00 1.61 N ATOM 543 NH2 ARG A 35 23.336 4.298 11.365 1.00 2.14 N ATOM 0 H ARG A 35 22.005 4.252 4.264 1.00 0.37 H new ATOM 0 HA ARG A 35 19.538 2.884 4.272 1.00 0.37 H new ATOM 0 HB2 ARG A 35 19.840 2.610 6.617 1.00 0.42 H new ATOM 0 HB3 ARG A 35 21.309 2.240 5.736 1.00 0.42 H new ATOM 0 HG2 ARG A 35 22.308 4.367 6.465 1.00 0.40 H new ATOM 0 HG3 ARG A 35 20.827 4.797 7.297 1.00 0.40 H new ATOM 0 HD2 ARG A 35 21.019 2.662 8.637 1.00 0.50 H new ATOM 0 HD3 ARG A 35 22.562 2.357 7.864 1.00 0.50 H new ATOM 0 HE ARG A 35 22.964 4.843 8.949 1.00 1.03 H new ATOM 0 HH11 ARG A 35 21.570 1.858 10.235 1.00 1.61 H new ATOM 0 HH12 ARG A 35 22.181 2.133 11.870 1.00 1.61 H new ATOM 0 HH21 ARG A 35 23.769 5.172 11.066 1.00 2.14 H new ATOM 0 HH22 ARG A 35 23.416 3.995 12.336 1.00 2.14 H new ATOM 557 N ARG A 36 19.491 6.028 5.139 1.00 0.29 N ATOM 558 CA ARG A 36 18.588 7.176 5.234 1.00 0.29 C ATOM 559 C ARG A 36 17.645 7.272 4.038 1.00 0.28 C ATOM 560 O ARG A 36 16.526 7.754 4.171 1.00 0.29 O ATOM 561 CB ARG A 36 19.347 8.482 5.376 1.00 0.33 C ATOM 562 CG ARG A 36 19.509 8.958 6.812 1.00 0.45 C ATOM 563 CD ARG A 36 19.458 7.818 7.819 1.00 0.75 C ATOM 564 NE ARG A 36 19.834 8.261 9.159 1.00 1.43 N ATOM 565 CZ ARG A 36 19.100 8.053 10.252 1.00 2.20 C ATOM 566 NH1 ARG A 36 17.914 7.466 10.168 1.00 2.57 N ATOM 567 NH2 ARG A 36 19.547 8.450 11.434 1.00 3.03 N ATOM 0 H ARG A 36 20.479 6.278 5.096 1.00 0.29 H new ATOM 0 HA ARG A 36 17.994 7.010 6.133 1.00 0.29 H new ATOM 0 HB2 ARG A 36 20.335 8.365 4.931 1.00 0.33 H new ATOM 0 HB3 ARG A 36 18.830 9.254 4.806 1.00 0.33 H new ATOM 0 HG2 ARG A 36 20.459 9.483 6.911 1.00 0.45 H new ATOM 0 HG3 ARG A 36 18.723 9.677 7.043 1.00 0.45 H new ATOM 0 HD2 ARG A 36 18.452 7.399 7.844 1.00 0.75 H new ATOM 0 HD3 ARG A 36 20.128 7.020 7.499 1.00 0.75 H new ATOM 0 HE ARG A 36 20.716 8.762 9.265 1.00 1.43 H new ATOM 0 HH11 ARG A 36 17.555 7.169 9.261 1.00 2.57 H new ATOM 0 HH12 ARG A 36 17.361 7.312 11.011 1.00 2.57 H new ATOM 0 HH21 ARG A 36 20.452 8.914 11.507 1.00 3.03 H new ATOM 0 HH22 ARG A 36 18.986 8.291 12.271 1.00 3.03 H new ATOM 581 N ASP A 37 18.103 6.895 2.858 1.00 0.30 N ATOM 582 CA ASP A 37 17.197 6.814 1.718 1.00 0.30 C ATOM 583 C ASP A 37 16.131 5.761 1.994 1.00 0.25 C ATOM 584 O ASP A 37 14.964 5.928 1.642 1.00 0.24 O ATOM 585 CB ASP A 37 17.946 6.522 0.419 1.00 0.37 C ATOM 586 CG ASP A 37 18.607 7.765 -0.144 1.00 0.67 C ATOM 587 OD1 ASP A 37 17.879 8.709 -0.521 1.00 1.31 O ATOM 588 OD2 ASP A 37 19.849 7.815 -0.209 1.00 1.19 O ATOM 0 H ASP A 37 19.072 6.645 2.662 1.00 0.30 H new ATOM 0 HA ASP A 37 16.715 7.782 1.586 1.00 0.30 H new ATOM 0 HB2 ASP A 37 18.703 5.759 0.600 1.00 0.37 H new ATOM 0 HB3 ASP A 37 17.252 6.115 -0.317 1.00 0.37 H new ATOM 593 N LEU A 38 16.536 4.688 2.669 1.00 0.24 N ATOM 594 CA LEU A 38 15.584 3.714 3.188 1.00 0.22 C ATOM 595 C LEU A 38 14.828 4.301 4.376 1.00 0.23 C ATOM 596 O LEU A 38 13.752 3.843 4.711 1.00 0.24 O ATOM 597 CB LEU A 38 16.244 2.391 3.596 1.00 0.29 C ATOM 598 CG LEU A 38 16.819 1.533 2.460 1.00 0.30 C ATOM 599 CD1 LEU A 38 16.126 1.801 1.135 1.00 0.64 C ATOM 600 CD2 LEU A 38 18.305 1.748 2.338 1.00 0.47 C ATOM 0 H LEU A 38 17.513 4.473 2.868 1.00 0.24 H new ATOM 0 HA LEU A 38 14.891 3.490 2.377 1.00 0.22 H new ATOM 0 HB2 LEU A 38 17.049 2.613 4.297 1.00 0.29 H new ATOM 0 HB3 LEU A 38 15.508 1.795 4.135 1.00 0.29 H new ATOM 0 HG LEU A 38 16.634 0.489 2.714 1.00 0.30 H new ATOM 0 HD11 LEU A 38 16.565 1.172 0.361 1.00 0.64 H new ATOM 0 HD12 LEU A 38 15.064 1.574 1.227 1.00 0.64 H new ATOM 0 HD13 LEU A 38 16.251 2.850 0.865 1.00 0.64 H new ATOM 0 HD21 LEU A 38 18.696 1.132 1.528 1.00 0.47 H new ATOM 0 HD22 LEU A 38 18.504 2.798 2.124 1.00 0.47 H new ATOM 0 HD23 LEU A 38 18.791 1.469 3.273 1.00 0.47 H new ATOM 612 N ASP A 39 15.441 5.263 5.056 1.00 0.25 N ATOM 613 CA ASP A 39 14.779 6.003 6.128 1.00 0.28 C ATOM 614 C ASP A 39 13.613 6.798 5.557 1.00 0.28 C ATOM 615 O ASP A 39 12.563 6.923 6.180 1.00 0.32 O ATOM 616 CB ASP A 39 15.756 6.928 6.850 1.00 0.32 C ATOM 617 CG ASP A 39 15.132 7.604 8.050 1.00 0.71 C ATOM 618 OD1 ASP A 39 15.174 7.014 9.148 1.00 1.33 O ATOM 619 OD2 ASP A 39 14.610 8.728 7.902 1.00 1.59 O ATOM 0 H ASP A 39 16.404 5.552 4.883 1.00 0.25 H new ATOM 0 HA ASP A 39 14.403 5.288 6.860 1.00 0.28 H new ATOM 0 HB2 ASP A 39 16.625 6.354 7.171 1.00 0.32 H new ATOM 0 HB3 ASP A 39 16.114 7.687 6.155 1.00 0.32 H new ATOM 624 N ASN A 40 13.809 7.318 4.353 1.00 0.26 N ATOM 625 CA ASN A 40 12.738 7.953 3.597 1.00 0.26 C ATOM 626 C ASN A 40 11.744 6.903 3.145 1.00 0.23 C ATOM 627 O ASN A 40 10.538 7.133 3.174 1.00 0.25 O ATOM 628 CB ASN A 40 13.294 8.719 2.396 1.00 0.28 C ATOM 629 CG ASN A 40 13.849 10.078 2.783 1.00 0.68 C ATOM 630 OD1 ASN A 40 13.130 11.077 2.766 1.00 1.13 O ATOM 631 ND2 ASN A 40 15.125 10.129 3.139 1.00 1.22 N ATOM 0 H ASN A 40 14.710 7.312 3.875 1.00 0.26 H new ATOM 0 HA ASN A 40 12.232 8.671 4.243 1.00 0.26 H new ATOM 0 HB2 ASN A 40 14.080 8.129 1.925 1.00 0.28 H new ATOM 0 HB3 ASN A 40 12.505 8.849 1.655 1.00 0.28 H new ATOM 0 HD21 ASN A 40 15.543 11.018 3.412 1.00 1.22 H new ATOM 0 HD22 ASN A 40 15.688 9.279 3.140 1.00 1.22 H new ATOM 638 N LEU A 41 12.253 5.741 2.740 1.00 0.21 N ATOM 639 CA LEU A 41 11.397 4.601 2.442 1.00 0.21 C ATOM 640 C LEU A 41 10.562 4.269 3.672 1.00 0.22 C ATOM 641 O LEU A 41 9.384 3.969 3.572 1.00 0.24 O ATOM 642 CB LEU A 41 12.227 3.386 2.024 1.00 0.21 C ATOM 643 CG LEU A 41 11.417 2.127 1.699 1.00 0.58 C ATOM 644 CD1 LEU A 41 10.476 2.381 0.532 1.00 0.39 C ATOM 645 CD2 LEU A 41 12.345 0.960 1.401 1.00 1.20 C ATOM 0 H LEU A 41 13.250 5.567 2.612 1.00 0.21 H new ATOM 0 HA LEU A 41 10.742 4.859 1.610 1.00 0.21 H new ATOM 0 HB2 LEU A 41 12.820 3.654 1.149 1.00 0.21 H new ATOM 0 HB3 LEU A 41 12.928 3.151 2.825 1.00 0.21 H new ATOM 0 HG LEU A 41 10.814 1.870 2.570 1.00 0.58 H new ATOM 0 HD11 LEU A 41 9.910 1.475 0.317 1.00 0.39 H new ATOM 0 HD12 LEU A 41 9.788 3.186 0.788 1.00 0.39 H new ATOM 0 HD13 LEU A 41 11.055 2.664 -0.347 1.00 0.39 H new ATOM 0 HD21 LEU A 41 11.753 0.074 1.172 1.00 1.20 H new ATOM 0 HD22 LEU A 41 12.976 1.206 0.547 1.00 1.20 H new ATOM 0 HD23 LEU A 41 12.972 0.763 2.270 1.00 1.20 H new ATOM 657 N HIS A 42 11.181 4.367 4.839 1.00 0.27 N ATOM 658 CA HIS A 42 10.498 4.114 6.092 1.00 0.35 C ATOM 659 C HIS A 42 9.452 5.168 6.350 1.00 0.39 C ATOM 660 O HIS A 42 8.288 4.845 6.480 1.00 0.47 O ATOM 661 CB HIS A 42 11.489 4.059 7.260 1.00 0.40 C ATOM 662 CG HIS A 42 12.055 2.696 7.462 1.00 0.54 C ATOM 663 ND1 HIS A 42 12.139 1.664 6.604 1.00 1.01 N flip ATOM 664 CD2 HIS A 42 12.583 2.251 8.652 1.00 0.94 C flip ATOM 665 CE1 HIS A 42 12.708 0.611 7.278 1.00 1.19 C flip ATOM 666 NE2 HIS A 42 12.965 0.996 8.516 1.00 1.15 N flip ATOM 0 H HIS A 42 12.163 4.622 4.941 1.00 0.27 H new ATOM 0 HA HIS A 42 10.007 3.144 6.013 1.00 0.35 H new ATOM 0 HB2 HIS A 42 12.301 4.763 7.077 1.00 0.40 H new ATOM 0 HB3 HIS A 42 10.988 4.380 8.173 1.00 0.40 H new ATOM 0 HD1 HIS A 42 11.836 1.663 5.630 1.00 1.01 H new ATOM 0 HD2 HIS A 42 12.671 2.837 9.555 1.00 0.94 H new ATOM 0 HE1 HIS A 42 12.911 -0.366 6.866 1.00 1.19 H new ATOM 675 N ALA A 43 9.856 6.425 6.353 1.00 0.42 N ATOM 676 CA ALA A 43 8.943 7.510 6.668 1.00 0.49 C ATOM 677 C ALA A 43 7.771 7.544 5.698 1.00 0.48 C ATOM 678 O ALA A 43 6.619 7.604 6.119 1.00 0.51 O ATOM 679 CB ALA A 43 9.681 8.842 6.650 1.00 0.56 C ATOM 0 H ALA A 43 10.809 6.720 6.141 1.00 0.42 H new ATOM 0 HA ALA A 43 8.547 7.337 7.669 1.00 0.49 H new ATOM 0 HB1 ALA A 43 8.985 9.647 6.888 1.00 0.56 H new ATOM 0 HB2 ALA A 43 10.482 8.824 7.389 1.00 0.56 H new ATOM 0 HB3 ALA A 43 10.105 9.010 5.660 1.00 0.56 H new ATOM 685 N CYS A 44 8.069 7.488 4.409 1.00 0.44 N ATOM 686 CA CYS A 44 7.041 7.578 3.381 1.00 0.46 C ATOM 687 C CYS A 44 6.185 6.311 3.268 1.00 0.42 C ATOM 688 O CYS A 44 4.986 6.404 3.047 1.00 0.43 O ATOM 689 CB CYS A 44 7.659 7.918 2.035 1.00 0.47 C ATOM 690 SG CYS A 44 8.853 9.275 2.096 1.00 1.61 S ATOM 0 H CYS A 44 9.017 7.380 4.048 1.00 0.44 H new ATOM 0 HA CYS A 44 6.371 8.381 3.688 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.153 7.031 1.639 1.00 0.47 H new ATOM 0 HB3 CYS A 44 6.864 8.179 1.337 1.00 0.47 H new ATOM 0 HG CYS A 44 9.980 8.840 2.576 1.00 1.61 H new ATOM 696 N LEU A 45 6.789 5.129 3.388 1.00 0.39 N ATOM 697 CA LEU A 45 6.029 3.878 3.255 1.00 0.38 C ATOM 698 C LEU A 45 5.283 3.571 4.551 1.00 0.36 C ATOM 699 O LEU A 45 4.224 2.935 4.553 1.00 0.35 O ATOM 700 CB LEU A 45 6.952 2.716 2.875 1.00 0.39 C ATOM 701 CG LEU A 45 6.260 1.390 2.560 1.00 0.95 C ATOM 702 CD1 LEU A 45 5.352 1.537 1.348 1.00 0.69 C ATOM 703 CD2 LEU A 45 7.295 0.299 2.323 1.00 1.87 C ATOM 0 H LEU A 45 7.785 5.007 3.574 1.00 0.39 H new ATOM 0 HA LEU A 45 5.299 4.004 2.455 1.00 0.38 H new ATOM 0 HB2 LEU A 45 7.539 3.013 2.006 1.00 0.39 H new ATOM 0 HB3 LEU A 45 7.654 2.552 3.693 1.00 0.39 H new ATOM 0 HG LEU A 45 5.646 1.106 3.415 1.00 0.95 H new ATOM 0 HD11 LEU A 45 4.868 0.583 1.138 1.00 0.69 H new ATOM 0 HD12 LEU A 45 4.593 2.292 1.551 1.00 0.69 H new ATOM 0 HD13 LEU A 45 5.944 1.841 0.485 1.00 0.69 H new ATOM 0 HD21 LEU A 45 6.789 -0.640 2.100 1.00 1.87 H new ATOM 0 HD22 LEU A 45 7.931 0.577 1.483 1.00 1.87 H new ATOM 0 HD23 LEU A 45 7.907 0.178 3.217 1.00 1.87 H new ATOM 715 N ASN A 46 5.844 4.014 5.657 1.00 0.40 N ATOM 716 CA ASN A 46 5.141 3.980 6.925 1.00 0.45 C ATOM 717 C ASN A 46 3.973 4.967 6.863 1.00 0.43 C ATOM 718 O ASN A 46 2.850 4.637 7.244 1.00 0.42 O ATOM 719 CB ASN A 46 6.117 4.281 8.073 1.00 0.53 C ATOM 720 CG ASN A 46 5.455 4.925 9.279 1.00 0.59 C ATOM 721 OD1 ASN A 46 5.342 6.147 9.359 1.00 1.25 O ATOM 722 ND2 ASN A 46 5.030 4.109 10.229 1.00 1.00 N ATOM 0 H ASN A 46 6.786 4.403 5.705 1.00 0.40 H new ATOM 0 HA ASN A 46 4.732 2.988 7.117 1.00 0.45 H new ATOM 0 HB2 ASN A 46 6.596 3.353 8.384 1.00 0.53 H new ATOM 0 HB3 ASN A 46 6.905 4.939 7.706 1.00 0.53 H new ATOM 0 HD21 ASN A 46 4.589 4.488 11.067 1.00 1.00 H new ATOM 0 HD22 ASN A 46 5.143 3.101 10.123 1.00 1.00 H new ATOM 729 N LYS A 47 4.251 6.160 6.338 1.00 0.49 N ATOM 730 CA LYS A 47 3.216 7.131 5.979 1.00 0.47 C ATOM 731 C LYS A 47 2.157 6.508 5.075 1.00 0.42 C ATOM 732 O LYS A 47 0.975 6.776 5.230 1.00 0.43 O ATOM 733 CB LYS A 47 3.868 8.302 5.236 1.00 0.53 C ATOM 734 CG LYS A 47 2.916 9.408 4.823 1.00 1.02 C ATOM 735 CD LYS A 47 3.457 10.202 3.642 1.00 1.07 C ATOM 736 CE LYS A 47 3.575 9.340 2.395 1.00 1.30 C ATOM 737 NZ LYS A 47 4.042 10.120 1.218 1.00 2.15 N ATOM 0 H LYS A 47 5.200 6.481 6.149 1.00 0.49 H new ATOM 0 HA LYS A 47 2.733 7.470 6.896 1.00 0.47 H new ATOM 0 HB2 LYS A 47 4.644 8.729 5.871 1.00 0.53 H new ATOM 0 HB3 LYS A 47 4.363 7.917 4.344 1.00 0.53 H new ATOM 0 HG2 LYS A 47 1.950 8.978 4.561 1.00 1.02 H new ATOM 0 HG3 LYS A 47 2.748 10.078 5.666 1.00 1.02 H new ATOM 0 HD2 LYS A 47 2.800 11.048 3.440 1.00 1.07 H new ATOM 0 HD3 LYS A 47 4.435 10.612 3.896 1.00 1.07 H new ATOM 0 HE2 LYS A 47 4.269 8.521 2.585 1.00 1.30 H new ATOM 0 HE3 LYS A 47 2.607 8.892 2.172 1.00 1.30 H new ATOM 0 HZ1 LYS A 47 4.108 9.494 0.390 1.00 2.15 H new ATOM 0 HZ2 LYS A 47 3.367 10.886 1.019 1.00 2.15 H new ATOM 0 HZ3 LYS A 47 4.978 10.527 1.420 1.00 2.15 H new ATOM 751 N ALA A 48 2.596 5.683 4.131 1.00 0.40 N ATOM 752 CA ALA A 48 1.697 5.023 3.190 1.00 0.38 C ATOM 753 C ALA A 48 0.654 4.193 3.918 1.00 0.36 C ATOM 754 O ALA A 48 -0.520 4.199 3.560 1.00 0.36 O ATOM 755 CB ALA A 48 2.483 4.142 2.236 1.00 0.41 C ATOM 0 H ALA A 48 3.581 5.453 3.996 1.00 0.40 H new ATOM 0 HA ALA A 48 1.183 5.798 2.621 1.00 0.38 H new ATOM 0 HB1 ALA A 48 1.798 3.657 1.541 1.00 0.41 H new ATOM 0 HB2 ALA A 48 3.194 4.752 1.679 1.00 0.41 H new ATOM 0 HB3 ALA A 48 3.023 3.383 2.803 1.00 0.41 H new ATOM 761 N LYS A 49 1.081 3.497 4.958 1.00 0.37 N ATOM 762 CA LYS A 49 0.168 2.672 5.730 1.00 0.41 C ATOM 763 C LYS A 49 -0.760 3.546 6.560 1.00 0.46 C ATOM 764 O LYS A 49 -1.876 3.154 6.884 1.00 0.56 O ATOM 765 CB LYS A 49 0.948 1.717 6.628 1.00 0.41 C ATOM 766 CG LYS A 49 1.761 0.703 5.849 1.00 0.39 C ATOM 767 CD LYS A 49 2.480 -0.258 6.767 1.00 0.42 C ATOM 768 CE LYS A 49 3.629 0.415 7.497 1.00 0.45 C ATOM 769 NZ LYS A 49 4.673 0.907 6.560 1.00 1.03 N ATOM 0 H LYS A 49 2.047 3.486 5.285 1.00 0.37 H new ATOM 0 HA LYS A 49 -0.437 2.082 5.041 1.00 0.41 H new ATOM 0 HB2 LYS A 49 1.615 2.293 7.270 1.00 0.41 H new ATOM 0 HB3 LYS A 49 0.252 1.191 7.282 1.00 0.41 H new ATOM 0 HG2 LYS A 49 1.105 0.146 5.180 1.00 0.39 H new ATOM 0 HG3 LYS A 49 2.487 1.222 5.223 1.00 0.39 H new ATOM 0 HD2 LYS A 49 1.775 -0.664 7.493 1.00 0.42 H new ATOM 0 HD3 LYS A 49 2.860 -1.099 6.187 1.00 0.42 H new ATOM 0 HE2 LYS A 49 3.246 1.250 8.084 1.00 0.45 H new ATOM 0 HE3 LYS A 49 4.075 -0.290 8.199 1.00 0.45 H new ATOM 0 HZ1 LYS A 49 5.511 1.205 7.099 1.00 1.03 H new ATOM 0 HZ2 LYS A 49 4.937 0.145 5.903 1.00 1.03 H new ATOM 0 HZ3 LYS A 49 4.303 1.716 6.021 1.00 1.03 H new ATOM 783 N LEU A 50 -0.284 4.738 6.884 1.00 0.44 N ATOM 784 CA LEU A 50 -1.066 5.710 7.631 1.00 0.51 C ATOM 785 C LEU A 50 -2.129 6.354 6.745 1.00 0.44 C ATOM 786 O LEU A 50 -3.284 6.485 7.144 1.00 0.43 O ATOM 787 CB LEU A 50 -0.136 6.771 8.225 1.00 0.62 C ATOM 788 CG LEU A 50 0.094 6.659 9.725 1.00 1.02 C ATOM 789 CD1 LEU A 50 -1.175 7.023 10.452 1.00 2.08 C ATOM 790 CD2 LEU A 50 0.540 5.252 10.102 1.00 0.75 C ATOM 0 H LEU A 50 0.653 5.058 6.637 1.00 0.44 H new ATOM 0 HA LEU A 50 -1.582 5.197 8.443 1.00 0.51 H new ATOM 0 HB2 LEU A 50 0.828 6.711 7.720 1.00 0.62 H new ATOM 0 HB3 LEU A 50 -0.549 7.756 8.009 1.00 0.62 H new ATOM 0 HG LEU A 50 0.887 7.348 10.015 1.00 1.02 H new ATOM 0 HD11 LEU A 50 -1.014 6.944 11.527 1.00 2.08 H new ATOM 0 HD12 LEU A 50 -1.457 8.046 10.202 1.00 2.08 H new ATOM 0 HD13 LEU A 50 -1.973 6.343 10.154 1.00 2.08 H new ATOM 0 HD21 LEU A 50 0.698 5.197 11.179 1.00 0.75 H new ATOM 0 HD22 LEU A 50 -0.229 4.536 9.811 1.00 0.75 H new ATOM 0 HD23 LEU A 50 1.470 5.015 9.586 1.00 0.75 H new ATOM 802 N THR A 51 -1.737 6.740 5.539 1.00 0.41 N ATOM 803 CA THR A 51 -2.651 7.357 4.591 1.00 0.40 C ATOM 804 C THR A 51 -3.716 6.370 4.141 1.00 0.35 C ATOM 805 O THR A 51 -4.898 6.697 4.087 1.00 0.34 O ATOM 806 CB THR A 51 -1.898 7.896 3.359 1.00 0.43 C ATOM 807 OG1 THR A 51 -0.986 6.908 2.862 1.00 0.48 O ATOM 808 CG2 THR A 51 -1.131 9.155 3.708 1.00 0.54 C ATOM 0 H THR A 51 -0.783 6.635 5.193 1.00 0.41 H new ATOM 0 HA THR A 51 -3.131 8.191 5.102 1.00 0.40 H new ATOM 0 HB THR A 51 -2.634 8.130 2.590 1.00 0.43 H new ATOM 0 HG1 THR A 51 -0.515 7.262 2.079 1.00 0.48 H new ATOM 0 HG21 THR A 51 -0.607 9.519 2.824 1.00 0.54 H new ATOM 0 HG22 THR A 51 -1.825 9.919 4.058 1.00 0.54 H new ATOM 0 HG23 THR A 51 -0.408 8.935 4.493 1.00 0.54 H new ATOM 816 N VAL A 52 -3.290 5.157 3.821 1.00 0.34 N ATOM 817 CA VAL A 52 -4.213 4.124 3.385 1.00 0.31 C ATOM 818 C VAL A 52 -5.042 3.631 4.559 1.00 0.27 C ATOM 819 O VAL A 52 -6.242 3.388 4.429 1.00 0.28 O ATOM 820 CB VAL A 52 -3.471 2.950 2.707 1.00 0.34 C ATOM 821 CG1 VAL A 52 -4.441 1.887 2.233 1.00 0.33 C ATOM 822 CG2 VAL A 52 -2.636 3.450 1.539 1.00 0.43 C ATOM 0 H VAL A 52 -2.313 4.866 3.855 1.00 0.34 H new ATOM 0 HA VAL A 52 -4.881 4.561 2.642 1.00 0.31 H new ATOM 0 HB VAL A 52 -2.811 2.503 3.450 1.00 0.34 H new ATOM 0 HG11 VAL A 52 -3.888 1.075 1.761 1.00 0.33 H new ATOM 0 HG12 VAL A 52 -5.000 1.499 3.084 1.00 0.33 H new ATOM 0 HG13 VAL A 52 -5.134 2.322 1.512 1.00 0.33 H new ATOM 0 HG21 VAL A 52 -2.121 2.610 1.074 1.00 0.43 H new ATOM 0 HG22 VAL A 52 -3.285 3.928 0.806 1.00 0.43 H new ATOM 0 HG23 VAL A 52 -1.902 4.171 1.899 1.00 0.43 H new ATOM 832 N GLY A 53 -4.388 3.487 5.702 1.00 0.27 N ATOM 833 CA GLY A 53 -5.096 3.161 6.920 1.00 0.30 C ATOM 834 C GLY A 53 -6.214 4.149 7.193 1.00 0.27 C ATOM 835 O GLY A 53 -7.339 3.756 7.498 1.00 0.27 O ATOM 0 H GLY A 53 -3.379 3.590 5.807 1.00 0.27 H new ATOM 0 HA2 GLY A 53 -5.508 2.155 6.845 1.00 0.30 H new ATOM 0 HA3 GLY A 53 -4.399 3.158 7.758 1.00 0.30 H new ATOM 839 N ARG A 54 -5.913 5.436 7.045 1.00 0.27 N ATOM 840 CA ARG A 54 -6.918 6.476 7.222 1.00 0.27 C ATOM 841 C ARG A 54 -7.855 6.598 6.040 1.00 0.24 C ATOM 842 O ARG A 54 -8.906 7.224 6.148 1.00 0.25 O ATOM 843 CB ARG A 54 -6.282 7.820 7.520 1.00 0.38 C ATOM 844 CG ARG A 54 -5.892 7.971 8.973 1.00 0.89 C ATOM 845 CD ARG A 54 -4.680 8.875 9.120 1.00 1.02 C ATOM 846 NE ARG A 54 -4.206 8.957 10.499 1.00 1.79 N ATOM 847 CZ ARG A 54 -3.447 9.949 10.965 1.00 2.26 C ATOM 848 NH1 ARG A 54 -3.159 10.995 10.196 1.00 2.18 N ATOM 849 NH2 ARG A 54 -2.997 9.906 12.211 1.00 3.18 N ATOM 0 H ARG A 54 -4.984 5.782 6.804 1.00 0.27 H new ATOM 0 HA ARG A 54 -7.514 6.168 8.081 1.00 0.27 H new ATOM 0 HB2 ARG A 54 -5.397 7.945 6.896 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -6.978 8.615 7.250 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -6.729 8.384 9.537 1.00 0.89 H new ATOM 0 HG3 ARG A 54 -5.673 6.992 9.398 1.00 0.89 H new ATOM 0 HD2 ARG A 54 -3.876 8.505 8.484 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -4.932 9.875 8.766 1.00 1.02 H new ATOM 0 HE ARG A 54 -4.471 8.212 11.143 1.00 1.79 H new ATOM 0 HH11 ARG A 54 -3.519 11.042 9.243 1.00 2.18 H new ATOM 0 HH12 ARG A 54 -2.578 11.750 10.559 1.00 2.18 H new ATOM 0 HH21 ARG A 54 -3.232 9.115 12.811 1.00 3.18 H new ATOM 0 HH22 ARG A 54 -2.416 10.664 12.570 1.00 3.18 H new ATOM 863 N MET A 55 -7.478 6.041 4.907 1.00 0.23 N ATOM 864 CA MET A 55 -8.389 6.000 3.786 1.00 0.24 C ATOM 865 C MET A 55 -9.542 5.095 4.160 1.00 0.21 C ATOM 866 O MET A 55 -10.708 5.408 3.928 1.00 0.23 O ATOM 867 CB MET A 55 -7.703 5.501 2.515 1.00 0.28 C ATOM 868 CG MET A 55 -8.193 6.221 1.276 1.00 0.34 C ATOM 869 SD MET A 55 -9.956 6.015 0.988 1.00 0.68 S ATOM 870 CE MET A 55 -10.339 7.546 0.146 1.00 0.41 C ATOM 0 H MET A 55 -6.565 5.618 4.741 1.00 0.23 H new ATOM 0 HA MET A 55 -8.745 7.007 3.571 1.00 0.24 H new ATOM 0 HB2 MET A 55 -6.626 5.637 2.609 1.00 0.28 H new ATOM 0 HB3 MET A 55 -7.881 4.431 2.405 1.00 0.28 H new ATOM 0 HG2 MET A 55 -7.968 7.284 1.368 1.00 0.34 H new ATOM 0 HG3 MET A 55 -7.644 5.853 0.409 1.00 0.34 H new ATOM 0 HE1 MET A 55 -11.407 7.586 -0.069 1.00 0.41 H new ATOM 0 HE2 MET A 55 -10.065 8.389 0.781 1.00 0.41 H new ATOM 0 HE3 MET A 55 -9.779 7.598 -0.788 1.00 0.41 H new ATOM 880 N VAL A 56 -9.198 3.993 4.807 1.00 0.20 N ATOM 881 CA VAL A 56 -10.191 3.093 5.347 1.00 0.22 C ATOM 882 C VAL A 56 -10.985 3.801 6.442 1.00 0.21 C ATOM 883 O VAL A 56 -12.199 3.636 6.549 1.00 0.25 O ATOM 884 CB VAL A 56 -9.548 1.810 5.915 1.00 0.25 C ATOM 885 CG1 VAL A 56 -10.605 0.869 6.476 1.00 0.29 C ATOM 886 CG2 VAL A 56 -8.722 1.112 4.845 1.00 0.26 C ATOM 0 H VAL A 56 -8.233 3.704 4.969 1.00 0.20 H new ATOM 0 HA VAL A 56 -10.857 2.802 4.535 1.00 0.22 H new ATOM 0 HB VAL A 56 -8.887 2.096 6.733 1.00 0.25 H new ATOM 0 HG11 VAL A 56 -10.123 -0.026 6.869 1.00 0.29 H new ATOM 0 HG12 VAL A 56 -11.150 1.369 7.277 1.00 0.29 H new ATOM 0 HG13 VAL A 56 -11.300 0.589 5.684 1.00 0.29 H new ATOM 0 HG21 VAL A 56 -8.275 0.209 5.261 1.00 0.26 H new ATOM 0 HG22 VAL A 56 -9.364 0.845 4.006 1.00 0.26 H new ATOM 0 HG23 VAL A 56 -7.934 1.781 4.500 1.00 0.26 H new ATOM 896 N THR A 57 -10.292 4.621 7.232 1.00 0.19 N ATOM 897 CA THR A 57 -10.937 5.406 8.276 1.00 0.22 C ATOM 898 C THR A 57 -11.963 6.359 7.666 1.00 0.21 C ATOM 899 O THR A 57 -13.045 6.551 8.217 1.00 0.25 O ATOM 900 CB THR A 57 -9.905 6.219 9.082 1.00 0.25 C ATOM 901 OG1 THR A 57 -8.858 5.355 9.543 1.00 0.29 O ATOM 902 CG2 THR A 57 -10.560 6.910 10.271 1.00 0.33 C ATOM 0 H THR A 57 -9.283 4.757 7.166 1.00 0.19 H new ATOM 0 HA THR A 57 -11.437 4.710 8.950 1.00 0.22 H new ATOM 0 HB THR A 57 -9.488 6.984 8.427 1.00 0.25 H new ATOM 0 HG1 THR A 57 -8.204 5.877 10.053 1.00 0.29 H new ATOM 0 HG21 THR A 57 -9.809 7.476 10.822 1.00 0.33 H new ATOM 0 HG22 THR A 57 -11.337 7.587 9.916 1.00 0.33 H new ATOM 0 HG23 THR A 57 -11.004 6.162 10.928 1.00 0.33 H new ATOM 910 N SER A 58 -11.618 6.927 6.514 1.00 0.24 N ATOM 911 CA SER A 58 -12.510 7.827 5.793 1.00 0.28 C ATOM 912 C SER A 58 -13.810 7.116 5.398 1.00 0.26 C ATOM 913 O SER A 58 -14.897 7.676 5.528 1.00 0.32 O ATOM 914 CB SER A 58 -11.803 8.375 4.546 1.00 0.34 C ATOM 915 OG SER A 58 -12.527 9.452 3.972 1.00 1.20 O ATOM 0 H SER A 58 -10.718 6.777 6.057 1.00 0.24 H new ATOM 0 HA SER A 58 -12.767 8.656 6.452 1.00 0.28 H new ATOM 0 HB2 SER A 58 -10.800 8.709 4.812 1.00 0.34 H new ATOM 0 HB3 SER A 58 -11.689 7.578 3.811 1.00 0.34 H new ATOM 0 HG SER A 58 -12.051 9.781 3.181 1.00 1.20 H new ATOM 921 N LEU A 59 -13.700 5.889 4.902 1.00 0.23 N ATOM 922 CA LEU A 59 -14.880 5.102 4.545 1.00 0.23 C ATOM 923 C LEU A 59 -15.634 4.617 5.789 1.00 0.23 C ATOM 924 O LEU A 59 -16.858 4.492 5.779 1.00 0.30 O ATOM 925 CB LEU A 59 -14.499 3.903 3.658 1.00 0.29 C ATOM 926 CG LEU A 59 -14.299 4.202 2.160 1.00 0.34 C ATOM 927 CD1 LEU A 59 -15.536 4.855 1.574 1.00 1.39 C ATOM 928 CD2 LEU A 59 -13.080 5.078 1.930 1.00 1.45 C ATOM 0 H LEU A 59 -12.811 5.417 4.737 1.00 0.23 H new ATOM 0 HA LEU A 59 -15.543 5.758 3.981 1.00 0.23 H new ATOM 0 HB2 LEU A 59 -13.578 3.468 4.047 1.00 0.29 H new ATOM 0 HB3 LEU A 59 -15.276 3.144 3.755 1.00 0.29 H new ATOM 0 HG LEU A 59 -14.132 3.252 1.652 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -15.374 5.058 0.515 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -16.389 4.187 1.689 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -15.735 5.791 2.096 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -12.966 5.271 0.863 1.00 1.45 H new ATOM 0 HD22 LEU A 59 -13.206 6.023 2.458 1.00 1.45 H new ATOM 0 HD23 LEU A 59 -12.191 4.570 2.303 1.00 1.45 H new ATOM 940 N LEU A 60 -14.897 4.368 6.865 1.00 0.20 N ATOM 941 CA LEU A 60 -15.454 3.725 8.058 1.00 0.23 C ATOM 942 C LEU A 60 -16.207 4.698 8.969 1.00 0.28 C ATOM 943 O LEU A 60 -16.814 4.282 9.957 1.00 0.33 O ATOM 944 CB LEU A 60 -14.332 3.046 8.848 1.00 0.24 C ATOM 945 CG LEU A 60 -14.524 1.548 9.108 1.00 0.58 C ATOM 946 CD1 LEU A 60 -15.718 1.296 10.014 1.00 1.43 C ATOM 947 CD2 LEU A 60 -14.698 0.806 7.795 1.00 0.59 C ATOM 0 H LEU A 60 -13.907 4.601 6.940 1.00 0.20 H new ATOM 0 HA LEU A 60 -16.179 2.989 7.711 1.00 0.23 H new ATOM 0 HB2 LEU A 60 -13.395 3.187 8.309 1.00 0.24 H new ATOM 0 HB3 LEU A 60 -14.228 3.553 9.807 1.00 0.24 H new ATOM 0 HG LEU A 60 -13.632 1.176 9.613 1.00 0.58 H new ATOM 0 HD11 LEU A 60 -15.829 0.224 10.180 1.00 1.43 H new ATOM 0 HD12 LEU A 60 -15.562 1.797 10.969 1.00 1.43 H new ATOM 0 HD13 LEU A 60 -16.621 1.685 9.543 1.00 1.43 H new ATOM 0 HD21 LEU A 60 -14.834 -0.257 7.993 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -15.573 1.192 7.272 1.00 0.59 H new ATOM 0 HD23 LEU A 60 -13.813 0.950 7.176 1.00 0.59 H new ATOM 959 N GLU A 61 -16.168 5.981 8.654 1.00 0.32 N ATOM 960 CA GLU A 61 -16.826 6.981 9.493 1.00 0.42 C ATOM 961 C GLU A 61 -18.204 7.370 8.956 1.00 0.45 C ATOM 962 O GLU A 61 -18.608 8.530 9.056 1.00 0.59 O ATOM 963 CB GLU A 61 -15.946 8.227 9.637 1.00 0.56 C ATOM 964 CG GLU A 61 -15.259 8.639 8.348 1.00 0.77 C ATOM 965 CD GLU A 61 -14.723 10.053 8.385 1.00 1.74 C ATOM 966 OE1 GLU A 61 -13.767 10.318 9.142 1.00 2.36 O ATOM 967 OE2 GLU A 61 -15.243 10.910 7.640 1.00 2.46 O ATOM 0 H GLU A 61 -15.694 6.357 7.833 1.00 0.32 H new ATOM 0 HA GLU A 61 -16.972 6.528 10.474 1.00 0.42 H new ATOM 0 HB2 GLU A 61 -16.559 9.055 9.993 1.00 0.56 H new ATOM 0 HB3 GLU A 61 -15.189 8.041 10.399 1.00 0.56 H new ATOM 0 HG2 GLU A 61 -14.438 7.951 8.145 1.00 0.77 H new ATOM 0 HG3 GLU A 61 -15.964 8.546 7.522 1.00 0.77 H new ATOM 974 N LYS A 62 -18.932 6.403 8.399 1.00 0.46 N ATOM 975 CA LYS A 62 -20.289 6.653 7.916 1.00 0.53 C ATOM 976 C LYS A 62 -21.058 5.353 7.688 1.00 0.43 C ATOM 977 O LYS A 62 -20.649 4.495 6.905 1.00 0.41 O ATOM 978 CB LYS A 62 -20.269 7.508 6.653 1.00 0.70 C ATOM 979 CG LYS A 62 -19.224 7.087 5.646 1.00 0.62 C ATOM 980 CD LYS A 62 -18.775 8.276 4.829 1.00 0.76 C ATOM 981 CE LYS A 62 -17.568 7.946 3.978 1.00 0.72 C ATOM 982 NZ LYS A 62 -17.002 9.160 3.344 1.00 0.97 N ATOM 0 H LYS A 62 -18.607 5.445 8.272 1.00 0.46 H new ATOM 0 HA LYS A 62 -20.815 7.207 8.693 1.00 0.53 H new ATOM 0 HB2 LYS A 62 -21.251 7.466 6.182 1.00 0.70 H new ATOM 0 HB3 LYS A 62 -20.093 8.547 6.932 1.00 0.70 H new ATOM 0 HG2 LYS A 62 -18.370 6.647 6.160 1.00 0.62 H new ATOM 0 HG3 LYS A 62 -19.631 6.318 4.989 1.00 0.62 H new ATOM 0 HD2 LYS A 62 -19.592 8.607 4.188 1.00 0.76 H new ATOM 0 HD3 LYS A 62 -18.535 9.105 5.494 1.00 0.76 H new ATOM 0 HE2 LYS A 62 -16.807 7.468 4.594 1.00 0.72 H new ATOM 0 HE3 LYS A 62 -17.850 7.229 3.207 1.00 0.72 H new ATOM 0 HZ1 LYS A 62 -16.351 8.882 2.582 1.00 0.97 H new ATOM 0 HZ2 LYS A 62 -17.772 9.736 2.949 1.00 0.97 H new ATOM 0 HZ3 LYS A 62 -16.485 9.714 4.056 1.00 0.97 H new ATOM 996 N PRO A 63 -22.210 5.226 8.375 1.00 0.46 N ATOM 997 CA PRO A 63 -23.003 3.988 8.430 1.00 0.48 C ATOM 998 C PRO A 63 -23.438 3.461 7.065 1.00 0.42 C ATOM 999 O PRO A 63 -23.446 2.252 6.848 1.00 0.42 O ATOM 1000 CB PRO A 63 -24.237 4.379 9.248 1.00 0.65 C ATOM 1001 CG PRO A 63 -23.822 5.575 10.028 1.00 0.69 C ATOM 1002 CD PRO A 63 -22.829 6.302 9.171 1.00 0.59 C ATOM 0 HA PRO A 63 -22.410 3.180 8.857 1.00 0.48 H new ATOM 0 HB2 PRO A 63 -25.084 4.605 8.600 1.00 0.65 H new ATOM 0 HB3 PRO A 63 -24.547 3.567 9.906 1.00 0.65 H new ATOM 0 HG2 PRO A 63 -24.679 6.209 10.256 1.00 0.69 H new ATOM 0 HG3 PRO A 63 -23.378 5.285 10.980 1.00 0.69 H new ATOM 0 HD2 PRO A 63 -23.314 7.043 8.536 1.00 0.59 H new ATOM 0 HD3 PRO A 63 -22.091 6.832 9.773 1.00 0.59 H new ATOM 1010 N SER A 64 -23.811 4.357 6.157 1.00 0.43 N ATOM 1011 CA SER A 64 -24.271 3.946 4.833 1.00 0.46 C ATOM 1012 C SER A 64 -23.161 3.214 4.085 1.00 0.42 C ATOM 1013 O SER A 64 -23.354 2.105 3.585 1.00 0.43 O ATOM 1014 CB SER A 64 -24.737 5.167 4.039 1.00 0.57 C ATOM 1015 OG SER A 64 -23.803 6.231 4.151 1.00 1.46 O ATOM 0 H SER A 64 -23.805 5.365 6.311 1.00 0.43 H new ATOM 0 HA SER A 64 -25.112 3.262 4.950 1.00 0.46 H new ATOM 0 HB2 SER A 64 -24.863 4.897 2.990 1.00 0.57 H new ATOM 0 HB3 SER A 64 -25.711 5.493 4.404 1.00 0.57 H new ATOM 0 HG SER A 64 -24.120 7.001 3.634 1.00 1.46 H new ATOM 1021 N VAL A 65 -21.996 3.841 4.042 1.00 0.40 N ATOM 1022 CA VAL A 65 -20.819 3.246 3.432 1.00 0.39 C ATOM 1023 C VAL A 65 -20.444 1.934 4.118 1.00 0.34 C ATOM 1024 O VAL A 65 -20.213 0.923 3.449 1.00 0.33 O ATOM 1025 CB VAL A 65 -19.631 4.223 3.483 1.00 0.43 C ATOM 1026 CG1 VAL A 65 -18.343 3.539 3.073 1.00 0.53 C ATOM 1027 CG2 VAL A 65 -19.898 5.434 2.600 1.00 0.47 C ATOM 0 H VAL A 65 -21.841 4.773 4.427 1.00 0.40 H new ATOM 0 HA VAL A 65 -21.059 3.032 2.390 1.00 0.39 H new ATOM 0 HB VAL A 65 -19.518 4.562 4.513 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -17.521 4.254 3.119 1.00 0.53 H new ATOM 0 HG12 VAL A 65 -18.140 2.709 3.750 1.00 0.53 H new ATOM 0 HG13 VAL A 65 -18.440 3.162 2.055 1.00 0.53 H new ATOM 0 HG21 VAL A 65 -19.048 6.114 2.648 1.00 0.47 H new ATOM 0 HG22 VAL A 65 -20.044 5.108 1.570 1.00 0.47 H new ATOM 0 HG23 VAL A 65 -20.794 5.948 2.948 1.00 0.47 H new ATOM 1037 N VAL A 66 -20.408 1.951 5.447 1.00 0.34 N ATOM 1038 CA VAL A 66 -20.059 0.765 6.218 1.00 0.31 C ATOM 1039 C VAL A 66 -21.008 -0.387 5.896 1.00 0.32 C ATOM 1040 O VAL A 66 -20.564 -1.490 5.576 1.00 0.33 O ATOM 1041 CB VAL A 66 -20.082 1.048 7.739 1.00 0.33 C ATOM 1042 CG1 VAL A 66 -19.844 -0.225 8.536 1.00 0.35 C ATOM 1043 CG2 VAL A 66 -19.040 2.095 8.099 1.00 0.34 C ATOM 0 H VAL A 66 -20.617 2.774 6.012 1.00 0.34 H new ATOM 0 HA VAL A 66 -19.044 0.484 5.936 1.00 0.31 H new ATOM 0 HB VAL A 66 -21.070 1.430 7.995 1.00 0.33 H new ATOM 0 HG11 VAL A 66 -19.865 0.004 9.602 1.00 0.35 H new ATOM 0 HG12 VAL A 66 -20.624 -0.950 8.305 1.00 0.35 H new ATOM 0 HG13 VAL A 66 -18.872 -0.642 8.274 1.00 0.35 H new ATOM 0 HG21 VAL A 66 -19.069 2.283 9.172 1.00 0.34 H new ATOM 0 HG22 VAL A 66 -18.050 1.734 7.820 1.00 0.34 H new ATOM 0 HG23 VAL A 66 -19.253 3.020 7.563 1.00 0.34 H new ATOM 1053 N ALA A 67 -22.306 -0.107 5.947 1.00 0.34 N ATOM 1054 CA ALA A 67 -23.327 -1.111 5.664 1.00 0.36 C ATOM 1055 C ALA A 67 -23.148 -1.708 4.276 1.00 0.32 C ATOM 1056 O ALA A 67 -23.256 -2.912 4.098 1.00 0.35 O ATOM 1057 CB ALA A 67 -24.720 -0.525 5.799 1.00 0.41 C ATOM 0 H ALA A 67 -22.678 0.813 6.183 1.00 0.34 H new ATOM 0 HA ALA A 67 -23.209 -1.907 6.399 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -25.461 -1.295 5.583 1.00 0.41 H new ATOM 0 HB2 ALA A 67 -24.864 -0.158 6.815 1.00 0.41 H new ATOM 0 HB3 ALA A 67 -24.838 0.300 5.096 1.00 0.41 H new ATOM 1063 N TYR A 68 -22.863 -0.866 3.298 1.00 0.28 N ATOM 1064 CA TYR A 68 -22.646 -1.327 1.935 1.00 0.27 C ATOM 1065 C TYR A 68 -21.410 -2.206 1.825 1.00 0.23 C ATOM 1066 O TYR A 68 -21.361 -3.126 1.009 1.00 0.27 O ATOM 1067 CB TYR A 68 -22.661 -0.169 0.946 1.00 0.29 C ATOM 1068 CG TYR A 68 -24.086 0.142 0.565 1.00 0.75 C ATOM 1069 CD1 TYR A 68 -24.781 -0.719 -0.272 1.00 1.46 C ATOM 1070 CD2 TYR A 68 -24.760 1.234 1.090 1.00 1.45 C ATOM 1071 CE1 TYR A 68 -26.102 -0.494 -0.587 1.00 1.88 C ATOM 1072 CE2 TYR A 68 -26.088 1.461 0.790 1.00 1.86 C ATOM 1073 CZ TYR A 68 -26.754 0.594 -0.051 1.00 1.81 C ATOM 1074 OH TYR A 68 -28.083 0.803 -0.340 1.00 2.35 O ATOM 0 H TYR A 68 -22.776 0.143 3.421 1.00 0.28 H new ATOM 0 HA TYR A 68 -23.484 -1.967 1.659 1.00 0.27 H new ATOM 0 HB2 TYR A 68 -22.191 0.709 1.389 1.00 0.29 H new ATOM 0 HB3 TYR A 68 -22.083 -0.426 0.058 1.00 0.29 H new ATOM 0 HD1 TYR A 68 -24.277 -1.581 -0.684 1.00 1.46 H new ATOM 0 HD2 TYR A 68 -24.238 1.917 1.744 1.00 1.45 H new ATOM 0 HE1 TYR A 68 -26.624 -1.167 -1.251 1.00 1.88 H new ATOM 0 HE2 TYR A 68 -26.602 2.312 1.211 1.00 1.86 H new ATOM 0 HH TYR A 68 -28.394 1.612 0.117 1.00 2.35 H new ATOM 1084 N LEU A 69 -20.392 -1.895 2.602 1.00 0.20 N ATOM 1085 CA LEU A 69 -19.216 -2.744 2.680 1.00 0.19 C ATOM 1086 C LEU A 69 -19.573 -4.144 3.192 1.00 0.24 C ATOM 1087 O LEU A 69 -19.169 -5.141 2.606 1.00 0.27 O ATOM 1088 CB LEU A 69 -18.167 -2.085 3.568 1.00 0.22 C ATOM 1089 CG LEU A 69 -17.670 -0.746 3.049 1.00 0.25 C ATOM 1090 CD1 LEU A 69 -16.925 0.019 4.133 1.00 0.33 C ATOM 1091 CD2 LEU A 69 -16.786 -0.942 1.828 1.00 0.29 C ATOM 0 H LEU A 69 -20.353 -1.062 3.189 1.00 0.20 H new ATOM 0 HA LEU A 69 -18.805 -2.864 1.678 1.00 0.19 H new ATOM 0 HB2 LEU A 69 -18.586 -1.944 4.564 1.00 0.22 H new ATOM 0 HB3 LEU A 69 -17.318 -2.760 3.672 1.00 0.22 H new ATOM 0 HG LEU A 69 -18.538 -0.154 2.757 1.00 0.25 H new ATOM 0 HD11 LEU A 69 -16.581 0.973 3.734 1.00 0.33 H new ATOM 0 HD12 LEU A 69 -17.592 0.198 4.976 1.00 0.33 H new ATOM 0 HD13 LEU A 69 -16.068 -0.565 4.467 1.00 0.33 H new ATOM 0 HD21 LEU A 69 -16.439 0.028 1.470 1.00 0.29 H new ATOM 0 HD22 LEU A 69 -15.928 -1.558 2.095 1.00 0.29 H new ATOM 0 HD23 LEU A 69 -17.356 -1.436 1.041 1.00 0.29 H new ATOM 1103 N GLU A 70 -20.344 -4.229 4.264 1.00 0.31 N ATOM 1104 CA GLU A 70 -20.722 -5.535 4.809 1.00 0.43 C ATOM 1105 C GLU A 70 -21.807 -6.187 3.979 1.00 0.49 C ATOM 1106 O GLU A 70 -21.842 -7.408 3.814 1.00 0.60 O ATOM 1107 CB GLU A 70 -21.185 -5.419 6.256 1.00 0.55 C ATOM 1108 CG GLU A 70 -21.603 -4.019 6.659 1.00 0.49 C ATOM 1109 CD GLU A 70 -22.081 -3.935 8.096 1.00 0.62 C ATOM 1110 OE1 GLU A 70 -21.605 -4.729 8.933 1.00 1.25 O ATOM 1111 OE2 GLU A 70 -22.942 -3.081 8.399 1.00 1.26 O ATOM 0 H GLU A 70 -20.718 -3.427 4.771 1.00 0.31 H new ATOM 0 HA GLU A 70 -19.831 -6.162 4.775 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -22.024 -6.097 6.414 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -20.380 -5.750 6.912 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -20.761 -3.340 6.521 1.00 0.49 H new ATOM 0 HG3 GLU A 70 -22.399 -3.678 5.996 1.00 0.49 H new ATOM 1118 N GLY A 71 -22.682 -5.364 3.454 1.00 0.46 N ATOM 1119 CA GLY A 71 -23.773 -5.854 2.661 1.00 0.57 C ATOM 1120 C GLY A 71 -25.089 -5.783 3.401 1.00 0.69 C ATOM 1121 O GLY A 71 -25.934 -6.669 3.277 1.00 0.92 O ATOM 0 H GLY A 71 -22.656 -4.350 3.564 1.00 0.46 H new ATOM 0 HA2 GLY A 71 -23.842 -5.273 1.742 1.00 0.57 H new ATOM 0 HA3 GLY A 71 -23.575 -6.886 2.371 1.00 0.57 H new ATOM 1185 N PRO B 2 15.774 -13.883 -2.954 1.00 0.76 N ATOM 1186 CA PRO B 2 15.485 -12.544 -3.474 1.00 0.64 C ATOM 1187 C PRO B 2 16.204 -11.466 -2.671 1.00 0.58 C ATOM 1188 O PRO B 2 16.115 -11.430 -1.441 1.00 0.64 O ATOM 1189 CB PRO B 2 13.964 -12.409 -3.314 1.00 0.69 C ATOM 1190 CG PRO B 2 13.590 -13.440 -2.308 1.00 0.80 C ATOM 1191 CD PRO B 2 14.549 -14.572 -2.520 1.00 0.84 C ATOM 0 HA PRO B 2 15.821 -12.420 -4.503 1.00 0.64 H new ATOM 0 HB2 PRO B 2 13.690 -11.410 -2.976 1.00 0.69 H new ATOM 0 HB3 PRO B 2 13.451 -12.577 -4.261 1.00 0.69 H new ATOM 0 HG2 PRO B 2 13.666 -13.046 -1.295 1.00 0.80 H new ATOM 0 HG3 PRO B 2 12.560 -13.767 -2.446 1.00 0.80 H new ATOM 0 HD2 PRO B 2 14.709 -15.144 -1.606 1.00 0.84 H new ATOM 0 HD3 PRO B 2 14.189 -15.271 -3.275 1.00 0.84 H new ATOM 1199 N SER B 3 16.923 -10.601 -3.366 1.00 0.51 N ATOM 1200 CA SER B 3 17.699 -9.568 -2.712 1.00 0.47 C ATOM 1201 C SER B 3 16.804 -8.433 -2.220 1.00 0.40 C ATOM 1202 O SER B 3 15.618 -8.386 -2.549 1.00 0.37 O ATOM 1203 CB SER B 3 18.753 -9.032 -3.674 1.00 0.46 C ATOM 1204 OG SER B 3 19.450 -10.098 -4.302 1.00 0.59 O ATOM 0 H SER B 3 16.984 -10.596 -4.384 1.00 0.51 H new ATOM 0 HA SER B 3 18.191 -10.004 -1.843 1.00 0.47 H new ATOM 0 HB2 SER B 3 18.278 -8.407 -4.430 1.00 0.46 H new ATOM 0 HB3 SER B 3 19.457 -8.399 -3.134 1.00 0.46 H new ATOM 0 HG SER B 3 20.121 -9.733 -4.917 1.00 0.59 H new ATOM 1210 N LYS B 4 17.368 -7.523 -1.440 1.00 0.41 N ATOM 1211 CA LYS B 4 16.623 -6.376 -0.924 1.00 0.41 C ATOM 1212 C LYS B 4 15.925 -5.602 -2.048 1.00 0.29 C ATOM 1213 O LYS B 4 14.840 -5.052 -1.852 1.00 0.27 O ATOM 1214 CB LYS B 4 17.572 -5.450 -0.160 1.00 0.54 C ATOM 1215 CG LYS B 4 18.254 -6.124 1.020 1.00 0.84 C ATOM 1216 CD LYS B 4 19.444 -5.324 1.551 1.00 0.95 C ATOM 1217 CE LYS B 4 19.063 -3.905 1.947 1.00 0.62 C ATOM 1218 NZ LYS B 4 19.109 -2.968 0.794 1.00 1.79 N ATOM 0 H LYS B 4 18.345 -7.554 -1.147 1.00 0.41 H new ATOM 0 HA LYS B 4 15.850 -6.749 -0.252 1.00 0.41 H new ATOM 0 HB2 LYS B 4 18.333 -5.077 -0.845 1.00 0.54 H new ATOM 0 HB3 LYS B 4 17.014 -4.585 0.198 1.00 0.54 H new ATOM 0 HG2 LYS B 4 17.529 -6.264 1.822 1.00 0.84 H new ATOM 0 HG3 LYS B 4 18.593 -7.116 0.720 1.00 0.84 H new ATOM 0 HD2 LYS B 4 19.866 -5.838 2.415 1.00 0.95 H new ATOM 0 HD3 LYS B 4 20.223 -5.288 0.789 1.00 0.95 H new ATOM 0 HE2 LYS B 4 18.059 -3.906 2.373 1.00 0.62 H new ATOM 0 HE3 LYS B 4 19.739 -3.553 2.726 1.00 0.62 H new ATOM 0 HZ1 LYS B 4 19.163 -1.990 1.143 1.00 1.79 H new ATOM 0 HZ2 LYS B 4 19.946 -3.175 0.212 1.00 1.79 H new ATOM 0 HZ3 LYS B 4 18.250 -3.083 0.219 1.00 1.79 H new ATOM 1232 N LEU B 5 16.545 -5.571 -3.225 1.00 0.26 N ATOM 1233 CA LEU B 5 15.972 -4.876 -4.370 1.00 0.21 C ATOM 1234 C LEU B 5 14.801 -5.651 -4.954 1.00 0.18 C ATOM 1235 O LEU B 5 13.837 -5.053 -5.425 1.00 0.17 O ATOM 1236 CB LEU B 5 17.044 -4.581 -5.425 1.00 0.22 C ATOM 1237 CG LEU B 5 16.548 -3.992 -6.747 1.00 0.25 C ATOM 1238 CD1 LEU B 5 17.568 -3.015 -7.307 1.00 0.27 C ATOM 1239 CD2 LEU B 5 16.283 -5.091 -7.763 1.00 0.32 C ATOM 0 H LEU B 5 17.443 -6.019 -3.409 1.00 0.26 H new ATOM 0 HA LEU B 5 15.583 -3.918 -4.025 1.00 0.21 H new ATOM 0 HB2 LEU B 5 17.769 -3.891 -4.993 1.00 0.22 H new ATOM 0 HB3 LEU B 5 17.576 -5.508 -5.641 1.00 0.22 H new ATOM 0 HG LEU B 5 15.615 -3.464 -6.551 1.00 0.25 H new ATOM 0 HD11 LEU B 5 17.201 -2.605 -8.248 1.00 0.27 H new ATOM 0 HD12 LEU B 5 17.725 -2.205 -6.595 1.00 0.27 H new ATOM 0 HD13 LEU B 5 18.511 -3.533 -7.481 1.00 0.27 H new ATOM 0 HD21 LEU B 5 15.931 -4.648 -8.695 1.00 0.32 H new ATOM 0 HD22 LEU B 5 17.204 -5.644 -7.949 1.00 0.32 H new ATOM 0 HD23 LEU B 5 15.524 -5.770 -7.375 1.00 0.32 H new ATOM 1251 N ALA B 6 14.878 -6.974 -4.928 1.00 0.22 N ATOM 1252 CA ALA B 6 13.741 -7.796 -5.317 1.00 0.26 C ATOM 1253 C ALA B 6 12.517 -7.391 -4.508 1.00 0.24 C ATOM 1254 O ALA B 6 11.407 -7.333 -5.034 1.00 0.27 O ATOM 1255 CB ALA B 6 14.043 -9.279 -5.124 1.00 0.35 C ATOM 0 H ALA B 6 15.707 -7.497 -4.645 1.00 0.22 H new ATOM 0 HA ALA B 6 13.541 -7.634 -6.376 1.00 0.26 H new ATOM 0 HB1 ALA B 6 13.176 -9.869 -5.422 1.00 0.35 H new ATOM 0 HB2 ALA B 6 14.900 -9.558 -5.736 1.00 0.35 H new ATOM 0 HB3 ALA B 6 14.269 -9.471 -4.075 1.00 0.35 H new ATOM 1261 N LEU B 7 12.737 -7.083 -3.230 1.00 0.22 N ATOM 1262 CA LEU B 7 11.663 -6.641 -2.348 1.00 0.22 C ATOM 1263 C LEU B 7 11.174 -5.236 -2.706 1.00 0.18 C ATOM 1264 O LEU B 7 9.984 -5.033 -2.924 1.00 0.19 O ATOM 1265 CB LEU B 7 12.136 -6.653 -0.891 1.00 0.24 C ATOM 1266 CG LEU B 7 12.099 -8.009 -0.174 1.00 0.29 C ATOM 1267 CD1 LEU B 7 12.961 -9.043 -0.885 1.00 0.31 C ATOM 1268 CD2 LEU B 7 12.561 -7.840 1.264 1.00 0.32 C ATOM 0 H LEU B 7 13.653 -7.132 -2.784 1.00 0.22 H new ATOM 0 HA LEU B 7 10.833 -7.336 -2.477 1.00 0.22 H new ATOM 0 HB2 LEU B 7 13.159 -6.278 -0.861 1.00 0.24 H new ATOM 0 HB3 LEU B 7 11.522 -5.951 -0.327 1.00 0.24 H new ATOM 0 HG LEU B 7 11.071 -8.372 -0.188 1.00 0.29 H new ATOM 0 HD11 LEU B 7 12.910 -9.990 -0.348 1.00 0.31 H new ATOM 0 HD12 LEU B 7 12.597 -9.182 -1.903 1.00 0.31 H new ATOM 0 HD13 LEU B 7 13.994 -8.698 -0.914 1.00 0.31 H new ATOM 0 HD21 LEU B 7 12.534 -8.805 1.771 1.00 0.32 H new ATOM 0 HD22 LEU B 7 13.580 -7.453 1.276 1.00 0.32 H new ATOM 0 HD23 LEU B 7 11.901 -7.141 1.778 1.00 0.32 H new ATOM 1280 N ILE B 8 12.095 -4.271 -2.771 1.00 0.16 N ATOM 1281 CA ILE B 8 11.722 -2.888 -3.090 1.00 0.15 C ATOM 1282 C ILE B 8 11.030 -2.786 -4.456 1.00 0.16 C ATOM 1283 O ILE B 8 10.121 -1.982 -4.631 1.00 0.18 O ATOM 1284 CB ILE B 8 12.921 -1.899 -2.993 1.00 0.16 C ATOM 1285 CG1 ILE B 8 14.125 -2.370 -3.795 1.00 0.19 C ATOM 1286 CG2 ILE B 8 13.310 -1.660 -1.540 1.00 0.16 C ATOM 1287 CD1 ILE B 8 14.167 -1.810 -5.199 1.00 0.23 C ATOM 0 H ILE B 8 13.092 -4.417 -2.610 1.00 0.16 H new ATOM 0 HA ILE B 8 11.005 -2.587 -2.326 1.00 0.15 H new ATOM 0 HB ILE B 8 12.590 -0.957 -3.429 1.00 0.16 H new ATOM 0 HG12 ILE B 8 15.036 -2.084 -3.270 1.00 0.19 H new ATOM 0 HG13 ILE B 8 14.115 -3.459 -3.846 1.00 0.19 H new ATOM 0 HG21 ILE B 8 14.150 -0.966 -1.498 1.00 0.16 H new ATOM 0 HG22 ILE B 8 12.462 -1.237 -1.001 1.00 0.16 H new ATOM 0 HG23 ILE B 8 13.597 -2.606 -1.080 1.00 0.16 H new ATOM 0 HD11 ILE B 8 15.051 -2.186 -5.715 1.00 0.23 H new ATOM 0 HD12 ILE B 8 13.272 -2.118 -5.740 1.00 0.23 H new ATOM 0 HD13 ILE B 8 14.208 -0.722 -5.156 1.00 0.23 H new ATOM 1299 N GLN B 9 11.444 -3.620 -5.407 1.00 0.16 N ATOM 1300 CA GLN B 9 10.830 -3.633 -6.735 1.00 0.20 C ATOM 1301 C GLN B 9 9.448 -4.286 -6.720 1.00 0.22 C ATOM 1302 O GLN B 9 8.553 -3.862 -7.447 1.00 0.25 O ATOM 1303 CB GLN B 9 11.725 -4.355 -7.747 1.00 0.22 C ATOM 1304 CG GLN B 9 12.913 -3.533 -8.217 1.00 0.27 C ATOM 1305 CD GLN B 9 12.494 -2.266 -8.936 1.00 0.99 C ATOM 1306 OE1 GLN B 9 12.338 -1.213 -8.324 1.00 1.94 O ATOM 1307 NE2 GLN B 9 12.309 -2.361 -10.242 1.00 1.38 N ATOM 0 H GLN B 9 12.200 -4.294 -5.285 1.00 0.16 H new ATOM 0 HA GLN B 9 10.713 -2.592 -7.036 1.00 0.20 H new ATOM 0 HB2 GLN B 9 12.090 -5.279 -7.299 1.00 0.22 H new ATOM 0 HB3 GLN B 9 11.125 -4.635 -8.613 1.00 0.22 H new ATOM 0 HG2 GLN B 9 13.532 -3.272 -7.359 1.00 0.27 H new ATOM 0 HG3 GLN B 9 13.529 -4.138 -8.883 1.00 0.27 H new ATOM 0 HE21 GLN B 9 12.449 -3.255 -10.713 1.00 1.38 H new ATOM 0 HE22 GLN B 9 12.026 -1.541 -10.778 1.00 1.38 H new ATOM 1316 N GLU B 10 9.279 -5.334 -5.920 1.00 0.23 N ATOM 1317 CA GLU B 10 8.005 -6.048 -5.867 1.00 0.27 C ATOM 1318 C GLU B 10 6.973 -5.326 -5.016 1.00 0.25 C ATOM 1319 O GLU B 10 5.791 -5.644 -5.099 1.00 0.28 O ATOM 1320 CB GLU B 10 8.164 -7.493 -5.391 1.00 0.31 C ATOM 1321 CG GLU B 10 8.519 -7.632 -3.927 1.00 0.31 C ATOM 1322 CD GLU B 10 8.308 -9.038 -3.423 1.00 0.39 C ATOM 1323 OE1 GLU B 10 7.148 -9.390 -3.136 1.00 1.23 O ATOM 1324 OE2 GLU B 10 9.292 -9.799 -3.310 1.00 1.09 O ATOM 0 H GLU B 10 10.001 -5.707 -5.303 1.00 0.23 H new ATOM 0 HA GLU B 10 7.640 -6.071 -6.894 1.00 0.27 H new ATOM 0 HB2 GLU B 10 7.234 -8.029 -5.580 1.00 0.31 H new ATOM 0 HB3 GLU B 10 8.938 -7.976 -5.988 1.00 0.31 H new ATOM 0 HG2 GLU B 10 9.560 -7.347 -3.778 1.00 0.31 H new ATOM 0 HG3 GLU B 10 7.912 -6.942 -3.340 1.00 0.31 H new ATOM 1331 N LEU B 11 7.419 -4.408 -4.159 1.00 0.22 N ATOM 1332 CA LEU B 11 6.501 -3.623 -3.322 1.00 0.21 C ATOM 1333 C LEU B 11 5.272 -3.145 -4.118 1.00 0.22 C ATOM 1334 O LEU B 11 4.148 -3.305 -3.651 1.00 0.21 O ATOM 1335 CB LEU B 11 7.214 -2.427 -2.678 1.00 0.21 C ATOM 1336 CG LEU B 11 8.344 -2.778 -1.710 1.00 0.19 C ATOM 1337 CD1 LEU B 11 8.930 -1.516 -1.102 1.00 0.21 C ATOM 1338 CD2 LEU B 11 7.850 -3.717 -0.621 1.00 0.19 C ATOM 0 H LEU B 11 8.406 -4.187 -4.023 1.00 0.22 H new ATOM 0 HA LEU B 11 6.154 -4.285 -2.528 1.00 0.21 H new ATOM 0 HB2 LEU B 11 7.620 -1.799 -3.471 1.00 0.21 H new ATOM 0 HB3 LEU B 11 6.475 -1.830 -2.145 1.00 0.21 H new ATOM 0 HG LEU B 11 9.128 -3.290 -2.269 1.00 0.19 H new ATOM 0 HD11 LEU B 11 9.733 -1.782 -0.415 1.00 0.21 H new ATOM 0 HD12 LEU B 11 9.326 -0.880 -1.894 1.00 0.21 H new ATOM 0 HD13 LEU B 11 8.152 -0.978 -0.560 1.00 0.21 H new ATOM 0 HD21 LEU B 11 8.671 -3.953 0.056 1.00 0.19 H new ATOM 0 HD22 LEU B 11 7.046 -3.236 -0.063 1.00 0.19 H new ATOM 0 HD23 LEU B 11 7.478 -4.636 -1.074 1.00 0.19 H new ATOM 1350 N PRO B 12 5.456 -2.550 -5.326 1.00 0.23 N ATOM 1351 CA PRO B 12 4.335 -2.210 -6.216 1.00 0.26 C ATOM 1352 C PRO B 12 3.369 -3.375 -6.473 1.00 0.27 C ATOM 1353 O PRO B 12 2.155 -3.177 -6.517 1.00 0.29 O ATOM 1354 CB PRO B 12 5.031 -1.807 -7.516 1.00 0.32 C ATOM 1355 CG PRO B 12 6.339 -1.258 -7.076 1.00 0.29 C ATOM 1356 CD PRO B 12 6.744 -2.081 -5.886 1.00 0.24 C ATOM 0 HA PRO B 12 3.708 -1.435 -5.776 1.00 0.26 H new ATOM 0 HB2 PRO B 12 5.161 -2.662 -8.179 1.00 0.32 H new ATOM 0 HB3 PRO B 12 4.452 -1.064 -8.064 1.00 0.32 H new ATOM 0 HG2 PRO B 12 7.081 -1.328 -7.872 1.00 0.29 H new ATOM 0 HG3 PRO B 12 6.253 -0.204 -6.812 1.00 0.29 H new ATOM 0 HD2 PRO B 12 7.382 -2.916 -6.176 1.00 0.24 H new ATOM 0 HD3 PRO B 12 7.303 -1.489 -5.162 1.00 0.24 H new ATOM 1364 N ASP B 13 3.902 -4.584 -6.642 1.00 0.27 N ATOM 1365 CA ASP B 13 3.070 -5.761 -6.911 1.00 0.29 C ATOM 1366 C ASP B 13 2.367 -6.202 -5.638 1.00 0.26 C ATOM 1367 O ASP B 13 1.167 -6.481 -5.634 1.00 0.25 O ATOM 1368 CB ASP B 13 3.919 -6.920 -7.440 1.00 0.35 C ATOM 1369 CG ASP B 13 3.081 -8.032 -8.048 1.00 1.17 C ATOM 1370 OD1 ASP B 13 2.562 -8.881 -7.291 1.00 1.70 O ATOM 1371 OD2 ASP B 13 2.946 -8.069 -9.291 1.00 2.01 O ATOM 0 H ASP B 13 4.903 -4.776 -6.598 1.00 0.27 H new ATOM 0 HA ASP B 13 2.333 -5.488 -7.666 1.00 0.29 H new ATOM 0 HB2 ASP B 13 4.614 -6.543 -8.190 1.00 0.35 H new ATOM 0 HB3 ASP B 13 4.519 -7.327 -6.626 1.00 0.35 H new ATOM 1376 N ARG B 14 3.135 -6.265 -4.561 1.00 0.27 N ATOM 1377 CA ARG B 14 2.606 -6.605 -3.249 1.00 0.27 C ATOM 1378 C ARG B 14 1.482 -5.653 -2.853 1.00 0.24 C ATOM 1379 O ARG B 14 0.460 -6.075 -2.315 1.00 0.25 O ATOM 1380 CB ARG B 14 3.723 -6.562 -2.204 1.00 0.31 C ATOM 1381 CG ARG B 14 4.084 -7.927 -1.635 1.00 0.42 C ATOM 1382 CD ARG B 14 5.208 -7.822 -0.613 1.00 0.37 C ATOM 1383 NE ARG B 14 5.202 -8.933 0.350 1.00 0.86 N ATOM 1384 CZ ARG B 14 6.067 -9.953 0.336 1.00 0.60 C ATOM 1385 NH1 ARG B 14 6.928 -10.089 -0.658 1.00 1.20 N ATOM 1386 NH2 ARG B 14 6.040 -10.865 1.302 1.00 1.04 N ATOM 0 H ARG B 14 4.139 -6.083 -4.571 1.00 0.27 H new ATOM 0 HA ARG B 14 2.199 -7.615 -3.295 1.00 0.27 H new ATOM 0 HB2 ARG B 14 4.612 -6.119 -2.654 1.00 0.31 H new ATOM 0 HB3 ARG B 14 3.419 -5.907 -1.387 1.00 0.31 H new ATOM 0 HG2 ARG B 14 3.206 -8.372 -1.168 1.00 0.42 H new ATOM 0 HG3 ARG B 14 4.386 -8.592 -2.444 1.00 0.42 H new ATOM 0 HD2 ARG B 14 6.166 -7.802 -1.133 1.00 0.37 H new ATOM 0 HD3 ARG B 14 5.117 -6.879 -0.074 1.00 0.37 H new ATOM 0 HE ARG B 14 4.489 -8.925 1.079 1.00 0.86 H new ATOM 0 HH11 ARG B 14 6.936 -9.413 -1.422 1.00 1.20 H new ATOM 0 HH12 ARG B 14 7.584 -10.870 -0.661 1.00 1.20 H new ATOM 0 HH21 ARG B 14 5.358 -10.788 2.057 1.00 1.04 H new ATOM 0 HH22 ARG B 14 6.701 -11.642 1.289 1.00 1.04 H new ATOM 1400 N ILE B 15 1.666 -4.374 -3.143 1.00 0.22 N ATOM 1401 CA ILE B 15 0.670 -3.367 -2.820 1.00 0.22 C ATOM 1402 C ILE B 15 -0.513 -3.447 -3.792 1.00 0.21 C ATOM 1403 O ILE B 15 -1.653 -3.167 -3.424 1.00 0.21 O ATOM 1404 CB ILE B 15 1.299 -1.949 -2.805 1.00 0.23 C ATOM 1405 CG1 ILE B 15 0.821 -1.160 -1.580 1.00 0.26 C ATOM 1406 CG2 ILE B 15 1.000 -1.184 -4.085 1.00 0.21 C ATOM 1407 CD1 ILE B 15 -0.667 -0.862 -1.562 1.00 0.29 C ATOM 0 H ILE B 15 2.500 -4.009 -3.603 1.00 0.22 H new ATOM 0 HA ILE B 15 0.292 -3.567 -1.817 1.00 0.22 H new ATOM 0 HB ILE B 15 2.380 -2.071 -2.743 1.00 0.23 H new ATOM 0 HG12 ILE B 15 1.077 -1.720 -0.681 1.00 0.26 H new ATOM 0 HG13 ILE B 15 1.367 -0.218 -1.535 1.00 0.26 H new ATOM 0 HG21 ILE B 15 1.458 -0.196 -4.034 1.00 0.21 H new ATOM 0 HG22 ILE B 15 1.406 -1.729 -4.938 1.00 0.21 H new ATOM 0 HG23 ILE B 15 -0.079 -1.078 -4.202 1.00 0.21 H new ATOM 0 HD11 ILE B 15 -0.915 -0.302 -0.661 1.00 0.29 H new ATOM 0 HD12 ILE B 15 -0.931 -0.272 -2.440 1.00 0.29 H new ATOM 0 HD13 ILE B 15 -1.226 -1.798 -1.572 1.00 0.29 H new ATOM 1419 N GLN B 16 -0.248 -3.850 -5.028 1.00 0.22 N ATOM 1420 CA GLN B 16 -1.319 -4.108 -5.981 1.00 0.24 C ATOM 1421 C GLN B 16 -2.177 -5.263 -5.472 1.00 0.23 C ATOM 1422 O GLN B 16 -3.386 -5.305 -5.685 1.00 0.25 O ATOM 1423 CB GLN B 16 -0.738 -4.424 -7.365 1.00 0.29 C ATOM 1424 CG GLN B 16 -1.777 -4.827 -8.404 1.00 0.92 C ATOM 1425 CD GLN B 16 -2.856 -3.778 -8.613 1.00 1.21 C ATOM 1426 OE1 GLN B 16 -2.624 -2.579 -8.451 1.00 1.80 O ATOM 1427 NE2 GLN B 16 -4.048 -4.225 -8.974 1.00 1.82 N ATOM 0 H GLN B 16 0.692 -4.004 -5.392 1.00 0.22 H new ATOM 0 HA GLN B 16 -1.943 -3.220 -6.078 1.00 0.24 H new ATOM 0 HB2 GLN B 16 -0.199 -3.549 -7.728 1.00 0.29 H new ATOM 0 HB3 GLN B 16 -0.010 -5.229 -7.265 1.00 0.29 H new ATOM 0 HG2 GLN B 16 -1.276 -5.017 -9.353 1.00 0.92 H new ATOM 0 HG3 GLN B 16 -2.244 -5.763 -8.097 1.00 0.92 H new ATOM 0 HE21 GLN B 16 -4.201 -5.226 -9.098 1.00 1.82 H new ATOM 0 HE22 GLN B 16 -4.814 -3.569 -9.128 1.00 1.82 H new ATOM 1436 N THR B 17 -1.537 -6.174 -4.759 1.00 0.24 N ATOM 1437 CA THR B 17 -2.224 -7.292 -4.140 1.00 0.26 C ATOM 1438 C THR B 17 -2.906 -6.846 -2.852 1.00 0.24 C ATOM 1439 O THR B 17 -3.866 -7.465 -2.391 1.00 0.34 O ATOM 1440 CB THR B 17 -1.248 -8.450 -3.855 1.00 0.31 C ATOM 1441 OG1 THR B 17 -0.421 -8.672 -5.007 1.00 0.32 O ATOM 1442 CG2 THR B 17 -1.999 -9.732 -3.521 1.00 0.43 C ATOM 0 H THR B 17 -0.531 -6.159 -4.594 1.00 0.24 H new ATOM 0 HA THR B 17 -2.983 -7.651 -4.835 1.00 0.26 H new ATOM 0 HB THR B 17 -0.634 -8.176 -2.997 1.00 0.31 H new ATOM 0 HG1 THR B 17 0.205 -7.925 -5.109 1.00 0.32 H new ATOM 0 HG21 THR B 17 -1.285 -10.532 -3.325 1.00 0.43 H new ATOM 0 HG22 THR B 17 -2.617 -9.572 -2.637 1.00 0.43 H new ATOM 0 HG23 THR B 17 -2.634 -10.011 -4.362 1.00 0.43 H new ATOM 1450 N ALA B 18 -2.402 -5.767 -2.272 1.00 0.20 N ATOM 1451 CA ALA B 18 -3.009 -5.183 -1.094 1.00 0.21 C ATOM 1452 C ALA B 18 -4.340 -4.538 -1.464 1.00 0.19 C ATOM 1453 O ALA B 18 -5.242 -4.432 -0.638 1.00 0.25 O ATOM 1454 CB ALA B 18 -2.076 -4.159 -0.465 1.00 0.26 C ATOM 0 H ALA B 18 -1.570 -5.279 -2.603 1.00 0.20 H new ATOM 0 HA ALA B 18 -3.190 -5.971 -0.363 1.00 0.21 H new ATOM 0 HB1 ALA B 18 -2.549 -3.731 0.419 1.00 0.26 H new ATOM 0 HB2 ALA B 18 -1.143 -4.644 -0.178 1.00 0.26 H new ATOM 0 HB3 ALA B 18 -1.867 -3.367 -1.184 1.00 0.26 H new ATOM 1460 N VAL B 19 -4.454 -4.113 -2.720 1.00 0.19 N ATOM 1461 CA VAL B 19 -5.635 -3.380 -3.164 1.00 0.24 C ATOM 1462 C VAL B 19 -6.556 -4.179 -4.092 1.00 0.25 C ATOM 1463 O VAL B 19 -7.690 -3.756 -4.331 1.00 0.32 O ATOM 1464 CB VAL B 19 -5.239 -2.085 -3.891 1.00 0.45 C ATOM 1465 CG1 VAL B 19 -4.232 -1.291 -3.079 1.00 1.06 C ATOM 1466 CG2 VAL B 19 -4.701 -2.396 -5.276 1.00 1.78 C ATOM 0 H VAL B 19 -3.749 -4.262 -3.442 1.00 0.19 H new ATOM 0 HA VAL B 19 -6.186 -3.166 -2.248 1.00 0.24 H new ATOM 0 HB VAL B 19 -6.132 -1.469 -4.003 1.00 0.45 H new ATOM 0 HG11 VAL B 19 -3.969 -0.380 -3.616 1.00 1.06 H new ATOM 0 HG12 VAL B 19 -4.667 -1.031 -2.114 1.00 1.06 H new ATOM 0 HG13 VAL B 19 -3.336 -1.892 -2.923 1.00 1.06 H new ATOM 0 HG21 VAL B 19 -4.426 -1.468 -5.776 1.00 1.78 H new ATOM 0 HG22 VAL B 19 -3.823 -3.036 -5.190 1.00 1.78 H new ATOM 0 HG23 VAL B 19 -5.468 -2.908 -5.858 1.00 1.78 H new ATOM 1476 N GLU B 20 -6.083 -5.308 -4.617 1.00 0.24 N ATOM 1477 CA GLU B 20 -6.846 -6.061 -5.621 1.00 0.31 C ATOM 1478 C GLU B 20 -8.233 -6.437 -5.106 1.00 0.31 C ATOM 1479 O GLU B 20 -9.208 -6.458 -5.860 1.00 0.33 O ATOM 1480 CB GLU B 20 -6.069 -7.304 -6.090 1.00 0.40 C ATOM 1481 CG GLU B 20 -5.575 -8.233 -4.980 1.00 0.42 C ATOM 1482 CD GLU B 20 -6.637 -9.188 -4.460 1.00 0.92 C ATOM 1483 OE1 GLU B 20 -7.225 -9.932 -5.272 1.00 1.61 O ATOM 1484 OE2 GLU B 20 -6.889 -9.200 -3.239 1.00 1.66 O ATOM 0 H GLU B 20 -5.184 -5.722 -4.369 1.00 0.24 H new ATOM 0 HA GLU B 20 -6.985 -5.409 -6.483 1.00 0.31 H new ATOM 0 HB2 GLU B 20 -6.708 -7.878 -6.762 1.00 0.40 H new ATOM 0 HB3 GLU B 20 -5.209 -6.974 -6.673 1.00 0.40 H new ATOM 0 HG2 GLU B 20 -4.730 -8.812 -5.353 1.00 0.42 H new ATOM 0 HG3 GLU B 20 -5.206 -7.629 -4.151 1.00 0.42 H new ATOM 1491 N ALA B 21 -8.302 -6.710 -3.814 1.00 0.31 N ATOM 1492 CA ALA B 21 -9.562 -7.021 -3.159 1.00 0.33 C ATOM 1493 C ALA B 21 -10.590 -5.910 -3.366 1.00 0.27 C ATOM 1494 O ALA B 21 -11.705 -6.161 -3.825 1.00 0.26 O ATOM 1495 CB ALA B 21 -9.329 -7.247 -1.680 1.00 0.38 C ATOM 0 H ALA B 21 -7.493 -6.723 -3.193 1.00 0.31 H new ATOM 0 HA ALA B 21 -9.961 -7.931 -3.608 1.00 0.33 H new ATOM 0 HB1 ALA B 21 -10.276 -7.480 -1.194 1.00 0.38 H new ATOM 0 HB2 ALA B 21 -8.637 -8.078 -1.543 1.00 0.38 H new ATOM 0 HB3 ALA B 21 -8.905 -6.346 -1.237 1.00 0.38 H new ATOM 1501 N ALA B 22 -10.196 -4.687 -3.046 1.00 0.27 N ATOM 1502 CA ALA B 22 -11.091 -3.537 -3.122 1.00 0.27 C ATOM 1503 C ALA B 22 -11.338 -3.102 -4.563 1.00 0.27 C ATOM 1504 O ALA B 22 -12.389 -2.546 -4.884 1.00 0.31 O ATOM 1505 CB ALA B 22 -10.547 -2.388 -2.294 1.00 0.33 C ATOM 0 H ALA B 22 -9.253 -4.462 -2.728 1.00 0.27 H new ATOM 0 HA ALA B 22 -12.054 -3.839 -2.710 1.00 0.27 H new ATOM 0 HB1 ALA B 22 -11.226 -1.538 -2.361 1.00 0.33 H new ATOM 0 HB2 ALA B 22 -10.458 -2.700 -1.253 1.00 0.33 H new ATOM 0 HB3 ALA B 22 -9.566 -2.100 -2.672 1.00 0.33 H new ATOM 1511 N MET B 23 -10.357 -3.314 -5.425 1.00 0.28 N ATOM 1512 CA MET B 23 -10.510 -2.979 -6.836 1.00 0.32 C ATOM 1513 C MET B 23 -11.490 -3.932 -7.500 1.00 0.33 C ATOM 1514 O MET B 23 -12.350 -3.512 -8.277 1.00 0.37 O ATOM 1515 CB MET B 23 -9.160 -3.007 -7.550 1.00 0.35 C ATOM 1516 CG MET B 23 -8.222 -1.930 -7.050 1.00 0.41 C ATOM 1517 SD MET B 23 -8.945 -0.282 -7.180 1.00 0.76 S ATOM 1518 CE MET B 23 -8.447 0.415 -5.612 1.00 0.77 C ATOM 0 H MET B 23 -9.452 -3.713 -5.178 1.00 0.28 H new ATOM 0 HA MET B 23 -10.908 -1.967 -6.909 1.00 0.32 H new ATOM 0 HB2 MET B 23 -8.697 -3.983 -7.408 1.00 0.35 H new ATOM 0 HB3 MET B 23 -9.316 -2.881 -8.621 1.00 0.35 H new ATOM 0 HG2 MET B 23 -7.963 -2.130 -6.010 1.00 0.41 H new ATOM 0 HG3 MET B 23 -7.295 -1.964 -7.622 1.00 0.41 H new ATOM 0 HE1 MET B 23 -9.296 0.417 -4.929 1.00 0.77 H new ATOM 0 HE2 MET B 23 -7.641 -0.184 -5.187 1.00 0.77 H new ATOM 0 HE3 MET B 23 -8.099 1.437 -5.762 1.00 0.77 H new ATOM 1528 N GLY B 24 -11.368 -5.210 -7.165 1.00 0.34 N ATOM 1529 CA GLY B 24 -12.316 -6.200 -7.631 1.00 0.39 C ATOM 1530 C GLY B 24 -13.548 -6.275 -6.750 1.00 0.43 C ATOM 1531 O GLY B 24 -14.258 -7.281 -6.743 1.00 0.63 O ATOM 0 H GLY B 24 -10.623 -5.579 -6.574 1.00 0.34 H new ATOM 0 HA2 GLY B 24 -12.616 -5.961 -8.651 1.00 0.39 H new ATOM 0 HA3 GLY B 24 -11.833 -7.177 -7.661 1.00 0.39 H new ATOM 1535 N MET B 25 -13.794 -5.215 -5.993 1.00 0.42 N ATOM 1536 CA MET B 25 -14.975 -5.134 -5.150 1.00 0.46 C ATOM 1537 C MET B 25 -16.163 -4.642 -5.963 1.00 0.44 C ATOM 1538 O MET B 25 -16.029 -3.725 -6.773 1.00 0.48 O ATOM 1539 CB MET B 25 -14.745 -4.174 -3.979 1.00 0.59 C ATOM 1540 CG MET B 25 -15.973 -4.009 -3.102 1.00 0.60 C ATOM 1541 SD MET B 25 -16.086 -2.391 -2.310 1.00 0.99 S ATOM 1542 CE MET B 25 -14.822 -2.529 -1.060 1.00 0.45 C ATOM 0 H MET B 25 -13.187 -4.396 -5.947 1.00 0.42 H new ATOM 0 HA MET B 25 -15.178 -6.131 -4.760 1.00 0.46 H new ATOM 0 HB2 MET B 25 -13.917 -4.541 -3.372 1.00 0.59 H new ATOM 0 HB3 MET B 25 -14.448 -3.200 -4.367 1.00 0.59 H new ATOM 0 HG2 MET B 25 -16.865 -4.171 -3.707 1.00 0.60 H new ATOM 0 HG3 MET B 25 -15.965 -4.781 -2.332 1.00 0.60 H new ATOM 0 HE1 MET B 25 -15.281 -2.491 -0.072 1.00 0.45 H new ATOM 0 HE2 MET B 25 -14.295 -3.476 -1.179 1.00 0.45 H new ATOM 0 HE3 MET B 25 -14.116 -1.705 -1.164 1.00 0.45 H new ATOM 1552 N SER B 26 -17.322 -5.239 -5.737 1.00 0.51 N ATOM 1553 CA SER B 26 -18.539 -4.816 -6.401 1.00 0.60 C ATOM 1554 C SER B 26 -19.231 -3.706 -5.620 1.00 0.83 C ATOM 1555 O SER B 26 -20.348 -3.855 -5.129 1.00 1.79 O ATOM 1556 CB SER B 26 -19.459 -6.008 -6.583 1.00 0.63 C ATOM 1557 OG SER B 26 -19.553 -6.768 -5.389 1.00 1.43 O ATOM 0 H SER B 26 -17.443 -6.022 -5.095 1.00 0.51 H new ATOM 0 HA SER B 26 -18.284 -4.414 -7.381 1.00 0.60 H new ATOM 0 HB2 SER B 26 -20.450 -5.664 -6.878 1.00 0.63 H new ATOM 0 HB3 SER B 26 -19.087 -6.638 -7.391 1.00 0.63 H new ATOM 0 HG SER B 26 -20.153 -7.529 -5.532 1.00 1.43 H new ATOM 1563 N TYR B 27 -18.548 -2.585 -5.520 1.00 0.48 N ATOM 1564 CA TYR B 27 -19.065 -1.424 -4.817 1.00 0.47 C ATOM 1565 C TYR B 27 -20.172 -0.751 -5.630 1.00 0.48 C ATOM 1566 O TYR B 27 -20.930 0.058 -5.104 1.00 0.54 O ATOM 1567 CB TYR B 27 -17.924 -0.435 -4.575 1.00 0.47 C ATOM 1568 CG TYR B 27 -17.312 0.058 -5.862 1.00 0.42 C ATOM 1569 CD1 TYR B 27 -17.827 1.172 -6.498 1.00 1.16 C ATOM 1570 CD2 TYR B 27 -16.257 -0.615 -6.462 1.00 1.36 C ATOM 1571 CE1 TYR B 27 -17.322 1.612 -7.699 1.00 1.18 C ATOM 1572 CE2 TYR B 27 -15.738 -0.185 -7.659 1.00 1.39 C ATOM 1573 CZ TYR B 27 -16.272 0.927 -8.281 1.00 0.54 C ATOM 1574 OH TYR B 27 -15.750 1.352 -9.480 1.00 0.68 O ATOM 0 H TYR B 27 -17.620 -2.450 -5.922 1.00 0.48 H new ATOM 0 HA TYR B 27 -19.486 -1.744 -3.864 1.00 0.47 H new ATOM 0 HB2 TYR B 27 -18.298 0.415 -4.004 1.00 0.47 H new ATOM 0 HB3 TYR B 27 -17.154 -0.913 -3.969 1.00 0.47 H new ATOM 0 HD1 TYR B 27 -18.645 1.709 -6.041 1.00 1.16 H new ATOM 0 HD2 TYR B 27 -15.839 -1.487 -5.982 1.00 1.36 H new ATOM 0 HE1 TYR B 27 -17.741 2.483 -8.182 1.00 1.18 H new ATOM 0 HE2 TYR B 27 -14.914 -0.715 -8.113 1.00 1.39 H new ATOM 0 HH TYR B 27 -15.017 0.758 -9.747 1.00 0.68 H new ATOM 1584 N GLN B 28 -20.256 -1.098 -6.915 1.00 0.53 N ATOM 1585 CA GLN B 28 -21.203 -0.463 -7.832 1.00 0.62 C ATOM 1586 C GLN B 28 -22.648 -0.808 -7.478 1.00 0.70 C ATOM 1587 O GLN B 28 -23.579 -0.163 -7.959 1.00 0.86 O ATOM 1588 CB GLN B 28 -20.903 -0.871 -9.276 1.00 0.72 C ATOM 1589 CG GLN B 28 -21.119 -2.351 -9.559 1.00 1.34 C ATOM 1590 CD GLN B 28 -20.665 -2.751 -10.950 1.00 1.67 C ATOM 1591 OE1 GLN B 28 -19.625 -2.098 -11.445 1.00 2.14 O flip ATOM 1592 NE2 GLN B 28 -21.231 -3.654 -11.566 1.00 2.12 N flip ATOM 0 H GLN B 28 -19.677 -1.819 -7.346 1.00 0.53 H new ATOM 0 HA GLN B 28 -21.083 0.616 -7.733 1.00 0.62 H new ATOM 0 HB2 GLN B 28 -21.534 -0.288 -9.946 1.00 0.72 H new ATOM 0 HB3 GLN B 28 -19.869 -0.614 -9.508 1.00 0.72 H new ATOM 0 HG2 GLN B 28 -20.577 -2.941 -8.820 1.00 1.34 H new ATOM 0 HG3 GLN B 28 -22.176 -2.589 -9.444 1.00 1.34 H new ATOM 0 HE21 GLN B 28 -22.030 -4.133 -11.149 1.00 2.12 H new ATOM 0 HE22 GLN B 28 -20.901 -3.923 -12.493 1.00 2.12 H new ATOM 1601 N ASP B 29 -22.828 -1.822 -6.637 1.00 0.69 N ATOM 1602 CA ASP B 29 -24.158 -2.196 -6.169 1.00 0.84 C ATOM 1603 C ASP B 29 -24.647 -1.165 -5.159 1.00 0.69 C ATOM 1604 O ASP B 29 -25.845 -1.016 -4.921 1.00 0.84 O ATOM 1605 CB ASP B 29 -24.137 -3.594 -5.539 1.00 1.06 C ATOM 1606 CG ASP B 29 -25.527 -4.125 -5.238 1.00 1.87 C ATOM 1607 OD1 ASP B 29 -26.215 -4.565 -6.188 1.00 2.58 O ATOM 1608 OD2 ASP B 29 -25.940 -4.113 -4.061 1.00 2.56 O ATOM 0 H ASP B 29 -22.072 -2.398 -6.267 1.00 0.69 H new ATOM 0 HA ASP B 29 -24.840 -2.220 -7.019 1.00 0.84 H new ATOM 0 HB2 ASP B 29 -23.628 -4.283 -6.213 1.00 1.06 H new ATOM 0 HB3 ASP B 29 -23.557 -3.563 -4.616 1.00 1.06 H new ATOM 1613 N ALA B 30 -23.697 -0.439 -4.584 1.00 0.68 N ATOM 1614 CA ALA B 30 -23.996 0.624 -3.643 1.00 0.53 C ATOM 1615 C ALA B 30 -24.348 1.900 -4.398 1.00 0.54 C ATOM 1616 O ALA B 30 -23.915 2.078 -5.540 1.00 0.64 O ATOM 1617 CB ALA B 30 -22.799 0.855 -2.729 1.00 0.46 C ATOM 0 H ALA B 30 -22.701 -0.573 -4.758 1.00 0.68 H new ATOM 0 HA ALA B 30 -24.851 0.336 -3.031 1.00 0.53 H new ATOM 0 HB1 ALA B 30 -23.028 1.654 -2.024 1.00 0.46 H new ATOM 0 HB2 ALA B 30 -22.578 -0.061 -2.180 1.00 0.46 H new ATOM 0 HB3 ALA B 30 -21.933 1.137 -3.328 1.00 0.46 H new ATOM 1623 N PRO B 31 -25.155 2.789 -3.785 1.00 0.53 N ATOM 1624 CA PRO B 31 -25.519 4.080 -4.373 1.00 0.63 C ATOM 1625 C PRO B 31 -24.327 4.821 -4.939 1.00 0.53 C ATOM 1626 O PRO B 31 -23.191 4.637 -4.503 1.00 0.45 O ATOM 1627 CB PRO B 31 -26.074 4.858 -3.193 1.00 0.71 C ATOM 1628 CG PRO B 31 -26.657 3.820 -2.305 1.00 0.62 C ATOM 1629 CD PRO B 31 -25.793 2.597 -2.473 1.00 0.51 C ATOM 0 HA PRO B 31 -26.212 3.955 -5.205 1.00 0.63 H new ATOM 0 HB2 PRO B 31 -25.291 5.421 -2.685 1.00 0.71 H new ATOM 0 HB3 PRO B 31 -26.828 5.577 -3.511 1.00 0.71 H new ATOM 0 HG2 PRO B 31 -26.664 4.153 -1.267 1.00 0.62 H new ATOM 0 HG3 PRO B 31 -27.691 3.608 -2.579 1.00 0.62 H new ATOM 0 HD2 PRO B 31 -25.053 2.519 -1.677 1.00 0.51 H new ATOM 0 HD3 PRO B 31 -26.386 1.683 -2.448 1.00 0.51 H new ATOM 1637 N ASN B 32 -24.626 5.686 -5.893 1.00 0.61 N ATOM 1638 CA ASN B 32 -23.620 6.419 -6.649 1.00 0.62 C ATOM 1639 C ASN B 32 -22.662 7.176 -5.748 1.00 0.59 C ATOM 1640 O ASN B 32 -21.485 7.264 -6.055 1.00 0.63 O ATOM 1641 CB ASN B 32 -24.294 7.388 -7.627 1.00 0.73 C ATOM 1642 CG ASN B 32 -25.105 8.480 -6.946 1.00 1.57 C ATOM 1643 OD1 ASN B 32 -25.667 8.281 -5.868 1.00 2.37 O ATOM 1644 ND2 ASN B 32 -25.170 9.643 -7.574 1.00 2.04 N ATOM 0 H ASN B 32 -25.584 5.903 -6.169 1.00 0.61 H new ATOM 0 HA ASN B 32 -23.036 5.685 -7.204 1.00 0.62 H new ATOM 0 HB2 ASN B 32 -23.529 7.851 -8.250 1.00 0.73 H new ATOM 0 HB3 ASN B 32 -24.948 6.823 -8.291 1.00 0.73 H new ATOM 0 HD21 ASN B 32 -25.699 10.414 -7.167 1.00 2.04 H new ATOM 0 HD22 ASN B 32 -24.691 9.769 -8.466 1.00 2.04 H new ATOM 1651 N ASN B 33 -23.158 7.722 -4.649 1.00 0.60 N ATOM 1652 CA ASN B 33 -22.306 8.447 -3.714 1.00 0.61 C ATOM 1653 C ASN B 33 -21.506 7.505 -2.823 1.00 0.53 C ATOM 1654 O ASN B 33 -20.392 7.835 -2.422 1.00 0.50 O ATOM 1655 CB ASN B 33 -23.117 9.432 -2.873 1.00 0.72 C ATOM 1656 CG ASN B 33 -24.395 8.833 -2.300 1.00 1.57 C ATOM 1657 OD1 ASN B 33 -24.494 7.623 -2.090 1.00 2.34 O ATOM 1658 ND2 ASN B 33 -25.381 9.676 -2.030 1.00 2.16 N ATOM 0 H ASN B 33 -24.141 7.679 -4.381 1.00 0.60 H new ATOM 0 HA ASN B 33 -21.593 9.016 -4.311 1.00 0.61 H new ATOM 0 HB2 ASN B 33 -22.496 9.795 -2.054 1.00 0.72 H new ATOM 0 HB3 ASN B 33 -23.373 10.296 -3.486 1.00 0.72 H new ATOM 0 HD21 ASN B 33 -26.255 9.329 -1.636 1.00 2.16 H new ATOM 0 HD22 ASN B 33 -25.266 10.672 -2.216 1.00 2.16 H new ATOM 1665 N VAL B 34 -22.058 6.337 -2.515 1.00 0.50 N ATOM 1666 CA VAL B 34 -21.311 5.340 -1.760 1.00 0.50 C ATOM 1667 C VAL B 34 -20.219 4.784 -2.645 1.00 0.43 C ATOM 1668 O VAL B 34 -19.053 4.766 -2.269 1.00 0.44 O ATOM 1669 CB VAL B 34 -22.186 4.174 -1.255 1.00 0.61 C ATOM 1670 CG1 VAL B 34 -21.378 3.266 -0.340 1.00 1.42 C ATOM 1671 CG2 VAL B 34 -23.427 4.681 -0.538 1.00 0.59 C ATOM 0 H VAL B 34 -23.006 6.060 -2.772 1.00 0.50 H new ATOM 0 HA VAL B 34 -20.906 5.838 -0.879 1.00 0.50 H new ATOM 0 HB VAL B 34 -22.514 3.601 -2.122 1.00 0.61 H new ATOM 0 HG11 VAL B 34 -22.008 2.448 0.009 1.00 1.42 H new ATOM 0 HG12 VAL B 34 -20.527 2.861 -0.888 1.00 1.42 H new ATOM 0 HG13 VAL B 34 -21.019 3.838 0.516 1.00 1.42 H new ATOM 0 HG21 VAL B 34 -24.021 3.834 -0.195 1.00 0.59 H new ATOM 0 HG22 VAL B 34 -23.131 5.286 0.319 1.00 0.59 H new ATOM 0 HG23 VAL B 34 -24.021 5.287 -1.222 1.00 0.59 H new ATOM 1681 N ARG B 35 -20.599 4.372 -3.847 1.00 0.43 N ATOM 1682 CA ARG B 35 -19.638 3.880 -4.814 1.00 0.44 C ATOM 1683 C ARG B 35 -18.675 4.989 -5.217 1.00 0.39 C ATOM 1684 O ARG B 35 -17.565 4.711 -5.624 1.00 0.42 O ATOM 1685 CB ARG B 35 -20.311 3.223 -6.028 1.00 0.51 C ATOM 1686 CG ARG B 35 -21.261 4.097 -6.822 1.00 0.52 C ATOM 1687 CD ARG B 35 -21.960 3.279 -7.899 1.00 0.59 C ATOM 1688 NE ARG B 35 -22.906 4.073 -8.680 1.00 1.08 N ATOM 1689 CZ ARG B 35 -24.220 3.824 -8.735 1.00 1.34 C ATOM 1690 NH1 ARG B 35 -24.749 2.843 -8.015 1.00 1.49 N ATOM 1691 NH2 ARG B 35 -25.009 4.568 -9.495 1.00 2.15 N ATOM 0 H ARG B 35 -21.566 4.370 -4.172 1.00 0.43 H new ATOM 0 HA ARG B 35 -19.059 3.090 -4.335 1.00 0.44 H new ATOM 0 HB2 ARG B 35 -19.531 2.866 -6.701 1.00 0.51 H new ATOM 0 HB3 ARG B 35 -20.860 2.347 -5.683 1.00 0.51 H new ATOM 0 HG2 ARG B 35 -22.001 4.540 -6.155 1.00 0.52 H new ATOM 0 HG3 ARG B 35 -20.712 4.919 -7.280 1.00 0.52 H new ATOM 0 HD2 ARG B 35 -21.213 2.850 -8.567 1.00 0.59 H new ATOM 0 HD3 ARG B 35 -22.487 2.446 -7.433 1.00 0.59 H new ATOM 0 HE ARG B 35 -22.544 4.863 -9.214 1.00 1.08 H new ATOM 0 HH11 ARG B 35 -24.153 2.273 -7.414 1.00 1.49 H new ATOM 0 HH12 ARG B 35 -25.751 2.659 -8.062 1.00 1.49 H new ATOM 0 HH21 ARG B 35 -24.616 5.334 -10.041 1.00 2.15 H new ATOM 0 HH22 ARG B 35 -26.010 4.375 -9.534 1.00 2.15 H new ATOM 1705 N ARG B 36 -19.137 6.238 -5.175 1.00 0.38 N ATOM 1706 CA ARG B 36 -18.249 7.401 -5.288 1.00 0.36 C ATOM 1707 C ARG B 36 -17.304 7.540 -4.102 1.00 0.34 C ATOM 1708 O ARG B 36 -16.209 8.075 -4.243 1.00 0.33 O ATOM 1709 CB ARG B 36 -19.023 8.694 -5.441 1.00 0.41 C ATOM 1710 CG ARG B 36 -19.073 9.219 -6.863 1.00 0.57 C ATOM 1711 CD ARG B 36 -18.888 8.113 -7.889 1.00 0.75 C ATOM 1712 NE ARG B 36 -18.808 8.637 -9.251 1.00 1.40 N ATOM 1713 CZ ARG B 36 -18.465 7.905 -10.309 1.00 2.09 C ATOM 1714 NH1 ARG B 36 -18.186 6.612 -10.168 1.00 2.45 N ATOM 1715 NH2 ARG B 36 -18.390 8.473 -11.506 1.00 2.88 N ATOM 0 H ARG B 36 -20.123 6.474 -5.063 1.00 0.38 H new ATOM 0 HA ARG B 36 -17.659 7.220 -6.186 1.00 0.36 H new ATOM 0 HB2 ARG B 36 -20.042 8.540 -5.086 1.00 0.41 H new ATOM 0 HB3 ARG B 36 -18.573 9.453 -4.800 1.00 0.41 H new ATOM 0 HG2 ARG B 36 -20.029 9.714 -7.033 1.00 0.57 H new ATOM 0 HG3 ARG B 36 -18.296 9.972 -6.998 1.00 0.57 H new ATOM 0 HD2 ARG B 36 -17.979 7.556 -7.661 1.00 0.75 H new ATOM 0 HD3 ARG B 36 -19.719 7.411 -7.819 1.00 0.75 H new ATOM 0 HE ARG B 36 -19.028 9.622 -9.400 1.00 1.40 H new ATOM 0 HH11 ARG B 36 -18.234 6.177 -9.247 1.00 2.45 H new ATOM 0 HH12 ARG B 36 -17.924 6.055 -10.981 1.00 2.45 H new ATOM 0 HH21 ARG B 36 -18.595 9.467 -11.613 1.00 2.88 H new ATOM 0 HH22 ARG B 36 -18.128 7.916 -12.319 1.00 2.88 H new ATOM 1729 N ASP B 37 -17.731 7.142 -2.924 1.00 0.34 N ATOM 1730 CA ASP B 37 -16.813 7.119 -1.798 1.00 0.34 C ATOM 1731 C ASP B 37 -15.795 6.013 -2.024 1.00 0.28 C ATOM 1732 O ASP B 37 -14.630 6.125 -1.645 1.00 0.29 O ATOM 1733 CB ASP B 37 -17.540 6.926 -0.477 1.00 0.38 C ATOM 1734 CG ASP B 37 -17.262 8.065 0.476 1.00 0.75 C ATOM 1735 OD1 ASP B 37 -16.158 8.106 1.057 1.00 1.47 O ATOM 1736 OD2 ASP B 37 -18.139 8.938 0.642 1.00 1.39 O ATOM 0 H ASP B 37 -18.682 6.836 -2.719 1.00 0.34 H new ATOM 0 HA ASP B 37 -16.307 8.082 -1.735 1.00 0.34 H new ATOM 0 HB2 ASP B 37 -18.613 6.854 -0.657 1.00 0.38 H new ATOM 0 HB3 ASP B 37 -17.229 5.985 -0.023 1.00 0.38 H new ATOM 1741 N LEU B 38 -16.245 4.947 -2.678 1.00 0.26 N ATOM 1742 CA LEU B 38 -15.338 3.938 -3.195 1.00 0.24 C ATOM 1743 C LEU B 38 -14.567 4.495 -4.390 1.00 0.23 C ATOM 1744 O LEU B 38 -13.522 3.975 -4.747 1.00 0.22 O ATOM 1745 CB LEU B 38 -16.054 2.637 -3.584 1.00 0.33 C ATOM 1746 CG LEU B 38 -16.541 1.748 -2.426 1.00 0.30 C ATOM 1747 CD1 LEU B 38 -15.632 1.864 -1.219 1.00 0.61 C ATOM 1748 CD2 LEU B 38 -17.971 2.062 -2.047 1.00 0.49 C ATOM 0 H LEU B 38 -17.232 4.763 -2.860 1.00 0.26 H new ATOM 0 HA LEU B 38 -14.645 3.687 -2.392 1.00 0.24 H new ATOM 0 HB2 LEU B 38 -16.914 2.893 -4.203 1.00 0.33 H new ATOM 0 HB3 LEU B 38 -15.379 2.049 -4.205 1.00 0.33 H new ATOM 0 HG LEU B 38 -16.506 0.717 -2.778 1.00 0.30 H new ATOM 0 HD11 LEU B 38 -16.005 1.223 -0.420 1.00 0.61 H new ATOM 0 HD12 LEU B 38 -14.623 1.554 -1.492 1.00 0.61 H new ATOM 0 HD13 LEU B 38 -15.613 2.898 -0.876 1.00 0.61 H new ATOM 0 HD21 LEU B 38 -18.280 1.415 -1.226 1.00 0.49 H new ATOM 0 HD22 LEU B 38 -18.044 3.104 -1.735 1.00 0.49 H new ATOM 0 HD23 LEU B 38 -18.620 1.894 -2.906 1.00 0.49 H new ATOM 1760 N ASP B 39 -15.127 5.517 -5.044 1.00 0.25 N ATOM 1761 CA ASP B 39 -14.417 6.254 -6.092 1.00 0.26 C ATOM 1762 C ASP B 39 -13.252 7.000 -5.473 1.00 0.24 C ATOM 1763 O ASP B 39 -12.169 7.072 -6.041 1.00 0.25 O ATOM 1764 CB ASP B 39 -15.328 7.234 -6.838 1.00 0.30 C ATOM 1765 CG ASP B 39 -14.557 8.134 -7.791 1.00 0.82 C ATOM 1766 OD1 ASP B 39 -14.161 7.660 -8.875 1.00 1.50 O ATOM 1767 OD2 ASP B 39 -14.351 9.324 -7.459 1.00 1.53 O ATOM 0 H ASP B 39 -16.073 5.853 -4.865 1.00 0.25 H new ATOM 0 HA ASP B 39 -14.060 5.531 -6.825 1.00 0.26 H new ATOM 0 HB2 ASP B 39 -16.077 6.674 -7.398 1.00 0.30 H new ATOM 0 HB3 ASP B 39 -15.864 7.849 -6.115 1.00 0.30 H new ATOM 1772 N ASN B 40 -13.492 7.546 -4.289 1.00 0.25 N ATOM 1773 CA ASN B 40 -12.443 8.166 -3.494 1.00 0.24 C ATOM 1774 C ASN B 40 -11.440 7.115 -3.062 1.00 0.24 C ATOM 1775 O ASN B 40 -10.232 7.317 -3.173 1.00 0.26 O ATOM 1776 CB ASN B 40 -13.034 8.866 -2.266 1.00 0.26 C ATOM 1777 CG ASN B 40 -13.757 10.153 -2.610 1.00 0.65 C ATOM 1778 OD1 ASN B 40 -13.312 10.821 -3.662 1.00 1.10 O flip ATOM 1779 ND2 ASN B 40 -14.709 10.544 -1.932 1.00 1.29 N flip ATOM 0 H ASN B 40 -14.415 7.571 -3.855 1.00 0.25 H new ATOM 0 HA ASN B 40 -11.940 8.915 -4.105 1.00 0.24 H new ATOM 0 HB2 ASN B 40 -13.727 8.189 -1.767 1.00 0.26 H new ATOM 0 HB3 ASN B 40 -12.234 9.083 -1.558 1.00 0.26 H new ATOM 0 HD21 ASN B 40 -15.021 9.999 -1.128 1.00 1.29 H new ATOM 0 HD22 ASN B 40 -15.185 11.413 -2.175 1.00 1.29 H new ATOM 1786 N LEU B 41 -11.948 5.983 -2.580 1.00 0.25 N ATOM 1787 CA LEU B 41 -11.097 4.858 -2.227 1.00 0.28 C ATOM 1788 C LEU B 41 -10.262 4.448 -3.432 1.00 0.30 C ATOM 1789 O LEU B 41 -9.067 4.240 -3.319 1.00 0.37 O ATOM 1790 CB LEU B 41 -11.929 3.673 -1.734 1.00 0.29 C ATOM 1791 CG LEU B 41 -11.111 2.452 -1.304 1.00 0.47 C ATOM 1792 CD1 LEU B 41 -10.133 2.825 -0.199 1.00 0.36 C ATOM 1793 CD2 LEU B 41 -12.030 1.334 -0.842 1.00 1.04 C ATOM 0 H LEU B 41 -12.944 5.824 -2.426 1.00 0.25 H new ATOM 0 HA LEU B 41 -10.436 5.166 -1.417 1.00 0.28 H new ATOM 0 HB2 LEU B 41 -12.539 4.000 -0.892 1.00 0.29 H new ATOM 0 HB3 LEU B 41 -12.615 3.373 -2.526 1.00 0.29 H new ATOM 0 HG LEU B 41 -10.541 2.100 -2.164 1.00 0.47 H new ATOM 0 HD11 LEU B 41 -9.561 1.944 0.093 1.00 0.36 H new ATOM 0 HD12 LEU B 41 -9.453 3.596 -0.560 1.00 0.36 H new ATOM 0 HD13 LEU B 41 -10.684 3.202 0.663 1.00 0.36 H new ATOM 0 HD21 LEU B 41 -11.433 0.474 -0.540 1.00 1.04 H new ATOM 0 HD22 LEU B 41 -12.625 1.678 0.004 1.00 1.04 H new ATOM 0 HD23 LEU B 41 -12.693 1.047 -1.658 1.00 1.04 H new ATOM 1805 N HIS B 42 -10.894 4.370 -4.590 1.00 0.27 N ATOM 1806 CA HIS B 42 -10.197 4.008 -5.811 1.00 0.32 C ATOM 1807 C HIS B 42 -9.146 5.035 -6.156 1.00 0.38 C ATOM 1808 O HIS B 42 -7.979 4.704 -6.226 1.00 0.58 O ATOM 1809 CB HIS B 42 -11.172 3.840 -6.980 1.00 0.32 C ATOM 1810 CG HIS B 42 -11.724 2.458 -7.068 1.00 0.33 C ATOM 1811 ND1 HIS B 42 -11.825 1.509 -6.119 1.00 0.40 N flip ATOM 1812 CD2 HIS B 42 -12.222 1.902 -8.225 1.00 0.33 C flip ATOM 1813 CE1 HIS B 42 -12.379 0.399 -6.707 1.00 0.44 C flip ATOM 1814 NE2 HIS B 42 -12.609 0.663 -7.981 1.00 0.39 N flip ATOM 0 H HIS B 42 -11.890 4.553 -4.710 1.00 0.27 H new ATOM 0 HA HIS B 42 -9.706 3.051 -5.635 1.00 0.32 H new ATOM 0 HB2 HIS B 42 -11.992 4.549 -6.870 1.00 0.32 H new ATOM 0 HB3 HIS B 42 -10.662 4.084 -7.912 1.00 0.32 H new ATOM 0 HD2 HIS B 42 -12.286 2.400 -9.181 1.00 0.33 H new ATOM 0 HE1 HIS B 42 -12.592 -0.536 -6.210 1.00 0.44 H new ATOM 0 HE2 HIS B 42 -13.016 0.020 -8.660 1.00 0.39 H new ATOM 1823 N ALA B 43 -9.555 6.282 -6.299 1.00 0.33 N ATOM 1824 CA ALA B 43 -8.645 7.335 -6.713 1.00 0.37 C ATOM 1825 C ALA B 43 -7.470 7.461 -5.755 1.00 0.38 C ATOM 1826 O ALA B 43 -6.321 7.474 -6.180 1.00 0.39 O ATOM 1827 CB ALA B 43 -9.387 8.657 -6.814 1.00 0.42 C ATOM 0 H ALA B 43 -10.513 6.591 -6.134 1.00 0.33 H new ATOM 0 HA ALA B 43 -8.249 7.072 -7.694 1.00 0.37 H new ATOM 0 HB1 ALA B 43 -8.695 9.440 -7.125 1.00 0.42 H new ATOM 0 HB2 ALA B 43 -10.189 8.569 -7.547 1.00 0.42 H new ATOM 0 HB3 ALA B 43 -9.810 8.912 -5.842 1.00 0.42 H new ATOM 1833 N CYS B 44 -7.758 7.542 -4.463 1.00 0.38 N ATOM 1834 CA CYS B 44 -6.716 7.747 -3.471 1.00 0.40 C ATOM 1835 C CYS B 44 -5.889 6.485 -3.197 1.00 0.35 C ATOM 1836 O CYS B 44 -4.707 6.583 -2.898 1.00 0.35 O ATOM 1837 CB CYS B 44 -7.300 8.288 -2.176 1.00 0.46 C ATOM 1838 SG CYS B 44 -8.350 9.746 -2.397 1.00 1.64 S ATOM 0 H CYS B 44 -8.701 7.469 -4.080 1.00 0.38 H new ATOM 0 HA CYS B 44 -6.034 8.485 -3.893 1.00 0.40 H new ATOM 0 HB2 CYS B 44 -7.883 7.502 -1.696 1.00 0.46 H new ATOM 0 HB3 CYS B 44 -6.484 8.539 -1.498 1.00 0.46 H new ATOM 0 HG CYS B 44 -9.529 9.375 -2.799 1.00 1.64 H new ATOM 1844 N LEU B 45 -6.499 5.304 -3.279 1.00 0.32 N ATOM 1845 CA LEU B 45 -5.760 4.057 -3.047 1.00 0.29 C ATOM 1846 C LEU B 45 -4.994 3.661 -4.303 1.00 0.28 C ATOM 1847 O LEU B 45 -3.934 3.035 -4.241 1.00 0.32 O ATOM 1848 CB LEU B 45 -6.701 2.930 -2.612 1.00 0.27 C ATOM 1849 CG LEU B 45 -6.036 1.594 -2.290 1.00 0.80 C ATOM 1850 CD1 LEU B 45 -5.020 1.760 -1.174 1.00 0.66 C ATOM 1851 CD2 LEU B 45 -7.085 0.564 -1.905 1.00 1.77 C ATOM 0 H LEU B 45 -7.487 5.181 -3.500 1.00 0.32 H new ATOM 0 HA LEU B 45 -5.048 4.226 -2.239 1.00 0.29 H new ATOM 0 HB2 LEU B 45 -7.251 3.262 -1.731 1.00 0.27 H new ATOM 0 HB3 LEU B 45 -7.433 2.768 -3.403 1.00 0.27 H new ATOM 0 HG LEU B 45 -5.513 1.243 -3.180 1.00 0.80 H new ATOM 0 HD11 LEU B 45 -4.556 0.798 -0.958 1.00 0.66 H new ATOM 0 HD12 LEU B 45 -4.254 2.471 -1.482 1.00 0.66 H new ATOM 0 HD13 LEU B 45 -5.520 2.131 -0.279 1.00 0.66 H new ATOM 0 HD21 LEU B 45 -6.598 -0.384 -1.678 1.00 1.77 H new ATOM 0 HD22 LEU B 45 -7.631 0.911 -1.028 1.00 1.77 H new ATOM 0 HD23 LEU B 45 -7.780 0.425 -2.733 1.00 1.77 H new ATOM 1863 N ASN B 46 -5.542 4.020 -5.448 1.00 0.28 N ATOM 1864 CA ASN B 46 -4.831 3.897 -6.710 1.00 0.33 C ATOM 1865 C ASN B 46 -3.714 4.941 -6.734 1.00 0.36 C ATOM 1866 O ASN B 46 -2.654 4.722 -7.308 1.00 0.47 O ATOM 1867 CB ASN B 46 -5.851 3.999 -7.874 1.00 0.35 C ATOM 1868 CG ASN B 46 -5.291 4.380 -9.247 1.00 0.45 C ATOM 1869 OD1 ASN B 46 -4.366 5.177 -9.382 1.00 1.14 O ATOM 1870 ND2 ASN B 46 -5.880 3.815 -10.292 1.00 0.98 N ATOM 0 H ASN B 46 -6.484 4.402 -5.532 1.00 0.28 H new ATOM 0 HA ASN B 46 -4.347 2.928 -6.829 1.00 0.33 H new ATOM 0 HB2 ASN B 46 -6.358 3.038 -7.968 1.00 0.35 H new ATOM 0 HB3 ASN B 46 -6.608 4.733 -7.600 1.00 0.35 H new ATOM 0 HD21 ASN B 46 -5.567 4.039 -11.237 1.00 0.98 H new ATOM 0 HD22 ASN B 46 -6.646 3.156 -10.151 1.00 0.98 H new ATOM 1877 N LYS B 47 -3.919 6.012 -5.970 1.00 0.35 N ATOM 1878 CA LYS B 47 -2.934 7.069 -5.806 1.00 0.37 C ATOM 1879 C LYS B 47 -1.881 6.609 -4.805 1.00 0.36 C ATOM 1880 O LYS B 47 -0.730 7.019 -4.855 1.00 0.35 O ATOM 1881 CB LYS B 47 -3.616 8.332 -5.274 1.00 0.44 C ATOM 1882 CG LYS B 47 -2.708 9.542 -5.170 1.00 0.92 C ATOM 1883 CD LYS B 47 -3.310 10.622 -4.285 1.00 0.81 C ATOM 1884 CE LYS B 47 -3.416 10.165 -2.841 1.00 1.08 C ATOM 1885 NZ LYS B 47 -3.946 11.235 -1.956 1.00 1.51 N ATOM 0 H LYS B 47 -4.780 6.168 -5.446 1.00 0.35 H new ATOM 0 HA LYS B 47 -2.468 7.289 -6.767 1.00 0.37 H new ATOM 0 HB2 LYS B 47 -4.455 8.578 -5.925 1.00 0.44 H new ATOM 0 HB3 LYS B 47 -4.030 8.118 -4.288 1.00 0.44 H new ATOM 0 HG2 LYS B 47 -1.742 9.238 -4.767 1.00 0.92 H new ATOM 0 HG3 LYS B 47 -2.526 9.947 -6.165 1.00 0.92 H new ATOM 0 HD2 LYS B 47 -2.696 11.521 -4.339 1.00 0.81 H new ATOM 0 HD3 LYS B 47 -4.299 10.888 -4.657 1.00 0.81 H new ATOM 0 HE2 LYS B 47 -4.066 9.292 -2.784 1.00 1.08 H new ATOM 0 HE3 LYS B 47 -2.433 9.854 -2.486 1.00 1.08 H new ATOM 0 HZ1 LYS B 47 -4.002 10.882 -0.980 1.00 1.51 H new ATOM 0 HZ2 LYS B 47 -3.312 12.059 -1.990 1.00 1.51 H new ATOM 0 HZ3 LYS B 47 -4.895 11.514 -2.278 1.00 1.51 H new ATOM 1899 N ALA B 48 -2.310 5.760 -3.881 1.00 0.40 N ATOM 1900 CA ALA B 48 -1.426 5.183 -2.884 1.00 0.41 C ATOM 1901 C ALA B 48 -0.371 4.326 -3.550 1.00 0.38 C ATOM 1902 O ALA B 48 0.805 4.399 -3.223 1.00 0.37 O ATOM 1903 CB ALA B 48 -2.219 4.357 -1.887 1.00 0.49 C ATOM 0 H ALA B 48 -3.280 5.454 -3.804 1.00 0.40 H new ATOM 0 HA ALA B 48 -0.932 5.994 -2.349 1.00 0.41 H new ATOM 0 HB1 ALA B 48 -1.542 3.932 -1.147 1.00 0.49 H new ATOM 0 HB2 ALA B 48 -2.950 4.993 -1.387 1.00 0.49 H new ATOM 0 HB3 ALA B 48 -2.736 3.553 -2.410 1.00 0.49 H new ATOM 1909 N LYS B 49 -0.793 3.539 -4.522 1.00 0.39 N ATOM 1910 CA LYS B 49 0.130 2.693 -5.249 1.00 0.40 C ATOM 1911 C LYS B 49 0.964 3.551 -6.184 1.00 0.44 C ATOM 1912 O LYS B 49 2.086 3.207 -6.535 1.00 0.53 O ATOM 1913 CB LYS B 49 -0.639 1.629 -6.020 1.00 0.38 C ATOM 1914 CG LYS B 49 -1.573 0.823 -5.136 1.00 0.32 C ATOM 1915 CD LYS B 49 -2.242 -0.285 -5.911 1.00 0.31 C ATOM 1916 CE LYS B 49 -3.291 0.259 -6.861 1.00 0.35 C ATOM 1917 NZ LYS B 49 -4.375 0.970 -6.142 1.00 0.93 N ATOM 0 H LYS B 49 -1.765 3.469 -4.824 1.00 0.39 H new ATOM 0 HA LYS B 49 0.797 2.186 -4.552 1.00 0.40 H new ATOM 0 HB2 LYS B 49 -1.217 2.106 -6.811 1.00 0.38 H new ATOM 0 HB3 LYS B 49 0.068 0.955 -6.504 1.00 0.38 H new ATOM 0 HG2 LYS B 49 -1.013 0.400 -4.302 1.00 0.32 H new ATOM 0 HG3 LYS B 49 -2.331 1.480 -4.710 1.00 0.32 H new ATOM 0 HD2 LYS B 49 -1.492 -0.841 -6.474 1.00 0.31 H new ATOM 0 HD3 LYS B 49 -2.706 -0.987 -5.218 1.00 0.31 H new ATOM 0 HE2 LYS B 49 -2.820 0.939 -7.571 1.00 0.35 H new ATOM 0 HE3 LYS B 49 -3.717 -0.561 -7.440 1.00 0.35 H new ATOM 0 HZ1 LYS B 49 -5.129 1.222 -6.812 1.00 0.93 H new ATOM 0 HZ2 LYS B 49 -4.763 0.352 -5.401 1.00 0.93 H new ATOM 0 HZ3 LYS B 49 -3.994 1.835 -5.708 1.00 0.93 H new ATOM 1931 N LEU B 50 0.389 4.681 -6.568 1.00 0.40 N ATOM 1932 CA LEU B 50 1.086 5.681 -7.359 1.00 0.45 C ATOM 1933 C LEU B 50 2.215 6.331 -6.553 1.00 0.39 C ATOM 1934 O LEU B 50 3.312 6.544 -7.066 1.00 0.41 O ATOM 1935 CB LEU B 50 0.086 6.737 -7.836 1.00 0.54 C ATOM 1936 CG LEU B 50 -0.844 6.284 -8.963 1.00 1.03 C ATOM 1937 CD1 LEU B 50 -1.639 7.463 -9.499 1.00 2.10 C ATOM 1938 CD2 LEU B 50 -0.056 5.613 -10.077 1.00 0.71 C ATOM 0 H LEU B 50 -0.574 4.929 -6.340 1.00 0.40 H new ATOM 0 HA LEU B 50 1.537 5.195 -8.224 1.00 0.45 H new ATOM 0 HB2 LEU B 50 -0.522 7.050 -6.987 1.00 0.54 H new ATOM 0 HB3 LEU B 50 0.639 7.614 -8.172 1.00 0.54 H new ATOM 0 HG LEU B 50 -1.544 5.552 -8.559 1.00 1.03 H new ATOM 0 HD11 LEU B 50 -2.296 7.125 -10.300 1.00 2.10 H new ATOM 0 HD12 LEU B 50 -2.238 7.893 -8.696 1.00 2.10 H new ATOM 0 HD13 LEU B 50 -0.954 8.218 -9.886 1.00 2.10 H new ATOM 0 HD21 LEU B 50 -0.738 5.299 -10.867 1.00 0.71 H new ATOM 0 HD22 LEU B 50 0.671 6.316 -10.483 1.00 0.71 H new ATOM 0 HD23 LEU B 50 0.465 4.742 -9.680 1.00 0.71 H new ATOM 1950 N THR B 51 1.943 6.628 -5.286 1.00 0.36 N ATOM 1951 CA THR B 51 2.923 7.275 -4.422 1.00 0.36 C ATOM 1952 C THR B 51 3.974 6.284 -3.944 1.00 0.33 C ATOM 1953 O THR B 51 5.147 6.624 -3.827 1.00 0.35 O ATOM 1954 CB THR B 51 2.257 7.932 -3.198 1.00 0.39 C ATOM 1955 OG1 THR B 51 1.479 6.972 -2.478 1.00 0.46 O ATOM 1956 CG2 THR B 51 1.367 9.083 -3.621 1.00 0.42 C ATOM 0 H THR B 51 1.050 6.430 -4.835 1.00 0.36 H new ATOM 0 HA THR B 51 3.403 8.050 -5.020 1.00 0.36 H new ATOM 0 HB THR B 51 3.048 8.315 -2.553 1.00 0.39 H new ATOM 0 HG1 THR B 51 1.411 6.147 -3.002 1.00 0.46 H new ATOM 0 HG21 THR B 51 0.908 9.531 -2.740 1.00 0.42 H new ATOM 0 HG22 THR B 51 1.964 9.833 -4.140 1.00 0.42 H new ATOM 0 HG23 THR B 51 0.588 8.714 -4.288 1.00 0.42 H new ATOM 1964 N VAL B 52 3.546 5.062 -3.664 1.00 0.30 N ATOM 1965 CA VAL B 52 4.455 4.007 -3.249 1.00 0.28 C ATOM 1966 C VAL B 52 5.297 3.546 -4.430 1.00 0.28 C ATOM 1967 O VAL B 52 6.497 3.301 -4.297 1.00 0.29 O ATOM 1968 CB VAL B 52 3.679 2.824 -2.629 1.00 0.29 C ATOM 1969 CG1 VAL B 52 4.606 1.677 -2.291 1.00 0.31 C ATOM 1970 CG2 VAL B 52 2.934 3.275 -1.383 1.00 0.33 C ATOM 0 H VAL B 52 2.568 4.777 -3.718 1.00 0.30 H new ATOM 0 HA VAL B 52 5.121 4.404 -2.483 1.00 0.28 H new ATOM 0 HB VAL B 52 2.959 2.473 -3.368 1.00 0.29 H new ATOM 0 HG11 VAL B 52 4.030 0.860 -1.856 1.00 0.31 H new ATOM 0 HG12 VAL B 52 5.101 1.330 -3.198 1.00 0.31 H new ATOM 0 HG13 VAL B 52 5.355 2.014 -1.575 1.00 0.31 H new ATOM 0 HG21 VAL B 52 2.392 2.430 -0.957 1.00 0.33 H new ATOM 0 HG22 VAL B 52 3.646 3.655 -0.651 1.00 0.33 H new ATOM 0 HG23 VAL B 52 2.229 4.063 -1.646 1.00 0.33 H new ATOM 1980 N GLY B 53 4.657 3.448 -5.584 1.00 0.35 N ATOM 1981 CA GLY B 53 5.378 3.200 -6.816 1.00 0.43 C ATOM 1982 C GLY B 53 6.450 4.248 -7.033 1.00 0.39 C ATOM 1983 O GLY B 53 7.576 3.937 -7.428 1.00 0.39 O ATOM 0 H GLY B 53 3.646 3.536 -5.691 1.00 0.35 H new ATOM 0 HA2 GLY B 53 5.833 2.210 -6.783 1.00 0.43 H new ATOM 0 HA3 GLY B 53 4.684 3.204 -7.656 1.00 0.43 H new ATOM 1987 N ARG B 54 6.102 5.492 -6.739 1.00 0.39 N ATOM 1988 CA ARG B 54 7.033 6.600 -6.863 1.00 0.38 C ATOM 1989 C ARG B 54 8.042 6.628 -5.731 1.00 0.30 C ATOM 1990 O ARG B 54 9.121 7.194 -5.876 1.00 0.29 O ATOM 1991 CB ARG B 54 6.283 7.918 -6.927 1.00 0.50 C ATOM 1992 CG ARG B 54 6.257 8.513 -8.317 1.00 1.18 C ATOM 1993 CD ARG B 54 5.031 9.387 -8.511 1.00 1.37 C ATOM 1994 NE ARG B 54 5.002 10.026 -9.823 1.00 1.71 N ATOM 1995 CZ ARG B 54 3.906 10.555 -10.369 1.00 2.21 C ATOM 1996 NH1 ARG B 54 2.749 10.521 -9.718 1.00 2.36 N ATOM 1997 NH2 ARG B 54 3.962 11.129 -11.561 1.00 2.84 N ATOM 0 H ARG B 54 5.174 5.759 -6.411 1.00 0.39 H new ATOM 0 HA ARG B 54 7.585 6.454 -7.791 1.00 0.38 H new ATOM 0 HB2 ARG B 54 5.260 7.765 -6.583 1.00 0.50 H new ATOM 0 HB3 ARG B 54 6.747 8.628 -6.242 1.00 0.50 H new ATOM 0 HG2 ARG B 54 7.159 9.103 -8.481 1.00 1.18 H new ATOM 0 HG3 ARG B 54 6.260 7.714 -9.059 1.00 1.18 H new ATOM 0 HD2 ARG B 54 4.133 8.781 -8.386 1.00 1.37 H new ATOM 0 HD3 ARG B 54 5.009 10.154 -7.736 1.00 1.37 H new ATOM 0 HE ARG B 54 5.872 10.071 -10.354 1.00 1.71 H new ATOM 0 HH11 ARG B 54 2.695 10.089 -8.796 1.00 2.36 H new ATOM 0 HH12 ARG B 54 1.914 10.927 -10.140 1.00 2.36 H new ATOM 0 HH21 ARG B 54 4.847 11.168 -12.067 1.00 2.84 H new ATOM 0 HH22 ARG B 54 3.120 11.532 -11.973 1.00 2.84 H new ATOM 2011 N MET B 55 7.696 6.025 -4.609 1.00 0.30 N ATOM 2012 CA MET B 55 8.621 5.931 -3.496 1.00 0.29 C ATOM 2013 C MET B 55 9.767 5.021 -3.905 1.00 0.25 C ATOM 2014 O MET B 55 10.939 5.359 -3.743 1.00 0.26 O ATOM 2015 CB MET B 55 7.921 5.398 -2.243 1.00 0.31 C ATOM 2016 CG MET B 55 8.515 5.938 -0.952 1.00 0.33 C ATOM 2017 SD MET B 55 10.235 5.475 -0.717 1.00 0.76 S ATOM 2018 CE MET B 55 10.939 7.042 -0.217 1.00 0.39 C ATOM 0 H MET B 55 6.786 5.595 -4.445 1.00 0.30 H new ATOM 0 HA MET B 55 9.004 6.922 -3.251 1.00 0.29 H new ATOM 0 HB2 MET B 55 6.864 5.659 -2.286 1.00 0.31 H new ATOM 0 HB3 MET B 55 7.981 4.310 -2.236 1.00 0.31 H new ATOM 0 HG2 MET B 55 8.434 7.025 -0.949 1.00 0.33 H new ATOM 0 HG3 MET B 55 7.929 5.573 -0.109 1.00 0.33 H new ATOM 0 HE1 MET B 55 12.006 6.919 -0.033 1.00 0.39 H new ATOM 0 HE2 MET B 55 10.789 7.777 -1.008 1.00 0.39 H new ATOM 0 HE3 MET B 55 10.451 7.386 0.695 1.00 0.39 H new ATOM 2028 N VAL B 56 9.412 3.884 -4.494 1.00 0.25 N ATOM 2029 CA VAL B 56 10.398 2.980 -5.064 1.00 0.25 C ATOM 2030 C VAL B 56 11.191 3.702 -6.152 1.00 0.23 C ATOM 2031 O VAL B 56 12.404 3.531 -6.277 1.00 0.23 O ATOM 2032 CB VAL B 56 9.729 1.721 -5.657 1.00 0.31 C ATOM 2033 CG1 VAL B 56 10.768 0.772 -6.229 1.00 0.35 C ATOM 2034 CG2 VAL B 56 8.885 1.018 -4.604 1.00 0.34 C ATOM 0 H VAL B 56 8.447 3.568 -4.588 1.00 0.25 H new ATOM 0 HA VAL B 56 11.069 2.664 -4.266 1.00 0.25 H new ATOM 0 HB VAL B 56 9.075 2.036 -6.470 1.00 0.31 H new ATOM 0 HG11 VAL B 56 10.271 -0.107 -6.640 1.00 0.35 H new ATOM 0 HG12 VAL B 56 11.326 1.276 -7.018 1.00 0.35 H new ATOM 0 HG13 VAL B 56 11.454 0.465 -5.439 1.00 0.35 H new ATOM 0 HG21 VAL B 56 8.422 0.133 -5.040 1.00 0.34 H new ATOM 0 HG22 VAL B 56 9.519 0.721 -3.769 1.00 0.34 H new ATOM 0 HG23 VAL B 56 8.109 1.696 -4.248 1.00 0.34 H new ATOM 2044 N THR B 57 10.493 4.537 -6.915 1.00 0.24 N ATOM 2045 CA THR B 57 11.124 5.349 -7.946 1.00 0.27 C ATOM 2046 C THR B 57 12.153 6.301 -7.325 1.00 0.26 C ATOM 2047 O THR B 57 13.193 6.588 -7.922 1.00 0.30 O ATOM 2048 CB THR B 57 10.077 6.156 -8.735 1.00 0.34 C ATOM 2049 OG1 THR B 57 9.044 5.280 -9.214 1.00 0.37 O ATOM 2050 CG2 THR B 57 10.714 6.871 -9.914 1.00 0.43 C ATOM 0 H THR B 57 9.485 4.668 -6.837 1.00 0.24 H new ATOM 0 HA THR B 57 11.632 4.675 -8.635 1.00 0.27 H new ATOM 0 HB THR B 57 9.650 6.901 -8.064 1.00 0.34 H new ATOM 0 HG1 THR B 57 8.563 4.894 -8.452 1.00 0.37 H new ATOM 0 HG21 THR B 57 9.952 7.433 -10.454 1.00 0.43 H new ATOM 0 HG22 THR B 57 11.482 7.555 -9.553 1.00 0.43 H new ATOM 0 HG23 THR B 57 11.166 6.138 -10.583 1.00 0.43 H new ATOM 2058 N SER B 58 11.858 6.771 -6.116 1.00 0.31 N ATOM 2059 CA SER B 58 12.743 7.676 -5.400 1.00 0.37 C ATOM 2060 C SER B 58 14.063 6.988 -5.056 1.00 0.30 C ATOM 2061 O SER B 58 15.118 7.599 -5.130 1.00 0.38 O ATOM 2062 CB SER B 58 12.063 8.198 -4.128 1.00 0.49 C ATOM 2063 OG SER B 58 12.861 9.175 -3.480 1.00 1.23 O ATOM 0 H SER B 58 11.004 6.535 -5.610 1.00 0.31 H new ATOM 0 HA SER B 58 12.960 8.523 -6.050 1.00 0.37 H new ATOM 0 HB2 SER B 58 11.094 8.627 -4.381 1.00 0.49 H new ATOM 0 HB3 SER B 58 11.876 7.368 -3.447 1.00 0.49 H new ATOM 0 HG SER B 58 12.402 9.490 -2.674 1.00 1.23 H new ATOM 2069 N LEU B 59 14.014 5.719 -4.679 1.00 0.24 N ATOM 2070 CA LEU B 59 15.247 4.975 -4.436 1.00 0.25 C ATOM 2071 C LEU B 59 15.951 4.671 -5.754 1.00 0.21 C ATOM 2072 O LEU B 59 17.179 4.608 -5.821 1.00 0.27 O ATOM 2073 CB LEU B 59 14.985 3.664 -3.677 1.00 0.37 C ATOM 2074 CG LEU B 59 14.560 3.800 -2.209 1.00 0.37 C ATOM 2075 CD1 LEU B 59 15.333 4.913 -1.521 1.00 1.38 C ATOM 2076 CD2 LEU B 59 13.064 4.025 -2.089 1.00 1.37 C ATOM 0 H LEU B 59 13.154 5.189 -4.536 1.00 0.24 H new ATOM 0 HA LEU B 59 15.886 5.602 -3.815 1.00 0.25 H new ATOM 0 HB2 LEU B 59 14.210 3.111 -4.207 1.00 0.37 H new ATOM 0 HB3 LEU B 59 15.891 3.059 -3.716 1.00 0.37 H new ATOM 0 HG LEU B 59 14.797 2.863 -1.706 1.00 0.37 H new ATOM 0 HD11 LEU B 59 15.014 4.989 -0.482 1.00 1.38 H new ATOM 0 HD12 LEU B 59 16.400 4.692 -1.557 1.00 1.38 H new ATOM 0 HD13 LEU B 59 15.141 5.858 -2.030 1.00 1.38 H new ATOM 0 HD21 LEU B 59 12.793 4.117 -1.037 1.00 1.37 H new ATOM 0 HD22 LEU B 59 12.790 4.939 -2.616 1.00 1.37 H new ATOM 0 HD23 LEU B 59 12.533 3.180 -2.528 1.00 1.37 H new ATOM 2088 N LEU B 60 15.162 4.507 -6.804 1.00 0.19 N ATOM 2089 CA LEU B 60 15.678 4.104 -8.106 1.00 0.24 C ATOM 2090 C LEU B 60 16.345 5.258 -8.859 1.00 0.27 C ATOM 2091 O LEU B 60 16.938 5.047 -9.917 1.00 0.32 O ATOM 2092 CB LEU B 60 14.547 3.505 -8.949 1.00 0.26 C ATOM 2093 CG LEU B 60 14.547 1.977 -9.068 1.00 0.46 C ATOM 2094 CD1 LEU B 60 15.787 1.499 -9.807 1.00 1.29 C ATOM 2095 CD2 LEU B 60 14.467 1.333 -7.692 1.00 0.57 C ATOM 0 H LEU B 60 14.152 4.648 -6.780 1.00 0.19 H new ATOM 0 HA LEU B 60 16.449 3.353 -7.932 1.00 0.24 H new ATOM 0 HB2 LEU B 60 13.595 3.818 -8.521 1.00 0.26 H new ATOM 0 HB3 LEU B 60 14.601 3.930 -9.951 1.00 0.26 H new ATOM 0 HG LEU B 60 13.668 1.678 -9.639 1.00 0.46 H new ATOM 0 HD11 LEU B 60 15.769 0.412 -9.882 1.00 1.29 H new ATOM 0 HD12 LEU B 60 15.804 1.931 -10.807 1.00 1.29 H new ATOM 0 HD13 LEU B 60 16.678 1.811 -9.262 1.00 1.29 H new ATOM 0 HD21 LEU B 60 14.468 0.248 -7.797 1.00 0.57 H new ATOM 0 HD22 LEU B 60 15.326 1.641 -7.096 1.00 0.57 H new ATOM 0 HD23 LEU B 60 13.549 1.648 -7.196 1.00 0.57 H new ATOM 2107 N GLU B 61 16.262 6.469 -8.321 1.00 0.27 N ATOM 2108 CA GLU B 61 16.914 7.617 -8.949 1.00 0.33 C ATOM 2109 C GLU B 61 18.275 7.889 -8.313 1.00 0.36 C ATOM 2110 O GLU B 61 18.784 9.012 -8.357 1.00 0.43 O ATOM 2111 CB GLU B 61 16.035 8.872 -8.885 1.00 0.37 C ATOM 2112 CG GLU B 61 15.366 9.085 -7.544 1.00 1.02 C ATOM 2113 CD GLU B 61 15.315 10.538 -7.126 1.00 2.03 C ATOM 2114 OE1 GLU B 61 15.255 11.417 -8.010 1.00 2.79 O ATOM 2115 OE2 GLU B 61 15.346 10.810 -5.905 1.00 2.59 O ATOM 0 H GLU B 61 15.756 6.683 -7.461 1.00 0.27 H new ATOM 0 HA GLU B 61 17.065 7.367 -9.999 1.00 0.33 H new ATOM 0 HB2 GLU B 61 16.646 9.744 -9.117 1.00 0.37 H new ATOM 0 HB3 GLU B 61 15.268 8.806 -9.656 1.00 0.37 H new ATOM 0 HG2 GLU B 61 14.351 8.690 -7.585 1.00 1.02 H new ATOM 0 HG3 GLU B 61 15.900 8.514 -6.784 1.00 1.02 H new ATOM 2122 N LYS B 62 18.855 6.856 -7.715 1.00 0.36 N ATOM 2123 CA LYS B 62 20.210 6.931 -7.185 1.00 0.40 C ATOM 2124 C LYS B 62 20.859 5.555 -7.179 1.00 0.35 C ATOM 2125 O LYS B 62 20.517 4.687 -6.375 1.00 0.30 O ATOM 2126 CB LYS B 62 20.266 7.566 -5.792 1.00 0.48 C ATOM 2127 CG LYS B 62 19.109 7.221 -4.880 1.00 0.51 C ATOM 2128 CD LYS B 62 18.196 8.417 -4.715 1.00 0.76 C ATOM 2129 CE LYS B 62 17.348 8.308 -3.462 1.00 0.83 C ATOM 2130 NZ LYS B 62 16.484 9.504 -3.273 1.00 0.91 N ATOM 0 H LYS B 62 18.404 5.950 -7.585 1.00 0.36 H new ATOM 0 HA LYS B 62 20.774 7.585 -7.849 1.00 0.40 H new ATOM 0 HB2 LYS B 62 21.193 7.260 -5.308 1.00 0.48 H new ATOM 0 HB3 LYS B 62 20.308 8.649 -5.905 1.00 0.48 H new ATOM 0 HG2 LYS B 62 18.549 6.382 -5.293 1.00 0.51 H new ATOM 0 HG3 LYS B 62 19.486 6.905 -3.907 1.00 0.51 H new ATOM 0 HD2 LYS B 62 18.794 9.328 -4.672 1.00 0.76 H new ATOM 0 HD3 LYS B 62 17.547 8.503 -5.587 1.00 0.76 H new ATOM 0 HE2 LYS B 62 16.725 7.416 -3.521 1.00 0.83 H new ATOM 0 HE3 LYS B 62 17.996 8.187 -2.594 1.00 0.83 H new ATOM 0 HZ1 LYS B 62 15.662 9.250 -2.689 1.00 0.91 H new ATOM 0 HZ2 LYS B 62 17.027 10.253 -2.799 1.00 0.91 H new ATOM 0 HZ3 LYS B 62 16.157 9.846 -4.199 1.00 0.91 H new ATOM 2144 N PRO B 63 21.808 5.358 -8.107 1.00 0.46 N ATOM 2145 CA PRO B 63 22.490 4.074 -8.331 1.00 0.48 C ATOM 2146 C PRO B 63 23.079 3.458 -7.065 1.00 0.41 C ATOM 2147 O PRO B 63 23.071 2.239 -6.913 1.00 0.40 O ATOM 2148 CB PRO B 63 23.608 4.438 -9.308 1.00 0.59 C ATOM 2149 CG PRO B 63 23.094 5.627 -10.037 1.00 0.94 C ATOM 2150 CD PRO B 63 22.287 6.399 -9.035 1.00 0.65 C ATOM 0 HA PRO B 63 21.793 3.320 -8.696 1.00 0.48 H new ATOM 0 HB2 PRO B 63 24.536 4.665 -8.783 1.00 0.59 H new ATOM 0 HB3 PRO B 63 23.822 3.616 -9.991 1.00 0.59 H new ATOM 0 HG2 PRO B 63 23.913 6.230 -10.429 1.00 0.94 H new ATOM 0 HG3 PRO B 63 22.481 5.330 -10.888 1.00 0.94 H new ATOM 0 HD2 PRO B 63 22.892 7.147 -8.522 1.00 0.65 H new ATOM 0 HD3 PRO B 63 21.459 6.928 -9.507 1.00 0.65 H new ATOM 2158 N SER B 64 23.587 4.292 -6.161 1.00 0.40 N ATOM 2159 CA SER B 64 24.170 3.796 -4.917 1.00 0.37 C ATOM 2160 C SER B 64 23.116 3.043 -4.106 1.00 0.34 C ATOM 2161 O SER B 64 23.324 1.901 -3.696 1.00 0.38 O ATOM 2162 CB SER B 64 24.734 4.957 -4.097 1.00 0.39 C ATOM 2163 OG SER B 64 25.551 5.796 -4.901 1.00 1.25 O ATOM 0 H SER B 64 23.607 5.307 -6.265 1.00 0.40 H new ATOM 0 HA SER B 64 24.983 3.112 -5.160 1.00 0.37 H new ATOM 0 HB2 SER B 64 23.916 5.539 -3.672 1.00 0.39 H new ATOM 0 HB3 SER B 64 25.316 4.568 -3.262 1.00 0.39 H new ATOM 0 HG SER B 64 25.899 6.532 -4.356 1.00 1.25 H new ATOM 2169 N VAL B 65 21.974 3.691 -3.912 1.00 0.30 N ATOM 2170 CA VAL B 65 20.851 3.094 -3.204 1.00 0.30 C ATOM 2171 C VAL B 65 20.377 1.828 -3.904 1.00 0.29 C ATOM 2172 O VAL B 65 20.148 0.800 -3.262 1.00 0.30 O ATOM 2173 CB VAL B 65 19.688 4.098 -3.101 1.00 0.31 C ATOM 2174 CG1 VAL B 65 18.436 3.438 -2.559 1.00 0.38 C ATOM 2175 CG2 VAL B 65 20.088 5.270 -2.226 1.00 0.33 C ATOM 0 H VAL B 65 21.802 4.641 -4.240 1.00 0.30 H new ATOM 0 HA VAL B 65 21.188 2.831 -2.201 1.00 0.30 H new ATOM 0 HB VAL B 65 19.465 4.462 -4.104 1.00 0.31 H new ATOM 0 HG11 VAL B 65 17.634 4.174 -2.499 1.00 0.38 H new ATOM 0 HG12 VAL B 65 18.136 2.627 -3.223 1.00 0.38 H new ATOM 0 HG13 VAL B 65 18.637 3.038 -1.565 1.00 0.38 H new ATOM 0 HG21 VAL B 65 19.259 5.974 -2.160 1.00 0.33 H new ATOM 0 HG22 VAL B 65 20.339 4.910 -1.228 1.00 0.33 H new ATOM 0 HG23 VAL B 65 20.954 5.769 -2.660 1.00 0.33 H new ATOM 2185 N VAL B 66 20.260 1.906 -5.227 1.00 0.29 N ATOM 2186 CA VAL B 66 19.835 0.766 -6.028 1.00 0.30 C ATOM 2187 C VAL B 66 20.766 -0.418 -5.800 1.00 0.30 C ATOM 2188 O VAL B 66 20.314 -1.514 -5.470 1.00 0.30 O ATOM 2189 CB VAL B 66 19.808 1.109 -7.536 1.00 0.32 C ATOM 2190 CG1 VAL B 66 19.355 -0.092 -8.356 1.00 0.35 C ATOM 2191 CG2 VAL B 66 18.906 2.307 -7.797 1.00 0.34 C ATOM 0 H VAL B 66 20.455 2.750 -5.766 1.00 0.29 H new ATOM 0 HA VAL B 66 18.824 0.507 -5.714 1.00 0.30 H new ATOM 0 HB VAL B 66 20.821 1.368 -7.844 1.00 0.32 H new ATOM 0 HG11 VAL B 66 19.344 0.173 -9.413 1.00 0.35 H new ATOM 0 HG12 VAL B 66 20.044 -0.922 -8.197 1.00 0.35 H new ATOM 0 HG13 VAL B 66 18.353 -0.388 -8.045 1.00 0.35 H new ATOM 0 HG21 VAL B 66 18.900 2.533 -8.863 1.00 0.34 H new ATOM 0 HG22 VAL B 66 17.892 2.077 -7.469 1.00 0.34 H new ATOM 0 HG23 VAL B 66 19.279 3.170 -7.246 1.00 0.34 H new ATOM 2201 N ALA B 67 22.068 -0.171 -5.936 1.00 0.33 N ATOM 2202 CA ALA B 67 23.074 -1.213 -5.777 1.00 0.35 C ATOM 2203 C ALA B 67 23.020 -1.835 -4.390 1.00 0.32 C ATOM 2204 O ALA B 67 23.175 -3.041 -4.244 1.00 0.34 O ATOM 2205 CB ALA B 67 24.464 -0.667 -6.048 1.00 0.42 C ATOM 0 H ALA B 67 22.450 0.749 -6.157 1.00 0.33 H new ATOM 0 HA ALA B 67 22.852 -1.992 -6.507 1.00 0.35 H new ATOM 0 HB1 ALA B 67 25.198 -1.463 -5.923 1.00 0.42 H new ATOM 0 HB2 ALA B 67 24.512 -0.285 -7.068 1.00 0.42 H new ATOM 0 HB3 ALA B 67 24.681 0.140 -5.348 1.00 0.42 H new ATOM 2211 N TYR B 68 22.799 -1.012 -3.377 1.00 0.30 N ATOM 2212 CA TYR B 68 22.685 -1.502 -2.007 1.00 0.30 C ATOM 2213 C TYR B 68 21.475 -2.414 -1.832 1.00 0.30 C ATOM 2214 O TYR B 68 21.492 -3.329 -1.007 1.00 0.33 O ATOM 2215 CB TYR B 68 22.702 -0.357 -1.000 1.00 0.32 C ATOM 2216 CG TYR B 68 24.121 0.006 -0.621 1.00 0.51 C ATOM 2217 CD1 TYR B 68 24.827 -0.776 0.285 1.00 1.06 C ATOM 2218 CD2 TYR B 68 24.771 1.090 -1.198 1.00 1.31 C ATOM 2219 CE1 TYR B 68 26.136 -0.482 0.612 1.00 1.28 C ATOM 2220 CE2 TYR B 68 26.083 1.385 -0.881 1.00 1.54 C ATOM 2221 CZ TYR B 68 26.761 0.596 0.023 1.00 1.19 C ATOM 2222 OH TYR B 68 28.074 0.881 0.339 1.00 1.55 O ATOM 0 H TYR B 68 22.695 -0.002 -3.475 1.00 0.30 H new ATOM 0 HA TYR B 68 23.565 -2.113 -1.803 1.00 0.30 H new ATOM 0 HB2 TYR B 68 22.200 0.513 -1.424 1.00 0.32 H new ATOM 0 HB3 TYR B 68 22.145 -0.643 -0.108 1.00 0.32 H new ATOM 0 HD1 TYR B 68 24.344 -1.628 0.741 1.00 1.06 H new ATOM 0 HD2 TYR B 68 24.242 1.712 -1.905 1.00 1.31 H new ATOM 0 HE1 TYR B 68 26.667 -1.094 1.326 1.00 1.28 H new ATOM 0 HE2 TYR B 68 26.575 2.230 -1.340 1.00 1.54 H new ATOM 0 HH TYR B 68 28.367 1.671 -0.162 1.00 1.55 H new ATOM 2232 N LEU B 69 20.415 -2.147 -2.575 1.00 0.28 N ATOM 2233 CA LEU B 69 19.238 -3.006 -2.553 1.00 0.29 C ATOM 2234 C LEU B 69 19.520 -4.352 -3.219 1.00 0.31 C ATOM 2235 O LEU B 69 19.236 -5.400 -2.647 1.00 0.34 O ATOM 2236 CB LEU B 69 18.076 -2.303 -3.247 1.00 0.28 C ATOM 2237 CG LEU B 69 17.715 -0.962 -2.634 1.00 0.30 C ATOM 2238 CD1 LEU B 69 16.847 -0.142 -3.575 1.00 0.30 C ATOM 2239 CD2 LEU B 69 17.019 -1.155 -1.298 1.00 0.33 C ATOM 0 H LEU B 69 20.343 -1.345 -3.201 1.00 0.28 H new ATOM 0 HA LEU B 69 18.974 -3.200 -1.514 1.00 0.29 H new ATOM 0 HB2 LEU B 69 18.328 -2.155 -4.297 1.00 0.28 H new ATOM 0 HB3 LEU B 69 17.201 -2.952 -3.217 1.00 0.28 H new ATOM 0 HG LEU B 69 18.641 -0.411 -2.467 1.00 0.30 H new ATOM 0 HD11 LEU B 69 16.605 0.813 -3.108 1.00 0.30 H new ATOM 0 HD12 LEU B 69 17.386 0.036 -4.505 1.00 0.30 H new ATOM 0 HD13 LEU B 69 15.926 -0.686 -3.787 1.00 0.30 H new ATOM 0 HD21 LEU B 69 16.768 -0.182 -0.875 1.00 0.33 H new ATOM 0 HD22 LEU B 69 16.107 -1.734 -1.443 1.00 0.33 H new ATOM 0 HD23 LEU B 69 17.682 -1.688 -0.616 1.00 0.33 H new ATOM 2251 N GLU B 70 20.097 -4.329 -4.410 1.00 0.32 N ATOM 2252 CA GLU B 70 20.380 -5.570 -5.130 1.00 0.39 C ATOM 2253 C GLU B 70 21.556 -6.300 -4.526 1.00 0.44 C ATOM 2254 O GLU B 70 21.665 -7.523 -4.611 1.00 0.53 O ATOM 2255 CB GLU B 70 20.640 -5.303 -6.606 1.00 0.44 C ATOM 2256 CG GLU B 70 21.231 -3.935 -6.891 1.00 0.45 C ATOM 2257 CD GLU B 70 21.593 -3.746 -8.351 1.00 0.56 C ATOM 2258 OE1 GLU B 70 21.219 -4.607 -9.177 1.00 1.32 O ATOM 2259 OE2 GLU B 70 22.253 -2.734 -8.680 1.00 1.15 O ATOM 0 H GLU B 70 20.377 -3.478 -4.898 1.00 0.32 H new ATOM 0 HA GLU B 70 19.496 -6.202 -5.040 1.00 0.39 H new ATOM 0 HB2 GLU B 70 21.317 -6.067 -6.989 1.00 0.44 H new ATOM 0 HB3 GLU B 70 19.703 -5.404 -7.153 1.00 0.44 H new ATOM 0 HG2 GLU B 70 20.517 -3.167 -6.596 1.00 0.45 H new ATOM 0 HG3 GLU B 70 22.122 -3.794 -6.279 1.00 0.45 H new ATOM 2266 N GLY B 71 22.428 -5.539 -3.913 1.00 0.44 N ATOM 2267 CA GLY B 71 23.562 -6.103 -3.244 1.00 0.53 C ATOM 2268 C GLY B 71 24.807 -6.058 -4.095 1.00 0.65 C ATOM 2269 O GLY B 71 25.663 -6.934 -4.008 1.00 0.79 O ATOM 0 H GLY B 71 22.369 -4.522 -3.866 1.00 0.44 H new ATOM 0 HA2 GLY B 71 23.740 -5.562 -2.315 1.00 0.53 H new ATOM 0 HA3 GLY B 71 23.346 -7.137 -2.974 1.00 0.53 H new ATOM 2273 N LYS B 72 24.901 -5.031 -4.919 1.00 0.69 N ATOM 2274 CA LYS B 72 26.027 -4.876 -5.818 1.00 0.93 C ATOM 2275 C LYS B 72 27.083 -3.983 -5.185 1.00 1.13 C ATOM 2276 O LYS B 72 27.052 -2.756 -5.412 1.00 1.49 O ATOM 2277 CB LYS B 72 25.553 -4.295 -7.152 1.00 1.21 C ATOM 2278 CG LYS B 72 24.504 -5.147 -7.844 1.00 1.13 C ATOM 2279 CD LYS B 72 24.992 -6.565 -8.082 1.00 1.47 C ATOM 2280 CE LYS B 72 23.891 -7.436 -8.663 1.00 1.99 C ATOM 2281 NZ LYS B 72 24.358 -8.822 -8.914 1.00 2.58 N ATOM 2282 OXT LYS B 72 27.924 -4.507 -4.427 1.00 1.80 O ATOM 0 H LYS B 72 24.206 -4.288 -4.983 1.00 0.69 H new ATOM 0 HA LYS B 72 26.473 -5.853 -6.005 1.00 0.93 H new ATOM 0 HB2 LYS B 72 25.146 -3.299 -6.981 1.00 1.21 H new ATOM 0 HB3 LYS B 72 26.411 -4.179 -7.814 1.00 1.21 H new ATOM 0 HG2 LYS B 72 23.599 -5.172 -7.237 1.00 1.13 H new ATOM 0 HG3 LYS B 72 24.237 -4.690 -8.797 1.00 1.13 H new ATOM 0 HD2 LYS B 72 25.844 -6.550 -8.762 1.00 1.47 H new ATOM 0 HD3 LYS B 72 25.341 -6.994 -7.143 1.00 1.47 H new ATOM 0 HE2 LYS B 72 23.044 -7.457 -7.977 1.00 1.99 H new ATOM 0 HE3 LYS B 72 23.535 -6.998 -9.596 1.00 1.99 H new ATOM 0 HZ1 LYS B 72 23.578 -9.385 -9.310 1.00 2.58 H new ATOM 0 HZ2 LYS B 72 25.150 -8.805 -9.588 1.00 2.58 H new ATOM 0 HZ3 LYS B 72 24.674 -9.249 -8.020 1.00 2.58 H new